USER MOD reduce.3.24.130724 H: found=0, std=0, add=3106, rem=0, adj=111 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/PEPTIDE 20-SEP-11 4A1V TITLE CO-COMPLEX STRUCTURE OF NS3-4A PROTEASE WITH THE OPTIMIZED TITLE 2 INHIBITORY PEPTIDE CP5-46A-4D5E COMPND MOL_ID: 1; COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 1678-1690,1028-1206; COMPND 5 SYNONYM: NS4A, P8, HEPACIVIRIN, NS3P, P70; COMPND 6 EC: 3.4.21.98, 3.6.1.15, 3.6.4.13; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: FUSION PROTEIN OF 4A (1678-1690) WITH NS3 COMPND 9 (1028-1206); COMPND 0 MOL_ID: 2; COMPND 1 MOLECULE: CP5-46A-4D5E; COMPND 2 CHAIN: C, D; COMPND 3 OTHER_DETAILS: MUTATED G4D, R5E SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1B; SOURCE 3 ORGANISM_TAXID: 31647; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VARIANT: ROSETTA2; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET28C; SOURCE 0 OTHER_DETAILS: HCV REPLICON I389/NS3-3'UTR (AJ242654); SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630 KEYWDS HYDROLASE-PEPTIDE COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.SCHMELZ,J.KUEGLER,J.COLLINS,D.W.HEINZ REVDAT 2 21-NOV-12 4A1V 1 AUTHOR JRNL REVDAT 1 19-SEP-12 4A1V 0 JRNL AUTH J.KUGLER,S.SCHMELZ,J.GENTZSCH,S.HAID,E.POLLMANN, JRNL AUTH 2 J.VAN DEN HEUVEL,R.FRANKE,T.PIETSCHMANN,D.W.HEINZ,J.COLLINS JRNL TITL HIGH AFFINITY PEPTIDE INHIBITORS OF THE HEPATITIS C VIRUS JRNL TITL 2 NS3-4A PROTEASE REFRACTORY TO COMMON RESISTANT MUTANTS. JRNL REF J.BIOL.CHEM. V. 287 39224 2012 JRNL REFN ISSN 0021-9258 JRNL PMID 22965230 JRNL DOI 10.1074/JBC.M112.393843 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.6.0117 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 80.47 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.63 REMARK 3 NUMBER OF REFLECTIONS : 19595 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.18773 REMARK 3 R VALUE (WORKING SET) : 0.18498 REMARK 3 FREE R VALUE : 0.23899 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1034 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.200 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.257 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1395 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.92 REMARK 3 BIN R VALUE (WORKING SET) : 0.236 REMARK 3 BIN FREE R VALUE SET COUNT : 76 REMARK 3 BIN FREE R VALUE : 0.279 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3077 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 80 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.544 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.33 REMARK 3 B22 (A**2) : -0.33 REMARK 3 B33 (A**2) : 0.50 REMARK 3 B12 (A**2) : -0.17 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.280 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.215 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.144 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.559 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.925 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3141 ; 0.009 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4286 ; 1.360 ; 1.974 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 417 ; 6.578 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 110 ;27.287 ;22.364 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 483 ;14.038 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 26 ;14.051 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 504 ; 0.085 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2360 ; 0.006 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN REMARK 3 THE INPUT. U VALUES REFINED INDIVIDUALLY. REMARK 4 REMARK 4 4A1V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-SEP-11. REMARK 100 THE PDBE ID CODE IS EBI-49721. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-JUN-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : BESSY REMARK 200 BEAMLINE : 14.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91841 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD (MX-225) REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20629 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.20 REMARK 200 RESOLUTION RANGE LOW (A) : 80.50 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.7 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 4.4 REMARK 200 R MERGE (I) : 0.10 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.70 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.30 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : 4.4 REMARK 200 R MERGE FOR SHELL (I) : 0.59 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.70 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 1DXP REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES PH 6.0 OR 0.1 M REMARK 280 NA-CITRATE PH 5.1 AND 2.2M KCL, 5% ISOPROPANOL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.59000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 55.18000 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 41.38500 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 68.97500 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 13.79500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9120 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -28.2 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2110 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9130 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -21.7 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -2 REMARK 465 LYS A -1 REMARK 465 GLY A 0 REMARK 465 GLY A 1 REMARK 465 ARG A 180 REMARK 465 GLY A 181 REMARK 465 SER A 182 REMARK 465 HIS A 183 REMARK 465 HIS A 184 REMARK 465 HIS A 185 REMARK 465 HIS A 186 REMARK 465 HIS A 187 REMARK 465 HIS A 188 REMARK 465 GLY B -2 REMARK 465 LYS B -1 REMARK 465 GLY B 0 REMARK 465 THR B 98 REMARK 465 CYS B 99 REMARK 465 GLY B 100 REMARK 465 SER B 101 REMARK 465 GLY B 181 REMARK 465 SER B 182 REMARK 465 HIS B 183 REMARK 465 HIS B 184 REMARK 465 HIS B 185 REMARK 465 HIS B 186 REMARK 465 HIS B 187 REMARK 465 HIS B 188 REMARK 465 GLY C 1 REMARK 465 GLU C 2 REMARK 465 LEU C 3 REMARK 465 SER C 20 REMARK 465 GLY D 1 REMARK 465 GLU D 2 REMARK 465 LEU D 3 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 ARG B 180 CG CD NE CZ NH1 NH2 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 B 2011 O HOH B 2012 6555 2.11 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 PHE A 43 -165.84 -171.91 REMARK 500 PHE B 43 -171.09 -172.49 REMARK 500 ARG B 155 -50.35 -121.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1181 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A2024 O REMARK 620 2 SER A 61 OG 104.6 REMARK 620 N 1 REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: DSSP REMARK 700 THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS REMARK 700 BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY REMARK 700 A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS REMARK 700 ARE IDENTICAL. REMARK 700 REMARK 700 THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS REMARK 700 BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY REMARK 700 A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS REMARK 700 ARE IDENTICAL. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A1180 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1181 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B1181 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B1182 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1W3C RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 REMARK 900 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR REMARK 900 RELATED ID: 1DXP RELATED DB: PDB REMARK 900 INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. REMARK 900 THE CRYSTALSTRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES REMARK 900 RELATED ID: 1DY8 RELATED DB: PDB REMARK 900 INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. REMARK 900 THE CRYSTALSTRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES REMARK 900 (INHIBITOR II) REMARK 900 RELATED ID: 1DY9 RELATED DB: PDB REMARK 900 INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. REMARK 900 THE CRYSTALSTRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES REMARK 900 (INHIBITOR I) REMARK 900 RELATED ID: 4A1T RELATED DB: PDB REMARK 900 CO-COMPLEX OF THE OF NS3-4A PROTEASE WITH THE REMARK 900 INHIBITORY PEPTIDE CP5-46-A (IN-HOUSE DATA) REMARK 900 RELATED ID: 4A1X RELATED DB: PDB REMARK 900 CO-COMPLEX STRUCTURE OF NS3-4A PROTEASE WITH THE REMARK 900 INHIBITORY PEPTIDE CP5-46-A (SYNCHROTRON DATA) REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE DISCREPANCIES HAVE BEEN INDICATED BY AUTHOR AS REMARK 999 NATURAL VARIANTS, AS THE REPLICON WAS CONSTRUCTED FROM THE REMARK 999 CONSENSUS-GENOME OF HCV GENOTYPE 1B. DBREF 4A1V A -14 -2 UNP P26662 POLG_HCVJA 1678 1690 DBREF 4A1V A 2 180 UNP P26662 POLG_HCVJA 1028 1206 DBREF 4A1V B -14 -2 UNP P26662 POLG_HCVJA 1678 1690 DBREF 4A1V B 2 180 UNP P26662 POLG_HCVJA 1028 1206 DBREF 4A1V C 1 20 PDB 4A1V 4A1V 1 20 DBREF 4A1V D 1 20 PDB 4A1V 4A1V 1 20 SEQADV 4A1V LYS A -1 UNP P26662 LINKER SEQADV 4A1V GLY A 0 UNP P26662 LINKER SEQADV 4A1V GLY A 1 UNP P26662 LINKER SEQADV 4A1V GLY A 181 UNP P26662 EXPRESSION TAG SEQADV 4A1V SER A 182 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 183 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 184 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 185 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 186 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 187 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS A 188 UNP P26662 EXPRESSION TAG SEQADV 4A1V ARG A 26 UNP P26662 LYS 1052 SEE REMARK 999 SEQADV 4A1V GLU A 30 UNP P26662 ASP 1056 SEE REMARK 999 SEQADV 4A1V VAL A 36 UNP P26662 LEU 1062 SEE REMARK 999 SEQADV 4A1V GLN A 86 UNP P26662 PRO 1112 SEE REMARK 999 SEQADV 4A1V LEU A 94 UNP P26662 MET 1120 SEE REMARK 999 SEQADV 4A1V ILE A 114 UNP P26662 VAL 1140 VARIANT SEQADV 4A1V VAL A 132 UNP P26662 ILE 1158 VARIANT SEQADV 4A1V ALA A 150 UNP P26662 VAL 1176 SEE REMARK 999 SEQADV 4A1V VAL A 170 UNP P26662 ILE 1196 SEE REMARK 999 SEQADV 4A1V LYS B -1 UNP P26662 LINKER SEQADV 4A1V GLY B 0 UNP P26662 LINKER SEQADV 4A1V GLY B 1 UNP P26662 LINKER SEQADV 4A1V GLY B 181 UNP P26662 EXPRESSION TAG SEQADV 4A1V SER B 182 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 183 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 184 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 185 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 186 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 187 UNP P26662 EXPRESSION TAG SEQADV 4A1V HIS B 188 UNP P26662 EXPRESSION TAG SEQADV 4A1V ARG B 26 UNP P26662 LYS 1052 SEE REMARK 999 SEQADV 4A1V GLU B 30 UNP P26662 ASP 1056 SEE REMARK 999 SEQADV 4A1V VAL B 36 UNP P26662 LEU 1062 SEE REMARK 999 SEQADV 4A1V GLN B 86 UNP P26662 PRO 1112 SEE REMARK 999 SEQADV 4A1V LEU B 94 UNP P26662 MET 1120 SEE REMARK 999 SEQADV 4A1V ILE B 114 UNP P26662 VAL 1140 VARIANT SEQADV 4A1V VAL B 132 UNP P26662 ILE 1158 VARIANT SEQADV 4A1V ALA B 150 UNP P26662 VAL 1176 SEE REMARK 999 SEQADV 4A1V VAL B 170 UNP P26662 ILE 1196 SEE REMARK 999 SEQRES 1 A 203 GLY SER VAL VAL ILE VAL GLY ARG ILE ILE LEU SER GLY SEQRES 2 A 203 LYS GLY GLY PRO ILE THR ALA TYR SER GLN GLN THR ARG SEQRES 3 A 203 GLY LEU LEU GLY CYS ILE ILE THR SER LEU THR GLY ARG SEQRES 4 A 203 ASP ARG ASN GLN VAL GLU GLY GLU VAL GLN VAL VAL SER SEQRES 5 A 203 THR ALA THR GLN SER PHE LEU ALA THR CYS VAL ASN GLY SEQRES 6 A 203 VAL CYS TRP THR VAL TYR HIS GLY ALA GLY SER LYS THR SEQRES 7 A 203 LEU ALA GLY PRO LYS GLY PRO ILE THR GLN MET TYR THR SEQRES 8 A 203 ASN VAL ASP GLN ASP LEU VAL GLY TRP GLN ALA PRO PRO SEQRES 9 A 203 GLY ALA ARG SER LEU THR PRO CYS THR CYS GLY SER SER SEQRES 10 A 203 ASP LEU TYR LEU VAL THR ARG HIS ALA ASP VAL ILE PRO SEQRES 11 A 203 VAL ARG ARG ARG GLY ASP SER ARG GLY SER LEU LEU SER SEQRES 12 A 203 PRO ARG PRO VAL SER TYR LEU LYS GLY SER SER GLY GLY SEQRES 13 A 203 PRO LEU LEU CYS PRO SER GLY HIS ALA VAL GLY ILE PHE SEQRES 14 A 203 ARG ALA ALA VAL CYS THR ARG GLY VAL ALA LYS ALA VAL SEQRES 15 A 203 ASP PHE VAL PRO VAL GLU SER MET GLU THR THR MET ARG SEQRES 16 A 203 GLY SER HIS HIS HIS HIS HIS HIS SEQRES 1 B 203 GLY SER VAL VAL ILE VAL GLY ARG ILE ILE LEU SER GLY SEQRES 2 B 203 LYS GLY GLY PRO ILE THR ALA TYR SER GLN GLN THR ARG SEQRES 3 B 203 GLY LEU LEU GLY CYS ILE ILE THR SER LEU THR GLY ARG SEQRES 4 B 203 ASP ARG ASN GLN VAL GLU GLY GLU VAL GLN VAL VAL SER SEQRES 5 B 203 THR ALA THR GLN SER PHE LEU ALA THR CYS VAL ASN GLY SEQRES 6 B 203 VAL CYS TRP THR VAL TYR HIS GLY ALA GLY SER LYS THR SEQRES 7 B 203 LEU ALA GLY PRO LYS GLY PRO ILE THR GLN MET TYR THR SEQRES 8 B 203 ASN VAL ASP GLN ASP LEU VAL GLY TRP GLN ALA PRO PRO SEQRES 9 B 203 GLY ALA ARG SER LEU THR PRO CYS THR CYS GLY SER SER SEQRES 10 B 203 ASP LEU TYR LEU VAL THR ARG HIS ALA ASP VAL ILE PRO SEQRES 11 B 203 VAL ARG ARG ARG GLY ASP SER ARG GLY SER LEU LEU SER SEQRES 12 B 203 PRO ARG PRO VAL SER TYR LEU LYS GLY SER SER GLY GLY SEQRES 13 B 203 PRO LEU LEU CYS PRO SER GLY HIS ALA VAL GLY ILE PHE SEQRES 14 B 203 ARG ALA ALA VAL CYS THR ARG GLY VAL ALA LYS ALA VAL SEQRES 15 B 203 ASP PHE VAL PRO VAL GLU SER MET GLU THR THR MET ARG SEQRES 16 B 203 GLY SER HIS HIS HIS HIS HIS HIS SEQRES 1 C 20 GLY GLU LEU ASP GLU LEU VAL TYR LEU LEU ASP GLY PRO SEQRES 2 C 20 GLY TYR ASP PRO ILE HIS SER SEQRES 1 D 20 GLY GLU LEU ASP GLU LEU VAL TYR LEU LEU ASP GLY PRO SEQRES 2 D 20 GLY TYR ASP PRO ILE HIS SER HET CL A1180 1 HET K A1181 1 HET CL B1181 1 HET CL B1182 1 HETNAM CL CHLORIDE ION HETNAM K POTASSIUM ION FORMUL 5 CL 3(CL 1-) FORMUL 6 K K 1+ FORMUL 7 HOH *80(H2 O) HELIX 1 1 GLY A 12 GLY A 23 1 12 HELIX 2 2 TYR A 56 GLY A 60 1 5 HELIX 3 3 SER A 133 LYS A 136 5 4 HELIX 4 4 VAL A 172 MET A 179 1 8 HELIX 5 5 GLY B 12 GLY B 23 1 12 HELIX 6 6 TYR B 56 GLY B 60 1 5 HELIX 7 7 SER B 133 LYS B 136 5 4 HELIX 8 8 VAL B 172 MET B 179 1 8 SHEET 1 AA 7 ALA A 5 GLN A 9 0 SHEET 2 AA 7 VAL A -11 LEU A -4 -1 O ARG A -7 N GLN A 8 SHEET 3 AA 7 VAL A 33 SER A 37 -1 O VAL A 33 N ILE A -6 SHEET 4 AA 7 SER A 42 VAL A 48 -1 O PHE A 43 N VAL A 36 SHEET 5 AA 7 VAL A 51 VAL A 55 -1 O VAL A 51 N VAL A 48 SHEET 6 AA 7 LEU A 82 GLN A 86 -1 O VAL A 83 N THR A 54 SHEET 7 AA 7 TYR A 75 ASN A 77 -1 O TYR A 75 N GLY A 84 SHEET 1 AB 8 ASP A 103 VAL A 107 0 SHEET 2 AB 8 VAL A 113 ARG A 118 -1 O ILE A 114 N LEU A 106 SHEET 3 AB 8 ARG A 123 PRO A 131 -1 O SER A 125 N ARG A 117 SHEET 4 AB 8 VAL A 163 PRO A 171 -1 O ALA A 164 N ARG A 130 SHEET 5 AB 8 ALA A 150 THR A 160 1 O ILE A 153 N VAL A 170 SHEET 6 AB 8 PRO A 142 LEU A 144 -1 O LEU A 143 N VAL A 151 SHEET 7 AB 8 ASP A 103 VAL A 107 0 SHEET 1 BA 7 ALA B 5 GLN B 9 0 SHEET 2 BA 7 VAL B -11 LEU B -4 -1 O ARG B -7 N GLN B 8 SHEET 3 BA 7 VAL B 33 SER B 37 -1 O VAL B 33 N ILE B -6 SHEET 4 BA 7 SER B 42 VAL B 48 -1 O PHE B 43 N VAL B 36 SHEET 5 BA 7 VAL B 51 VAL B 55 -1 O VAL B 51 N VAL B 48 SHEET 6 BA 7 LEU B 82 GLN B 86 -1 O VAL B 83 N THR B 54 SHEET 7 BA 7 TYR B 75 ASN B 77 -1 O TYR B 75 N GLY B 84 SHEET 1 BB 8 ASP B 103 VAL B 107 0 SHEET 2 BB 8 VAL B 113 ARG B 118 -1 O ILE B 114 N LEU B 106 SHEET 3 BB 8 ARG B 123 PRO B 131 -1 O SER B 125 N ARG B 117 SHEET 4 BB 8 VAL B 163 PRO B 171 -1 O ALA B 164 N ARG B 130 SHEET 5 BB 8 ALA B 150 THR B 160 1 O ILE B 153 N VAL B 170 SHEET 6 BB 8 PRO B 142 LEU B 144 -1 O LEU B 143 N VAL B 151 SHEET 7 BB 8 ASP B 103 VAL B 107 0 SITE *** AC1 4 ARG A 11 GLY A 12 GLY A 15 PRO A 70 SITE *** AC2 2 SER A 61 HOH A2024 SITE *** AC3 4 GLY B -14 GLN B 9 GLY B 12 LEU B 13 SITE *** AC4 5 ARG B 11 GLY B 12 GLY B 15 PRO B 70 SITE *** AC4 5 HOH B2012 CRYST1 92.920 92.920 82.770 90.00 90.00 120.00 P 61 12 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 0.010762 0.006213 0.000000 0.00000 SCALE2 0.000000 0.012427 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012082 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 Set 1.1: A 7 SER OG : rot 134:sc= 2.4 USER MOD Set 1.2: C 15 TYR OH : rot -20:sc= 0.856 USER MOD Set 2.1: B 77 ASN : amide:sc= -2.89! C(o=-4.9!,f=-6.4!) USER MOD Set 2.2: B 80 GLN : amide:sc= -3.42! K(o=-4.9!,f=-3) USER MOD Set 2.3: B 174 SER OG : rot -117:sc= -0.0249 USER MOD Set 2.4: B 178 THR OG1 : rot 89:sc= 1.44 USER MOD Set 3.1: B 57 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.5!) USER MOD Set 3.2: B 139 SER OG : rot 160:sc= -0.0506 USER MOD Set 4.1: B 63 THR OG1 : rot 91:sc= 1.13 USER MOD Set 4.2: B -13 SER OG : rot 64:sc= 2.33 USER MOD Set 5.1: B 95 THR OG1 : rot 57:sc= 0.404 USER MOD Set 5.2: B 145 CYS SG : rot 180:sc= 0.0816 USER MOD Set 5.3: B 147 SER OG : rot -40:sc= 0.772 USER MOD Set 5.4: B 149 HIS : no HD1:sc= 0.0572 K(o=1.3,f=0.54) USER MOD Set 6.1: B 74 MET CE :methyl -167:sc= -0.0381 (180deg=-0.0256) USER MOD Set 6.2: B 86 GLN : amide:sc= -0.0813 K(o=-0.12,f=-1.8) USER MOD Set 7.1: B 73 GLN : amide:sc= 1.51 K(o=2.6,f=-0.27) USER MOD Set 7.2: B 76 THR OG1 : rot -83:sc= 1.11 USER MOD Set 8.1: B 47 CYS SG A: rot -140:sc= -0.0388 USER MOD Set 8.2: B 47 CYS SG B: rot 180:sc= 1.19 USER MOD Set 8.3: B 52 CYS SG B: rot 180:sc= -0.0674 USER MOD Set 8.4: B 93 SER OG : rot -18:sc= 2.21 USER MOD Set 9.1: B 38 THR OG1 : rot 171:sc= 1.16 USER MOD Set 9.2: B 40 THR OG1 : rot -67:sc= 0.68 USER MOD Set10.1: B 7 SER OG : rot -105:sc= 1.23 USER MOD Set10.2: D 15 TYR OH : rot 180:sc= 1.12 USER MOD Set11.1: B 4 THR OG1 : rot 180:sc= -1.07 USER MOD Set11.2: B -3 SER OG : rot 150:sc= 0.784 USER MOD Set12.1: A 77 ASN : amide:sc= 0.808 K(o=2.4,f=-0.69!) USER MOD Set12.2: A 178 THR OG1 : rot 74:sc= 1.54 USER MOD Set13.1: A 57 HIS : no HE2:sc= 0.88 K(o=0.66,f=-3.2!) USER MOD Set13.2: A 139 SER OG : rot 180:sc= -0.223 USER MOD Set14.1: A 108 THR OG1 : rot 180:sc= 0 USER MOD Set14.2: A 134 TYR OH : rot -2:sc= 0.172 USER MOD Set15.1: A 63 THR OG1 : rot 96:sc= 1.23 USER MOD Set15.2: A -13 SER OG : rot 79:sc= 2.3 USER MOD Set16.1: A 95 THR OG1 : rot 180:sc= -0.104 USER MOD Set16.2: A 97 CYS SG : rot -179:sc= 1.03 USER MOD Set16.3: A 99 CYS SG : rot -8:sc= 1.25 USER MOD Set16.4: A 145 CYS SG : rot 180:sc= -0.387 USER MOD Set16.5: A 147 SER OG : rot 107:sc= 1.14 USER MOD Set16.6: A 149 HIS : no HD1:sc= 0.981 K(o=3.9,f=1.9) USER MOD Set17.1: A 74 MET CE :methyl 169:sc= -0.151 (180deg=-0.393) USER MOD Set17.2: A 86 GLN : amide:sc= 0 K(o=-0.15,f=-2.5) USER MOD Set18.1: A 80 GLN : amide:sc= 0.0969 X(o=0.19,f=-0.073) USER MOD Set18.2: A 174 SER OG : rot -134:sc= 0.0977 USER MOD Set19.1: A 73 GLN : amide:sc= 1.34 K(o=2.5,f=-0.51) USER MOD Set19.2: A 76 THR OG1 : rot -81:sc= 1.21 USER MOD Set20.1: A 75 TYR OH : rot 165:sc= 0 USER MOD Set20.2: A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set21.1: A 47 CYS SG A: rot -130:sc= -0.192 USER MOD Set21.2: A 52 CYS SG B: rot 180:sc= 0 USER MOD Set22.1: A 47 CYS SG B: rot 180:sc= 0.55 USER MOD Set22.2: A 93 SER OG : rot -19:sc= 1.55 USER MOD Set23.1: A 38 THR OG1 : rot 179:sc= 1.22 USER MOD Set23.2: A 40 THR OG1 : rot -5:sc= 0.715 USER MOD Single : A 4 THR OG1 : rot -101:sc= -3.73! USER MOD Single : A 6 TYR OH : rot 175:sc= 1.16 USER MOD Single : A 8 GLN : amide:sc= 0.463 K(o=0.46,f=-4.4!) USER MOD Single : A 9 GLN : amide:sc= 1.32 K(o=1.3,f=-0.91) USER MOD Single : A -3 SER OG : rot 150:sc= 0.364 USER MOD Single : A 10 THR OG1 : rot 140:sc= 1.06 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 19 THR OG1 : rot 96:sc= 1.35 USER MOD Single : A 20 SER OG : rot 54:sc= 0.78 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 27 ASN : amide:sc= 0.287 K(o=0.29,f=-1.2!) USER MOD Single : A 28 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.8) USER MOD Single : A 34 GLN : amide:sc= 1.22 K(o=1.2,f=0.16) USER MOD Single : A 37 SER OG : rot -67:sc= 1.87 USER MOD Single : A 41 GLN : amide:sc= -0.178 K(o=-0.18,f=-2!) USER MOD Single : A 42 SER OG : rot -85:sc= 2.13 USER MOD Single : A 46 THR OG1 : rot 89:sc= 0.647 USER MOD Single : A 49 ASN : amide:sc= -0.0731 K(o=-0.073,f=-1.5) USER MOD Single : A 52 CYS SG A: rot 180:sc= -0.349 USER MOD Single : A 54 THR OG1 : rot 97:sc= 1.37 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 157:sc= 0.722 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A -14 GLY N :NH3+ -120:sc= 0.194 (180deg=0.00229) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 160:sc= 0.00741 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00937 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 71:sc= 1.92 USER MOD Single : A 159 CYS SG : rot 100:sc= 0 USER MOD Single : A 160 THR OG1 : rot 29:sc= 0.306 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 MET CE :methyl 146:sc= -1.1 (180deg=-2.76!) USER MOD Single : A 177 THR OG1 : rot 76:sc=0.000666 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.699 K(o=0.7,f=-5.7!) USER MOD Single : B 9 GLN : amide:sc= 0.274 K(o=0.27,f=-0.62) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 CYS SG : rot 180:sc= -0.0283 USER MOD Single : B 19 THR OG1 : rot 96:sc= 1.34 USER MOD Single : B 20 SER OG : rot 58:sc= 0.883 USER MOD Single : B 22 THR OG1 : rot -167:sc= 1.53 USER MOD Single : B 27 ASN : amide:sc= 0.31 K(o=0.31,f=-0.7!) USER MOD Single : B 28 GLN : amide:sc= -0.0933 K(o=-0.093,f=-0.75) USER MOD Single : B 34 GLN : amide:sc= 1.23 K(o=1.2,f=0.33) USER MOD Single : B 37 SER OG : rot -67:sc= 1.79 USER MOD Single : B 41 GLN : amide:sc= 0.301 K(o=0.3,f=-1.6!) USER MOD Single : B 42 SER OG : rot -100:sc= 1.76 USER MOD Single : B 46 THR OG1 : rot 79:sc= 0.731 USER MOD Single : B 49 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.2) USER MOD Single : B 52 CYS SG A: rot 180:sc= -0.635 USER MOD Single : B 54 THR OG1 : rot 94:sc= 1.35 USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 61 SER OG A: rot 180:sc= 0 USER MOD Single : B 61 SER OG B: rot 70:sc= 1.01 USER MOD Single : B 62 LYS NZ :NH3+ 153:sc= 0.638 (180deg=-0.00944) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 THR OG1 : rot 155:sc= 1.23 USER MOD Single : B 75 TYR OH : rot 180:sc= 0 USER MOD Single : B 97 CYS SG : rot 40:sc= 0.1 USER MOD Single : B -14 GLY N :NH3+ -162:sc= 0.781 (180deg=0.61) USER MOD Single : B 102 SER OG : rot 180:sc= -0.41 USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 125 SER OG : rot 180:sc= -0.043 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 180:sc= 0 USER MOD Single : B 134 TYR OH : rot 180:sc= -1.07 USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 SER OG : rot 54:sc= 1.57 USER MOD Single : B 159 CYS SG : rot 120:sc= -0.93 USER MOD Single : B 160 THR OG1 : rot 180:sc= 0 USER MOD Single : B 165 LYS NZ :NH3+ 134:sc= -0.119 (180deg=-0.366) USER MOD Single : B 175 MET CE :methyl 145:sc= -0.098 (180deg=-1.25) USER MOD Single : B 177 THR OG1 : rot 180:sc= 0 USER MOD Single : B 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 8 TYR OH : rot 180:sc= 0.657 USER MOD Single : C 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : D 8 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : D 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -14 6.904 15.817 -18.248 1.00 24.69 N ATOM 2 CA GLY A -14 7.309 14.608 -17.527 1.00 21.47 C ATOM 3 C GLY A -14 8.732 14.815 -17.059 1.00 22.10 C ATOM 4 O GLY A -14 9.349 15.836 -17.354 1.00 22.89 O ATOM 0 H1 GLY A -14 6.199 16.181 -17.845 1.00 24.69 H new ATOM 0 H2 GLY A -14 7.577 16.400 -18.252 1.00 24.69 H new ATOM 0 H3 GLY A -14 6.690 15.606 -19.086 1.00 24.69 H new ATOM 0 HA2 GLY A -14 6.721 14.448 -16.772 1.00 21.47 H new ATOM 0 HA3 GLY A -14 7.249 13.830 -18.104 1.00 21.47 H new ATOM 5 N SER A -13 9.255 13.835 -16.329 1.00 20.29 N ATOM 6 CA SER A -13 10.619 13.867 -15.910 1.00 18.74 C ATOM 7 C SER A -13 11.610 13.718 -17.071 1.00 18.79 C ATOM 8 O SER A -13 11.298 13.146 -18.150 1.00 18.29 O ATOM 9 CB SER A -13 10.837 12.778 -14.881 1.00 18.63 C ATOM 10 OG SER A -13 10.162 13.103 -13.665 1.00 19.02 O ATOM 0 H SER A -13 8.818 13.141 -16.071 1.00 20.29 H new ATOM 0 HA SER A -13 10.791 14.740 -15.524 1.00 18.74 H new ATOM 0 HB2 SER A -13 10.511 11.931 -15.223 1.00 18.63 H new ATOM 0 HB3 SER A -13 11.786 12.669 -14.712 1.00 18.63 H new ATOM 0 HG SER A -13 9.344 12.927 -13.743 1.00 19.02 H new ATOM 11 N VAL A -12 12.804 14.244 -16.827 1.00 16.87 N ATOM 12 CA VAL A -12 14.006 13.842 -17.545 1.00 16.92 C ATOM 13 C VAL A -12 14.381 12.396 -17.167 1.00 15.89 C ATOM 14 O VAL A -12 14.339 12.028 -15.997 1.00 16.85 O ATOM 15 CB VAL A -12 15.183 14.803 -17.243 1.00 16.58 C ATOM 16 CG1 VAL A -12 16.449 14.306 -17.936 1.00 16.17 C ATOM 17 CG2 VAL A -12 14.838 16.201 -17.763 1.00 15.96 C ATOM 0 H VAL A -12 12.940 14.851 -16.233 1.00 16.87 H new ATOM 0 HA VAL A -12 13.824 13.885 -18.497 1.00 16.92 H new ATOM 0 HB VAL A -12 15.334 14.835 -16.285 1.00 16.58 H new ATOM 0 HG11 VAL A -12 17.182 14.911 -17.744 1.00 16.17 H new ATOM 0 HG12 VAL A -12 16.669 13.419 -17.611 1.00 16.17 H new ATOM 0 HG13 VAL A -12 16.302 14.272 -18.894 1.00 16.17 H new ATOM 0 HG21 VAL A -12 15.572 16.806 -17.576 1.00 15.96 H new ATOM 0 HG22 VAL A -12 14.687 16.162 -18.720 1.00 15.96 H new ATOM 0 HG23 VAL A -12 14.035 16.521 -17.322 1.00 15.96 H new ATOM 18 N VAL A -11 14.706 11.585 -18.173 1.00 15.22 N ATOM 19 CA VAL A -11 14.956 10.158 -18.002 1.00 15.12 C ATOM 20 C VAL A -11 16.342 9.803 -18.522 1.00 15.47 C ATOM 21 O VAL A -11 16.710 10.202 -19.632 1.00 15.85 O ATOM 22 CB VAL A -11 13.933 9.313 -18.778 1.00 15.18 C ATOM 23 CG1 VAL A -11 14.119 7.841 -18.456 1.00 14.87 C ATOM 24 CG2 VAL A -11 12.500 9.744 -18.429 1.00 15.88 C ATOM 0 H VAL A -11 14.788 11.854 -18.986 1.00 15.22 H new ATOM 0 HA VAL A -11 14.884 9.966 -17.054 1.00 15.12 H new ATOM 0 HB VAL A -11 14.078 9.453 -19.727 1.00 15.18 H new ATOM 0 HG11 VAL A -11 13.469 7.317 -18.950 1.00 14.87 H new ATOM 0 HG12 VAL A -11 15.015 7.565 -18.707 1.00 14.87 H new ATOM 0 HG13 VAL A -11 13.992 7.699 -17.505 1.00 14.87 H new ATOM 0 HG21 VAL A -11 11.868 9.201 -18.927 1.00 15.88 H new ATOM 0 HG22 VAL A -11 12.349 9.625 -17.478 1.00 15.88 H new ATOM 0 HG23 VAL A -11 12.377 10.678 -18.661 1.00 15.88 H new ATOM 25 N ILE A -10 17.103 9.056 -17.734 1.00 14.87 N ATOM 26 CA ILE A -10 18.388 8.514 -18.213 1.00 15.74 C ATOM 27 C ILE A -10 18.118 7.365 -19.197 1.00 16.07 C ATOM 28 O ILE A -10 17.446 6.398 -18.842 1.00 16.48 O ATOM 29 CB ILE A -10 19.240 8.032 -17.028 1.00 15.91 C ATOM 30 CG1 ILE A -10 19.593 9.245 -16.138 1.00 16.29 C ATOM 31 CG2 ILE A -10 20.499 7.332 -17.531 1.00 17.59 C ATOM 32 CD1 ILE A -10 20.307 8.866 -14.853 1.00 16.16 C ATOM 0 H ILE A -10 16.904 8.847 -16.924 1.00 14.87 H new ATOM 0 HA ILE A -10 18.883 9.211 -18.671 1.00 15.74 H new ATOM 0 HB ILE A -10 18.739 7.390 -16.501 1.00 15.91 H new ATOM 0 HG12 ILE A -10 20.153 9.855 -16.643 1.00 16.29 H new ATOM 0 HG13 ILE A -10 18.778 9.724 -15.918 1.00 16.29 H new ATOM 0 HG21 ILE A -10 21.027 7.033 -16.775 1.00 17.59 H new ATOM 0 HG22 ILE A -10 20.250 6.567 -18.073 1.00 17.59 H new ATOM 0 HG23 ILE A -10 21.022 7.950 -18.066 1.00 17.59 H new ATOM 0 HD11 ILE A -10 20.500 9.667 -14.341 1.00 16.16 H new ATOM 0 HD12 ILE A -10 19.741 8.277 -14.330 1.00 16.16 H new ATOM 0 HD13 ILE A -10 21.137 8.411 -15.066 1.00 16.16 H new ATOM 33 N VAL A -9 18.558 7.515 -20.442 1.00 15.32 N ATOM 34 CA VAL A -9 18.336 6.499 -21.466 1.00 15.03 C ATOM 35 C VAL A -9 19.673 5.890 -21.980 1.00 16.16 C ATOM 36 O VAL A -9 19.657 5.060 -22.877 1.00 16.80 O ATOM 37 CB VAL A -9 17.550 7.065 -22.664 1.00 15.22 C ATOM 38 CG1 VAL A -9 16.142 7.518 -22.229 1.00 14.76 C ATOM 39 CG2 VAL A -9 18.330 8.171 -23.376 1.00 13.48 C ATOM 0 H VAL A -9 18.992 8.205 -20.716 1.00 15.32 H new ATOM 0 HA VAL A -9 17.814 5.799 -21.043 1.00 15.03 H new ATOM 0 HB VAL A -9 17.433 6.354 -23.314 1.00 15.22 H new ATOM 0 HG11 VAL A -9 15.664 7.871 -22.996 1.00 14.76 H new ATOM 0 HG12 VAL A -9 15.656 6.761 -21.866 1.00 14.76 H new ATOM 0 HG13 VAL A -9 16.219 8.208 -21.551 1.00 14.76 H new ATOM 0 HG21 VAL A -9 17.809 8.505 -24.123 1.00 13.48 H new ATOM 0 HG22 VAL A -9 18.505 8.895 -22.755 1.00 13.48 H new ATOM 0 HG23 VAL A -9 19.171 7.815 -23.702 1.00 13.48 H new ATOM 40 N GLY A -8 20.806 6.323 -21.426 1.00 15.20 N ATOM 41 CA GLY A -8 22.128 5.780 -21.786 1.00 16.73 C ATOM 42 C GLY A -8 23.186 6.450 -20.907 1.00 18.51 C ATOM 43 O GLY A -8 22.857 7.322 -20.084 1.00 17.38 O ATOM 0 H GLY A -8 20.834 6.941 -20.829 1.00 15.20 H new ATOM 0 HA2 GLY A -8 22.143 4.819 -21.658 1.00 16.73 H new ATOM 0 HA3 GLY A -8 22.316 5.944 -22.723 1.00 16.73 H new ATOM 44 N ARG A -7 24.447 6.049 -21.053 1.00 18.32 N ATOM 45 CA ARG A -7 25.545 6.725 -20.366 1.00 18.75 C ATOM 46 C ARG A -7 26.814 6.671 -21.209 1.00 19.72 C ATOM 47 O ARG A -7 26.948 5.847 -22.102 1.00 19.12 O ATOM 48 CB ARG A -7 25.812 6.130 -18.978 1.00 18.99 C ATOM 49 CG ARG A -7 26.477 4.753 -18.940 1.00 20.76 C ATOM 50 CD ARG A -7 25.483 3.677 -19.382 1.00 22.21 C ATOM 51 NE ARG A -7 25.841 2.338 -18.924 1.00 23.06 N ATOM 52 CZ ARG A -7 25.278 1.698 -17.894 1.00 22.27 C ATOM 53 NH1 ARG A -7 24.327 2.262 -17.148 1.00 20.53 N ATOM 54 NH2 ARG A -7 25.684 0.473 -17.614 1.00 21.18 N ATOM 0 H ARG A -7 24.688 5.387 -21.546 1.00 18.32 H new ATOM 0 HA ARG A -7 25.279 7.650 -20.243 1.00 18.75 H new ATOM 0 HB2 ARG A -7 26.371 6.750 -18.485 1.00 18.99 H new ATOM 0 HB3 ARG A -7 24.967 6.072 -18.505 1.00 18.99 H new ATOM 0 HG2 ARG A -7 27.253 4.745 -19.521 1.00 20.76 H new ATOM 0 HG3 ARG A -7 26.793 4.563 -18.043 1.00 20.76 H new ATOM 0 HD2 ARG A -7 24.601 3.902 -19.046 1.00 22.21 H new ATOM 0 HD3 ARG A -7 25.426 3.676 -20.350 1.00 22.21 H new ATOM 0 HE ARG A -7 26.464 1.928 -19.351 1.00 23.06 H new ATOM 0 HH11 ARG A -7 24.059 3.060 -17.324 1.00 20.53 H new ATOM 0 HH12 ARG A -7 23.982 1.828 -16.491 1.00 20.53 H new ATOM 0 HH21 ARG A -7 26.298 0.104 -18.090 1.00 21.18 H new ATOM 0 HH22 ARG A -7 25.335 0.044 -16.956 1.00 21.18 H new ATOM 55 N ILE A -6 27.747 7.550 -20.885 1.00 19.38 N ATOM 56 CA ILE A -6 29.032 7.570 -21.525 1.00 19.30 C ATOM 57 C ILE A -6 30.035 7.311 -20.416 1.00 20.48 C ATOM 58 O ILE A -6 30.013 7.964 -19.353 1.00 22.26 O ATOM 59 CB ILE A -6 29.240 8.900 -22.281 1.00 19.34 C ATOM 60 CG1 ILE A -6 28.273 8.952 -23.470 1.00 17.73 C ATOM 61 CG2 ILE A -6 30.673 9.047 -22.781 1.00 19.06 C ATOM 62 CD1 ILE A -6 28.094 10.313 -24.101 1.00 19.13 C ATOM 0 H ILE A -6 27.645 8.154 -20.281 1.00 19.38 H new ATOM 0 HA ILE A -6 29.131 6.893 -22.212 1.00 19.30 H new ATOM 0 HB ILE A -6 29.066 9.631 -21.668 1.00 19.34 H new ATOM 0 HG12 ILE A -6 28.587 8.336 -24.150 1.00 17.73 H new ATOM 0 HG13 ILE A -6 27.406 8.632 -23.176 1.00 17.73 H new ATOM 0 HG21 ILE A -6 30.767 9.891 -23.250 1.00 19.06 H new ATOM 0 HG22 ILE A -6 31.283 9.026 -22.027 1.00 19.06 H new ATOM 0 HG23 ILE A -6 30.882 8.317 -23.385 1.00 19.06 H new ATOM 0 HD11 ILE A -6 27.469 10.248 -24.840 1.00 19.13 H new ATOM 0 HD12 ILE A -6 27.749 10.934 -23.440 1.00 19.13 H new ATOM 0 HD13 ILE A -6 28.949 10.633 -24.429 1.00 19.13 H new ATOM 63 N ILE A -5 30.879 6.328 -20.632 0.87 19.62 N ATOM 64 CA ILE A -5 31.879 5.977 -19.636 0.87 21.88 C ATOM 65 C ILE A -5 33.260 6.432 -20.102 0.87 22.13 C ATOM 66 O ILE A -5 33.667 6.133 -21.214 0.87 22.01 O ATOM 67 CB ILE A -5 31.801 4.473 -19.329 0.87 22.35 C ATOM 68 CG1 ILE A -5 30.513 4.234 -18.527 0.87 22.88 C ATOM 69 CG2 ILE A -5 33.021 4.004 -18.545 0.87 23.85 C ATOM 70 CD1 ILE A -5 30.005 2.811 -18.547 0.87 24.57 C ATOM 0 H ILE A -5 30.895 5.848 -21.346 0.87 19.62 H new ATOM 0 HA ILE A -5 31.704 6.440 -18.802 0.87 21.88 H new ATOM 0 HB ILE A -5 31.789 3.964 -20.155 0.87 22.35 H new ATOM 0 HG12 ILE A -5 30.668 4.495 -17.606 0.87 22.88 H new ATOM 0 HG13 ILE A -5 29.819 4.816 -18.874 0.87 22.88 H new ATOM 0 HG21 ILE A -5 32.945 3.054 -18.366 0.87 23.85 H new ATOM 0 HG22 ILE A -5 33.823 4.172 -19.064 0.87 23.85 H new ATOM 0 HG23 ILE A -5 33.072 4.488 -17.706 0.87 23.85 H new ATOM 0 HD11 ILE A -5 29.194 2.749 -18.019 0.87 24.57 H new ATOM 0 HD12 ILE A -5 29.816 2.547 -19.461 0.87 24.57 H new ATOM 0 HD13 ILE A -5 30.679 2.221 -18.173 0.87 24.57 H new ATOM 71 N LEU A -4 33.946 7.198 -19.260 1.00 23.83 N ATOM 72 CA LEU A -4 35.256 7.771 -19.608 1.00 26.91 C ATOM 73 C LEU A -4 36.361 6.867 -19.117 1.00 29.75 C ATOM 74 O LEU A -4 36.215 6.208 -18.092 1.00 26.52 O ATOM 75 CB LEU A -4 35.438 9.169 -18.999 1.00 26.39 C ATOM 76 CG LEU A -4 34.371 10.181 -19.382 1.00 25.86 C ATOM 77 CD1 LEU A -4 34.550 11.467 -18.584 1.00 26.41 C ATOM 78 CD2 LEU A -4 34.399 10.438 -20.886 1.00 26.12 C ATOM 0 H LEU A -4 33.671 7.403 -18.471 1.00 23.83 H new ATOM 0 HA LEU A -4 35.296 7.849 -20.574 1.00 26.91 H new ATOM 0 HB2 LEU A -4 35.454 9.086 -18.033 1.00 26.39 H new ATOM 0 HB3 LEU A -4 36.303 9.514 -19.269 1.00 26.39 H new ATOM 0 HG LEU A -4 33.498 9.820 -19.163 1.00 25.86 H new ATOM 0 HD11 LEU A -4 33.864 12.104 -18.838 1.00 26.41 H new ATOM 0 HD12 LEU A -4 34.476 11.273 -17.636 1.00 26.41 H new ATOM 0 HD13 LEU A -4 35.424 11.844 -18.769 1.00 26.41 H new ATOM 0 HD21 LEU A -4 33.714 11.085 -21.117 1.00 26.12 H new ATOM 0 HD22 LEU A -4 35.269 10.785 -21.139 1.00 26.12 H new ATOM 0 HD23 LEU A -4 34.232 9.608 -21.359 1.00 26.12 H new ATOM 79 N SER A -3 37.448 6.812 -19.882 1.00 34.05 N ATOM 80 CA SER A -3 38.626 6.008 -19.530 1.00 40.18 C ATOM 81 C SER A -3 39.126 6.342 -18.133 1.00 44.69 C ATOM 82 O SER A -3 39.808 5.530 -17.511 1.00 55.23 O ATOM 83 CB SER A -3 39.750 6.295 -20.514 1.00 40.59 C ATOM 84 OG SER A -3 39.993 7.688 -20.531 1.00 38.73 O ATOM 0 H SER A -3 37.527 7.240 -20.624 1.00 34.05 H new ATOM 0 HA SER A -3 38.366 5.074 -19.561 1.00 40.18 H new ATOM 0 HB2 SER A -3 40.553 5.817 -20.256 1.00 40.59 H new ATOM 0 HB3 SER A -3 39.508 5.985 -21.401 1.00 40.59 H new ATOM 0 HG SER A -3 40.802 7.829 -20.708 1.00 38.73 H new ATOM 85 N PRO A 2 45.434 9.352 -21.801 1.00 47.48 N ATOM 86 CA PRO A 2 44.721 9.475 -23.066 1.00 47.87 C ATOM 87 C PRO A 2 43.218 9.273 -22.854 1.00 47.12 C ATOM 88 O PRO A 2 42.760 8.149 -22.605 1.00 47.31 O ATOM 89 CB PRO A 2 45.315 8.348 -23.922 1.00 46.97 C ATOM 90 CG PRO A 2 46.013 7.424 -22.963 1.00 49.15 C ATOM 91 CD PRO A 2 45.883 7.972 -21.565 1.00 48.87 C ATOM 0 HA PRO A 2 44.818 10.348 -23.478 1.00 47.87 H new ATOM 0 HB2 PRO A 2 44.620 7.880 -24.411 1.00 46.97 H new ATOM 0 HB3 PRO A 2 45.936 8.701 -24.578 1.00 46.97 H new ATOM 0 HG2 PRO A 2 45.625 6.536 -23.012 1.00 49.15 H new ATOM 0 HG3 PRO A 2 46.949 7.338 -23.203 1.00 49.15 H new ATOM 0 HD2 PRO A 2 45.242 7.469 -21.039 1.00 48.87 H new ATOM 0 HD3 PRO A 2 46.726 7.944 -21.087 1.00 48.87 H new ATOM 92 N ILE A 3 42.463 10.364 -22.938 1.00 43.12 N ATOM 93 CA ILE A 3 41.040 10.317 -22.626 1.00 38.98 C ATOM 94 C ILE A 3 40.274 9.593 -23.728 1.00 34.28 C ATOM 95 O ILE A 3 40.207 10.055 -24.859 1.00 31.69 O ATOM 96 CB ILE A 3 40.438 11.722 -22.359 1.00 36.39 C ATOM 97 CG1 ILE A 3 40.998 12.306 -21.047 1.00 33.18 C ATOM 98 CG2 ILE A 3 38.914 11.640 -22.293 1.00 36.35 C ATOM 99 CD1 ILE A 3 40.870 13.814 -20.960 1.00 33.24 C ATOM 0 H ILE A 3 42.755 11.138 -23.173 1.00 43.12 H new ATOM 0 HA ILE A 3 40.947 9.817 -21.800 1.00 38.98 H new ATOM 0 HB ILE A 3 40.687 12.309 -23.090 1.00 36.39 H new ATOM 0 HG12 ILE A 3 40.533 11.904 -20.297 1.00 33.18 H new ATOM 0 HG13 ILE A 3 41.933 12.062 -20.965 1.00 33.18 H new ATOM 0 HG21 ILE A 3 38.549 12.523 -22.126 1.00 36.35 H new ATOM 0 HG22 ILE A 3 38.571 11.303 -23.135 1.00 36.35 H new ATOM 0 HG23 ILE A 3 38.653 11.042 -21.576 1.00 36.35 H new ATOM 0 HD11 ILE A 3 41.237 14.122 -20.117 1.00 33.24 H new ATOM 0 HD12 ILE A 3 41.356 14.223 -21.693 1.00 33.24 H new ATOM 0 HD13 ILE A 3 39.934 14.063 -21.015 1.00 33.24 H new ATOM 100 N THR A 4 39.708 8.454 -23.368 1.00 32.20 N ATOM 101 CA THR A 4 38.802 7.727 -24.264 1.00 33.00 C ATOM 102 C THR A 4 37.396 7.679 -23.643 1.00 30.40 C ATOM 103 O THR A 4 37.238 7.944 -22.443 1.00 28.92 O ATOM 104 CB THR A 4 39.327 6.309 -24.556 1.00 33.26 C ATOM 105 OG1 THR A 4 39.608 5.660 -23.315 1.00 35.59 O ATOM 106 CG2 THR A 4 40.648 6.377 -25.374 1.00 36.20 C ATOM 0 H THR A 4 39.832 8.076 -22.605 1.00 32.20 H new ATOM 0 HA THR A 4 38.757 8.196 -25.112 1.00 33.00 H new ATOM 0 HB THR A 4 38.657 5.824 -25.062 1.00 33.26 H new ATOM 0 HG1 THR A 4 40.435 5.681 -23.168 1.00 35.59 H new ATOM 0 HG21 THR A 4 40.966 5.478 -25.550 1.00 36.20 H new ATOM 0 HG22 THR A 4 40.485 6.832 -26.215 1.00 36.20 H new ATOM 0 HG23 THR A 4 41.318 6.863 -24.868 1.00 36.20 H new ATOM 107 N ALA A 5 36.397 7.365 -24.476 1.00 26.33 N ATOM 108 CA ALA A 5 34.995 7.276 -24.078 1.00 25.24 C ATOM 109 C ALA A 5 34.241 6.228 -24.907 1.00 24.01 C ATOM 110 O ALA A 5 34.506 6.046 -26.103 1.00 22.23 O ATOM 111 CB ALA A 5 34.316 8.640 -24.255 1.00 24.47 C ATOM 0 H ALA A 5 36.524 7.194 -25.309 1.00 26.33 H new ATOM 0 HA ALA A 5 34.969 7.008 -23.146 1.00 25.24 H new ATOM 0 HB1 ALA A 5 33.385 8.575 -23.989 1.00 24.47 H new ATOM 0 HB2 ALA A 5 34.764 9.299 -23.702 1.00 24.47 H new ATOM 0 HB3 ALA A 5 34.368 8.909 -25.185 1.00 24.47 H new ATOM 112 N TYR A 6 33.271 5.581 -24.280 1.00 21.63 N ATOM 113 CA TYR A 6 32.354 4.757 -25.021 1.00 21.87 C ATOM 114 C TYR A 6 30.948 4.918 -24.476 1.00 21.07 C ATOM 115 O TYR A 6 30.755 5.239 -23.301 1.00 20.80 O ATOM 116 CB TYR A 6 32.808 3.281 -25.092 1.00 20.20 C ATOM 117 CG TYR A 6 32.817 2.565 -23.776 1.00 21.70 C ATOM 118 CD1 TYR A 6 31.665 1.948 -23.299 1.00 22.23 C ATOM 119 CD2 TYR A 6 33.982 2.490 -22.995 1.00 22.63 C ATOM 120 CE1 TYR A 6 31.659 1.271 -22.092 1.00 21.72 C ATOM 121 CE2 TYR A 6 33.975 1.828 -21.763 1.00 22.40 C ATOM 122 CZ TYR A 6 32.809 1.212 -21.337 1.00 23.44 C ATOM 123 OH TYR A 6 32.760 0.540 -20.132 1.00 26.56 O ATOM 0 H TYR A 6 33.132 5.609 -23.432 1.00 21.63 H new ATOM 0 HA TYR A 6 32.349 5.063 -25.941 1.00 21.87 H new ATOM 0 HB2 TYR A 6 32.223 2.804 -25.702 1.00 20.20 H new ATOM 0 HB3 TYR A 6 33.700 3.248 -25.471 1.00 20.20 H new ATOM 0 HD1 TYR A 6 30.883 1.991 -23.801 1.00 22.23 H new ATOM 0 HD2 TYR A 6 34.767 2.885 -23.300 1.00 22.63 H new ATOM 0 HE1 TYR A 6 30.882 0.858 -21.792 1.00 21.72 H new ATOM 0 HE2 TYR A 6 34.742 1.802 -21.237 1.00 22.40 H new ATOM 0 HH TYR A 6 33.529 0.510 -19.796 1.00 26.56 H new ATOM 124 N SER A 7 29.969 4.667 -25.335 1.00 20.42 N ATOM 125 CA SER A 7 28.566 4.873 -24.985 1.00 20.69 C ATOM 126 C SER A 7 27.864 3.534 -24.794 1.00 19.44 C ATOM 127 O SER A 7 28.268 2.520 -25.355 1.00 17.83 O ATOM 128 CB SER A 7 27.902 5.696 -26.101 1.00 21.93 C ATOM 129 OG SER A 7 26.652 6.195 -25.670 1.00 27.44 O ATOM 0 H SER A 7 30.096 4.374 -26.134 1.00 20.42 H new ATOM 0 HA SER A 7 28.498 5.356 -24.147 1.00 20.69 H new ATOM 0 HB2 SER A 7 28.480 6.432 -26.355 1.00 21.93 H new ATOM 0 HB3 SER A 7 27.782 5.144 -26.890 1.00 21.93 H new ATOM 0 HG SER A 7 26.589 7.008 -25.873 1.00 27.44 H new ATOM 130 N GLN A 8 26.822 3.513 -23.972 1.00 19.50 N ATOM 131 CA GLN A 8 25.977 2.318 -23.835 1.00 18.41 C ATOM 132 C GLN A 8 24.579 2.826 -23.676 1.00 18.46 C ATOM 133 O GLN A 8 24.351 3.631 -22.776 1.00 17.23 O ATOM 134 CB GLN A 8 26.328 1.507 -22.577 1.00 19.00 C ATOM 135 CG GLN A 8 27.708 0.868 -22.601 1.00 20.50 C ATOM 136 CD GLN A 8 27.972 0.043 -21.365 1.00 21.41 C ATOM 137 OE1 GLN A 8 27.549 0.407 -20.238 1.00 20.41 O ATOM 138 NE2 GLN A 8 28.678 -1.073 -21.552 1.00 20.23 N ATOM 0 H GLN A 8 26.582 4.178 -23.482 1.00 19.50 H new ATOM 0 HA GLN A 8 26.099 1.740 -24.604 1.00 18.41 H new ATOM 0 HB2 GLN A 8 26.267 2.089 -21.804 1.00 19.00 H new ATOM 0 HB3 GLN A 8 25.664 0.810 -22.460 1.00 19.00 H new ATOM 0 HG2 GLN A 8 27.789 0.306 -23.387 1.00 20.50 H new ATOM 0 HG3 GLN A 8 28.383 1.561 -22.676 1.00 20.50 H new ATOM 0 HE21 GLN A 8 28.948 -1.284 -22.341 1.00 20.23 H new ATOM 0 HE22 GLN A 8 28.863 -1.582 -20.884 1.00 20.23 H new ATOM 139 N GLN A 9 23.665 2.371 -24.540 1.00 17.24 N ATOM 140 CA GLN A 9 22.232 2.566 -24.366 1.00 17.37 C ATOM 141 C GLN A 9 21.732 1.801 -23.138 1.00 17.89 C ATOM 142 O GLN A 9 22.221 0.718 -22.845 1.00 16.79 O ATOM 143 CB GLN A 9 21.485 2.065 -25.609 1.00 17.58 C ATOM 144 CG GLN A 9 20.014 2.437 -25.627 1.00 18.29 C ATOM 145 CD GLN A 9 19.299 2.009 -26.892 1.00 18.76 C ATOM 146 OE1 GLN A 9 19.861 1.300 -27.728 1.00 20.50 O ATOM 147 NE2 GLN A 9 18.056 2.456 -27.047 1.00 17.68 N ATOM 0 H GLN A 9 23.869 1.935 -25.252 1.00 17.24 H new ATOM 0 HA GLN A 9 22.064 3.513 -24.240 1.00 17.37 H new ATOM 0 HB2 GLN A 9 21.912 2.427 -26.401 1.00 17.58 H new ATOM 0 HB3 GLN A 9 21.567 1.100 -25.659 1.00 17.58 H new ATOM 0 HG2 GLN A 9 19.576 2.031 -24.863 1.00 18.29 H new ATOM 0 HG3 GLN A 9 19.929 3.398 -25.525 1.00 18.29 H new ATOM 0 HE21 GLN A 9 17.698 2.949 -26.440 1.00 17.68 H new ATOM 0 HE22 GLN A 9 17.611 2.252 -27.754 1.00 17.68 H new ATOM 148 N THR A 10 20.725 2.343 -22.451 1.00 18.28 N ATOM 149 CA THR A 10 20.094 1.631 -21.357 1.00 18.34 C ATOM 150 C THR A 10 18.577 1.534 -21.484 1.00 18.48 C ATOM 151 O THR A 10 17.961 0.669 -20.856 1.00 17.14 O ATOM 152 CB THR A 10 20.380 2.262 -19.982 1.00 19.27 C ATOM 153 OG1 THR A 10 19.940 3.622 -19.984 1.00 21.40 O ATOM 154 CG2 THR A 10 21.834 2.187 -19.618 1.00 17.91 C ATOM 0 H THR A 10 20.397 3.122 -22.608 1.00 18.28 H new ATOM 0 HA THR A 10 20.488 0.747 -21.415 1.00 18.34 H new ATOM 0 HB THR A 10 19.892 1.757 -19.313 1.00 19.27 H new ATOM 0 HG1 THR A 10 19.578 3.801 -19.248 1.00 21.40 H new ATOM 0 HG21 THR A 10 21.971 2.594 -18.748 1.00 17.91 H new ATOM 0 HG22 THR A 10 22.113 1.258 -19.588 1.00 17.91 H new ATOM 0 HG23 THR A 10 22.359 2.660 -20.282 1.00 17.91 H new ATOM 155 N ARG A 11 17.971 2.434 -22.254 1.00 18.46 N ATOM 156 CA ARG A 11 16.528 2.456 -22.395 1.00 18.81 C ATOM 157 C ARG A 11 16.109 2.698 -23.833 1.00 20.85 C ATOM 158 O ARG A 11 16.765 3.453 -24.582 1.00 21.29 O ATOM 159 CB ARG A 11 15.876 3.526 -21.497 1.00 18.82 C ATOM 160 CG ARG A 11 15.775 3.160 -20.022 1.00 19.05 C ATOM 161 CD ARG A 11 14.832 4.117 -19.268 1.00 20.19 C ATOM 162 NE ARG A 11 14.770 3.769 -17.861 1.00 19.33 N ATOM 163 CZ ARG A 11 13.906 2.896 -17.345 1.00 22.76 C ATOM 164 NH1 ARG A 11 12.999 2.295 -18.122 1.00 21.32 N ATOM 165 NH2 ARG A 11 13.935 2.638 -16.033 1.00 24.38 N ATOM 0 H ARG A 11 18.383 3.041 -22.703 1.00 18.46 H new ATOM 0 HA ARG A 11 16.219 1.580 -22.115 1.00 18.81 H new ATOM 0 HB2 ARG A 11 16.384 4.349 -21.577 1.00 18.82 H new ATOM 0 HB3 ARG A 11 14.984 3.709 -21.832 1.00 18.82 H new ATOM 0 HG2 ARG A 11 15.452 2.250 -19.934 1.00 19.05 H new ATOM 0 HG3 ARG A 11 16.657 3.188 -19.619 1.00 19.05 H new ATOM 0 HD2 ARG A 11 15.143 5.030 -19.367 1.00 20.19 H new ATOM 0 HD3 ARG A 11 13.944 4.076 -19.656 1.00 20.19 H new ATOM 0 HE ARG A 11 15.326 4.150 -17.327 1.00 19.33 H new ATOM 0 HH11 ARG A 11 12.970 2.471 -18.963 1.00 21.32 H new ATOM 0 HH12 ARG A 11 12.445 1.733 -17.780 1.00 21.32 H new ATOM 0 HH21 ARG A 11 14.508 3.035 -15.529 1.00 24.38 H new ATOM 0 HH22 ARG A 11 13.380 2.076 -15.693 1.00 24.38 H new ATOM 166 N GLY A 12 14.994 2.066 -24.200 1.00 22.19 N ATOM 167 CA GLY A 12 14.332 2.316 -25.460 1.00 22.74 C ATOM 168 C GLY A 12 13.286 3.392 -25.331 1.00 24.92 C ATOM 169 O GLY A 12 12.991 3.875 -24.225 1.00 23.52 O ATOM 0 H GLY A 12 14.603 1.475 -23.713 1.00 22.19 H new ATOM 0 HA2 GLY A 12 14.988 2.579 -26.125 1.00 22.74 H new ATOM 0 HA3 GLY A 12 13.919 1.498 -25.777 1.00 22.74 H new ATOM 170 N LEU A 13 12.698 3.753 -26.471 1.00 27.01 N ATOM 171 CA LEU A 13 11.851 4.929 -26.567 1.00 29.48 C ATOM 172 C LEU A 13 10.572 4.759 -25.736 1.00 29.97 C ATOM 173 O LEU A 13 10.106 5.691 -25.077 1.00 27.98 O ATOM 174 CB LEU A 13 11.520 5.175 -28.039 1.00 32.71 C ATOM 175 CG LEU A 13 10.805 6.449 -28.457 1.00 36.00 C ATOM 176 CD1 LEU A 13 11.648 7.674 -28.140 1.00 37.52 C ATOM 177 CD2 LEU A 13 10.539 6.366 -29.949 1.00 38.95 C ATOM 0 H LEU A 13 12.782 3.319 -27.209 1.00 27.01 H new ATOM 0 HA LEU A 13 12.323 5.697 -26.208 1.00 29.48 H new ATOM 0 HB2 LEU A 13 12.355 5.138 -28.532 1.00 32.71 H new ATOM 0 HB3 LEU A 13 10.979 4.429 -28.341 1.00 32.71 H new ATOM 0 HG LEU A 13 9.972 6.535 -27.967 1.00 36.00 H new ATOM 0 HD11 LEU A 13 11.173 8.474 -28.415 1.00 37.52 H new ATOM 0 HD12 LEU A 13 11.819 7.711 -27.186 1.00 37.52 H new ATOM 0 HD13 LEU A 13 12.491 7.619 -28.617 1.00 37.52 H new ATOM 0 HD21 LEU A 13 10.082 7.170 -30.242 1.00 38.95 H new ATOM 0 HD22 LEU A 13 11.381 6.282 -30.424 1.00 38.95 H new ATOM 0 HD23 LEU A 13 9.984 5.593 -30.136 1.00 38.95 H new ATOM 178 N LEU A 14 10.019 3.553 -25.749 1.00 30.13 N ATOM 179 CA LEU A 14 8.773 3.308 -25.044 1.00 29.18 C ATOM 180 C LEU A 14 8.950 3.388 -23.526 1.00 28.81 C ATOM 181 O LEU A 14 8.167 4.044 -22.838 1.00 29.75 O ATOM 182 CB LEU A 14 8.166 1.970 -25.472 1.00 30.33 C ATOM 183 CG LEU A 14 6.842 1.598 -24.776 1.00 32.45 C ATOM 184 CD1 LEU A 14 5.820 2.720 -24.929 1.00 30.25 C ATOM 185 CD2 LEU A 14 6.290 0.281 -25.314 1.00 31.79 C ATOM 0 H LEU A 14 10.347 2.870 -26.156 1.00 30.13 H new ATOM 0 HA LEU A 14 8.152 4.012 -25.288 1.00 29.18 H new ATOM 0 HB2 LEU A 14 8.016 1.991 -26.430 1.00 30.33 H new ATOM 0 HB3 LEU A 14 8.813 1.268 -25.301 1.00 30.33 H new ATOM 0 HG LEU A 14 7.023 1.479 -23.830 1.00 32.45 H new ATOM 0 HD11 LEU A 14 4.995 2.469 -24.486 1.00 30.25 H new ATOM 0 HD12 LEU A 14 6.168 3.532 -24.528 1.00 30.25 H new ATOM 0 HD13 LEU A 14 5.647 2.874 -25.871 1.00 30.25 H new ATOM 0 HD21 LEU A 14 5.459 0.069 -24.861 1.00 31.79 H new ATOM 0 HD22 LEU A 14 6.127 0.363 -26.267 1.00 31.79 H new ATOM 0 HD23 LEU A 14 6.933 -0.428 -25.156 1.00 31.79 H new ATOM 186 N GLY A 15 9.985 2.737 -23.011 1.00 26.55 N ATOM 187 CA GLY A 15 10.309 2.815 -21.589 1.00 24.85 C ATOM 188 C GLY A 15 10.694 4.228 -21.184 1.00 25.14 C ATOM 189 O GLY A 15 10.363 4.670 -20.086 1.00 24.04 O ATOM 0 H GLY A 15 10.517 2.241 -23.470 1.00 26.55 H new ATOM 0 HA2 GLY A 15 9.546 2.523 -21.065 1.00 24.85 H new ATOM 0 HA3 GLY A 15 11.039 2.209 -21.388 1.00 24.85 H new ATOM 190 N CYS A 16 11.375 4.945 -22.080 1.00 25.47 N ATOM 191 CA CYS A 16 11.648 6.364 -21.891 1.00 26.79 C ATOM 192 C CYS A 16 10.353 7.161 -21.696 1.00 26.71 C ATOM 193 O CYS A 16 10.232 7.892 -20.724 1.00 27.23 O ATOM 194 CB CYS A 16 12.464 6.929 -23.050 1.00 27.90 C ATOM 195 SG CYS A 16 12.711 8.727 -23.032 1.00 37.06 S ATOM 0 H CYS A 16 11.689 4.620 -22.812 1.00 25.47 H new ATOM 0 HA CYS A 16 12.176 6.453 -21.082 1.00 26.79 H new ATOM 0 HB2 CYS A 16 13.334 6.499 -23.052 1.00 27.90 H new ATOM 0 HB3 CYS A 16 12.026 6.687 -23.881 1.00 27.90 H new ATOM 0 HG CYS A 16 13.364 9.051 -23.985 1.00 37.06 H new ATOM 196 N ILE A 17 9.386 7.022 -22.605 1.00 27.87 N ATOM 197 CA ILE A 17 8.117 7.761 -22.481 1.00 27.80 C ATOM 198 C ILE A 17 7.372 7.402 -21.180 1.00 27.00 C ATOM 199 O ILE A 17 6.942 8.302 -20.449 1.00 29.45 O ATOM 200 CB ILE A 17 7.205 7.597 -23.725 1.00 30.36 C ATOM 201 CG1 ILE A 17 7.915 8.070 -25.010 1.00 32.63 C ATOM 202 CG2 ILE A 17 5.886 8.338 -23.551 1.00 30.62 C ATOM 203 CD1 ILE A 17 8.538 9.454 -24.945 1.00 35.36 C ATOM 0 H ILE A 17 9.439 6.512 -23.295 1.00 27.87 H new ATOM 0 HA ILE A 17 8.352 8.701 -22.434 1.00 27.80 H new ATOM 0 HB ILE A 17 7.013 6.650 -23.813 1.00 30.36 H new ATOM 0 HG12 ILE A 17 8.610 7.430 -25.230 1.00 32.63 H new ATOM 0 HG13 ILE A 17 7.274 8.055 -25.738 1.00 32.63 H new ATOM 0 HG21 ILE A 17 5.339 8.217 -24.343 1.00 30.62 H new ATOM 0 HG22 ILE A 17 5.417 7.987 -22.778 1.00 30.62 H new ATOM 0 HG23 ILE A 17 6.060 9.283 -23.421 1.00 30.62 H new ATOM 0 HD11 ILE A 17 8.958 9.660 -25.795 1.00 35.36 H new ATOM 0 HD12 ILE A 17 7.849 10.111 -24.757 1.00 35.36 H new ATOM 0 HD13 ILE A 17 9.205 9.476 -24.241 1.00 35.36 H new ATOM 204 N ILE A 18 7.254 6.110 -20.882 1.00 23.70 N ATOM 205 CA ILE A 18 6.601 5.636 -19.648 1.00 24.55 C ATOM 206 C ILE A 18 7.281 6.175 -18.381 1.00 24.08 C ATOM 207 O ILE A 18 6.621 6.731 -17.484 1.00 24.97 O ATOM 208 CB ILE A 18 6.560 4.077 -19.596 1.00 24.62 C ATOM 209 CG1 ILE A 18 5.792 3.513 -20.809 1.00 26.26 C ATOM 210 CG2 ILE A 18 5.937 3.577 -18.299 1.00 23.17 C ATOM 211 CD1 ILE A 18 5.807 1.989 -20.897 1.00 26.39 C ATOM 0 H ILE A 18 7.548 5.478 -21.386 1.00 23.70 H new ATOM 0 HA ILE A 18 5.695 5.981 -19.671 1.00 24.55 H new ATOM 0 HB ILE A 18 7.476 3.760 -19.629 1.00 24.62 H new ATOM 0 HG12 ILE A 18 4.872 3.817 -20.767 1.00 26.26 H new ATOM 0 HG13 ILE A 18 6.175 3.879 -21.622 1.00 26.26 H new ATOM 0 HG21 ILE A 18 5.926 2.607 -18.298 1.00 23.17 H new ATOM 0 HG22 ILE A 18 6.459 3.895 -17.546 1.00 23.17 H new ATOM 0 HG23 ILE A 18 5.029 3.910 -18.227 1.00 23.17 H new ATOM 0 HD11 ILE A 18 5.308 1.705 -21.679 1.00 26.39 H new ATOM 0 HD12 ILE A 18 6.723 1.678 -20.968 1.00 26.39 H new ATOM 0 HD13 ILE A 18 5.399 1.615 -20.100 1.00 26.39 H new ATOM 212 N THR A 19 8.598 5.974 -18.297 1.00 22.88 N ATOM 213 CA THR A 19 9.394 6.427 -17.159 1.00 22.03 C ATOM 214 C THR A 19 9.274 7.938 -16.993 1.00 22.51 C ATOM 215 O THR A 19 9.349 8.444 -15.874 1.00 22.58 O ATOM 216 CB THR A 19 10.888 6.074 -17.290 1.00 22.07 C ATOM 217 OG1 THR A 19 11.047 4.691 -17.628 1.00 21.69 O ATOM 218 CG2 THR A 19 11.648 6.357 -15.974 1.00 21.96 C ATOM 0 H THR A 19 9.055 5.569 -18.903 1.00 22.88 H new ATOM 0 HA THR A 19 9.039 5.964 -16.384 1.00 22.03 H new ATOM 0 HB THR A 19 11.257 6.630 -17.994 1.00 22.07 H new ATOM 0 HG1 THR A 19 11.140 4.614 -18.459 1.00 21.69 H new ATOM 0 HG21 THR A 19 12.584 6.126 -16.084 1.00 21.96 H new ATOM 0 HG22 THR A 19 11.571 7.298 -15.752 1.00 21.96 H new ATOM 0 HG23 THR A 19 11.266 5.824 -15.259 1.00 21.96 H new ATOM 219 N SER A 20 9.115 8.656 -18.099 1.00 21.97 N ATOM 220 CA SER A 20 8.889 10.094 -18.033 1.00 23.64 C ATOM 221 C SER A 20 7.615 10.462 -17.249 1.00 25.13 C ATOM 222 O SER A 20 7.606 11.413 -16.439 1.00 24.89 O ATOM 223 CB SER A 20 8.798 10.676 -19.442 1.00 24.13 C ATOM 224 OG SER A 20 9.060 12.042 -19.360 1.00 26.93 O ATOM 0 H SER A 20 9.134 8.331 -18.895 1.00 21.97 H new ATOM 0 HA SER A 20 9.645 10.473 -17.558 1.00 23.64 H new ATOM 0 HB2 SER A 20 9.436 10.243 -20.030 1.00 24.13 H new ATOM 0 HB3 SER A 20 7.917 10.521 -19.817 1.00 24.13 H new ATOM 0 HG SER A 20 9.792 12.164 -18.967 1.00 26.93 H new ATOM 225 N LEU A 21 6.551 9.705 -17.493 1.00 25.68 N ATOM 226 CA LEU A 21 5.259 9.956 -16.860 1.00 26.77 C ATOM 227 C LEU A 21 5.223 9.511 -15.410 1.00 27.29 C ATOM 228 O LEU A 21 4.491 10.093 -14.621 1.00 28.85 O ATOM 229 CB LEU A 21 4.118 9.324 -17.681 1.00 28.56 C ATOM 230 CG LEU A 21 4.071 9.855 -19.130 1.00 31.13 C ATOM 231 CD1 LEU A 21 2.963 9.201 -19.954 1.00 34.30 C ATOM 232 CD2 LEU A 21 3.958 11.391 -19.171 1.00 31.39 C ATOM 0 H LEU A 21 6.556 9.032 -18.029 1.00 25.68 H new ATOM 0 HA LEU A 21 5.127 10.917 -16.849 1.00 26.77 H new ATOM 0 HB2 LEU A 21 4.229 8.360 -17.696 1.00 28.56 H new ATOM 0 HB3 LEU A 21 3.271 9.505 -17.245 1.00 28.56 H new ATOM 0 HG LEU A 21 4.915 9.608 -19.539 1.00 31.13 H new ATOM 0 HD11 LEU A 21 2.971 9.564 -20.854 1.00 34.30 H new ATOM 0 HD12 LEU A 21 3.110 8.243 -19.991 1.00 34.30 H new ATOM 0 HD13 LEU A 21 2.104 9.381 -19.541 1.00 34.30 H new ATOM 0 HD21 LEU A 21 3.931 11.689 -20.094 1.00 31.39 H new ATOM 0 HD22 LEU A 21 3.146 11.668 -18.718 1.00 31.39 H new ATOM 0 HD23 LEU A 21 4.726 11.784 -18.727 1.00 31.39 H new ATOM 233 N THR A 22 6.009 8.490 -15.050 1.00 26.36 N ATOM 234 CA THR A 22 5.990 7.996 -13.679 1.00 24.73 C ATOM 235 C THR A 22 7.041 8.635 -12.802 1.00 25.13 C ATOM 236 O THR A 22 6.812 8.767 -11.614 1.00 25.59 O ATOM 237 CB THR A 22 6.164 6.468 -13.555 1.00 26.36 C ATOM 238 OG1 THR A 22 7.540 6.120 -13.779 1.00 26.74 O ATOM 239 CG2 THR A 22 5.227 5.718 -14.520 1.00 25.55 C ATOM 0 H THR A 22 6.550 8.079 -15.578 1.00 26.36 H new ATOM 0 HA THR A 22 5.102 8.243 -13.377 1.00 24.73 H new ATOM 0 HB THR A 22 5.918 6.196 -12.657 1.00 26.36 H new ATOM 0 HG1 THR A 22 7.634 5.288 -13.710 1.00 26.74 H new ATOM 0 HG21 THR A 22 5.358 4.762 -14.421 1.00 25.55 H new ATOM 0 HG22 THR A 22 4.305 5.941 -14.315 1.00 25.55 H new ATOM 0 HG23 THR A 22 5.427 5.978 -15.433 1.00 25.55 H new ATOM 240 N GLY A 23 8.198 8.996 -13.367 1.00 23.59 N ATOM 241 CA GLY A 23 9.314 9.553 -12.595 1.00 22.56 C ATOM 242 C GLY A 23 10.061 8.496 -11.818 1.00 23.30 C ATOM 243 O GLY A 23 10.909 8.808 -10.980 1.00 21.90 O ATOM 0 H GLY A 23 8.357 8.924 -14.209 1.00 23.59 H new ATOM 0 HA2 GLY A 23 9.928 10.003 -13.197 1.00 22.56 H new ATOM 0 HA3 GLY A 23 8.976 10.224 -11.981 1.00 22.56 H new ATOM 244 N ARG A 24 9.731 7.235 -12.087 1.00 23.41 N ATOM 245 CA ARG A 24 10.299 6.117 -11.349 1.00 25.43 C ATOM 246 C ARG A 24 11.279 5.357 -12.240 1.00 23.54 C ATOM 247 O ARG A 24 10.879 4.738 -13.213 1.00 22.94 O ATOM 248 CB ARG A 24 9.153 5.204 -10.881 1.00 29.96 C ATOM 249 CG ARG A 24 9.582 3.967 -10.105 1.00 35.19 C ATOM 250 CD ARG A 24 9.874 4.283 -8.650 1.00 36.10 C ATOM 251 NE ARG A 24 8.729 4.885 -7.958 1.00 38.34 N ATOM 252 CZ ARG A 24 8.659 5.014 -6.633 1.00 38.15 C ATOM 253 NH1 ARG A 24 9.649 4.576 -5.865 1.00 32.96 N ATOM 254 NH2 ARG A 24 7.605 5.585 -6.067 1.00 41.24 N ATOM 0 H ARG A 24 9.173 7.007 -12.701 1.00 23.41 H new ATOM 0 HA ARG A 24 10.786 6.436 -10.573 1.00 25.43 H new ATOM 0 HB2 ARG A 24 8.552 5.724 -10.325 1.00 29.96 H new ATOM 0 HB3 ARG A 24 8.647 4.921 -11.659 1.00 29.96 H new ATOM 0 HG2 ARG A 24 8.884 3.296 -10.156 1.00 35.19 H new ATOM 0 HG3 ARG A 24 10.373 3.585 -10.517 1.00 35.19 H new ATOM 0 HD2 ARG A 24 10.131 3.468 -8.192 1.00 36.10 H new ATOM 0 HD3 ARG A 24 10.631 4.888 -8.600 1.00 36.10 H new ATOM 0 HE ARG A 24 8.069 5.169 -8.431 1.00 38.34 H new ATOM 0 HH11 ARG A 24 10.339 4.207 -6.222 1.00 32.96 H new ATOM 0 HH12 ARG A 24 9.600 4.661 -5.011 1.00 32.96 H new ATOM 0 HH21 ARG A 24 6.959 5.876 -6.555 1.00 41.24 H new ATOM 0 HH22 ARG A 24 7.567 5.665 -5.212 1.00 41.24 H new ATOM 255 N ASP A 25 12.571 5.434 -11.937 1.00 23.69 N ATOM 256 CA ASP A 25 13.569 4.796 -12.785 1.00 24.98 C ATOM 257 C ASP A 25 14.386 3.870 -11.921 1.00 23.90 C ATOM 258 O ASP A 25 15.168 4.333 -11.104 1.00 25.32 O ATOM 259 CB ASP A 25 14.474 5.849 -13.456 1.00 26.11 C ATOM 260 CG ASP A 25 15.677 5.228 -14.199 1.00 30.58 C ATOM 261 OD1 ASP A 25 15.806 3.972 -14.294 1.00 28.39 O ATOM 262 OD2 ASP A 25 16.512 6.018 -14.707 1.00 33.93 O ATOM 0 H ASP A 25 12.887 5.847 -11.252 1.00 23.69 H new ATOM 0 HA ASP A 25 13.132 4.298 -13.494 1.00 24.98 H new ATOM 0 HB2 ASP A 25 13.947 6.369 -14.083 1.00 26.11 H new ATOM 0 HB3 ASP A 25 14.800 6.465 -12.781 1.00 26.11 H new ATOM 263 N ARG A 26 14.207 2.573 -12.105 1.00 24.16 N ATOM 264 CA ARG A 26 14.877 1.574 -11.265 1.00 26.60 C ATOM 265 C ARG A 26 16.177 1.052 -11.849 1.00 26.88 C ATOM 266 O ARG A 26 16.782 0.187 -11.248 1.00 28.46 O ATOM 267 CB ARG A 26 13.976 0.358 -11.040 1.00 28.49 C ATOM 268 CG ARG A 26 12.662 0.638 -10.354 1.00 33.05 C ATOM 269 CD ARG A 26 11.662 -0.452 -10.707 1.00 36.65 C ATOM 270 NE ARG A 26 10.334 -0.106 -10.219 1.00 41.92 N ATOM 271 CZ ARG A 26 9.380 0.440 -10.971 1.00 44.35 C ATOM 272 NH1 ARG A 26 9.600 0.694 -12.253 1.00 40.02 N ATOM 273 NH2 ARG A 26 8.204 0.736 -10.434 1.00 46.58 N ATOM 0 H ARG A 26 13.699 2.241 -12.714 1.00 24.16 H new ATOM 0 HA ARG A 26 15.070 2.042 -10.437 1.00 26.60 H new ATOM 0 HB2 ARG A 26 13.793 -0.052 -11.900 1.00 28.49 H new ATOM 0 HB3 ARG A 26 14.465 -0.294 -10.513 1.00 28.49 H new ATOM 0 HG2 ARG A 26 12.789 0.674 -9.393 1.00 33.05 H new ATOM 0 HG3 ARG A 26 12.321 1.504 -10.628 1.00 33.05 H new ATOM 0 HD2 ARG A 26 11.637 -0.576 -11.669 1.00 36.65 H new ATOM 0 HD3 ARG A 26 11.945 -1.295 -10.320 1.00 36.65 H new ATOM 0 HE ARG A 26 10.155 -0.264 -9.393 1.00 41.92 H new ATOM 0 HH11 ARG A 26 10.362 0.506 -12.604 1.00 40.02 H new ATOM 0 HH12 ARG A 26 8.980 1.047 -12.734 1.00 40.02 H new ATOM 0 HH21 ARG A 26 8.059 0.575 -9.602 1.00 46.58 H new ATOM 0 HH22 ARG A 26 7.587 1.089 -10.918 1.00 46.58 H new ATOM 274 N ASN A 27 16.589 1.530 -13.020 1.00 26.50 N ATOM 275 CA ASN A 27 17.829 1.052 -13.633 1.00 29.30 C ATOM 276 C ASN A 27 19.046 1.425 -12.827 1.00 30.85 C ATOM 277 O ASN A 27 19.066 2.469 -12.184 1.00 30.81 O ATOM 278 CB ASN A 27 17.994 1.580 -15.067 1.00 28.72 C ATOM 279 CG ASN A 27 17.185 0.793 -16.052 1.00 30.31 C ATOM 280 OD1 ASN A 27 16.617 -0.246 -15.697 1.00 28.59 O ATOM 281 ND2 ASN A 27 17.116 1.270 -17.294 1.00 28.95 N ATOM 0 H ASN A 27 16.170 2.127 -13.475 1.00 26.50 H new ATOM 0 HA ASN A 27 17.757 0.085 -13.655 1.00 29.30 H new ATOM 0 HB2 ASN A 27 17.726 2.512 -15.101 1.00 28.72 H new ATOM 0 HB3 ASN A 27 18.930 1.545 -15.318 1.00 28.72 H new ATOM 0 HD21 ASN A 27 16.661 0.851 -17.891 1.00 28.95 H new ATOM 0 HD22 ASN A 27 17.527 1.997 -17.499 1.00 28.95 H new ATOM 282 N GLN A 28 20.056 0.560 -12.877 1.00 32.45 N ATOM 283 CA GLN A 28 21.373 0.864 -12.336 1.00 35.35 C ATOM 284 C GLN A 28 21.985 2.015 -13.152 1.00 31.52 C ATOM 285 O GLN A 28 21.895 2.033 -14.387 1.00 35.04 O ATOM 286 CB GLN A 28 22.246 -0.396 -12.392 1.00 40.13 C ATOM 287 CG GLN A 28 23.747 -0.164 -12.258 1.00 47.75 C ATOM 288 CD GLN A 28 24.585 -1.420 -12.511 1.00 54.08 C ATOM 289 OE1 GLN A 28 24.133 -2.387 -13.142 1.00 55.00 O ATOM 290 NE2 GLN A 28 25.822 -1.409 -12.011 1.00 57.85 N ATOM 0 H GLN A 28 19.994 -0.223 -13.228 1.00 32.45 H new ATOM 0 HA GLN A 28 21.311 1.142 -11.409 1.00 35.35 H new ATOM 0 HB2 GLN A 28 21.964 -0.997 -11.685 1.00 40.13 H new ATOM 0 HB3 GLN A 28 22.079 -0.849 -13.233 1.00 40.13 H new ATOM 0 HG2 GLN A 28 24.017 0.527 -12.883 1.00 47.75 H new ATOM 0 HG3 GLN A 28 23.937 0.169 -11.367 1.00 47.75 H new ATOM 0 HE21 GLN A 28 26.105 -0.722 -11.578 1.00 57.85 H new ATOM 0 HE22 GLN A 28 26.337 -2.089 -12.122 1.00 57.85 H new ATOM 291 N VAL A 29 22.536 2.992 -12.455 1.00 27.15 N ATOM 292 CA VAL A 29 23.216 4.102 -13.082 1.00 27.92 C ATOM 293 C VAL A 29 24.720 3.856 -13.014 1.00 28.57 C ATOM 294 O VAL A 29 25.208 3.379 -11.998 1.00 28.58 O ATOM 295 CB VAL A 29 22.869 5.434 -12.383 1.00 27.42 C ATOM 296 CG1 VAL A 29 23.721 6.571 -12.932 1.00 25.80 C ATOM 297 CG2 VAL A 29 21.365 5.737 -12.488 1.00 25.29 C ATOM 0 H VAL A 29 22.525 3.028 -11.596 1.00 27.15 H new ATOM 0 HA VAL A 29 22.928 4.168 -14.006 1.00 27.92 H new ATOM 0 HB VAL A 29 23.077 5.348 -11.439 1.00 27.42 H new ATOM 0 HG11 VAL A 29 23.488 7.397 -12.481 1.00 25.80 H new ATOM 0 HG12 VAL A 29 24.659 6.374 -12.782 1.00 25.80 H new ATOM 0 HG13 VAL A 29 23.559 6.666 -13.884 1.00 25.80 H new ATOM 0 HG21 VAL A 29 21.172 6.577 -12.043 1.00 25.29 H new ATOM 0 HG22 VAL A 29 21.112 5.801 -13.422 1.00 25.29 H new ATOM 0 HG23 VAL A 29 20.861 5.024 -12.066 1.00 25.29 H new ATOM 298 N GLU A 30 25.442 4.161 -14.098 1.00 29.18 N ATOM 299 CA GLU A 30 26.913 4.079 -14.132 1.00 29.11 C ATOM 300 C GLU A 30 27.470 5.184 -15.011 1.00 26.00 C ATOM 301 O GLU A 30 26.753 5.750 -15.829 1.00 24.52 O ATOM 302 CB GLU A 30 27.402 2.747 -14.721 1.00 35.82 C ATOM 303 CG GLU A 30 26.934 1.482 -14.023 1.00 44.84 C ATOM 304 CD GLU A 30 27.395 0.217 -14.743 1.00 54.43 C ATOM 305 OE1 GLU A 30 28.382 0.291 -15.523 1.00 53.98 O ATOM 306 OE2 GLU A 30 26.765 -0.853 -14.534 1.00 57.63 O ATOM 0 H GLU A 30 25.092 4.423 -14.839 1.00 29.18 H new ATOM 0 HA GLU A 30 27.218 4.160 -13.215 1.00 29.11 H new ATOM 0 HB2 GLU A 30 27.120 2.704 -15.648 1.00 35.82 H new ATOM 0 HB3 GLU A 30 28.372 2.753 -14.720 1.00 35.82 H new ATOM 0 HG2 GLU A 30 27.270 1.474 -13.113 1.00 44.84 H new ATOM 0 HG3 GLU A 30 25.966 1.485 -13.968 1.00 44.84 H new ATOM 307 N GLY A 31 28.754 5.487 -14.851 1.00 23.50 N ATOM 308 CA GLY A 31 29.433 6.448 -15.729 1.00 23.68 C ATOM 309 C GLY A 31 29.364 7.910 -15.307 1.00 23.08 C ATOM 310 O GLY A 31 28.583 8.294 -14.416 1.00 23.30 O ATOM 0 H GLY A 31 29.255 5.148 -14.239 1.00 23.50 H new ATOM 0 HA2 GLY A 31 30.367 6.194 -15.795 1.00 23.68 H new ATOM 0 HA3 GLY A 31 29.054 6.369 -16.618 1.00 23.68 H new ATOM 311 N GLU A 32 30.177 8.730 -15.960 1.00 22.14 N ATOM 312 CA GLU A 32 30.318 10.131 -15.595 1.00 23.13 C ATOM 313 C GLU A 32 29.288 11.007 -16.302 1.00 21.79 C ATOM 314 O GLU A 32 28.981 12.114 -15.843 1.00 20.85 O ATOM 315 CB GLU A 32 31.722 10.616 -15.964 1.00 25.31 C ATOM 316 CG GLU A 32 32.839 9.905 -15.215 1.00 28.90 C ATOM 317 CD GLU A 32 33.316 8.608 -15.879 1.00 32.32 C ATOM 318 OE1 GLU A 32 32.591 7.973 -16.706 1.00 29.99 O ATOM 319 OE2 GLU A 32 34.452 8.212 -15.544 1.00 36.72 O ATOM 0 H GLU A 32 30.663 8.489 -16.628 1.00 22.14 H new ATOM 0 HA GLU A 32 30.173 10.203 -14.639 1.00 23.13 H new ATOM 0 HB2 GLU A 32 31.856 10.495 -16.917 1.00 25.31 H new ATOM 0 HB3 GLU A 32 31.782 11.568 -15.788 1.00 25.31 H new ATOM 0 HG2 GLU A 32 33.593 10.509 -15.130 1.00 28.90 H new ATOM 0 HG3 GLU A 32 32.535 9.703 -14.316 1.00 28.90 H new ATOM 320 N VAL A 33 28.798 10.519 -17.445 1.00 19.57 N ATOM 321 CA VAL A 33 27.983 11.317 -18.357 1.00 17.83 C ATOM 322 C VAL A 33 26.742 10.518 -18.653 1.00 17.40 C ATOM 323 O VAL A 33 26.841 9.337 -18.979 1.00 17.42 O ATOM 324 CB VAL A 33 28.734 11.621 -19.656 1.00 18.18 C ATOM 325 CG1 VAL A 33 27.854 12.422 -20.614 1.00 17.81 C ATOM 326 CG2 VAL A 33 30.003 12.417 -19.365 1.00 18.37 C ATOM 0 H VAL A 33 28.931 9.712 -17.711 1.00 19.57 H new ATOM 0 HA VAL A 33 27.765 12.170 -17.949 1.00 17.83 H new ATOM 0 HB VAL A 33 28.969 10.775 -20.068 1.00 18.18 H new ATOM 0 HG11 VAL A 33 28.346 12.605 -21.430 1.00 17.81 H new ATOM 0 HG12 VAL A 33 27.057 11.911 -20.825 1.00 17.81 H new ATOM 0 HG13 VAL A 33 27.599 13.260 -20.196 1.00 17.81 H new ATOM 0 HG21 VAL A 33 30.467 12.602 -20.196 1.00 18.37 H new ATOM 0 HG22 VAL A 33 29.769 13.253 -18.933 1.00 18.37 H new ATOM 0 HG23 VAL A 33 30.581 11.903 -18.780 1.00 18.37 H new ATOM 327 N GLN A 34 25.565 11.121 -18.475 1.00 17.75 N ATOM 328 CA GLN A 34 24.298 10.411 -18.773 1.00 16.14 C ATOM 329 C GLN A 34 23.686 10.983 -20.022 1.00 15.54 C ATOM 330 O GLN A 34 23.714 12.198 -20.239 1.00 15.13 O ATOM 331 CB GLN A 34 23.299 10.487 -17.612 1.00 16.55 C ATOM 332 CG GLN A 34 23.911 10.185 -16.251 1.00 17.33 C ATOM 333 CD GLN A 34 24.430 8.760 -16.147 1.00 19.35 C ATOM 334 OE1 GLN A 34 23.774 7.812 -16.583 1.00 20.05 O ATOM 335 NE2 GLN A 34 25.641 8.607 -15.622 1.00 20.10 N ATOM 0 H GLN A 34 25.469 11.926 -18.188 1.00 17.75 H new ATOM 0 HA GLN A 34 24.508 9.473 -18.905 1.00 16.14 H new ATOM 0 HB2 GLN A 34 22.908 11.374 -17.591 1.00 16.55 H new ATOM 0 HB3 GLN A 34 22.576 9.862 -17.778 1.00 16.55 H new ATOM 0 HG2 GLN A 34 24.639 10.804 -16.083 1.00 17.33 H new ATOM 0 HG3 GLN A 34 23.246 10.335 -15.561 1.00 17.33 H new ATOM 0 HE21 GLN A 34 26.071 9.291 -15.327 1.00 20.10 H new ATOM 0 HE22 GLN A 34 25.995 7.824 -15.577 1.00 20.10 H new ATOM 336 N VAL A 35 23.170 10.092 -20.869 1.00 15.07 N ATOM 337 CA VAL A 35 22.319 10.496 -21.976 1.00 15.02 C ATOM 338 C VAL A 35 20.918 10.567 -21.391 1.00 15.18 C ATOM 339 O VAL A 35 20.436 9.603 -20.780 1.00 15.34 O ATOM 340 CB VAL A 35 22.368 9.494 -23.152 1.00 14.96 C ATOM 341 CG1 VAL A 35 21.578 10.061 -24.309 1.00 15.13 C ATOM 342 CG2 VAL A 35 23.827 9.219 -23.569 1.00 14.65 C ATOM 0 H VAL A 35 23.305 9.244 -20.815 1.00 15.07 H new ATOM 0 HA VAL A 35 22.612 11.343 -22.347 1.00 15.02 H new ATOM 0 HB VAL A 35 21.977 8.650 -22.877 1.00 14.96 H new ATOM 0 HG11 VAL A 35 21.602 9.439 -25.053 1.00 15.13 H new ATOM 0 HG12 VAL A 35 20.658 10.201 -24.035 1.00 15.13 H new ATOM 0 HG13 VAL A 35 21.966 10.907 -24.582 1.00 15.13 H new ATOM 0 HG21 VAL A 35 23.840 8.589 -24.307 1.00 14.65 H new ATOM 0 HG22 VAL A 35 24.247 10.049 -23.845 1.00 14.65 H new ATOM 0 HG23 VAL A 35 24.314 8.846 -22.818 1.00 14.65 H new ATOM 343 N VAL A 36 20.283 11.724 -21.539 1.00 14.78 N ATOM 344 CA VAL A 36 18.996 11.966 -20.919 1.00 15.29 C ATOM 345 C VAL A 36 17.989 12.395 -21.975 1.00 17.45 C ATOM 346 O VAL A 36 18.344 13.011 -22.990 1.00 17.34 O ATOM 347 CB VAL A 36 19.045 13.016 -19.767 1.00 14.72 C ATOM 348 CG1 VAL A 36 19.903 12.522 -18.591 1.00 13.44 C ATOM 349 CG2 VAL A 36 19.548 14.372 -20.250 1.00 13.93 C ATOM 0 H VAL A 36 20.587 12.384 -21.999 1.00 14.78 H new ATOM 0 HA VAL A 36 18.723 11.129 -20.512 1.00 15.29 H new ATOM 0 HB VAL A 36 18.133 13.128 -19.458 1.00 14.72 H new ATOM 0 HG11 VAL A 36 19.914 13.195 -17.893 1.00 13.44 H new ATOM 0 HG12 VAL A 36 19.528 11.699 -18.240 1.00 13.44 H new ATOM 0 HG13 VAL A 36 20.809 12.360 -18.897 1.00 13.44 H new ATOM 0 HG21 VAL A 36 19.564 14.995 -19.507 1.00 13.93 H new ATOM 0 HG22 VAL A 36 20.444 14.276 -20.610 1.00 13.93 H new ATOM 0 HG23 VAL A 36 18.957 14.709 -20.941 1.00 13.93 H new ATOM 350 N SER A 37 16.727 12.070 -21.728 1.00 17.99 N ATOM 351 CA SER A 37 15.678 12.443 -22.644 1.00 19.41 C ATOM 352 C SER A 37 14.399 12.813 -21.903 1.00 19.51 C ATOM 353 O SER A 37 14.091 12.248 -20.852 1.00 18.39 O ATOM 354 CB SER A 37 15.386 11.274 -23.575 1.00 19.77 C ATOM 355 OG SER A 37 14.583 11.711 -24.658 1.00 22.22 O ATOM 0 H SER A 37 16.464 11.634 -21.035 1.00 17.99 H new ATOM 0 HA SER A 37 15.977 13.216 -23.147 1.00 19.41 H new ATOM 0 HB2 SER A 37 16.217 10.900 -23.908 1.00 19.77 H new ATOM 0 HB3 SER A 37 14.932 10.568 -23.089 1.00 19.77 H new ATOM 0 HG SER A 37 13.822 11.924 -24.374 1.00 22.22 H new ATOM 356 N THR A 38 13.683 13.787 -22.446 1.00 22.60 N ATOM 357 CA THR A 38 12.279 14.014 -22.093 1.00 24.89 C ATOM 358 C THR A 38 11.497 13.327 -23.221 1.00 26.84 C ATOM 359 O THR A 38 12.074 12.550 -23.989 1.00 24.51 O ATOM 360 CB THR A 38 11.947 15.518 -22.031 1.00 25.54 C ATOM 361 OG1 THR A 38 12.053 16.067 -23.341 1.00 24.83 O ATOM 362 CG2 THR A 38 12.920 16.272 -21.069 1.00 23.48 C ATOM 0 H THR A 38 13.992 14.338 -23.030 1.00 22.60 H new ATOM 0 HA THR A 38 12.060 13.664 -21.215 1.00 24.89 H new ATOM 0 HB THR A 38 11.045 15.624 -21.691 1.00 25.54 H new ATOM 0 HG1 THR A 38 11.858 16.884 -23.319 1.00 24.83 H new ATOM 0 HG21 THR A 38 12.690 17.214 -21.049 1.00 23.48 H new ATOM 0 HG22 THR A 38 12.844 15.901 -20.176 1.00 23.48 H new ATOM 0 HG23 THR A 38 13.831 16.169 -21.385 1.00 23.48 H new ATOM 363 N ALA A 39 10.205 13.622 -23.339 1.00 28.80 N ATOM 364 CA ALA A 39 9.404 13.081 -24.432 1.00 28.65 C ATOM 365 C ALA A 39 9.675 13.765 -25.769 1.00 28.75 C ATOM 366 O ALA A 39 9.292 13.239 -26.816 1.00 30.44 O ATOM 367 CB ALA A 39 7.915 13.137 -24.098 1.00 28.87 C ATOM 0 H ALA A 39 9.774 14.133 -22.797 1.00 28.80 H new ATOM 0 HA ALA A 39 9.673 12.154 -24.531 1.00 28.65 H new ATOM 0 HB1 ALA A 39 7.403 12.773 -24.837 1.00 28.87 H new ATOM 0 HB2 ALA A 39 7.743 12.616 -23.298 1.00 28.87 H new ATOM 0 HB3 ALA A 39 7.652 14.058 -23.946 1.00 28.87 H new ATOM 368 N THR A 40 10.328 14.925 -25.748 1.00 29.36 N ATOM 369 CA THR A 40 10.484 15.720 -26.973 1.00 30.23 C ATOM 370 C THR A 40 11.949 16.009 -27.350 1.00 29.20 C ATOM 371 O THR A 40 12.230 16.451 -28.459 1.00 29.69 O ATOM 372 CB THR A 40 9.727 17.067 -26.871 1.00 32.20 C ATOM 373 OG1 THR A 40 10.252 17.824 -25.765 1.00 34.89 O ATOM 374 CG2 THR A 40 8.221 16.835 -26.652 1.00 31.92 C ATOM 0 H THR A 40 10.686 15.269 -25.046 1.00 29.36 H new ATOM 0 HA THR A 40 10.103 15.168 -27.674 1.00 30.23 H new ATOM 0 HB THR A 40 9.850 17.553 -27.701 1.00 32.20 H new ATOM 0 HG1 THR A 40 10.816 17.360 -25.350 1.00 34.89 H new ATOM 0 HG21 THR A 40 7.767 17.690 -26.591 1.00 31.92 H new ATOM 0 HG22 THR A 40 7.859 16.330 -27.397 1.00 31.92 H new ATOM 0 HG23 THR A 40 8.086 16.339 -25.830 1.00 31.92 H new ATOM 375 N GLN A 41 12.888 15.802 -26.438 1.00 26.52 N ATOM 376 CA GLN A 41 14.272 16.127 -26.768 1.00 25.92 C ATOM 377 C GLN A 41 15.250 15.331 -25.938 1.00 23.63 C ATOM 378 O GLN A 41 14.907 14.882 -24.837 1.00 23.23 O ATOM 379 CB GLN A 41 14.534 17.636 -26.621 1.00 26.71 C ATOM 380 CG GLN A 41 14.351 18.147 -25.217 1.00 29.96 C ATOM 381 CD GLN A 41 13.756 19.537 -25.188 1.00 31.51 C ATOM 382 OE1 GLN A 41 13.206 20.006 -26.174 1.00 33.48 O ATOM 383 NE2 GLN A 41 13.857 20.194 -24.051 1.00 30.82 N ATOM 0 H GLN A 41 12.756 15.486 -25.649 1.00 26.52 H new ATOM 0 HA GLN A 41 14.411 15.881 -27.696 1.00 25.92 H new ATOM 0 HB2 GLN A 41 15.439 17.829 -26.912 1.00 26.71 H new ATOM 0 HB3 GLN A 41 13.937 18.119 -27.213 1.00 26.71 H new ATOM 0 HG2 GLN A 41 13.775 17.540 -24.726 1.00 29.96 H new ATOM 0 HG3 GLN A 41 15.208 18.154 -24.763 1.00 29.96 H new ATOM 0 HE21 GLN A 41 14.251 19.831 -23.378 1.00 30.82 H new ATOM 0 HE22 GLN A 41 13.529 20.986 -23.981 1.00 30.82 H new ATOM 384 N SER A 42 16.464 15.153 -26.461 1.00 20.28 N ATOM 385 CA SER A 42 17.503 14.461 -25.703 1.00 18.69 C ATOM 386 C SER A 42 18.802 15.235 -25.752 1.00 17.64 C ATOM 387 O SER A 42 19.028 16.031 -26.669 1.00 17.86 O ATOM 388 CB SER A 42 17.722 13.036 -26.211 1.00 18.49 C ATOM 389 OG SER A 42 18.247 13.091 -27.527 1.00 20.12 O ATOM 0 H SER A 42 16.703 15.422 -27.242 1.00 20.28 H new ATOM 0 HA SER A 42 17.201 14.406 -24.783 1.00 18.69 H new ATOM 0 HB2 SER A 42 18.333 12.562 -25.626 1.00 18.49 H new ATOM 0 HB3 SER A 42 16.885 12.546 -26.204 1.00 18.49 H new ATOM 0 HG SER A 42 17.617 13.166 -28.077 1.00 20.12 H new ATOM 390 N PHE A 43 19.653 14.974 -24.766 1.00 16.19 N ATOM 391 CA PHE A 43 20.849 15.752 -24.539 1.00 15.73 C ATOM 392 C PHE A 43 21.656 15.022 -23.458 1.00 15.27 C ATOM 393 O PHE A 43 21.386 13.836 -23.191 1.00 15.00 O ATOM 394 CB PHE A 43 20.480 17.221 -24.193 1.00 15.47 C ATOM 395 CG PHE A 43 19.489 17.346 -23.051 1.00 15.98 C ATOM 396 CD1 PHE A 43 18.102 17.232 -23.281 1.00 16.24 C ATOM 397 CD2 PHE A 43 19.931 17.560 -21.757 1.00 15.19 C ATOM 398 CE1 PHE A 43 17.196 17.332 -22.216 1.00 17.01 C ATOM 399 CE2 PHE A 43 19.031 17.664 -20.705 1.00 16.20 C ATOM 400 CZ PHE A 43 17.671 17.545 -20.922 1.00 15.79 C ATOM 0 H PHE A 43 19.545 14.330 -24.206 1.00 16.19 H new ATOM 0 HA PHE A 43 21.404 15.823 -25.332 1.00 15.73 H new ATOM 0 HB2 PHE A 43 21.289 17.704 -23.963 1.00 15.47 H new ATOM 0 HB3 PHE A 43 20.109 17.648 -24.981 1.00 15.47 H new ATOM 0 HD1 PHE A 43 17.787 17.090 -24.144 1.00 16.24 H new ATOM 0 HD2 PHE A 43 20.843 17.635 -21.590 1.00 15.19 H new ATOM 0 HE1 PHE A 43 16.282 17.257 -22.372 1.00 17.01 H new ATOM 0 HE2 PHE A 43 19.347 17.816 -19.844 1.00 16.20 H new ATOM 0 HZ PHE A 43 17.076 17.607 -20.210 1.00 15.79 H new ATOM 401 N LEU A 44 22.654 15.689 -22.873 1.00 15.01 N ATOM 402 CA LEU A 44 23.610 15.039 -21.941 1.00 15.17 C ATOM 403 C LEU A 44 23.567 15.692 -20.577 1.00 15.52 C ATOM 404 O LEU A 44 23.273 16.871 -20.470 1.00 15.47 O ATOM 405 CB LEU A 44 25.055 15.126 -22.467 1.00 14.38 C ATOM 406 CG LEU A 44 25.380 14.417 -23.801 1.00 14.81 C ATOM 407 CD1 LEU A 44 26.865 14.518 -24.114 1.00 13.59 C ATOM 408 CD2 LEU A 44 24.936 12.951 -23.805 1.00 13.94 C ATOM 0 H LEU A 44 22.803 16.527 -22.999 1.00 15.01 H new ATOM 0 HA LEU A 44 23.343 14.109 -21.873 1.00 15.17 H new ATOM 0 HB2 LEU A 44 25.280 16.064 -22.566 1.00 14.38 H new ATOM 0 HB3 LEU A 44 25.643 14.763 -21.786 1.00 14.38 H new ATOM 0 HG LEU A 44 24.877 14.873 -24.493 1.00 14.81 H new ATOM 0 HD11 LEU A 44 27.050 14.068 -24.953 1.00 13.59 H new ATOM 0 HD12 LEU A 44 27.118 15.452 -24.185 1.00 13.59 H new ATOM 0 HD13 LEU A 44 27.375 14.098 -23.403 1.00 13.59 H new ATOM 0 HD21 LEU A 44 25.159 12.547 -24.658 1.00 13.94 H new ATOM 0 HD22 LEU A 44 25.390 12.473 -23.093 1.00 13.94 H new ATOM 0 HD23 LEU A 44 23.977 12.903 -23.666 1.00 13.94 H new ATOM 409 N ALA A 45 23.892 14.924 -19.549 1.00 15.32 N ATOM 410 CA ALA A 45 24.140 15.506 -18.229 1.00 16.96 C ATOM 411 C ALA A 45 25.488 15.015 -17.717 1.00 17.77 C ATOM 412 O ALA A 45 25.873 13.870 -17.967 1.00 19.05 O ATOM 413 CB ALA A 45 23.022 15.129 -17.268 1.00 15.31 C ATOM 0 H ALA A 45 23.975 14.069 -19.588 1.00 15.32 H new ATOM 0 HA ALA A 45 24.159 16.474 -18.295 1.00 16.96 H new ATOM 0 HB1 ALA A 45 23.197 15.520 -16.398 1.00 15.31 H new ATOM 0 HB2 ALA A 45 22.177 15.463 -17.608 1.00 15.31 H new ATOM 0 HB3 ALA A 45 22.978 14.164 -17.185 1.00 15.31 H new ATOM 414 N THR A 46 26.191 15.856 -16.982 1.00 18.62 N ATOM 415 CA THR A 46 27.545 15.530 -16.556 1.00 19.98 C ATOM 416 C THR A 46 27.637 15.540 -15.025 1.00 21.58 C ATOM 417 O THR A 46 27.245 16.525 -14.374 1.00 21.48 O ATOM 418 CB THR A 46 28.556 16.518 -17.170 1.00 20.20 C ATOM 419 OG1 THR A 46 28.537 16.391 -18.600 1.00 19.81 O ATOM 420 CG2 THR A 46 29.968 16.221 -16.674 1.00 20.10 C ATOM 0 H THR A 46 25.906 16.623 -16.717 1.00 18.62 H new ATOM 0 HA THR A 46 27.764 14.639 -16.870 1.00 19.98 H new ATOM 0 HB THR A 46 28.307 17.417 -16.905 1.00 20.20 H new ATOM 0 HG1 THR A 46 27.955 16.906 -18.920 1.00 19.81 H new ATOM 0 HG21 THR A 46 30.590 16.852 -17.070 1.00 20.10 H new ATOM 0 HG22 THR A 46 29.996 16.304 -15.708 1.00 20.10 H new ATOM 0 HG23 THR A 46 30.217 15.319 -16.928 1.00 20.10 H new ATOM 421 N ACYS A 47 28.129 14.449 -14.443 0.50 21.02 N ATOM 422 CA ACYS A 47 28.305 14.397 -12.991 0.50 21.98 C ATOM 423 C ACYS A 47 29.625 15.026 -12.498 0.50 22.90 C ATOM 424 O ACYS A 47 30.722 14.575 -12.850 0.50 23.02 O ATOM 425 CB ACYS A 47 28.142 12.969 -12.495 0.50 22.64 C ATOM 426 SG ACYS A 47 26.421 12.410 -12.607 0.50 23.25 S ATOM 427 N BCYS A 47 28.148 14.451 -14.459 0.50 21.86 N ATOM 428 CA BCYS A 47 28.344 14.391 -13.020 0.50 23.36 C ATOM 429 C BCYS A 47 29.642 15.052 -12.529 0.50 23.73 C ATOM 430 O BCYS A 47 30.746 14.614 -12.883 0.50 23.63 O ATOM 431 CB BCYS A 47 28.326 12.959 -12.550 0.50 25.22 C ATOM 432 SG BCYS A 47 28.061 12.922 -10.777 0.50 29.67 S ATOM 0 H ACYS A 47 28.365 13.736 -14.863 0.50 21.86 H new ATOM 0 H BCYS A 47 28.385 13.744 -14.887 0.50 21.86 H new ATOM 0 HA ACYS A 47 27.606 14.949 -12.606 0.50 23.36 H new ATOM 0 HA BCYS A 47 27.608 14.896 -12.641 0.50 23.36 H new ATOM 0 HB2ACYS A 47 28.708 12.379 -13.016 0.50 25.22 H new ATOM 0 HB2BCYS A 47 27.623 12.468 -13.003 0.50 25.22 H new ATOM 0 HB3ACYS A 47 28.442 12.910 -11.574 0.50 25.22 H new ATOM 0 HB3BCYS A 47 29.164 12.524 -12.772 0.50 25.22 H new ATOM 0 HG ACYS A 47 26.085 11.934 -11.558 0.50 29.67 H new ATOM 0 HG BCYS A 47 28.045 11.784 -10.398 0.50 29.67 H new ATOM 433 N VAL A 48 29.492 16.093 -11.707 1.00 22.86 N ATOM 434 CA VAL A 48 30.618 16.821 -11.120 1.00 23.55 C ATOM 435 C VAL A 48 30.343 17.078 -9.630 1.00 25.87 C ATOM 436 O VAL A 48 29.334 17.708 -9.263 1.00 25.50 O ATOM 437 CB VAL A 48 30.873 18.168 -11.833 1.00 24.05 C ATOM 438 CG1 VAL A 48 32.079 18.883 -11.228 1.00 24.68 C ATOM 439 CG2 VAL A 48 31.084 17.979 -13.330 1.00 23.96 C ATOM 0 H AVAL A 48 28.726 16.420 -11.492 0.50 22.86 H new ATOM 0 H BVAL A 48 28.723 16.399 -11.472 0.50 22.86 H new ATOM 0 HA VAL A 48 31.411 16.273 -11.228 1.00 23.55 H new ATOM 0 HB VAL A 48 30.082 18.715 -11.704 1.00 24.05 H new ATOM 0 HG11 VAL A 48 32.221 19.724 -11.689 1.00 24.68 H new ATOM 0 HG12 VAL A 48 31.916 19.054 -10.287 1.00 24.68 H new ATOM 0 HG13 VAL A 48 32.867 18.326 -11.323 1.00 24.68 H new ATOM 0 HG21 VAL A 48 31.241 18.841 -13.746 1.00 23.96 H new ATOM 0 HG22 VAL A 48 31.851 17.404 -13.479 1.00 23.96 H new ATOM 0 HG23 VAL A 48 30.295 17.571 -13.719 1.00 23.96 H new ATOM 440 N ASN A 49 31.230 16.572 -8.780 1.00 27.84 N ATOM 441 CA ASN A 49 31.124 16.731 -7.326 1.00 31.40 C ATOM 442 C ASN A 49 29.765 16.355 -6.729 1.00 32.62 C ATOM 443 O ASN A 49 29.164 17.163 -6.000 1.00 33.33 O ATOM 444 CB ASN A 49 31.497 18.172 -6.923 1.00 33.41 C ATOM 445 CG ASN A 49 32.991 18.347 -6.730 1.00 36.45 C ATOM 446 OD1 ASN A 49 33.784 17.423 -6.974 1.00 37.85 O ATOM 447 ND2 ASN A 49 33.383 19.518 -6.266 1.00 37.59 N ATOM 0 H ASN A 49 31.919 16.122 -9.030 1.00 27.84 H new ATOM 0 HA ASN A 49 31.753 16.094 -6.953 1.00 31.40 H new ATOM 0 HB2 ASN A 49 31.187 18.787 -7.606 1.00 33.41 H new ATOM 0 HB3 ASN A 49 31.037 18.405 -6.101 1.00 33.41 H new ATOM 0 HD21 ASN A 49 34.218 19.665 -6.121 1.00 37.59 H new ATOM 0 HD22 ASN A 49 32.804 20.134 -6.109 1.00 37.59 H new ATOM 448 N GLY A 50 29.268 15.157 -7.055 1.00 28.15 N ATOM 449 CA GLY A 50 27.998 14.686 -6.494 1.00 25.47 C ATOM 450 C GLY A 50 26.750 15.298 -7.107 1.00 24.99 C ATOM 451 O GLY A 50 25.636 14.937 -6.729 1.00 24.59 O ATOM 0 H GLY A 50 29.648 14.606 -7.595 1.00 28.15 H new ATOM 0 HA2 GLY A 50 27.953 13.723 -6.599 1.00 25.47 H new ATOM 0 HA3 GLY A 50 27.995 14.868 -5.541 1.00 25.47 H new ATOM 452 N VAL A 51 26.925 16.207 -8.065 1.00 23.21 N ATOM 453 CA VAL A 51 25.787 16.819 -8.759 1.00 21.62 C ATOM 454 C VAL A 51 25.756 16.461 -10.254 1.00 21.17 C ATOM 455 O VAL A 51 26.778 16.542 -10.966 1.00 20.54 O ATOM 456 CB VAL A 51 25.739 18.356 -8.579 1.00 21.77 C ATOM 457 CG1 VAL A 51 24.515 18.952 -9.282 1.00 19.95 C ATOM 458 CG2 VAL A 51 25.698 18.713 -7.086 1.00 22.85 C ATOM 0 H VAL A 51 27.695 16.485 -8.330 1.00 23.21 H new ATOM 0 HA VAL A 51 24.996 16.445 -8.341 1.00 21.62 H new ATOM 0 HB VAL A 51 26.540 18.730 -8.979 1.00 21.77 H new ATOM 0 HG11 VAL A 51 24.506 19.914 -9.156 1.00 19.95 H new ATOM 0 HG12 VAL A 51 24.556 18.751 -10.230 1.00 19.95 H new ATOM 0 HG13 VAL A 51 23.707 18.569 -8.906 1.00 19.95 H new ATOM 0 HG21 VAL A 51 25.668 19.677 -6.984 1.00 22.85 H new ATOM 0 HG22 VAL A 51 24.909 18.321 -6.681 1.00 22.85 H new ATOM 0 HG23 VAL A 51 26.491 18.367 -6.648 1.00 22.85 H new ATOM 459 N ACYS A 52 24.572 16.084 -10.713 0.50 19.83 N ATOM 460 CA ACYS A 52 24.317 15.813 -12.109 0.50 18.81 C ATOM 461 C ACYS A 52 23.853 17.092 -12.802 0.50 18.88 C ATOM 462 O ACYS A 52 22.713 17.536 -12.603 0.50 19.14 O ATOM 463 CB ACYS A 52 23.244 14.736 -12.210 0.50 18.75 C ATOM 464 SG ACYS A 52 22.878 14.239 -13.892 0.50 18.83 S ATOM 465 N BCYS A 52 24.581 16.045 -10.717 0.50 21.19 N ATOM 466 CA BCYS A 52 24.331 15.827 -12.134 0.50 20.87 C ATOM 467 C BCYS A 52 23.860 17.107 -12.794 0.50 20.12 C ATOM 468 O BCYS A 52 22.728 17.556 -12.577 0.50 20.25 O ATOM 469 CB BCYS A 52 23.291 14.731 -12.338 0.50 22.74 C ATOM 470 SG BCYS A 52 24.040 13.115 -12.593 0.50 27.90 S ATOM 0 H ACYS A 52 23.884 15.978 -10.209 0.50 21.19 H new ATOM 0 H BCYS A 52 23.904 15.881 -10.213 0.50 21.19 H new ATOM 0 HA ACYS A 52 25.127 15.503 -12.543 0.50 20.87 H new ATOM 0 HA BCYS A 52 25.164 15.547 -12.544 0.50 20.87 H new ATOM 0 HB2ACYS A 52 23.530 13.958 -11.706 0.50 22.74 H new ATOM 0 HB2BCYS A 52 22.706 14.695 -11.565 0.50 22.74 H new ATOM 0 HB3ACYS A 52 22.431 15.061 -11.793 0.50 22.74 H new ATOM 0 HB3BCYS A 52 22.737 14.952 -13.103 0.50 22.74 H new ATOM 0 HG ACYS A 52 22.029 13.391 -13.883 0.50 27.90 H new ATOM 0 HG BCYS A 52 23.178 12.294 -12.745 0.50 27.90 H new ATOM 471 N TRP A 53 24.723 17.677 -13.624 1.00 17.94 N ATOM 472 CA TRP A 53 24.446 18.970 -14.222 1.00 17.50 C ATOM 473 C TRP A 53 24.045 18.865 -15.650 1.00 16.92 C ATOM 474 O TRP A 53 24.611 18.066 -16.397 1.00 15.77 O ATOM 475 CB TRP A 53 25.684 19.850 -14.168 1.00 17.63 C ATOM 476 CG TRP A 53 26.208 20.181 -12.775 1.00 18.88 C ATOM 477 CD1 TRP A 53 27.254 19.570 -12.084 1.00 19.84 C ATOM 478 CD2 TRP A 53 25.727 21.232 -11.873 1.00 19.76 C ATOM 479 NE1 TRP A 53 27.438 20.157 -10.842 1.00 19.81 N ATOM 480 CE2 TRP A 53 26.570 21.164 -10.665 1.00 20.78 C ATOM 481 CE3 TRP A 53 24.718 22.188 -11.939 1.00 19.72 C ATOM 482 CZ2 TRP A 53 26.379 22.022 -9.584 1.00 21.21 C ATOM 483 CZ3 TRP A 53 24.543 23.048 -10.849 1.00 20.62 C ATOM 484 CH2 TRP A 53 25.352 22.964 -9.704 1.00 20.89 C ATOM 0 H ATRP A 53 25.481 17.336 -13.846 0.50 17.94 H new ATOM 0 H BTRP A 53 25.476 17.329 -13.853 0.50 17.94 H new ATOM 0 HA TRP A 53 23.714 19.351 -13.712 1.00 17.50 H new ATOM 0 HB2 TRP A 53 26.392 19.412 -14.665 1.00 17.63 H new ATOM 0 HB3 TRP A 53 25.488 20.682 -14.627 1.00 17.63 H new ATOM 0 HD1 TRP A 53 27.761 18.863 -12.413 1.00 19.84 H new ATOM 0 HE1 TRP A 53 28.026 19.910 -10.265 1.00 19.81 H new ATOM 0 HE3 TRP A 53 24.173 22.254 -12.690 1.00 19.72 H new ATOM 0 HZ2 TRP A 53 26.908 21.971 -8.821 1.00 21.21 H new ATOM 0 HZ3 TRP A 53 23.873 23.692 -10.884 1.00 20.62 H new ATOM 0 HH2 TRP A 53 25.200 23.555 -9.002 1.00 20.89 H new ATOM 485 N THR A 54 23.125 19.734 -16.070 1.00 16.26 N ATOM 486 CA THR A 54 22.808 19.837 -17.480 1.00 16.43 C ATOM 487 C THR A 54 22.340 21.228 -17.856 1.00 16.03 C ATOM 488 O THR A 54 22.384 22.156 -17.050 1.00 15.29 O ATOM 489 CB THR A 54 21.775 18.765 -17.921 1.00 17.15 C ATOM 490 OG1 THR A 54 21.710 18.753 -19.352 1.00 16.70 O ATOM 491 CG2 THR A 54 20.377 19.063 -17.346 1.00 16.23 C ATOM 0 H THR A 54 22.682 20.263 -15.557 1.00 16.26 H new ATOM 0 HA THR A 54 23.633 19.666 -17.961 1.00 16.43 H new ATOM 0 HB THR A 54 22.059 17.901 -17.584 1.00 17.15 H new ATOM 0 HG1 THR A 54 22.204 18.142 -19.650 1.00 16.70 H new ATOM 0 HG21 THR A 54 19.754 18.379 -17.637 1.00 16.23 H new ATOM 0 HG22 THR A 54 20.420 19.069 -16.377 1.00 16.23 H new ATOM 0 HG23 THR A 54 20.075 19.929 -17.661 1.00 16.23 H new ATOM 492 N VAL A 55 21.896 21.367 -19.094 1.00 15.82 N ATOM 493 CA VAL A 55 21.457 22.662 -19.582 1.00 16.89 C ATOM 494 C VAL A 55 19.988 22.931 -19.271 1.00 17.82 C ATOM 495 O VAL A 55 19.115 22.074 -19.492 1.00 17.46 O ATOM 496 CB VAL A 55 21.716 22.832 -21.107 1.00 16.10 C ATOM 497 CG1 VAL A 55 23.196 23.028 -21.365 1.00 16.00 C ATOM 498 CG2 VAL A 55 21.188 21.641 -21.917 1.00 14.60 C ATOM 0 H VAL A 55 21.841 20.727 -19.666 1.00 15.82 H new ATOM 0 HA VAL A 55 21.991 23.317 -19.106 1.00 16.89 H new ATOM 0 HB VAL A 55 21.231 23.619 -21.400 1.00 16.10 H new ATOM 0 HG11 VAL A 55 23.348 23.133 -22.317 1.00 16.00 H new ATOM 0 HG12 VAL A 55 23.503 23.822 -20.900 1.00 16.00 H new ATOM 0 HG13 VAL A 55 23.686 22.255 -21.043 1.00 16.00 H new ATOM 0 HG21 VAL A 55 21.368 21.785 -22.859 1.00 14.60 H new ATOM 0 HG22 VAL A 55 21.630 20.829 -21.624 1.00 14.60 H new ATOM 0 HG23 VAL A 55 20.231 21.555 -21.781 1.00 14.60 H new ATOM 499 N TYR A 56 19.719 24.149 -18.818 1.00 19.61 N ATOM 500 CA TYR A 56 18.361 24.589 -18.640 1.00 20.97 C ATOM 501 C TYR A 56 17.527 24.468 -19.920 1.00 22.36 C ATOM 502 O TYR A 56 16.357 24.057 -19.860 1.00 21.98 O ATOM 503 CB TYR A 56 18.323 26.021 -18.100 1.00 23.98 C ATOM 504 CG TYR A 56 16.907 26.493 -17.831 1.00 26.03 C ATOM 505 CD1 TYR A 56 16.215 26.041 -16.701 1.00 26.83 C ATOM 506 CD2 TYR A 56 16.246 27.346 -18.717 1.00 27.56 C ATOM 507 CE1 TYR A 56 14.923 26.443 -16.437 1.00 27.47 C ATOM 508 CE2 TYR A 56 14.935 27.749 -18.472 1.00 30.14 C ATOM 509 CZ TYR A 56 14.288 27.289 -17.319 1.00 31.12 C ATOM 510 OH TYR A 56 12.999 27.660 -17.023 1.00 35.07 O ATOM 0 H TYR A 56 20.316 24.732 -18.610 1.00 19.61 H new ATOM 0 HA TYR A 56 17.957 23.996 -17.987 1.00 20.97 H new ATOM 0 HB2 TYR A 56 18.840 26.070 -17.281 1.00 23.98 H new ATOM 0 HB3 TYR A 56 18.745 26.617 -18.738 1.00 23.98 H new ATOM 0 HD1 TYR A 56 16.637 25.456 -16.114 1.00 26.83 H new ATOM 0 HD2 TYR A 56 16.686 27.648 -19.479 1.00 27.56 H new ATOM 0 HE1 TYR A 56 14.485 26.146 -15.672 1.00 27.47 H new ATOM 0 HE2 TYR A 56 14.496 28.315 -19.065 1.00 30.14 H new ATOM 0 HH TYR A 56 12.710 28.173 -17.622 1.00 35.07 H new ATOM 511 N HIS A 57 18.099 24.797 -21.086 1.00 22.46 N ATOM 512 CA HIS A 57 17.264 24.818 -22.321 1.00 22.63 C ATOM 513 C HIS A 57 16.910 23.422 -22.744 1.00 20.75 C ATOM 514 O HIS A 57 16.033 23.222 -23.586 1.00 20.68 O ATOM 515 CB HIS A 57 17.898 25.624 -23.467 1.00 23.81 C ATOM 516 CG HIS A 57 19.143 24.989 -24.058 1.00 25.24 C ATOM 517 ND1 HIS A 57 20.389 25.279 -23.615 1.00 28.37 N ATOM 518 CD2 HIS A 57 19.306 24.070 -25.104 1.00 26.78 C ATOM 519 CE1 HIS A 57 21.303 24.583 -24.342 1.00 26.34 C ATOM 520 NE2 HIS A 57 20.640 23.848 -25.248 1.00 26.29 N ATOM 0 H HIS A 57 18.927 25.003 -21.193 1.00 22.46 H new ATOM 0 HA HIS A 57 16.444 25.286 -22.100 1.00 22.63 H new ATOM 0 HB2 HIS A 57 17.240 25.739 -24.171 1.00 23.81 H new ATOM 0 HB3 HIS A 57 18.122 26.510 -23.141 1.00 23.81 H new ATOM 0 HD1 HIS A 57 20.574 25.820 -22.973 1.00 28.37 H new ATOM 0 HD2 HIS A 57 18.626 23.683 -25.607 1.00 26.78 H new ATOM 0 HE1 HIS A 57 22.226 24.611 -24.231 1.00 26.34 H new ATOM 521 N GLY A 58 17.563 22.442 -22.122 1.00 20.58 N ATOM 522 CA GLY A 58 17.218 21.019 -22.293 1.00 19.17 C ATOM 523 C GLY A 58 16.270 20.508 -21.211 1.00 18.82 C ATOM 524 O GLY A 58 15.258 19.897 -21.521 1.00 19.30 O ATOM 0 H GLY A 58 18.222 22.578 -21.586 1.00 20.58 H new ATOM 0 HA2 GLY A 58 16.808 20.892 -23.163 1.00 19.17 H new ATOM 0 HA3 GLY A 58 18.031 20.490 -22.282 1.00 19.17 H new ATOM 525 N ALA A 59 16.593 20.748 -19.939 1.00 18.94 N ATOM 526 CA ALA A 59 15.851 20.118 -18.838 1.00 19.17 C ATOM 527 C ALA A 59 14.720 20.982 -18.260 1.00 20.43 C ATOM 528 O ALA A 59 13.849 20.469 -17.534 1.00 20.31 O ATOM 529 CB ALA A 59 16.802 19.699 -17.729 1.00 18.62 C ATOM 0 H ALA A 59 17.232 21.267 -19.691 1.00 18.94 H new ATOM 0 HA ALA A 59 15.422 19.340 -19.226 1.00 19.17 H new ATOM 0 HB1 ALA A 59 16.299 19.285 -17.010 1.00 18.62 H new ATOM 0 HB2 ALA A 59 17.447 19.065 -18.078 1.00 18.62 H new ATOM 0 HB3 ALA A 59 17.268 20.479 -17.390 1.00 18.62 H new ATOM 530 N GLY A 60 14.746 22.281 -18.574 1.00 19.17 N ATOM 531 CA GLY A 60 13.868 23.252 -17.951 1.00 19.66 C ATOM 532 C GLY A 60 13.941 23.043 -16.443 1.00 20.85 C ATOM 533 O GLY A 60 15.021 22.860 -15.870 1.00 20.11 O ATOM 0 H GLY A 60 15.280 22.617 -19.159 1.00 19.17 H new ATOM 0 HA2 GLY A 60 14.139 24.154 -18.183 1.00 19.66 H new ATOM 0 HA3 GLY A 60 12.958 23.139 -18.266 1.00 19.66 H new ATOM 534 N SER A 61 12.780 23.000 -15.801 1.00 20.45 N ATOM 535 CA SER A 61 12.737 22.875 -14.350 1.00 20.79 C ATOM 536 C SER A 61 12.263 21.486 -13.900 1.00 19.98 C ATOM 537 O SER A 61 11.812 21.303 -12.756 1.00 19.43 O ATOM 538 CB SER A 61 11.807 23.949 -13.834 1.00 22.29 C ATOM 539 OG SER A 61 10.591 23.793 -14.507 1.00 24.04 O ATOM 0 H SER A 61 12.011 23.041 -16.183 1.00 20.45 H new ATOM 0 HA SER A 61 13.631 22.983 -13.989 1.00 20.79 H new ATOM 0 HB2 SER A 61 11.683 23.864 -12.876 1.00 22.29 H new ATOM 0 HB3 SER A 61 12.178 24.831 -13.995 1.00 22.29 H new ATOM 0 HG SER A 61 10.047 24.376 -14.242 1.00 24.04 H new ATOM 540 N LYS A 62 12.398 20.512 -14.800 1.00 18.82 N ATOM 541 CA LYS A 62 11.865 19.159 -14.626 1.00 17.98 C ATOM 542 C LYS A 62 12.593 18.361 -13.577 1.00 18.03 C ATOM 543 O LYS A 62 13.780 18.573 -13.327 1.00 18.18 O ATOM 544 CB LYS A 62 11.975 18.382 -15.933 1.00 19.11 C ATOM 545 CG LYS A 62 11.035 18.870 -17.021 1.00 19.48 C ATOM 546 CD LYS A 62 11.316 18.156 -18.335 1.00 20.44 C ATOM 547 CE LYS A 62 10.142 18.329 -19.287 1.00 22.53 C ATOM 548 NZ LYS A 62 10.106 19.748 -19.721 1.00 25.59 N ATOM 0 H LYS A 62 12.812 20.622 -15.546 1.00 18.82 H new ATOM 0 HA LYS A 62 10.944 19.275 -14.346 1.00 17.98 H new ATOM 0 HB2 LYS A 62 12.888 18.439 -16.257 1.00 19.11 H new ATOM 0 HB3 LYS A 62 11.794 17.445 -15.758 1.00 19.11 H new ATOM 0 HG2 LYS A 62 10.115 18.715 -16.754 1.00 19.48 H new ATOM 0 HG3 LYS A 62 11.139 19.827 -17.139 1.00 19.48 H new ATOM 0 HD2 LYS A 62 12.123 18.512 -18.738 1.00 20.44 H new ATOM 0 HD3 LYS A 62 11.472 17.213 -18.172 1.00 20.44 H new ATOM 0 HE2 LYS A 62 10.238 17.743 -20.054 1.00 22.53 H new ATOM 0 HE3 LYS A 62 9.311 18.088 -18.848 1.00 22.53 H new ATOM 0 HZ1 LYS A 62 9.424 19.870 -20.280 1.00 25.59 H new ATOM 0 HZ2 LYS A 62 10.004 20.274 -19.010 1.00 25.59 H new ATOM 0 HZ3 LYS A 62 10.868 19.952 -20.134 1.00 25.59 H new ATOM 549 N THR A 63 11.874 17.420 -12.984 1.00 16.90 N ATOM 550 CA THR A 63 12.480 16.408 -12.142 1.00 16.69 C ATOM 551 C THR A 63 13.266 15.397 -12.988 1.00 16.22 C ATOM 552 O THR A 63 13.058 15.265 -14.185 1.00 15.91 O ATOM 553 CB THR A 63 11.386 15.606 -11.388 1.00 16.38 C ATOM 554 OG1 THR A 63 10.280 15.394 -12.280 1.00 17.80 O ATOM 555 CG2 THR A 63 10.897 16.372 -10.189 1.00 16.32 C ATOM 0 H THR A 63 11.020 17.352 -13.060 1.00 16.90 H new ATOM 0 HA THR A 63 13.067 16.867 -11.521 1.00 16.69 H new ATOM 0 HB THR A 63 11.761 14.762 -11.090 1.00 16.38 H new ATOM 0 HG1 THR A 63 10.352 14.639 -12.642 1.00 17.80 H new ATOM 0 HG21 THR A 63 10.215 15.856 -9.731 1.00 16.32 H new ATOM 0 HG22 THR A 63 11.638 16.535 -9.585 1.00 16.32 H new ATOM 0 HG23 THR A 63 10.522 17.219 -10.477 1.00 16.32 H new ATOM 556 N LEU A 64 14.152 14.673 -12.327 1.00 16.84 N ATOM 557 CA LEU A 64 14.861 13.570 -12.951 1.00 16.70 C ATOM 558 C LEU A 64 14.226 12.308 -12.391 1.00 16.44 C ATOM 559 O LEU A 64 14.095 12.186 -11.184 1.00 15.38 O ATOM 560 CB LEU A 64 16.343 13.642 -12.563 1.00 16.03 C ATOM 561 CG LEU A 64 17.341 12.618 -13.131 1.00 16.43 C ATOM 562 CD1 LEU A 64 17.546 12.768 -14.635 1.00 14.94 C ATOM 563 CD2 LEU A 64 18.666 12.766 -12.390 1.00 15.31 C ATOM 0 H LEU A 64 14.360 14.806 -11.503 1.00 16.84 H new ATOM 0 HA LEU A 64 14.806 13.592 -13.919 1.00 16.70 H new ATOM 0 HB2 LEU A 64 16.663 14.524 -12.811 1.00 16.03 H new ATOM 0 HB3 LEU A 64 16.390 13.584 -11.596 1.00 16.03 H new ATOM 0 HG LEU A 64 16.975 11.730 -12.996 1.00 16.43 H new ATOM 0 HD11 LEU A 64 18.181 12.103 -14.943 1.00 14.94 H new ATOM 0 HD12 LEU A 64 16.699 12.642 -15.091 1.00 14.94 H new ATOM 0 HD13 LEU A 64 17.888 13.655 -14.828 1.00 14.94 H new ATOM 0 HD21 LEU A 64 19.305 12.125 -12.739 1.00 15.31 H new ATOM 0 HD22 LEU A 64 19.008 13.665 -12.515 1.00 15.31 H new ATOM 0 HD23 LEU A 64 18.528 12.602 -11.444 1.00 15.31 H new ATOM 564 N ALA A 65 13.809 11.385 -13.259 1.00 16.44 N ATOM 565 CA ALA A 65 13.313 10.084 -12.791 1.00 16.53 C ATOM 566 C ALA A 65 14.364 9.330 -11.967 1.00 16.82 C ATOM 567 O ALA A 65 15.504 9.258 -12.361 1.00 17.83 O ATOM 568 CB ALA A 65 12.832 9.238 -13.970 1.00 15.89 C ATOM 0 H ALA A 65 13.804 11.488 -14.113 1.00 16.44 H new ATOM 0 HA ALA A 65 12.560 10.253 -12.204 1.00 16.53 H new ATOM 0 HB1 ALA A 65 12.508 8.384 -13.645 1.00 15.89 H new ATOM 0 HB2 ALA A 65 12.114 9.701 -14.430 1.00 15.89 H new ATOM 0 HB3 ALA A 65 13.568 9.092 -14.585 1.00 15.89 H new ATOM 569 N GLY A 66 13.980 8.775 -10.816 1.00 18.24 N ATOM 570 CA GLY A 66 14.946 8.155 -9.876 1.00 17.93 C ATOM 571 C GLY A 66 14.351 6.917 -9.238 1.00 18.71 C ATOM 572 O GLY A 66 13.176 6.653 -9.422 1.00 17.35 O ATOM 0 H GLY A 66 13.162 8.743 -10.552 1.00 18.24 H new ATOM 0 HA2 GLY A 66 15.760 7.922 -10.349 1.00 17.93 H new ATOM 0 HA3 GLY A 66 15.191 8.794 -9.188 1.00 17.93 H new ATOM 573 N PRO A 67 15.160 6.129 -8.505 1.00 20.86 N ATOM 574 CA PRO A 67 14.649 4.878 -7.922 1.00 22.30 C ATOM 575 C PRO A 67 13.541 5.092 -6.878 1.00 24.48 C ATOM 576 O PRO A 67 12.687 4.212 -6.689 1.00 26.48 O ATOM 577 CB PRO A 67 15.894 4.225 -7.297 1.00 23.48 C ATOM 578 CG PRO A 67 16.933 5.299 -7.210 1.00 22.55 C ATOM 579 CD PRO A 67 16.608 6.314 -8.275 1.00 22.11 C ATOM 0 HA PRO A 67 14.223 4.326 -8.596 1.00 22.30 H new ATOM 0 HB2 PRO A 67 15.693 3.867 -6.418 1.00 23.48 H new ATOM 0 HB3 PRO A 67 16.206 3.485 -7.841 1.00 23.48 H new ATOM 0 HG2 PRO A 67 16.929 5.710 -6.331 1.00 22.55 H new ATOM 0 HG3 PRO A 67 17.820 4.930 -7.346 1.00 22.55 H new ATOM 0 HD2 PRO A 67 16.810 7.216 -7.981 1.00 22.11 H new ATOM 0 HD3 PRO A 67 17.120 6.158 -9.084 1.00 22.11 H new ATOM 580 N LYS A 68 13.518 6.262 -6.245 1.00 24.63 N ATOM 581 CA LYS A 68 12.529 6.526 -5.215 1.00 26.39 C ATOM 582 C LYS A 68 11.491 7.513 -5.692 1.00 26.04 C ATOM 583 O LYS A 68 10.782 8.073 -4.895 1.00 29.34 O ATOM 584 CB LYS A 68 13.206 6.972 -3.892 1.00 27.85 C ATOM 585 CG LYS A 68 13.936 5.810 -3.223 1.00 29.34 C ATOM 586 CD LYS A 68 14.637 6.185 -1.930 1.00 32.61 C ATOM 587 CE LYS A 68 15.138 4.914 -1.262 1.00 35.54 C ATOM 588 NZ LYS A 68 15.887 5.166 -0.003 1.00 34.06 N ATOM 0 H LYS A 68 14.063 6.909 -6.398 1.00 24.63 H new ATOM 0 HA LYS A 68 12.060 5.698 -5.027 1.00 26.39 H new ATOM 0 HB2 LYS A 68 13.833 7.689 -4.073 1.00 27.85 H new ATOM 0 HB3 LYS A 68 12.536 7.327 -3.287 1.00 27.85 H new ATOM 0 HG2 LYS A 68 13.299 5.101 -3.041 1.00 29.34 H new ATOM 0 HG3 LYS A 68 14.590 5.451 -3.843 1.00 29.34 H new ATOM 0 HD2 LYS A 68 15.378 6.785 -2.111 1.00 32.61 H new ATOM 0 HD3 LYS A 68 14.027 6.657 -1.341 1.00 32.61 H new ATOM 0 HE2 LYS A 68 14.382 4.337 -1.071 1.00 35.54 H new ATOM 0 HE3 LYS A 68 15.711 4.435 -1.881 1.00 35.54 H new ATOM 0 HZ1 LYS A 68 16.155 4.391 0.343 1.00 34.06 H new ATOM 0 HZ2 LYS A 68 16.597 5.675 -0.176 1.00 34.06 H new ATOM 0 HZ3 LYS A 68 15.358 5.583 0.579 1.00 34.06 H new ATOM 589 N GLY A 69 11.408 7.713 -7.004 1.00 24.61 N ATOM 590 CA GLY A 69 10.494 8.669 -7.580 1.00 20.85 C ATOM 591 C GLY A 69 11.255 9.865 -8.118 1.00 21.34 C ATOM 592 O GLY A 69 12.485 9.935 -8.033 1.00 20.98 O ATOM 0 H GLY A 69 11.886 7.292 -7.581 1.00 24.61 H new ATOM 0 HA2 GLY A 69 9.987 8.252 -8.294 1.00 20.85 H new ATOM 0 HA3 GLY A 69 9.855 8.959 -6.911 1.00 20.85 H new ATOM 593 N PRO A 70 10.529 10.829 -8.683 1.00 21.50 N ATOM 594 CA PRO A 70 11.239 11.945 -9.332 1.00 20.96 C ATOM 595 C PRO A 70 12.095 12.759 -8.364 1.00 20.69 C ATOM 596 O PRO A 70 11.679 13.017 -7.233 1.00 22.75 O ATOM 597 CB PRO A 70 10.114 12.780 -9.961 1.00 21.56 C ATOM 598 CG PRO A 70 8.843 12.297 -9.370 1.00 21.52 C ATOM 599 CD PRO A 70 9.056 10.945 -8.753 1.00 20.06 C ATOM 0 HA PRO A 70 11.883 11.631 -9.986 1.00 20.96 H new ATOM 0 HB2 PRO A 70 10.242 13.724 -9.778 1.00 21.56 H new ATOM 0 HB3 PRO A 70 10.106 12.677 -10.925 1.00 21.56 H new ATOM 0 HG2 PRO A 70 8.529 12.923 -8.699 1.00 21.52 H new ATOM 0 HG3 PRO A 70 8.157 12.246 -10.053 1.00 21.52 H new ATOM 0 HD2 PRO A 70 8.650 10.885 -7.874 1.00 20.06 H new ATOM 0 HD3 PRO A 70 8.667 10.240 -9.294 1.00 20.06 H new ATOM 600 N ILE A 71 13.301 13.105 -8.805 1.00 20.23 N ATOM 601 CA ILE A 71 14.279 13.875 -8.025 1.00 20.28 C ATOM 602 C ILE A 71 14.145 15.369 -8.359 1.00 19.70 C ATOM 603 O ILE A 71 14.273 15.769 -9.522 1.00 18.68 O ATOM 604 CB ILE A 71 15.716 13.391 -8.339 1.00 21.17 C ATOM 605 CG1 ILE A 71 15.836 11.885 -8.007 1.00 21.85 C ATOM 606 CG2 ILE A 71 16.771 14.218 -7.582 1.00 21.31 C ATOM 607 CD1 ILE A 71 16.921 11.159 -8.791 1.00 20.40 C ATOM 0 H ILE A 71 13.585 12.894 -9.589 1.00 20.23 H new ATOM 0 HA ILE A 71 14.105 13.740 -7.080 1.00 20.28 H new ATOM 0 HB ILE A 71 15.888 13.520 -9.285 1.00 21.17 H new ATOM 0 HG12 ILE A 71 16.015 11.786 -7.059 1.00 21.85 H new ATOM 0 HG13 ILE A 71 14.983 11.457 -8.181 1.00 21.85 H new ATOM 0 HG21 ILE A 71 17.657 13.890 -7.800 1.00 21.31 H new ATOM 0 HG22 ILE A 71 16.699 15.150 -7.841 1.00 21.31 H new ATOM 0 HG23 ILE A 71 16.623 14.136 -6.627 1.00 21.31 H new ATOM 0 HD11 ILE A 71 16.938 10.224 -8.532 1.00 20.40 H new ATOM 0 HD12 ILE A 71 16.735 11.227 -9.741 1.00 20.40 H new ATOM 0 HD13 ILE A 71 17.783 11.562 -8.601 1.00 20.40 H new ATOM 608 N THR A 72 13.864 16.189 -7.348 1.00 19.04 N ATOM 609 CA THR A 72 13.746 17.647 -7.559 1.00 18.56 C ATOM 610 C THR A 72 15.130 18.222 -7.847 1.00 17.67 C ATOM 611 O THR A 72 16.118 17.792 -7.244 1.00 17.26 O ATOM 612 CB THR A 72 13.129 18.345 -6.309 1.00 18.95 C ATOM 613 OG1 THR A 72 11.767 17.898 -6.141 1.00 19.71 O ATOM 614 CG2 THR A 72 13.146 19.884 -6.454 1.00 19.13 C ATOM 0 H THR A 72 13.738 15.932 -6.537 1.00 19.04 H new ATOM 0 HA THR A 72 13.157 17.809 -8.313 1.00 18.56 H new ATOM 0 HB THR A 72 13.663 18.108 -5.534 1.00 18.95 H new ATOM 0 HG1 THR A 72 11.533 18.007 -5.342 1.00 19.71 H new ATOM 0 HG21 THR A 72 12.757 20.288 -5.663 1.00 19.13 H new ATOM 0 HG22 THR A 72 14.061 20.190 -6.556 1.00 19.13 H new ATOM 0 HG23 THR A 72 12.631 20.141 -7.235 1.00 19.13 H new ATOM 615 N GLN A 73 15.205 19.175 -8.761 1.00 17.80 N ATOM 616 CA GLN A 73 16.463 19.879 -9.006 1.00 19.37 C ATOM 617 C GLN A 73 16.959 20.510 -7.705 1.00 21.59 C ATOM 618 O GLN A 73 16.201 21.142 -6.972 1.00 21.66 O ATOM 619 CB GLN A 73 16.283 20.975 -10.068 1.00 17.33 C ATOM 620 CG GLN A 73 15.966 20.449 -11.464 1.00 16.29 C ATOM 621 CD GLN A 73 15.843 21.533 -12.501 1.00 16.69 C ATOM 622 OE1 GLN A 73 16.158 22.699 -12.251 1.00 17.02 O ATOM 623 NE2 GLN A 73 15.398 21.156 -13.686 1.00 16.94 N ATOM 0 H GLN A 73 14.546 19.432 -9.250 1.00 17.80 H new ATOM 0 HA GLN A 73 17.113 19.237 -9.332 1.00 19.37 H new ATOM 0 HB2 GLN A 73 15.569 21.569 -9.787 1.00 17.33 H new ATOM 0 HB3 GLN A 73 17.093 21.506 -10.110 1.00 17.33 H new ATOM 0 HG2 GLN A 73 16.662 19.830 -11.734 1.00 16.29 H new ATOM 0 HG3 GLN A 73 15.137 19.947 -11.432 1.00 16.29 H new ATOM 0 HE21 GLN A 73 15.188 20.334 -13.825 1.00 16.94 H new ATOM 0 HE22 GLN A 73 15.319 21.733 -14.319 1.00 16.94 H new ATOM 624 N MET A 74 18.233 20.325 -7.434 1.00 23.85 N ATOM 625 CA MET A 74 18.878 20.924 -6.293 1.00 27.25 C ATOM 626 C MET A 74 19.269 22.367 -6.656 1.00 26.84 C ATOM 627 O MET A 74 19.319 23.225 -5.800 1.00 26.07 O ATOM 628 CB MET A 74 20.095 20.085 -5.972 1.00 31.41 C ATOM 629 CG MET A 74 20.854 20.411 -4.709 1.00 38.88 C ATOM 630 SD MET A 74 22.157 19.154 -4.590 1.00 52.44 S ATOM 631 CE MET A 74 21.356 17.928 -3.552 1.00 46.60 C ATOM 0 H MET A 74 18.755 19.840 -7.916 1.00 23.85 H new ATOM 0 HA MET A 74 18.297 20.955 -5.517 1.00 27.25 H new ATOM 0 HB2 MET A 74 19.814 19.158 -5.921 1.00 31.41 H new ATOM 0 HB3 MET A 74 20.711 20.154 -6.718 1.00 31.41 H new ATOM 0 HG2 MET A 74 21.232 21.303 -4.749 1.00 38.88 H new ATOM 0 HG3 MET A 74 20.271 20.384 -3.934 1.00 38.88 H new ATOM 0 HE1 MET A 74 21.883 17.113 -3.548 1.00 46.60 H new ATOM 0 HE2 MET A 74 21.281 18.269 -2.647 1.00 46.60 H new ATOM 0 HE3 MET A 74 20.471 17.738 -3.900 1.00 46.60 H new ATOM 632 N TYR A 75 19.538 22.620 -7.936 1.00 26.61 N ATOM 633 CA TYR A 75 20.007 23.919 -8.396 1.00 27.13 C ATOM 634 C TYR A 75 19.354 24.265 -9.714 1.00 26.78 C ATOM 635 O TYR A 75 19.303 23.437 -10.612 1.00 26.37 O ATOM 636 CB TYR A 75 21.516 23.908 -8.579 1.00 30.78 C ATOM 637 CG TYR A 75 22.290 23.534 -7.341 1.00 34.57 C ATOM 638 CD1 TYR A 75 22.367 24.419 -6.248 1.00 35.65 C ATOM 639 CD2 TYR A 75 22.948 22.308 -7.254 1.00 34.07 C ATOM 640 CE1 TYR A 75 23.095 24.094 -5.117 1.00 36.18 C ATOM 641 CE2 TYR A 75 23.671 21.973 -6.120 1.00 38.80 C ATOM 642 CZ TYR A 75 23.739 22.866 -5.053 1.00 37.84 C ATOM 643 OH TYR A 75 24.454 22.536 -3.922 1.00 39.89 O ATOM 0 H TYR A 75 19.452 22.038 -8.563 1.00 26.61 H new ATOM 0 HA TYR A 75 19.772 24.581 -7.728 1.00 27.13 H new ATOM 0 HB2 TYR A 75 21.740 23.285 -9.288 1.00 30.78 H new ATOM 0 HB3 TYR A 75 21.802 24.787 -8.873 1.00 30.78 H new ATOM 0 HD1 TYR A 75 21.922 25.234 -6.287 1.00 35.65 H new ATOM 0 HD2 TYR A 75 22.901 21.709 -7.964 1.00 34.07 H new ATOM 0 HE1 TYR A 75 23.152 24.692 -4.407 1.00 36.18 H new ATOM 0 HE2 TYR A 75 24.110 21.154 -6.072 1.00 38.80 H new ATOM 0 HH TYR A 75 24.617 21.712 -3.924 1.00 39.89 H new ATOM 644 N THR A 76 18.860 25.491 -9.830 1.00 25.95 N ATOM 645 CA THR A 76 18.125 25.912 -11.016 1.00 27.77 C ATOM 646 C THR A 76 18.557 27.344 -11.266 1.00 30.94 C ATOM 647 O THR A 76 18.092 28.273 -10.591 1.00 31.74 O ATOM 648 CB THR A 76 16.601 25.818 -10.801 1.00 27.42 C ATOM 649 OG1 THR A 76 16.278 24.520 -10.270 1.00 27.15 O ATOM 650 CG2 THR A 76 15.832 26.044 -12.131 1.00 27.31 C ATOM 0 H THR A 76 18.940 26.100 -9.228 1.00 25.95 H new ATOM 0 HA THR A 76 18.317 25.340 -11.775 1.00 27.77 H new ATOM 0 HB THR A 76 16.333 26.510 -10.177 1.00 27.42 H new ATOM 0 HG1 THR A 76 16.243 23.962 -10.897 1.00 27.15 H new ATOM 0 HG21 THR A 76 14.878 25.980 -11.968 1.00 27.31 H new ATOM 0 HG22 THR A 76 16.041 26.924 -12.481 1.00 27.31 H new ATOM 0 HG23 THR A 76 16.096 25.369 -12.776 1.00 27.31 H new ATOM 651 N ASN A 77 19.488 27.504 -12.198 1.00 29.87 N ATOM 652 CA ASN A 77 20.123 28.796 -12.463 1.00 30.00 C ATOM 653 C ASN A 77 19.868 29.155 -13.903 1.00 28.91 C ATOM 654 O ASN A 77 20.699 28.876 -14.775 1.00 31.44 O ATOM 655 CB ASN A 77 21.628 28.669 -12.205 1.00 29.40 C ATOM 656 CG ASN A 77 22.349 30.001 -12.226 1.00 31.48 C ATOM 657 OD1 ASN A 77 21.833 31.010 -12.731 1.00 27.94 O ATOM 658 ND2 ASN A 77 23.568 30.007 -11.675 1.00 30.05 N ATOM 0 H ASN A 77 19.773 26.865 -12.699 1.00 29.87 H new ATOM 0 HA ASN A 77 19.763 29.487 -11.886 1.00 30.00 H new ATOM 0 HB2 ASN A 77 21.768 28.245 -11.344 1.00 29.40 H new ATOM 0 HB3 ASN A 77 22.017 28.086 -12.875 1.00 29.40 H new ATOM 0 HD21 ASN A 77 24.030 30.732 -11.661 1.00 30.05 H new ATOM 0 HD22 ASN A 77 23.890 29.285 -11.335 1.00 30.05 H new ATOM 659 N VAL A 78 18.702 29.735 -14.154 1.00 28.53 N ATOM 660 CA VAL A 78 18.218 30.039 -15.500 1.00 31.01 C ATOM 661 C VAL A 78 19.161 30.959 -16.299 1.00 33.15 C ATOM 662 O VAL A 78 19.309 30.815 -17.512 1.00 31.93 O ATOM 663 CB VAL A 78 16.828 30.717 -15.425 1.00 31.12 C ATOM 664 CG1 VAL A 78 16.361 31.214 -16.799 1.00 27.98 C ATOM 665 CG2 VAL A 78 15.815 29.800 -14.747 1.00 29.62 C ATOM 0 H VAL A 78 18.155 29.970 -13.533 1.00 28.53 H new ATOM 0 HA VAL A 78 18.171 29.188 -15.963 1.00 31.01 H new ATOM 0 HB VAL A 78 16.906 31.509 -14.871 1.00 31.12 H new ATOM 0 HG11 VAL A 78 15.490 31.632 -16.713 1.00 27.98 H new ATOM 0 HG12 VAL A 78 16.997 31.861 -17.143 1.00 27.98 H new ATOM 0 HG13 VAL A 78 16.301 30.464 -17.411 1.00 27.98 H new ATOM 0 HG21 VAL A 78 14.952 30.242 -14.710 1.00 29.62 H new ATOM 0 HG22 VAL A 78 15.734 28.976 -15.253 1.00 29.62 H new ATOM 0 HG23 VAL A 78 16.113 29.598 -13.846 1.00 29.62 H new ATOM 666 N ASP A 79 19.770 31.922 -15.620 1.00 36.89 N ATOM 667 CA ASP A 79 20.614 32.896 -16.307 1.00 42.10 C ATOM 668 C ASP A 79 21.901 32.253 -16.829 1.00 40.10 C ATOM 669 O ASP A 79 22.359 32.599 -17.898 1.00 43.45 O ATOM 670 CB ASP A 79 20.882 34.131 -15.427 1.00 44.81 C ATOM 671 CG ASP A 79 19.607 34.967 -15.180 1.00 52.53 C ATOM 672 OD1 ASP A 79 18.801 35.187 -16.123 1.00 51.27 O ATOM 673 OD2 ASP A 79 19.403 35.403 -14.026 1.00 58.99 O ATOM 0 H ASP A 79 19.710 32.031 -14.769 1.00 36.89 H new ATOM 0 HA ASP A 79 20.129 33.212 -17.085 1.00 42.10 H new ATOM 0 HB2 ASP A 79 21.248 33.845 -14.575 1.00 44.81 H new ATOM 0 HB3 ASP A 79 21.553 34.688 -15.851 1.00 44.81 H new ATOM 674 N GLN A 80 22.451 31.289 -16.105 1.00 38.12 N ATOM 675 CA GLN A 80 23.630 30.569 -16.594 1.00 37.31 C ATOM 676 C GLN A 80 23.250 29.388 -17.495 1.00 33.76 C ATOM 677 O GLN A 80 24.130 28.701 -18.013 1.00 33.60 O ATOM 678 CB GLN A 80 24.490 30.065 -15.427 1.00 39.78 C ATOM 679 CG GLN A 80 24.957 31.139 -14.466 1.00 46.02 C ATOM 680 CD GLN A 80 26.007 32.044 -15.080 1.00 53.21 C ATOM 681 OE1 GLN A 80 27.105 31.593 -15.430 1.00 58.99 O ATOM 682 NE2 GLN A 80 25.679 33.327 -15.217 1.00 53.78 N ATOM 0 H GLN A 80 22.165 31.034 -15.335 1.00 38.12 H new ATOM 0 HA GLN A 80 24.142 31.202 -17.121 1.00 37.31 H new ATOM 0 HB2 GLN A 80 23.982 29.404 -14.931 1.00 39.78 H new ATOM 0 HB3 GLN A 80 25.268 29.612 -15.788 1.00 39.78 H new ATOM 0 HG2 GLN A 80 24.197 31.673 -14.186 1.00 46.02 H new ATOM 0 HG3 GLN A 80 25.319 30.721 -13.669 1.00 46.02 H new ATOM 0 HE21 GLN A 80 24.905 33.603 -14.962 1.00 53.78 H new ATOM 0 HE22 GLN A 80 26.241 33.880 -15.561 1.00 53.78 H new ATOM 683 N ASP A 81 21.953 29.125 -17.651 1.00 29.65 N ATOM 684 CA ASP A 81 21.485 27.976 -18.439 1.00 27.78 C ATOM 685 C ASP A 81 21.896 26.649 -17.770 1.00 25.28 C ATOM 686 O ASP A 81 22.324 25.708 -18.426 1.00 24.18 O ATOM 687 CB ASP A 81 22.041 28.065 -19.883 1.00 28.35 C ATOM 688 CG ASP A 81 21.304 27.166 -20.857 1.00 28.98 C ATOM 689 OD1 ASP A 81 20.196 26.730 -20.534 1.00 30.68 O ATOM 690 OD2 ASP A 81 21.812 26.891 -21.965 1.00 30.14 O ATOM 0 H ASP A 81 21.323 29.600 -17.308 1.00 29.65 H new ATOM 0 HA ASP A 81 20.516 27.998 -18.478 1.00 27.78 H new ATOM 0 HB2 ASP A 81 21.983 28.983 -20.191 1.00 28.35 H new ATOM 0 HB3 ASP A 81 22.981 27.826 -19.878 1.00 28.35 H new ATOM 691 N LEU A 82 21.781 26.592 -16.456 1.00 23.70 N ATOM 692 CA LEU A 82 22.349 25.497 -15.684 1.00 22.97 C ATOM 693 C LEU A 82 21.346 24.958 -14.665 1.00 22.54 C ATOM 694 O LEU A 82 20.734 25.736 -13.929 1.00 22.91 O ATOM 695 CB LEU A 82 23.617 25.971 -14.971 1.00 22.50 C ATOM 696 CG LEU A 82 24.405 24.937 -14.181 1.00 22.90 C ATOM 697 CD1 LEU A 82 25.036 23.893 -15.101 1.00 25.11 C ATOM 698 CD2 LEU A 82 25.466 25.581 -13.307 1.00 22.16 C ATOM 0 H LEU A 82 21.373 27.184 -15.984 1.00 23.70 H new ATOM 0 HA LEU A 82 22.570 24.777 -16.295 1.00 22.97 H new ATOM 0 HB2 LEU A 82 24.209 26.355 -15.637 1.00 22.50 H new ATOM 0 HB3 LEU A 82 23.370 26.687 -14.365 1.00 22.50 H new ATOM 0 HG LEU A 82 23.772 24.488 -13.599 1.00 22.90 H new ATOM 0 HD11 LEU A 82 25.530 23.249 -14.569 1.00 25.11 H new ATOM 0 HD12 LEU A 82 24.339 23.435 -15.597 1.00 25.11 H new ATOM 0 HD13 LEU A 82 25.640 24.331 -15.721 1.00 25.11 H new ATOM 0 HD21 LEU A 82 25.946 24.893 -12.820 1.00 22.16 H new ATOM 0 HD22 LEU A 82 26.087 26.076 -13.864 1.00 22.16 H new ATOM 0 HD23 LEU A 82 25.043 26.186 -12.678 1.00 22.16 H new ATOM 699 N VAL A 83 21.151 23.636 -14.656 1.00 20.63 N ATOM 700 CA VAL A 83 20.339 22.980 -13.636 1.00 19.47 C ATOM 701 C VAL A 83 21.148 21.806 -13.116 1.00 18.58 C ATOM 702 O VAL A 83 22.090 21.345 -13.762 1.00 18.42 O ATOM 703 CB VAL A 83 18.947 22.516 -14.152 1.00 20.90 C ATOM 704 CG1 VAL A 83 18.179 23.675 -14.809 1.00 21.65 C ATOM 705 CG2 VAL A 83 19.072 21.384 -15.150 1.00 20.94 C ATOM 0 H VAL A 83 21.485 23.100 -15.239 1.00 20.63 H new ATOM 0 HA VAL A 83 20.140 23.617 -12.932 1.00 19.47 H new ATOM 0 HB VAL A 83 18.456 22.203 -13.376 1.00 20.90 H new ATOM 0 HG11 VAL A 83 17.317 23.357 -15.120 1.00 21.65 H new ATOM 0 HG12 VAL A 83 18.046 24.384 -14.161 1.00 21.65 H new ATOM 0 HG13 VAL A 83 18.688 24.016 -15.561 1.00 21.65 H new ATOM 0 HG21 VAL A 83 18.189 21.119 -15.451 1.00 20.94 H new ATOM 0 HG22 VAL A 83 19.597 21.679 -15.910 1.00 20.94 H new ATOM 0 HG23 VAL A 83 19.510 20.628 -14.729 1.00 20.94 H new ATOM 706 N GLY A 84 20.823 21.347 -11.927 1.00 17.62 N ATOM 707 CA GLY A 84 21.519 20.222 -11.358 1.00 18.11 C ATOM 708 C GLY A 84 20.596 19.485 -10.412 1.00 18.72 C ATOM 709 O GLY A 84 19.817 20.117 -9.690 1.00 18.23 O ATOM 0 H GLY A 84 20.200 21.675 -11.433 1.00 17.62 H new ATOM 0 HA2 GLY A 84 21.820 19.626 -12.061 1.00 18.11 H new ATOM 0 HA3 GLY A 84 22.310 20.524 -10.884 1.00 18.11 H new ATOM 710 N TRP A 85 20.696 18.160 -10.427 1.00 17.98 N ATOM 711 CA TRP A 85 20.036 17.287 -9.466 1.00 18.61 C ATOM 712 C TRP A 85 21.117 16.572 -8.706 1.00 20.69 C ATOM 713 O TRP A 85 22.222 16.348 -9.245 1.00 19.78 O ATOM 714 CB TRP A 85 19.200 16.224 -10.170 1.00 17.30 C ATOM 715 CG TRP A 85 18.219 16.692 -11.212 1.00 16.28 C ATOM 716 CD1 TRP A 85 16.884 17.046 -11.035 1.00 16.17 C ATOM 717 CD2 TRP A 85 18.457 16.810 -12.648 1.00 16.27 C ATOM 718 NE1 TRP A 85 16.301 17.378 -12.233 1.00 15.40 N ATOM 719 CE2 TRP A 85 17.193 17.251 -13.240 1.00 16.39 C ATOM 720 CE3 TRP A 85 19.547 16.576 -13.477 1.00 16.72 C ATOM 721 CZ2 TRP A 85 17.053 17.454 -14.601 1.00 17.02 C ATOM 722 CZ3 TRP A 85 19.403 16.808 -14.846 1.00 17.31 C ATOM 723 CH2 TRP A 85 18.182 17.243 -15.391 1.00 17.86 C ATOM 0 H TRP A 85 21.161 17.734 -11.011 1.00 17.98 H new ATOM 0 HA TRP A 85 19.458 17.818 -8.896 1.00 18.61 H new ATOM 0 HB2 TRP A 85 19.807 15.595 -10.591 1.00 17.30 H new ATOM 0 HB3 TRP A 85 18.708 15.733 -9.494 1.00 17.30 H new ATOM 0 HD1 TRP A 85 16.446 17.056 -10.215 1.00 16.17 H new ATOM 0 HE1 TRP A 85 15.485 17.631 -12.329 1.00 15.40 H new ATOM 0 HE3 TRP A 85 20.354 16.272 -13.128 1.00 16.72 H new ATOM 0 HZ2 TRP A 85 16.243 17.719 -14.972 1.00 17.02 H new ATOM 0 HZ3 TRP A 85 20.130 16.672 -15.410 1.00 17.31 H new ATOM 0 HH2 TRP A 85 18.126 17.395 -16.307 1.00 17.86 H new ATOM 724 N GLN A 86 20.823 16.169 -7.472 1.00 21.04 N ATOM 725 CA GLN A 86 21.747 15.295 -6.728 1.00 25.98 C ATOM 726 C GLN A 86 22.064 14.062 -7.596 1.00 26.57 C ATOM 727 O GLN A 86 21.174 13.506 -8.215 1.00 25.21 O ATOM 728 CB GLN A 86 21.119 14.841 -5.404 1.00 27.89 C ATOM 729 CG GLN A 86 22.124 14.224 -4.447 1.00 34.11 C ATOM 730 CD GLN A 86 21.536 13.979 -3.070 1.00 41.22 C ATOM 731 OE1 GLN A 86 21.489 14.884 -2.214 1.00 44.36 O ATOM 732 NE2 GLN A 86 21.061 12.751 -2.849 1.00 40.53 N ATOM 0 H GLN A 86 20.106 16.383 -7.048 1.00 21.04 H new ATOM 0 HA GLN A 86 22.559 15.787 -6.527 1.00 25.98 H new ATOM 0 HB2 GLN A 86 20.697 15.602 -4.975 1.00 27.89 H new ATOM 0 HB3 GLN A 86 20.419 14.196 -5.589 1.00 27.89 H new ATOM 0 HG2 GLN A 86 22.443 13.385 -4.814 1.00 34.11 H new ATOM 0 HG3 GLN A 86 22.893 14.810 -4.368 1.00 34.11 H new ATOM 0 HE21 GLN A 86 21.112 12.153 -3.465 1.00 40.53 H new ATOM 0 HE22 GLN A 86 20.704 12.558 -2.091 1.00 40.53 H new ATOM 733 N ALA A 87 23.319 13.648 -7.650 1.00 27.89 N ATOM 734 CA ALA A 87 23.694 12.571 -8.568 1.00 29.95 C ATOM 735 C ALA A 87 23.139 11.255 -8.067 1.00 31.67 C ATOM 736 O ALA A 87 23.186 10.986 -6.871 1.00 32.11 O ATOM 737 CB ALA A 87 25.200 12.475 -8.710 1.00 28.80 C ATOM 0 H ALA A 87 23.962 13.966 -7.176 1.00 27.89 H new ATOM 0 HA ALA A 87 23.320 12.770 -9.440 1.00 29.95 H new ATOM 0 HB1 ALA A 87 25.422 11.756 -9.322 1.00 28.80 H new ATOM 0 HB2 ALA A 87 25.547 13.312 -9.056 1.00 28.80 H new ATOM 0 HB3 ALA A 87 25.596 12.295 -7.843 1.00 28.80 H new ATOM 738 N PRO A 88 22.604 10.436 -8.980 1.00 32.88 N ATOM 739 CA PRO A 88 22.192 9.092 -8.603 1.00 32.60 C ATOM 740 C PRO A 88 23.354 8.299 -8.022 1.00 34.33 C ATOM 741 O PRO A 88 24.506 8.488 -8.443 1.00 33.92 O ATOM 742 CB PRO A 88 21.773 8.469 -9.940 1.00 32.21 C ATOM 743 CG PRO A 88 21.339 9.628 -10.773 1.00 33.02 C ATOM 744 CD PRO A 88 22.316 10.723 -10.402 1.00 31.06 C ATOM 0 HA PRO A 88 21.495 9.095 -7.928 1.00 32.60 H new ATOM 0 HB2 PRO A 88 22.510 7.993 -10.354 1.00 32.21 H new ATOM 0 HB3 PRO A 88 21.053 7.830 -9.822 1.00 32.21 H new ATOM 0 HG2 PRO A 88 21.379 9.421 -11.720 1.00 33.02 H new ATOM 0 HG3 PRO A 88 20.424 9.885 -10.577 1.00 33.02 H new ATOM 0 HD2 PRO A 88 23.118 10.689 -10.946 1.00 31.06 H new ATOM 0 HD3 PRO A 88 21.930 11.605 -10.520 1.00 31.06 H new ATOM 745 N PRO A 89 23.056 7.403 -7.065 1.00 34.77 N ATOM 746 CA PRO A 89 24.054 6.432 -6.626 1.00 36.62 C ATOM 747 C PRO A 89 24.526 5.621 -7.852 1.00 36.65 C ATOM 748 O PRO A 89 23.712 5.227 -8.699 1.00 38.56 O ATOM 749 CB PRO A 89 23.274 5.528 -5.664 1.00 36.33 C ATOM 750 CG PRO A 89 22.011 6.254 -5.346 1.00 38.20 C ATOM 751 CD PRO A 89 21.719 7.131 -6.516 1.00 35.34 C ATOM 0 HA PRO A 89 24.837 6.829 -6.213 1.00 36.62 H new ATOM 0 HB2 PRO A 89 23.086 4.668 -6.072 1.00 36.33 H new ATOM 0 HB3 PRO A 89 23.786 5.355 -4.859 1.00 36.33 H new ATOM 0 HG2 PRO A 89 21.284 5.630 -5.192 1.00 38.20 H new ATOM 0 HG3 PRO A 89 22.110 6.780 -4.537 1.00 38.20 H new ATOM 0 HD2 PRO A 89 21.148 6.689 -7.163 1.00 35.34 H new ATOM 0 HD3 PRO A 89 21.267 7.947 -6.250 1.00 35.34 H new ATOM 752 N GLY A 90 25.824 5.401 -7.971 1.00 36.18 N ATOM 753 CA GLY A 90 26.324 4.645 -9.113 1.00 34.94 C ATOM 754 C GLY A 90 26.952 5.561 -10.140 1.00 33.81 C ATOM 755 O GLY A 90 27.848 5.150 -10.858 1.00 34.42 O ATOM 0 H GLY A 90 26.423 5.672 -7.417 1.00 36.18 H new ATOM 0 HA2 GLY A 90 26.978 3.995 -8.813 1.00 34.94 H new ATOM 0 HA3 GLY A 90 25.596 4.149 -9.520 1.00 34.94 H new ATOM 756 N ALA A 91 26.497 6.810 -10.201 1.00 30.77 N ATOM 757 CA ALA A 91 27.097 7.772 -11.108 1.00 30.64 C ATOM 758 C ALA A 91 28.480 8.093 -10.603 1.00 32.73 C ATOM 759 O ALA A 91 28.745 8.054 -9.408 1.00 32.67 O ATOM 760 CB ALA A 91 26.255 9.022 -11.211 1.00 29.55 C ATOM 0 H ALA A 91 25.847 7.115 -9.728 1.00 30.77 H new ATOM 0 HA ALA A 91 27.150 7.394 -12.000 1.00 30.64 H new ATOM 0 HB1 ALA A 91 26.677 9.647 -11.821 1.00 29.55 H new ATOM 0 HB2 ALA A 91 25.373 8.792 -11.543 1.00 29.55 H new ATOM 0 HB3 ALA A 91 26.174 9.431 -10.335 1.00 29.55 H new ATOM 761 N ARG A 92 29.397 8.352 -11.515 1.00 35.97 N ATOM 762 CA ARG A 92 30.749 8.629 -11.086 1.00 36.29 C ATOM 763 C ARG A 92 30.937 10.105 -11.321 1.00 33.62 C ATOM 764 O ARG A 92 30.677 10.587 -12.415 1.00 35.39 O ATOM 765 CB ARG A 92 31.745 7.790 -11.884 1.00 40.31 C ATOM 766 CG ARG A 92 33.087 7.590 -11.195 1.00 48.64 C ATOM 767 CD ARG A 92 34.081 6.907 -12.126 1.00 55.37 C ATOM 768 NE ARG A 92 35.428 6.862 -11.555 1.00 64.60 N ATOM 769 CZ ARG A 92 36.314 7.858 -11.615 1.00 67.76 C ATOM 770 NH1 ARG A 92 36.011 9.000 -12.223 1.00 70.33 N ATOM 771 NH2 ARG A 92 37.511 7.712 -11.063 1.00 70.38 N ATOM 0 H ARG A 92 29.263 8.372 -12.364 1.00 35.97 H new ATOM 0 HA ARG A 92 30.900 8.401 -10.155 1.00 36.29 H new ATOM 0 HB2 ARG A 92 31.351 6.921 -12.061 1.00 40.31 H new ATOM 0 HB3 ARG A 92 31.894 8.214 -12.743 1.00 40.31 H new ATOM 0 HG2 ARG A 92 33.440 8.448 -10.912 1.00 48.64 H new ATOM 0 HG3 ARG A 92 32.967 7.055 -10.395 1.00 48.64 H new ATOM 0 HD2 ARG A 92 33.780 6.004 -12.313 1.00 55.37 H new ATOM 0 HD3 ARG A 92 34.106 7.379 -12.973 1.00 55.37 H new ATOM 0 HE ARG A 92 35.666 6.141 -11.151 1.00 64.60 H new ATOM 0 HH11 ARG A 92 35.237 9.103 -12.583 1.00 70.33 H new ATOM 0 HH12 ARG A 92 36.589 9.636 -12.256 1.00 70.33 H new ATOM 0 HH21 ARG A 92 37.715 6.976 -10.667 1.00 70.38 H new ATOM 0 HH22 ARG A 92 38.083 8.353 -11.101 1.00 70.38 H new ATOM 772 N SER A 93 31.356 10.831 -10.289 1.00 30.02 N ATOM 773 CA SER A 93 31.547 12.254 -10.426 1.00 28.16 C ATOM 774 C SER A 93 32.934 12.524 -10.901 1.00 27.20 C ATOM 775 O SER A 93 33.868 11.860 -10.489 1.00 26.15 O ATOM 776 CB SER A 93 31.333 12.983 -9.093 1.00 30.09 C ATOM 777 OG SER A 93 29.949 13.227 -8.877 1.00 31.42 O ATOM 0 H SER A 93 31.532 10.514 -9.509 1.00 30.02 H new ATOM 0 HA SER A 93 30.895 12.581 -11.065 1.00 28.16 H new ATOM 0 HB2 SER A 93 31.691 12.450 -8.366 1.00 30.09 H new ATOM 0 HB3 SER A 93 31.819 13.823 -9.095 1.00 30.09 H new ATOM 0 HG SER A 93 29.537 13.171 -9.607 1.00 31.42 H new ATOM 778 N LEU A 94 33.045 13.500 -11.786 1.00 27.11 N ATOM 779 CA LEU A 94 34.299 14.171 -12.054 1.00 27.66 C ATOM 780 C LEU A 94 34.558 15.195 -10.952 1.00 27.99 C ATOM 781 O LEU A 94 33.647 15.626 -10.220 1.00 25.72 O ATOM 782 CB LEU A 94 34.236 14.898 -13.406 1.00 26.04 C ATOM 783 CG LEU A 94 33.906 14.035 -14.618 1.00 26.12 C ATOM 784 CD1 LEU A 94 33.399 14.904 -15.766 1.00 24.66 C ATOM 785 CD2 LEU A 94 35.138 13.219 -15.015 1.00 25.45 C ATOM 0 H LEU A 94 32.385 13.794 -12.253 1.00 27.11 H new ATOM 0 HA LEU A 94 35.012 13.514 -12.080 1.00 27.66 H new ATOM 0 HB2 LEU A 94 33.572 15.602 -13.343 1.00 26.04 H new ATOM 0 HB3 LEU A 94 35.092 15.328 -13.561 1.00 26.04 H new ATOM 0 HG LEU A 94 33.195 13.414 -14.395 1.00 26.12 H new ATOM 0 HD11 LEU A 94 33.193 14.343 -16.530 1.00 24.66 H new ATOM 0 HD12 LEU A 94 32.599 15.375 -15.486 1.00 24.66 H new ATOM 0 HD13 LEU A 94 34.083 15.546 -16.012 1.00 24.66 H new ATOM 0 HD21 LEU A 94 34.928 12.670 -15.786 1.00 25.45 H new ATOM 0 HD22 LEU A 94 35.867 13.820 -15.235 1.00 25.45 H new ATOM 0 HD23 LEU A 94 35.401 12.649 -14.275 1.00 25.45 H new ATOM 786 N THR A 95 35.809 15.604 -10.852 1.00 30.27 N ATOM 787 CA THR A 95 36.166 16.665 -9.921 1.00 32.57 C ATOM 788 C THR A 95 36.611 17.862 -10.748 1.00 29.27 C ATOM 789 O THR A 95 37.031 17.688 -11.886 1.00 26.84 O ATOM 790 CB THR A 95 37.222 16.198 -8.904 1.00 34.35 C ATOM 791 OG1 THR A 95 38.249 15.475 -9.586 1.00 36.91 O ATOM 792 CG2 THR A 95 36.589 15.272 -7.882 1.00 37.06 C ATOM 0 H THR A 95 36.465 15.286 -11.309 1.00 30.27 H new ATOM 0 HA THR A 95 35.404 16.920 -9.378 1.00 32.57 H new ATOM 0 HB THR A 95 37.591 16.977 -8.459 1.00 34.35 H new ATOM 0 HG1 THR A 95 38.827 15.220 -9.033 1.00 36.91 H new ATOM 0 HG21 THR A 95 37.262 14.983 -7.246 1.00 37.06 H new ATOM 0 HG22 THR A 95 35.882 15.742 -7.413 1.00 37.06 H new ATOM 0 HG23 THR A 95 36.218 14.498 -8.333 1.00 37.06 H new ATOM 793 N PRO A 96 36.486 19.084 -10.201 1.00 30.07 N ATOM 794 CA PRO A 96 36.749 20.239 -11.053 1.00 32.26 C ATOM 795 C PRO A 96 38.221 20.368 -11.405 1.00 35.28 C ATOM 796 O PRO A 96 39.080 19.906 -10.659 1.00 34.42 O ATOM 797 CB PRO A 96 36.299 21.428 -10.193 1.00 33.35 C ATOM 798 CG PRO A 96 35.380 20.853 -9.168 1.00 30.84 C ATOM 799 CD PRO A 96 35.951 19.486 -8.890 1.00 30.32 C ATOM 0 HA PRO A 96 36.287 20.176 -11.904 1.00 32.26 H new ATOM 0 HB2 PRO A 96 37.058 21.864 -9.776 1.00 33.35 H new ATOM 0 HB3 PRO A 96 35.847 22.097 -10.731 1.00 33.35 H new ATOM 0 HG2 PRO A 96 35.357 21.398 -8.366 1.00 30.84 H new ATOM 0 HG3 PRO A 96 34.470 20.797 -9.499 1.00 30.84 H new ATOM 0 HD2 PRO A 96 36.644 19.516 -8.212 1.00 30.32 H new ATOM 0 HD3 PRO A 96 35.272 18.870 -8.574 1.00 30.32 H new ATOM 800 N CYS A 97 38.497 20.972 -12.554 1.00 40.94 N ATOM 801 CA CYS A 97 39.863 21.234 -12.961 1.00 46.95 C ATOM 802 C CYS A 97 40.407 22.432 -12.177 1.00 51.32 C ATOM 803 O CYS A 97 39.779 23.488 -12.111 1.00 52.19 O ATOM 804 CB CYS A 97 39.926 21.492 -14.462 1.00 49.06 C ATOM 805 SG CYS A 97 41.537 22.034 -15.079 1.00 59.20 S ATOM 0 H CYS A 97 37.901 21.238 -13.113 1.00 40.94 H new ATOM 0 HA CYS A 97 40.413 20.458 -12.768 1.00 46.95 H new ATOM 0 HB2 CYS A 97 39.674 20.679 -14.927 1.00 49.06 H new ATOM 0 HB3 CYS A 97 39.265 22.165 -14.689 1.00 49.06 H new ATOM 0 HG CYS A 97 41.470 22.224 -16.262 1.00 59.20 H new ATOM 806 N THR A 98 41.573 22.248 -11.573 1.00 55.98 N ATOM 807 CA THR A 98 42.223 23.314 -10.819 1.00 62.30 C ATOM 808 C THR A 98 43.525 23.750 -11.493 1.00 65.12 C ATOM 809 O THR A 98 43.919 24.910 -11.392 1.00 71.04 O ATOM 810 CB THR A 98 42.487 22.888 -9.362 1.00 61.38 C ATOM 811 OG1 THR A 98 43.215 21.653 -9.355 1.00 61.40 O ATOM 812 CG2 THR A 98 41.157 22.706 -8.600 1.00 57.68 C ATOM 0 H THR A 98 42.009 21.507 -11.587 1.00 55.98 H new ATOM 0 HA THR A 98 41.618 24.072 -10.806 1.00 62.30 H new ATOM 0 HB THR A 98 43.004 23.580 -8.922 1.00 61.38 H new ATOM 0 HG1 THR A 98 43.362 21.419 -8.562 1.00 61.40 H new ATOM 0 HG21 THR A 98 41.341 22.438 -7.686 1.00 57.68 H new ATOM 0 HG22 THR A 98 40.667 23.543 -8.599 1.00 57.68 H new ATOM 0 HG23 THR A 98 40.625 22.022 -9.036 1.00 57.68 H new ATOM 813 N CYS A 99 44.163 22.821 -12.205 1.00 67.87 N ATOM 814 CA CYS A 99 45.432 23.075 -12.904 1.00 69.82 C ATOM 815 C CYS A 99 45.418 24.254 -13.902 1.00 68.00 C ATOM 816 O CYS A 99 46.463 24.845 -14.156 1.00 70.31 O ATOM 817 CB CYS A 99 45.949 21.795 -13.584 1.00 74.32 C ATOM 818 SG CYS A 99 44.796 20.986 -14.733 1.00 94.93 S ATOM 0 H CYS A 99 43.872 22.017 -12.299 1.00 67.87 H new ATOM 0 HA CYS A 99 46.044 23.351 -12.204 1.00 69.82 H new ATOM 0 HB2 CYS A 99 46.761 22.012 -14.067 1.00 74.32 H new ATOM 0 HB3 CYS A 99 46.191 21.158 -12.894 1.00 74.32 H new ATOM 0 HG CYS A 99 43.721 21.514 -14.659 1.00 94.93 H new ATOM 819 N GLY A 100 44.254 24.581 -14.468 1.00 63.36 N ATOM 820 CA GLY A 100 44.115 25.751 -15.351 1.00 54.92 C ATOM 821 C GLY A 100 44.564 25.579 -16.797 1.00 51.07 C ATOM 822 O GLY A 100 44.877 26.559 -17.474 1.00 49.58 O ATOM 0 H GLY A 100 43.526 24.137 -14.354 1.00 63.36 H new ATOM 0 HA2 GLY A 100 43.183 26.018 -15.354 1.00 54.92 H new ATOM 0 HA3 GLY A 100 44.619 26.484 -14.963 1.00 54.92 H new ATOM 823 N SER A 101 44.583 24.338 -17.283 1.00 49.09 N ATOM 824 CA SER A 101 44.974 24.051 -18.668 1.00 45.39 C ATOM 825 C SER A 101 44.016 24.689 -19.679 1.00 42.32 C ATOM 826 O SER A 101 42.811 24.740 -19.455 1.00 43.70 O ATOM 827 CB SER A 101 45.055 22.538 -18.910 1.00 43.71 C ATOM 828 OG SER A 101 45.557 22.264 -20.213 1.00 44.95 O ATOM 0 H SER A 101 44.372 23.642 -16.824 1.00 49.09 H new ATOM 0 HA SER A 101 45.852 24.442 -18.800 1.00 45.39 H new ATOM 0 HB2 SER A 101 45.630 22.129 -18.244 1.00 43.71 H new ATOM 0 HB3 SER A 101 44.176 22.142 -18.807 1.00 43.71 H new ATOM 0 HG SER A 101 45.597 21.433 -20.329 1.00 44.95 H new ATOM 829 N SER A 102 44.562 25.184 -20.781 1.00 37.97 N ATOM 830 CA SER A 102 43.755 25.716 -21.867 1.00 36.22 C ATOM 831 C SER A 102 43.642 24.705 -23.018 1.00 33.79 C ATOM 832 O SER A 102 43.063 25.006 -24.062 1.00 33.42 O ATOM 833 CB SER A 102 44.349 27.035 -22.362 1.00 39.03 C ATOM 834 OG SER A 102 45.594 26.817 -23.004 1.00 46.12 O ATOM 0 H SER A 102 45.410 25.221 -20.920 1.00 37.97 H new ATOM 0 HA SER A 102 42.860 25.882 -21.532 1.00 36.22 H new ATOM 0 HB2 SER A 102 43.733 27.461 -22.978 1.00 39.03 H new ATOM 0 HB3 SER A 102 44.468 27.642 -21.615 1.00 39.03 H new ATOM 0 HG SER A 102 45.904 27.551 -23.270 1.00 46.12 H new ATOM 835 N ASP A 103 44.221 23.520 -22.824 1.00 33.95 N ATOM 836 CA ASP A 103 44.110 22.406 -23.785 1.00 34.99 C ATOM 837 C ASP A 103 43.050 21.416 -23.311 1.00 32.36 C ATOM 838 O ASP A 103 43.295 20.630 -22.396 1.00 32.38 O ATOM 839 CB ASP A 103 45.450 21.679 -23.958 1.00 34.96 C ATOM 840 CG ASP A 103 46.592 22.621 -24.337 1.00 37.86 C ATOM 841 OD1 ASP A 103 46.535 23.292 -25.401 1.00 39.42 O ATOM 842 OD2 ASP A 103 47.568 22.668 -23.568 1.00 39.80 O ATOM 0 H ASP A 103 44.693 23.333 -22.130 1.00 33.95 H new ATOM 0 HA ASP A 103 43.853 22.778 -24.643 1.00 34.99 H new ATOM 0 HB2 ASP A 103 45.674 21.222 -23.132 1.00 34.96 H new ATOM 0 HB3 ASP A 103 45.357 20.998 -24.643 1.00 34.96 H new ATOM 843 N LEU A 104 41.881 21.464 -23.947 1.00 28.42 N ATOM 844 CA LEU A 104 40.726 20.743 -23.457 1.00 27.54 C ATOM 845 C LEU A 104 40.247 19.694 -24.452 1.00 26.77 C ATOM 846 O LEU A 104 40.698 19.639 -25.604 1.00 26.10 O ATOM 847 CB LEU A 104 39.572 21.725 -23.173 1.00 27.22 C ATOM 848 CG LEU A 104 39.850 23.050 -22.465 1.00 27.07 C ATOM 849 CD1 LEU A 104 38.586 23.893 -22.411 1.00 26.48 C ATOM 850 CD2 LEU A 104 40.420 22.842 -21.071 1.00 26.84 C ATOM 0 H LEU A 104 41.742 21.913 -24.667 1.00 28.42 H new ATOM 0 HA LEU A 104 40.994 20.292 -22.641 1.00 27.54 H new ATOM 0 HB2 LEU A 104 39.156 21.935 -24.024 1.00 27.22 H new ATOM 0 HB3 LEU A 104 38.912 21.249 -22.645 1.00 27.22 H new ATOM 0 HG LEU A 104 40.522 23.523 -22.980 1.00 27.07 H new ATOM 0 HD11 LEU A 104 38.775 24.731 -21.960 1.00 26.48 H new ATOM 0 HD12 LEU A 104 38.279 24.074 -23.313 1.00 26.48 H new ATOM 0 HD13 LEU A 104 37.897 23.413 -21.926 1.00 26.48 H new ATOM 0 HD21 LEU A 104 40.582 23.703 -20.656 1.00 26.84 H new ATOM 0 HD22 LEU A 104 39.788 22.339 -20.534 1.00 26.84 H new ATOM 0 HD23 LEU A 104 41.254 22.351 -21.132 1.00 26.84 H new ATOM 851 N TYR A 105 39.298 18.889 -23.998 1.00 26.45 N ATOM 852 CA TYR A 105 38.628 17.906 -24.818 1.00 28.29 C ATOM 853 C TYR A 105 37.132 18.008 -24.577 1.00 28.93 C ATOM 854 O TYR A 105 36.697 18.095 -23.434 1.00 29.43 O ATOM 855 CB TYR A 105 39.063 16.512 -24.399 1.00 30.65 C ATOM 856 CG TYR A 105 40.490 16.200 -24.725 1.00 34.16 C ATOM 857 CD1 TYR A 105 40.856 15.845 -26.020 1.00 35.71 C ATOM 858 CD2 TYR A 105 41.478 16.260 -23.747 1.00 35.22 C ATOM 859 CE1 TYR A 105 42.167 15.553 -26.341 1.00 38.10 C ATOM 860 CE2 TYR A 105 42.802 15.971 -24.060 1.00 39.09 C ATOM 861 CZ TYR A 105 43.133 15.614 -25.356 1.00 39.20 C ATOM 862 OH TYR A 105 44.430 15.325 -25.690 1.00 45.31 O ATOM 0 H TYR A 105 39.022 18.903 -23.184 1.00 26.45 H new ATOM 0 HA TYR A 105 38.847 18.064 -25.750 1.00 28.29 H new ATOM 0 HB2 TYR A 105 38.930 16.415 -23.443 1.00 30.65 H new ATOM 0 HB3 TYR A 105 38.491 15.860 -24.833 1.00 30.65 H new ATOM 0 HD1 TYR A 105 40.205 15.804 -26.682 1.00 35.71 H new ATOM 0 HD2 TYR A 105 41.251 16.495 -22.876 1.00 35.22 H new ATOM 0 HE1 TYR A 105 42.397 15.318 -27.211 1.00 38.10 H new ATOM 0 HE2 TYR A 105 43.460 16.017 -23.404 1.00 39.09 H new ATOM 0 HH TYR A 105 44.918 15.398 -25.010 1.00 45.31 H new ATOM 863 N LEU A 106 36.342 17.981 -25.636 1.00 27.02 N ATOM 864 CA LEU A 106 34.904 17.877 -25.471 1.00 27.72 C ATOM 865 C LEU A 106 34.510 16.425 -25.774 1.00 26.51 C ATOM 866 O LEU A 106 34.996 15.842 -26.733 1.00 24.14 O ATOM 867 CB LEU A 106 34.169 18.871 -26.383 1.00 28.05 C ATOM 868 CG LEU A 106 32.657 18.664 -26.539 1.00 30.75 C ATOM 869 CD1 LEU A 106 31.866 19.167 -25.330 1.00 31.00 C ATOM 870 CD2 LEU A 106 32.158 19.302 -27.823 1.00 30.66 C ATOM 0 H LEU A 106 36.614 18.021 -26.451 1.00 27.02 H new ATOM 0 HA LEU A 106 34.648 18.105 -24.564 1.00 27.72 H new ATOM 0 HB2 LEU A 106 34.320 19.766 -26.041 1.00 28.05 H new ATOM 0 HB3 LEU A 106 34.574 18.832 -27.264 1.00 28.05 H new ATOM 0 HG LEU A 106 32.506 17.707 -26.589 1.00 30.75 H new ATOM 0 HD11 LEU A 106 30.919 19.014 -25.476 1.00 31.00 H new ATOM 0 HD12 LEU A 106 32.151 18.690 -24.535 1.00 31.00 H new ATOM 0 HD13 LEU A 106 32.025 20.116 -25.211 1.00 31.00 H new ATOM 0 HD21 LEU A 106 31.202 19.161 -27.904 1.00 30.66 H new ATOM 0 HD22 LEU A 106 32.344 20.254 -27.805 1.00 30.66 H new ATOM 0 HD23 LEU A 106 32.609 18.899 -28.581 1.00 30.66 H new ATOM 871 N VAL A 107 33.661 15.849 -24.927 1.00 24.91 N ATOM 872 CA VAL A 107 33.133 14.502 -25.145 1.00 22.71 C ATOM 873 C VAL A 107 31.743 14.682 -25.712 1.00 21.96 C ATOM 874 O VAL A 107 30.859 15.281 -25.074 1.00 22.60 O ATOM 875 CB VAL A 107 33.088 13.685 -23.827 1.00 23.39 C ATOM 876 CG1 VAL A 107 32.624 12.248 -24.065 1.00 21.99 C ATOM 877 CG2 VAL A 107 34.455 13.681 -23.161 1.00 22.87 C ATOM 0 H VAL A 107 33.374 16.227 -24.210 1.00 24.91 H new ATOM 0 HA VAL A 107 33.704 14.004 -25.751 1.00 22.71 H new ATOM 0 HB VAL A 107 32.444 14.114 -23.242 1.00 23.39 H new ATOM 0 HG11 VAL A 107 32.608 11.769 -23.222 1.00 21.99 H new ATOM 0 HG12 VAL A 107 31.733 12.255 -24.449 1.00 21.99 H new ATOM 0 HG13 VAL A 107 33.236 11.807 -24.675 1.00 21.99 H new ATOM 0 HG21 VAL A 107 34.413 13.168 -22.339 1.00 22.87 H new ATOM 0 HG22 VAL A 107 35.105 13.281 -23.759 1.00 22.87 H new ATOM 0 HG23 VAL A 107 34.720 14.592 -22.959 1.00 22.87 H new ATOM 878 N THR A 108 31.540 14.171 -26.918 1.00 21.71 N ATOM 879 CA THR A 108 30.270 14.338 -27.609 1.00 21.89 C ATOM 880 C THR A 108 29.308 13.191 -27.284 1.00 21.91 C ATOM 881 O THR A 108 29.706 12.148 -26.733 1.00 20.54 O ATOM 882 CB THR A 108 30.448 14.414 -29.137 1.00 22.16 C ATOM 883 OG1 THR A 108 30.846 13.123 -29.614 1.00 23.97 O ATOM 884 CG2 THR A 108 31.495 15.467 -29.508 1.00 22.25 C ATOM 0 H THR A 108 32.128 13.722 -27.356 1.00 21.71 H new ATOM 0 HA THR A 108 29.899 15.177 -27.294 1.00 21.89 H new ATOM 0 HB THR A 108 29.610 14.674 -29.550 1.00 22.16 H new ATOM 0 HG1 THR A 108 30.945 13.150 -30.448 1.00 23.97 H new ATOM 0 HG21 THR A 108 31.593 15.500 -30.472 1.00 22.25 H new ATOM 0 HG22 THR A 108 31.211 16.335 -29.182 1.00 22.25 H new ATOM 0 HG23 THR A 108 32.346 15.234 -29.105 1.00 22.25 H new ATOM 885 N ARG A 109 28.045 13.409 -27.635 1.00 21.98 N ATOM 886 CA ARG A 109 26.997 12.383 -27.571 1.00 24.60 C ATOM 887 C ARG A 109 27.435 11.071 -28.224 1.00 26.72 C ATOM 888 O ARG A 109 27.084 10.004 -27.758 1.00 27.48 O ATOM 889 CB ARG A 109 25.701 12.919 -28.219 1.00 23.99 C ATOM 890 CG ARG A 109 24.553 11.914 -28.331 1.00 22.99 C ATOM 891 CD ARG A 109 23.646 11.944 -27.115 1.00 21.54 C ATOM 892 NE ARG A 109 22.392 11.263 -27.422 1.00 20.44 N ATOM 893 CZ ARG A 109 21.208 11.849 -27.530 1.00 20.67 C ATOM 894 NH1 ARG A 109 21.068 13.172 -27.342 1.00 18.52 N ATOM 895 NH2 ARG A 109 20.150 11.088 -27.817 1.00 20.26 N ATOM 0 H ARG A 109 27.764 14.169 -27.923 1.00 21.98 H new ATOM 0 HA ARG A 109 26.828 12.186 -26.637 1.00 24.60 H new ATOM 0 HB2 ARG A 109 25.393 13.682 -27.705 1.00 23.99 H new ATOM 0 HB3 ARG A 109 25.913 13.243 -29.108 1.00 23.99 H new ATOM 0 HG2 ARG A 109 24.032 12.107 -29.126 1.00 22.99 H new ATOM 0 HG3 ARG A 109 24.916 11.021 -28.440 1.00 22.99 H new ATOM 0 HD2 ARG A 109 24.083 11.513 -26.364 1.00 21.54 H new ATOM 0 HD3 ARG A 109 23.471 12.861 -26.853 1.00 21.54 H new ATOM 0 HE ARG A 109 22.424 10.412 -27.543 1.00 20.44 H new ATOM 0 HH11 ARG A 109 21.754 13.654 -27.148 1.00 18.52 H new ATOM 0 HH12 ARG A 109 20.293 13.537 -27.416 1.00 18.52 H new ATOM 0 HH21 ARG A 109 20.247 10.241 -27.927 1.00 20.26 H new ATOM 0 HH22 ARG A 109 19.371 11.445 -27.892 1.00 20.26 H new ATOM 896 N HIS A 110 28.242 11.133 -29.276 1.00 29.63 N ATOM 897 CA HIS A 110 28.724 9.891 -29.900 1.00 31.87 C ATOM 898 C HIS A 110 29.960 9.311 -29.273 1.00 30.56 C ATOM 899 O HIS A 110 30.586 8.447 -29.864 1.00 29.55 O ATOM 900 CB HIS A 110 28.911 10.097 -31.399 1.00 37.59 C ATOM 901 CG HIS A 110 27.676 10.642 -32.070 1.00 42.34 C ATOM 902 ND1 HIS A 110 27.667 11.818 -32.728 1.00 47.07 N ATOM 903 CD2 HIS A 110 26.361 10.164 -32.092 1.00 44.67 C ATOM 904 CE1 HIS A 110 26.420 12.060 -33.192 1.00 47.46 C ATOM 905 NE2 HIS A 110 25.623 11.047 -32.796 1.00 48.74 N ATOM 0 H HIS A 110 28.520 11.860 -29.641 1.00 29.63 H new ATOM 0 HA HIS A 110 28.034 9.228 -29.742 1.00 31.87 H new ATOM 0 HB2 HIS A 110 29.651 10.706 -31.548 1.00 37.59 H new ATOM 0 HB3 HIS A 110 29.152 9.252 -31.810 1.00 37.59 H new ATOM 0 HD2 HIS A 110 26.053 9.382 -31.695 1.00 44.67 H new ATOM 0 HE1 HIS A 110 26.158 12.796 -33.696 1.00 47.46 H new ATOM 0 HE2 HIS A 110 24.783 10.976 -32.964 1.00 48.74 H new ATOM 906 N ALA A 111 30.307 9.791 -28.071 1.00 28.28 N ATOM 907 CA ALA A 111 31.505 9.393 -27.316 1.00 28.30 C ATOM 908 C ALA A 111 32.816 9.604 -28.074 1.00 28.81 C ATOM 909 O ALA A 111 33.809 8.922 -27.822 1.00 28.24 O ATOM 910 CB ALA A 111 31.399 7.965 -26.789 1.00 28.33 C ATOM 0 H ALA A 111 29.834 10.379 -27.658 1.00 28.28 H new ATOM 0 HA ALA A 111 31.535 9.996 -26.557 1.00 28.30 H new ATOM 0 HB1 ALA A 111 32.205 7.740 -26.298 1.00 28.33 H new ATOM 0 HB2 ALA A 111 30.632 7.893 -26.200 1.00 28.33 H new ATOM 0 HB3 ALA A 111 31.293 7.352 -27.533 1.00 28.33 H new ATOM 911 N ASP A 112 32.828 10.563 -28.987 1.00 28.80 N ATOM 912 CA ASP A 112 34.100 11.050 -29.498 1.00 31.70 C ATOM 913 C ASP A 112 34.682 12.086 -28.516 1.00 31.37 C ATOM 914 O ASP A 112 33.949 12.836 -27.870 1.00 29.71 O ATOM 915 CB ASP A 112 33.931 11.629 -30.894 1.00 34.36 C ATOM 916 CG ASP A 112 33.279 10.637 -31.863 1.00 39.11 C ATOM 917 OD1 ASP A 112 33.683 9.456 -31.903 1.00 39.12 O ATOM 918 OD2 ASP A 112 32.350 11.038 -32.592 1.00 44.11 O ATOM 0 H ASP A 112 32.129 10.939 -29.318 1.00 28.80 H new ATOM 0 HA ASP A 112 34.725 10.312 -29.570 1.00 31.70 H new ATOM 0 HB2 ASP A 112 33.390 12.432 -30.845 1.00 34.36 H new ATOM 0 HB3 ASP A 112 34.798 11.892 -31.239 1.00 34.36 H new ATOM 919 N VAL A 113 36.003 12.080 -28.388 1.00 30.70 N ATOM 920 CA VAL A 113 36.737 12.980 -27.507 1.00 30.21 C ATOM 921 C VAL A 113 37.439 13.967 -28.442 1.00 33.53 C ATOM 922 O VAL A 113 38.373 13.582 -29.141 1.00 32.74 O ATOM 923 CB VAL A 113 37.750 12.159 -26.704 1.00 31.38 C ATOM 924 CG1 VAL A 113 38.586 13.039 -25.787 1.00 32.44 C ATOM 925 CG2 VAL A 113 37.009 11.089 -25.906 1.00 30.56 C ATOM 0 H VAL A 113 36.511 11.539 -28.822 1.00 30.70 H new ATOM 0 HA VAL A 113 36.171 13.447 -26.873 1.00 30.21 H new ATOM 0 HB VAL A 113 38.364 11.733 -27.322 1.00 31.38 H new ATOM 0 HG11 VAL A 113 39.215 12.488 -25.295 1.00 32.44 H new ATOM 0 HG12 VAL A 113 39.072 13.689 -26.317 1.00 32.44 H new ATOM 0 HG13 VAL A 113 38.004 13.501 -25.163 1.00 32.44 H new ATOM 0 HG21 VAL A 113 37.647 10.566 -25.395 1.00 30.56 H new ATOM 0 HG22 VAL A 113 36.381 11.513 -25.301 1.00 30.56 H new ATOM 0 HG23 VAL A 113 36.528 10.507 -26.514 1.00 30.56 H new ATOM 926 N ILE A 114 36.946 15.204 -28.535 1.00 30.17 N ATOM 927 CA ILE A 114 37.475 16.117 -29.541 1.00 30.45 C ATOM 928 C ILE A 114 38.239 17.289 -28.923 1.00 29.35 C ATOM 929 O ILE A 114 37.797 17.879 -27.931 1.00 28.18 O ATOM 930 CB ILE A 114 36.433 16.542 -30.626 1.00 32.07 C ATOM 931 CG1 ILE A 114 35.378 17.502 -30.081 1.00 31.39 C ATOM 932 CG2 ILE A 114 35.747 15.321 -31.255 1.00 32.15 C ATOM 933 CD1 ILE A 114 34.545 18.149 -31.176 1.00 34.23 C ATOM 0 H ILE A 114 36.322 15.525 -28.038 1.00 30.17 H new ATOM 0 HA ILE A 114 38.133 15.606 -30.038 1.00 30.45 H new ATOM 0 HB ILE A 114 36.936 17.010 -31.311 1.00 32.07 H new ATOM 0 HG12 ILE A 114 34.792 17.021 -29.476 1.00 31.39 H new ATOM 0 HG13 ILE A 114 35.815 18.195 -29.561 1.00 31.39 H new ATOM 0 HG21 ILE A 114 35.108 15.617 -31.922 1.00 32.15 H new ATOM 0 HG22 ILE A 114 36.414 14.755 -31.675 1.00 32.15 H new ATOM 0 HG23 ILE A 114 35.285 14.818 -30.566 1.00 32.15 H new ATOM 0 HD11 ILE A 114 33.893 18.746 -30.777 1.00 34.23 H new ATOM 0 HD12 ILE A 114 35.124 18.653 -31.769 1.00 34.23 H new ATOM 0 HD13 ILE A 114 34.085 17.461 -31.682 1.00 34.23 H new ATOM 934 N PRO A 115 39.431 17.584 -29.480 1.00 28.94 N ATOM 935 CA PRO A 115 40.332 18.630 -28.948 1.00 26.15 C ATOM 936 C PRO A 115 39.751 20.033 -29.038 1.00 24.29 C ATOM 937 O PRO A 115 39.156 20.428 -30.043 1.00 23.73 O ATOM 938 CB PRO A 115 41.601 18.498 -29.822 1.00 26.64 C ATOM 939 CG PRO A 115 41.224 17.592 -30.963 1.00 26.25 C ATOM 940 CD PRO A 115 40.113 16.717 -30.468 1.00 27.49 C ATOM 0 HA PRO A 115 40.496 18.505 -28.000 1.00 26.15 H new ATOM 0 HB2 PRO A 115 41.891 19.365 -30.147 1.00 26.64 H new ATOM 0 HB3 PRO A 115 42.337 18.126 -29.312 1.00 26.64 H new ATOM 0 HG2 PRO A 115 40.939 18.108 -31.733 1.00 26.25 H new ATOM 0 HG3 PRO A 115 41.983 17.058 -31.245 1.00 26.25 H new ATOM 0 HD2 PRO A 115 39.517 16.451 -31.186 1.00 27.49 H new ATOM 0 HD3 PRO A 115 40.449 15.903 -30.062 1.00 27.49 H new ATOM 941 N VAL A 116 39.895 20.775 -27.956 1.00 23.83 N ATOM 942 CA VAL A 116 39.346 22.125 -27.872 1.00 23.62 C ATOM 943 C VAL A 116 40.405 23.038 -27.275 1.00 23.51 C ATOM 944 O VAL A 116 41.094 22.640 -26.338 1.00 24.83 O ATOM 945 CB VAL A 116 38.046 22.135 -27.004 1.00 23.71 C ATOM 946 CG1 VAL A 116 37.617 23.555 -26.640 1.00 24.84 C ATOM 947 CG2 VAL A 116 36.908 21.413 -27.719 1.00 23.74 C ATOM 0 H VAL A 116 40.311 20.517 -27.249 1.00 23.83 H new ATOM 0 HA VAL A 116 39.106 22.441 -28.757 1.00 23.62 H new ATOM 0 HB VAL A 116 38.250 21.664 -26.181 1.00 23.71 H new ATOM 0 HG11 VAL A 116 36.810 23.522 -26.103 1.00 24.84 H new ATOM 0 HG12 VAL A 116 38.323 23.987 -26.135 1.00 24.84 H new ATOM 0 HG13 VAL A 116 37.445 24.059 -27.451 1.00 24.84 H new ATOM 0 HG21 VAL A 116 36.113 21.431 -27.163 1.00 23.74 H new ATOM 0 HG22 VAL A 116 36.723 21.855 -28.562 1.00 23.74 H new ATOM 0 HG23 VAL A 116 37.163 20.492 -27.887 1.00 23.74 H new ATOM 948 N ARG A 117 40.545 24.251 -27.808 1.00 26.54 N ATOM 949 CA ARG A 117 41.421 25.247 -27.172 1.00 29.56 C ATOM 950 C ARG A 117 40.610 26.314 -26.431 1.00 28.51 C ATOM 951 O ARG A 117 39.791 27.013 -27.040 1.00 28.04 O ATOM 952 CB ARG A 117 42.377 25.905 -28.179 1.00 32.41 C ATOM 953 CG ARG A 117 43.278 26.961 -27.538 1.00 36.90 C ATOM 954 CD ARG A 117 44.735 26.877 -27.972 1.00 45.24 C ATOM 955 NE ARG A 117 44.915 26.884 -29.435 1.00 51.17 N ATOM 956 CZ ARG A 117 45.352 25.848 -30.163 1.00 48.63 C ATOM 957 NH1 ARG A 117 45.681 24.694 -29.585 1.00 47.31 N ATOM 958 NH2 ARG A 117 45.467 25.972 -31.481 1.00 47.88 N ATOM 0 H ARG A 117 40.151 24.518 -28.524 1.00 26.54 H new ATOM 0 HA ARG A 117 41.960 24.767 -26.524 1.00 29.56 H new ATOM 0 HB2 ARG A 117 42.929 25.221 -28.589 1.00 32.41 H new ATOM 0 HB3 ARG A 117 41.859 26.316 -28.889 1.00 32.41 H new ATOM 0 HG2 ARG A 117 42.935 27.842 -27.757 1.00 36.90 H new ATOM 0 HG3 ARG A 117 43.232 26.870 -26.573 1.00 36.90 H new ATOM 0 HD2 ARG A 117 45.222 27.624 -27.590 1.00 45.24 H new ATOM 0 HD3 ARG A 117 45.127 26.067 -27.609 1.00 45.24 H new ATOM 0 HE ARG A 117 44.724 27.610 -29.854 1.00 51.17 H new ATOM 0 HH11 ARG A 117 45.614 24.606 -28.732 1.00 47.31 H new ATOM 0 HH12 ARG A 117 45.960 24.037 -30.065 1.00 47.31 H new ATOM 0 HH21 ARG A 117 45.261 26.715 -31.863 1.00 47.88 H new ATOM 0 HH22 ARG A 117 45.747 25.310 -31.952 1.00 47.88 H new ATOM 959 N ARG A 118 40.828 26.431 -25.126 1.00 28.73 N ATOM 960 CA ARG A 118 40.107 27.432 -24.360 1.00 30.76 C ATOM 961 C ARG A 118 40.489 28.836 -24.831 1.00 32.91 C ATOM 962 O ARG A 118 41.668 29.149 -24.929 1.00 34.13 O ATOM 963 CB ARG A 118 40.335 27.276 -22.860 1.00 31.27 C ATOM 964 CG ARG A 118 39.250 27.972 -22.050 1.00 30.99 C ATOM 965 CD ARG A 118 39.597 28.105 -20.579 1.00 31.97 C ATOM 966 NE ARG A 118 38.387 28.441 -19.826 1.00 30.77 N ATOM 967 CZ ARG A 118 38.123 27.998 -18.602 1.00 31.71 C ATOM 968 NH1 ARG A 118 38.996 27.197 -17.987 1.00 30.70 N ATOM 969 NH2 ARG A 118 36.983 28.355 -17.991 1.00 31.82 N ATOM 0 H ARG A 118 41.379 25.949 -24.674 1.00 28.73 H new ATOM 0 HA ARG A 118 39.159 27.298 -24.517 1.00 30.76 H new ATOM 0 HB2 ARG A 118 40.355 26.333 -22.632 1.00 31.27 H new ATOM 0 HB3 ARG A 118 41.201 27.643 -22.624 1.00 31.27 H new ATOM 0 HG2 ARG A 118 39.093 28.855 -22.421 1.00 30.99 H new ATOM 0 HG3 ARG A 118 38.421 27.476 -22.137 1.00 30.99 H new ATOM 0 HD2 ARG A 118 39.976 27.275 -20.249 1.00 31.97 H new ATOM 0 HD3 ARG A 118 40.269 28.793 -20.455 1.00 31.97 H new ATOM 0 HE ARG A 118 37.811 28.958 -20.200 1.00 30.77 H new ATOM 0 HH11 ARG A 118 39.725 26.970 -18.383 1.00 30.70 H new ATOM 0 HH12 ARG A 118 38.830 26.908 -17.194 1.00 30.70 H new ATOM 0 HH21 ARG A 118 36.423 28.871 -18.392 1.00 31.82 H new ATOM 0 HH22 ARG A 118 36.812 28.068 -17.198 1.00 31.82 H new ATOM 970 N ARG A 119 39.482 29.644 -25.169 1.00 34.03 N ATOM 971 CA ARG A 119 39.680 31.012 -25.646 1.00 36.71 C ATOM 972 C ARG A 119 39.048 32.014 -24.708 1.00 39.09 C ATOM 973 O ARG A 119 38.704 33.101 -25.148 1.00 45.10 O ATOM 974 CB ARG A 119 39.018 31.237 -27.014 1.00 39.67 C ATOM 975 CG ARG A 119 39.490 30.353 -28.135 1.00 39.81 C ATOM 976 CD ARG A 119 40.870 30.755 -28.605 1.00 43.82 C ATOM 977 NE ARG A 119 41.084 30.245 -29.947 1.00 43.75 N ATOM 978 CZ ARG A 119 42.264 30.174 -30.541 1.00 47.77 C ATOM 979 NH1 ARG A 119 43.363 30.575 -29.907 1.00 44.86 N ATOM 980 NH2 ARG A 119 42.337 29.680 -31.771 1.00 49.92 N ATOM 0 H ARG A 119 38.656 29.409 -25.127 1.00 34.03 H new ATOM 0 HA ARG A 119 40.641 31.135 -25.701 1.00 36.71 H new ATOM 0 HB2 ARG A 119 38.061 31.116 -26.913 1.00 39.67 H new ATOM 0 HB3 ARG A 119 39.161 32.161 -27.273 1.00 39.67 H new ATOM 0 HG2 ARG A 119 39.503 29.430 -27.838 1.00 39.81 H new ATOM 0 HG3 ARG A 119 38.866 30.404 -28.876 1.00 39.81 H new ATOM 0 HD2 ARG A 119 40.958 31.721 -28.597 1.00 43.82 H new ATOM 0 HD3 ARG A 119 41.544 30.404 -28.002 1.00 43.82 H new ATOM 0 HE ARG A 119 40.397 29.970 -30.386 1.00 43.75 H new ATOM 0 HH11 ARG A 119 43.309 30.883 -29.106 1.00 44.86 H new ATOM 0 HH12 ARG A 119 44.127 30.526 -30.298 1.00 44.86 H new ATOM 0 HH21 ARG A 119 41.624 29.412 -32.170 1.00 49.92 H new ATOM 0 HH22 ARG A 119 43.098 29.628 -32.169 1.00 49.92 H new ATOM 981 N GLY A 120 38.863 31.660 -23.437 1.00 38.08 N ATOM 982 CA GLY A 120 38.287 32.589 -22.480 1.00 38.19 C ATOM 983 C GLY A 120 37.459 31.879 -21.444 1.00 40.79 C ATOM 984 O GLY A 120 37.466 30.650 -21.385 1.00 41.71 O ATOM 0 H GLY A 120 39.065 30.889 -23.114 1.00 38.08 H new ATOM 0 HA2 GLY A 120 38.997 33.085 -22.043 1.00 38.19 H new ATOM 0 HA3 GLY A 120 37.736 33.235 -22.948 1.00 38.19 H new ATOM 985 N ASP A 121 36.740 32.647 -20.628 1.00 38.87 N ATOM 986 CA ASP A 121 35.961 32.086 -19.525 1.00 39.62 C ATOM 987 C ASP A 121 34.989 30.979 -19.957 1.00 35.96 C ATOM 988 O ASP A 121 34.938 29.926 -19.336 1.00 31.65 O ATOM 989 CB ASP A 121 35.192 33.189 -18.768 1.00 46.63 C ATOM 990 CG ASP A 121 36.089 33.999 -17.843 1.00 54.98 C ATOM 991 OD1 ASP A 121 37.102 33.441 -17.356 1.00 57.20 O ATOM 992 OD2 ASP A 121 35.787 35.194 -17.607 1.00 58.80 O ATOM 0 H ASP A 121 36.690 33.503 -20.697 1.00 38.87 H new ATOM 0 HA ASP A 121 36.611 31.676 -18.933 1.00 39.62 H new ATOM 0 HB2 ASP A 121 34.773 33.784 -19.409 1.00 46.63 H new ATOM 0 HB3 ASP A 121 34.480 32.784 -18.249 1.00 46.63 H new ATOM 993 N SER A 122 34.241 31.216 -21.028 1.00 34.59 N ATOM 994 CA SER A 122 33.132 30.326 -21.386 1.00 33.71 C ATOM 995 C SER A 122 33.139 29.971 -22.870 1.00 31.92 C ATOM 996 O SER A 122 32.098 29.650 -23.435 1.00 31.21 O ATOM 997 CB SER A 122 31.824 31.022 -21.037 1.00 33.80 C ATOM 998 OG SER A 122 31.743 32.233 -21.781 1.00 37.45 O ATOM 0 H SER A 122 34.354 31.882 -21.561 1.00 34.59 H new ATOM 0 HA SER A 122 33.230 29.499 -20.889 1.00 33.71 H new ATOM 0 HB2 SER A 122 31.071 30.448 -21.245 1.00 33.80 H new ATOM 0 HB3 SER A 122 31.785 31.208 -20.086 1.00 33.80 H new ATOM 0 HG SER A 122 31.024 32.627 -21.598 1.00 37.45 H new ATOM 999 N ARG A 123 34.307 30.037 -23.508 1.00 31.80 N ATOM 1000 CA ARG A 123 34.386 29.897 -24.966 1.00 31.90 C ATOM 1001 C ARG A 123 35.617 29.063 -25.332 1.00 30.89 C ATOM 1002 O ARG A 123 36.688 29.229 -24.741 1.00 31.59 O ATOM 1003 CB ARG A 123 34.423 31.302 -25.587 1.00 36.78 C ATOM 1004 CG ARG A 123 34.214 31.418 -27.091 1.00 39.48 C ATOM 1005 CD ARG A 123 32.862 30.882 -27.532 1.00 44.89 C ATOM 1006 NE ARG A 123 31.723 31.569 -26.915 1.00 48.04 N ATOM 1007 CZ ARG A 123 30.994 32.521 -27.509 1.00 47.98 C ATOM 1008 NH1 ARG A 123 31.273 32.925 -28.744 1.00 43.52 N ATOM 1009 NH2 ARG A 123 29.975 33.073 -26.860 1.00 49.56 N ATOM 0 H ARG A 123 35.064 30.162 -23.119 1.00 31.80 H new ATOM 0 HA ARG A 123 33.611 29.431 -25.317 1.00 31.90 H new ATOM 0 HB2 ARG A 123 33.745 31.840 -25.149 1.00 36.78 H new ATOM 0 HB3 ARG A 123 35.281 31.700 -25.374 1.00 36.78 H new ATOM 0 HG2 ARG A 123 34.292 32.348 -27.355 1.00 39.48 H new ATOM 0 HG3 ARG A 123 34.917 30.933 -27.551 1.00 39.48 H new ATOM 0 HD2 ARG A 123 32.792 30.959 -28.496 1.00 44.89 H new ATOM 0 HD3 ARG A 123 32.813 29.937 -27.319 1.00 44.89 H new ATOM 0 HE ARG A 123 31.508 31.344 -26.113 1.00 48.04 H new ATOM 0 HH11 ARG A 123 31.930 32.574 -29.173 1.00 43.52 H new ATOM 0 HH12 ARG A 123 30.796 33.538 -29.114 1.00 43.52 H new ATOM 0 HH21 ARG A 123 29.786 32.818 -26.061 1.00 49.56 H new ATOM 0 HH22 ARG A 123 29.505 33.685 -27.239 1.00 49.56 H new ATOM 1010 N GLY A 124 35.455 28.118 -26.252 1.00 27.70 N ATOM 1011 CA GLY A 124 36.574 27.326 -26.745 1.00 27.43 C ATOM 1012 C GLY A 124 36.464 27.084 -28.240 1.00 27.44 C ATOM 1013 O GLY A 124 35.364 26.911 -28.751 1.00 29.74 O ATOM 0 H GLY A 124 34.697 27.919 -26.606 1.00 27.70 H new ATOM 0 HA2 GLY A 124 37.407 27.783 -26.550 1.00 27.43 H new ATOM 0 HA3 GLY A 124 36.601 26.476 -26.279 1.00 27.43 H new ATOM 1014 N SER A 125 37.588 27.089 -28.950 1.00 26.45 N ATOM 1015 CA SER A 125 37.546 26.856 -30.399 1.00 27.85 C ATOM 1016 C SER A 125 37.802 25.380 -30.713 1.00 28.57 C ATOM 1017 O SER A 125 38.573 24.706 -30.015 1.00 27.82 O ATOM 1018 CB SER A 125 38.529 27.769 -31.152 1.00 28.28 C ATOM 1019 OG SER A 125 39.846 27.644 -30.628 1.00 28.80 O ATOM 0 H SER A 125 38.373 27.222 -28.624 1.00 26.45 H new ATOM 0 HA SER A 125 36.656 27.082 -30.711 1.00 27.85 H new ATOM 0 HB2 SER A 125 38.530 27.541 -32.095 1.00 28.28 H new ATOM 0 HB3 SER A 125 38.236 28.691 -31.083 1.00 28.28 H new ATOM 0 HG SER A 125 40.401 27.917 -31.197 1.00 28.80 H new ATOM 1020 N LEU A 126 37.124 24.863 -31.732 1.00 28.23 N ATOM 1021 CA LEU A 126 37.353 23.480 -32.107 1.00 31.93 C ATOM 1022 C LEU A 126 38.540 23.483 -33.036 1.00 32.06 C ATOM 1023 O LEU A 126 38.505 24.144 -34.061 1.00 34.63 O ATOM 1024 CB LEU A 126 36.148 22.889 -32.827 1.00 33.10 C ATOM 1025 CG LEU A 126 34.813 22.697 -32.126 1.00 33.21 C ATOM 1026 CD1 LEU A 126 33.915 21.967 -33.107 1.00 36.50 C ATOM 1027 CD2 LEU A 126 34.988 21.889 -30.856 1.00 35.00 C ATOM 0 H LEU A 126 36.543 25.285 -32.206 1.00 28.23 H new ATOM 0 HA LEU A 126 37.507 22.940 -31.316 1.00 31.93 H new ATOM 0 HB2 LEU A 126 35.981 23.449 -33.601 1.00 33.10 H new ATOM 0 HB3 LEU A 126 36.418 22.019 -33.160 1.00 33.10 H new ATOM 0 HG LEU A 126 34.428 23.549 -31.867 1.00 33.21 H new ATOM 0 HD11 LEU A 126 33.046 21.820 -32.703 1.00 36.50 H new ATOM 0 HD12 LEU A 126 33.812 22.501 -33.910 1.00 36.50 H new ATOM 0 HD13 LEU A 126 34.313 21.113 -33.336 1.00 36.50 H new ATOM 0 HD21 LEU A 126 34.128 21.777 -30.423 1.00 35.00 H new ATOM 0 HD22 LEU A 126 35.356 21.018 -31.074 1.00 35.00 H new ATOM 0 HD23 LEU A 126 35.593 22.354 -30.257 1.00 35.00 H new ATOM 1028 N LEU A 127 39.587 22.756 -32.671 1.00 34.16 N ATOM 1029 CA LEU A 127 40.821 22.714 -33.471 1.00 37.03 C ATOM 1030 C LEU A 127 40.580 22.118 -34.851 1.00 38.31 C ATOM 1031 O LEU A 127 41.328 22.381 -35.788 1.00 41.95 O ATOM 1032 CB LEU A 127 41.936 21.961 -32.728 1.00 35.52 C ATOM 1033 CG LEU A 127 42.338 22.613 -31.401 1.00 36.70 C ATOM 1034 CD1 LEU A 127 43.755 22.206 -31.058 1.00 38.10 C ATOM 1035 CD2 LEU A 127 42.235 24.142 -31.447 1.00 39.43 C ATOM 0 H LEU A 127 39.610 22.274 -31.959 1.00 34.16 H new ATOM 0 HA LEU A 127 41.113 23.630 -33.601 1.00 37.03 H new ATOM 0 HB2 LEU A 127 41.644 21.052 -32.558 1.00 35.52 H new ATOM 0 HB3 LEU A 127 42.716 21.905 -33.302 1.00 35.52 H new ATOM 0 HG LEU A 127 41.720 22.305 -30.719 1.00 36.70 H new ATOM 0 HD11 LEU A 127 44.015 22.616 -30.218 1.00 38.10 H new ATOM 0 HD12 LEU A 127 43.804 21.241 -30.975 1.00 38.10 H new ATOM 0 HD13 LEU A 127 44.355 22.500 -31.761 1.00 38.10 H new ATOM 0 HD21 LEU A 127 42.498 24.510 -30.589 1.00 39.43 H new ATOM 0 HD22 LEU A 127 42.821 24.485 -32.139 1.00 39.43 H new ATOM 0 HD23 LEU A 127 41.320 24.399 -31.642 1.00 39.43 H new ATOM 1036 N SER A 128 39.524 21.325 -34.960 1.00 40.07 N ATOM 1037 CA SER A 128 39.071 20.793 -36.231 1.00 42.00 C ATOM 1038 C SER A 128 37.574 21.031 -36.360 1.00 42.11 C ATOM 1039 O SER A 128 36.786 20.331 -35.731 1.00 42.71 O ATOM 1040 CB SER A 128 39.365 19.297 -36.288 1.00 46.72 C ATOM 1041 OG SER A 128 40.742 19.055 -36.046 1.00 50.80 O ATOM 0 H SER A 128 39.046 21.079 -34.289 1.00 40.07 H new ATOM 0 HA SER A 128 39.534 21.235 -36.960 1.00 42.00 H new ATOM 0 HB2 SER A 128 38.828 18.830 -35.629 1.00 46.72 H new ATOM 0 HB3 SER A 128 39.116 18.945 -37.157 1.00 46.72 H new ATOM 0 HG SER A 128 40.891 18.229 -36.079 1.00 50.80 H new ATOM 1042 N PRO A 129 37.167 22.029 -37.163 1.00 42.12 N ATOM 1043 CA PRO A 129 35.720 22.239 -37.340 1.00 43.01 C ATOM 1044 C PRO A 129 34.985 20.981 -37.851 1.00 44.68 C ATOM 1045 O PRO A 129 35.529 20.225 -38.659 1.00 43.46 O ATOM 1046 CB PRO A 129 35.637 23.379 -38.367 1.00 43.88 C ATOM 1047 CG PRO A 129 36.993 24.019 -38.367 1.00 46.19 C ATOM 1048 CD PRO A 129 37.979 22.951 -37.979 1.00 43.34 C ATOM 0 HA PRO A 129 35.286 22.446 -36.497 1.00 43.01 H new ATOM 0 HB2 PRO A 129 35.411 23.040 -39.247 1.00 43.88 H new ATOM 0 HB3 PRO A 129 34.949 24.018 -38.124 1.00 43.88 H new ATOM 0 HG2 PRO A 129 37.203 24.379 -39.243 1.00 46.19 H new ATOM 0 HG3 PRO A 129 37.024 24.759 -37.741 1.00 46.19 H new ATOM 0 HD2 PRO A 129 38.353 22.508 -38.757 1.00 43.34 H new ATOM 0 HD3 PRO A 129 38.723 23.316 -37.475 1.00 43.34 H new ATOM 1049 N ARG A 130 33.773 20.754 -37.342 1.00 42.55 N ATOM 1050 CA ARG A 130 32.943 19.625 -37.752 1.00 41.64 C ATOM 1051 C ARG A 130 31.527 20.146 -38.024 1.00 39.38 C ATOM 1052 O ARG A 130 31.144 21.162 -37.444 1.00 37.24 O ATOM 1053 CB ARG A 130 32.926 18.547 -36.652 1.00 44.59 C ATOM 1054 CG ARG A 130 34.284 17.916 -36.361 1.00 47.74 C ATOM 1055 CD ARG A 130 34.148 16.793 -35.355 1.00 48.51 C ATOM 1056 NE ARG A 130 35.328 15.935 -35.251 1.00 48.25 N ATOM 1057 CZ ARG A 130 35.494 14.787 -35.908 1.00 51.93 C ATOM 1058 NH1 ARG A 130 34.566 14.344 -36.750 1.00 52.62 N ATOM 1059 NH2 ARG A 130 36.604 14.077 -35.737 1.00 52.67 N ATOM 0 H ARG A 130 33.409 21.255 -36.745 1.00 42.55 H new ATOM 0 HA ARG A 130 33.303 19.219 -38.556 1.00 41.64 H new ATOM 0 HB2 ARG A 130 32.584 18.941 -35.834 1.00 44.59 H new ATOM 0 HB3 ARG A 130 32.306 17.847 -36.911 1.00 44.59 H new ATOM 0 HG2 ARG A 130 34.670 17.575 -37.183 1.00 47.74 H new ATOM 0 HG3 ARG A 130 34.893 18.590 -36.020 1.00 47.74 H new ATOM 0 HD2 ARG A 130 33.960 17.174 -34.483 1.00 48.51 H new ATOM 0 HD3 ARG A 130 33.384 16.247 -35.596 1.00 48.51 H new ATOM 0 HE ARG A 130 35.961 16.190 -34.728 1.00 48.25 H new ATOM 0 HH11 ARG A 130 33.848 14.799 -36.876 1.00 52.62 H new ATOM 0 HH12 ARG A 130 34.684 13.602 -37.168 1.00 52.62 H new ATOM 0 HH21 ARG A 130 37.216 14.358 -35.202 1.00 52.67 H new ATOM 0 HH22 ARG A 130 36.710 13.336 -36.161 1.00 52.67 H new ATOM 1060 N PRO A 131 30.747 19.459 -38.897 1.00 37.55 N ATOM 1061 CA PRO A 131 29.370 19.884 -39.151 1.00 39.36 C ATOM 1062 C PRO A 131 28.602 19.953 -37.848 1.00 41.01 C ATOM 1063 O PRO A 131 28.842 19.152 -36.949 1.00 45.92 O ATOM 1064 CB PRO A 131 28.794 18.752 -40.020 1.00 38.57 C ATOM 1065 CG PRO A 131 29.971 18.104 -40.634 1.00 38.12 C ATOM 1066 CD PRO A 131 31.061 18.200 -39.602 1.00 39.19 C ATOM 0 HA PRO A 131 29.317 20.758 -39.569 1.00 39.36 H new ATOM 0 HB2 PRO A 131 28.286 18.122 -39.485 1.00 38.57 H new ATOM 0 HB3 PRO A 131 28.192 19.100 -40.696 1.00 38.57 H new ATOM 0 HG2 PRO A 131 29.783 17.180 -40.860 1.00 38.12 H new ATOM 0 HG3 PRO A 131 30.227 18.551 -41.456 1.00 38.12 H new ATOM 0 HD2 PRO A 131 31.052 17.440 -38.999 1.00 39.19 H new ATOM 0 HD3 PRO A 131 31.940 18.228 -40.011 1.00 39.19 H new ATOM 1067 N VAL A 132 27.677 20.893 -37.749 1.00 44.54 N ATOM 1068 CA VAL A 132 26.944 21.107 -36.508 1.00 46.03 C ATOM 1069 C VAL A 132 26.009 19.936 -36.149 1.00 43.47 C ATOM 1070 O VAL A 132 25.750 19.679 -34.972 1.00 42.50 O ATOM 1071 CB VAL A 132 26.217 22.480 -36.494 1.00 46.52 C ATOM 1072 CG1 VAL A 132 25.148 22.575 -37.573 1.00 47.55 C ATOM 1073 CG2 VAL A 132 25.601 22.741 -35.134 1.00 52.00 C ATOM 0 H VAL A 132 27.456 21.421 -38.390 1.00 44.54 H new ATOM 0 HA VAL A 132 27.607 21.134 -35.801 1.00 46.03 H new ATOM 0 HB VAL A 132 26.886 23.157 -36.681 1.00 46.52 H new ATOM 0 HG11 VAL A 132 24.720 23.445 -37.529 1.00 47.55 H new ATOM 0 HG12 VAL A 132 25.557 22.460 -38.445 1.00 47.55 H new ATOM 0 HG13 VAL A 132 24.484 21.881 -37.433 1.00 47.55 H new ATOM 0 HG21 VAL A 132 25.152 23.601 -35.142 1.00 52.00 H new ATOM 0 HG22 VAL A 132 24.959 22.043 -34.930 1.00 52.00 H new ATOM 0 HG23 VAL A 132 26.297 22.747 -34.459 1.00 52.00 H new ATOM 1074 N SER A 133 25.538 19.216 -37.165 1.00 42.93 N ATOM 1075 CA SER A 133 24.611 18.085 -36.977 1.00 40.94 C ATOM 1076 C SER A 133 25.262 16.967 -36.169 1.00 38.68 C ATOM 1077 O SER A 133 24.585 16.210 -35.495 1.00 43.33 O ATOM 1078 CB SER A 133 24.190 17.516 -38.325 1.00 39.51 C ATOM 1079 OG SER A 133 25.291 16.812 -38.890 1.00 41.97 O ATOM 0 H SER A 133 25.744 19.365 -37.987 1.00 42.93 H new ATOM 0 HA SER A 133 23.838 18.422 -36.498 1.00 40.94 H new ATOM 0 HB2 SER A 133 23.431 16.921 -38.216 1.00 39.51 H new ATOM 0 HB3 SER A 133 23.908 18.230 -38.918 1.00 39.51 H new ATOM 0 HG SER A 133 25.068 16.493 -39.634 1.00 41.97 H new ATOM 1080 N TYR A 134 26.576 16.866 -36.287 1.00 35.43 N ATOM 1081 CA TYR A 134 27.396 15.973 -35.509 1.00 35.27 C ATOM 1082 C TYR A 134 27.411 16.248 -33.982 1.00 35.03 C ATOM 1083 O TYR A 134 27.590 15.317 -33.189 1.00 37.54 O ATOM 1084 CB TYR A 134 28.814 16.061 -36.060 1.00 36.23 C ATOM 1085 CG TYR A 134 29.854 15.427 -35.195 1.00 41.99 C ATOM 1086 CD1 TYR A 134 29.994 14.033 -35.139 1.00 46.22 C ATOM 1087 CD2 TYR A 134 30.707 16.211 -34.424 1.00 45.09 C ATOM 1088 CE1 TYR A 134 30.956 13.443 -34.330 1.00 49.29 C ATOM 1089 CE2 TYR A 134 31.669 15.631 -33.616 1.00 47.89 C ATOM 1090 CZ TYR A 134 31.794 14.255 -33.577 1.00 50.62 C ATOM 1091 OH TYR A 134 32.759 13.707 -32.775 1.00 54.42 O ATOM 0 H TYR A 134 27.028 17.337 -36.847 1.00 35.43 H new ATOM 0 HA TYR A 134 27.011 15.087 -35.594 1.00 35.27 H new ATOM 0 HB2 TYR A 134 28.836 15.641 -36.934 1.00 36.23 H new ATOM 0 HB3 TYR A 134 29.042 16.995 -36.189 1.00 36.23 H new ATOM 0 HD1 TYR A 134 29.434 13.495 -35.651 1.00 46.22 H new ATOM 0 HD2 TYR A 134 30.629 17.137 -34.452 1.00 45.09 H new ATOM 0 HE1 TYR A 134 31.038 12.517 -34.293 1.00 49.29 H new ATOM 0 HE2 TYR A 134 32.230 16.165 -33.101 1.00 47.89 H new ATOM 0 HH TYR A 134 32.712 12.869 -32.812 1.00 54.42 H new ATOM 1092 N LEU A 135 27.278 17.515 -33.582 1.00 29.87 N ATOM 1093 CA LEU A 135 27.277 17.904 -32.153 1.00 29.53 C ATOM 1094 C LEU A 135 25.868 17.943 -31.574 1.00 29.42 C ATOM 1095 O LEU A 135 25.670 18.266 -30.403 1.00 28.07 O ATOM 1096 CB LEU A 135 27.945 19.269 -31.927 1.00 26.30 C ATOM 1097 CG LEU A 135 29.383 19.539 -32.381 1.00 26.54 C ATOM 1098 CD1 LEU A 135 29.634 21.035 -32.285 1.00 24.71 C ATOM 1099 CD2 LEU A 135 30.427 18.785 -31.561 1.00 25.26 C ATOM 0 H LEU A 135 27.186 18.176 -34.124 1.00 29.87 H new ATOM 0 HA LEU A 135 27.790 17.221 -31.694 1.00 29.53 H new ATOM 0 HB2 LEU A 135 27.384 19.933 -32.358 1.00 26.30 H new ATOM 0 HB3 LEU A 135 27.912 19.445 -30.974 1.00 26.30 H new ATOM 0 HG LEU A 135 29.474 19.220 -33.292 1.00 26.54 H new ATOM 0 HD11 LEU A 135 30.541 21.230 -32.568 1.00 24.71 H new ATOM 0 HD12 LEU A 135 29.008 21.506 -32.858 1.00 24.71 H new ATOM 0 HD13 LEU A 135 29.513 21.325 -31.367 1.00 24.71 H new ATOM 0 HD21 LEU A 135 31.314 18.995 -31.894 1.00 25.26 H new ATOM 0 HD22 LEU A 135 30.360 19.049 -30.630 1.00 25.26 H new ATOM 0 HD23 LEU A 135 30.271 17.831 -31.637 1.00 25.26 H new ATOM 1100 N LYS A 136 24.885 17.626 -32.407 1.00 32.24 N ATOM 1101 CA LYS A 136 23.504 17.648 -31.982 1.00 32.28 C ATOM 1102 C LYS A 136 23.358 16.548 -30.947 1.00 29.43 C ATOM 1103 O LYS A 136 23.987 15.492 -31.045 1.00 27.97 O ATOM 1104 CB LYS A 136 22.596 17.378 -33.168 1.00 36.59 C ATOM 1105 CG LYS A 136 21.390 18.279 -33.251 1.00 38.63 C ATOM 1106 CD LYS A 136 20.587 17.817 -34.459 1.00 45.86 C ATOM 1107 CE LYS A 136 19.267 18.560 -34.605 1.00 49.15 C ATOM 1108 NZ LYS A 136 18.535 18.024 -35.790 1.00 52.56 N ATOM 0 H LYS A 136 25.003 17.395 -33.227 1.00 32.24 H new ATOM 0 HA LYS A 136 23.259 18.511 -31.612 1.00 32.28 H new ATOM 0 HB2 LYS A 136 23.112 17.472 -33.984 1.00 36.59 H new ATOM 0 HB3 LYS A 136 22.295 16.457 -33.127 1.00 36.59 H new ATOM 0 HG2 LYS A 136 20.859 18.221 -32.441 1.00 38.63 H new ATOM 0 HG3 LYS A 136 21.658 19.206 -33.349 1.00 38.63 H new ATOM 0 HD2 LYS A 136 21.116 17.944 -35.262 1.00 45.86 H new ATOM 0 HD3 LYS A 136 20.412 16.866 -34.382 1.00 45.86 H new ATOM 0 HE2 LYS A 136 18.731 18.452 -33.804 1.00 49.15 H new ATOM 0 HE3 LYS A 136 19.428 19.511 -34.713 1.00 49.15 H new ATOM 0 HZ1 LYS A 136 17.761 18.455 -35.881 1.00 52.56 H new ATOM 0 HZ2 LYS A 136 19.028 18.142 -36.522 1.00 52.56 H new ATOM 0 HZ3 LYS A 136 18.379 17.155 -35.675 1.00 52.56 H new ATOM 1109 N GLY A 137 22.546 16.806 -29.938 1.00 26.72 N ATOM 1110 CA GLY A 137 22.407 15.848 -28.862 1.00 23.09 C ATOM 1111 C GLY A 137 23.475 15.975 -27.793 1.00 21.01 C ATOM 1112 O GLY A 137 23.364 15.316 -26.782 1.00 21.49 O ATOM 0 H GLY A 137 22.073 17.520 -29.858 1.00 26.72 H new ATOM 0 HA2 GLY A 137 21.535 15.958 -28.452 1.00 23.09 H new ATOM 0 HA3 GLY A 137 22.435 14.952 -29.232 1.00 23.09 H new ATOM 1113 N SER A 138 24.498 16.809 -27.995 1.00 19.15 N ATOM 1114 CA SER A 138 25.614 16.914 -27.023 1.00 19.09 C ATOM 1115 C SER A 138 25.526 18.030 -25.966 1.00 18.52 C ATOM 1116 O SER A 138 26.404 18.119 -25.089 1.00 16.76 O ATOM 1117 CB SER A 138 26.971 17.020 -27.752 1.00 20.35 C ATOM 1118 OG SER A 138 27.240 15.840 -28.491 1.00 20.78 O ATOM 0 H SER A 138 24.573 17.323 -28.681 1.00 19.15 H new ATOM 0 HA SER A 138 25.535 16.089 -26.520 1.00 19.09 H new ATOM 0 HB2 SER A 138 26.964 17.785 -28.348 1.00 20.35 H new ATOM 0 HB3 SER A 138 27.679 17.170 -27.106 1.00 20.35 H new ATOM 0 HG SER A 138 26.726 15.801 -29.154 1.00 20.78 H new ATOM 1119 N SER A 139 24.512 18.896 -26.060 1.00 19.39 N ATOM 1120 CA SER A 139 24.280 19.909 -25.013 1.00 21.24 C ATOM 1121 C SER A 139 24.332 19.242 -23.639 1.00 18.88 C ATOM 1122 O SER A 139 23.733 18.181 -23.425 1.00 18.61 O ATOM 1123 CB SER A 139 22.940 20.621 -25.191 1.00 22.98 C ATOM 1124 OG SER A 139 22.905 21.246 -26.453 1.00 33.29 O ATOM 0 H SER A 139 23.951 18.917 -26.712 1.00 19.39 H new ATOM 0 HA SER A 139 24.978 20.578 -25.087 1.00 21.24 H new ATOM 0 HB2 SER A 139 22.212 19.985 -25.114 1.00 22.98 H new ATOM 0 HB3 SER A 139 22.817 21.280 -24.490 1.00 22.98 H new ATOM 0 HG SER A 139 22.168 21.636 -26.552 1.00 33.29 H new ATOM 1125 N GLY A 140 25.059 19.861 -22.723 1.00 17.68 N ATOM 1126 CA GLY A 140 25.224 19.298 -21.395 1.00 17.92 C ATOM 1127 C GLY A 140 26.422 18.382 -21.228 1.00 18.35 C ATOM 1128 O GLY A 140 26.711 17.964 -20.105 1.00 18.24 O ATOM 0 H GLY A 140 25.465 20.608 -22.850 1.00 17.68 H new ATOM 0 HA2 GLY A 140 25.299 20.025 -20.758 1.00 17.92 H new ATOM 0 HA3 GLY A 140 24.422 18.803 -21.167 1.00 17.92 H new ATOM 1129 N GLY A 141 27.117 18.074 -22.330 1.00 18.93 N ATOM 1130 CA GLY A 141 28.350 17.276 -22.291 1.00 18.91 C ATOM 1131 C GLY A 141 29.541 18.003 -21.648 1.00 19.51 C ATOM 1132 O GLY A 141 29.565 19.246 -21.570 1.00 20.36 O ATOM 0 H GLY A 141 26.887 18.322 -23.121 1.00 18.93 H new ATOM 0 HA2 GLY A 141 28.179 16.457 -21.801 1.00 18.91 H new ATOM 0 HA3 GLY A 141 28.588 17.021 -23.196 1.00 18.91 H new ATOM 1133 N PRO A 142 30.552 17.236 -21.200 1.00 18.69 N ATOM 1134 CA PRO A 142 31.629 17.856 -20.433 1.00 18.88 C ATOM 1135 C PRO A 142 32.811 18.320 -21.288 1.00 19.90 C ATOM 1136 O PRO A 142 33.130 17.721 -22.339 1.00 18.05 O ATOM 1137 CB PRO A 142 32.079 16.722 -19.523 1.00 18.35 C ATOM 1138 CG PRO A 142 31.884 15.481 -20.385 1.00 18.19 C ATOM 1139 CD PRO A 142 30.699 15.766 -21.270 1.00 18.14 C ATOM 0 HA PRO A 142 31.323 18.659 -19.983 1.00 18.88 H new ATOM 0 HB2 PRO A 142 33.004 16.827 -19.251 1.00 18.35 H new ATOM 0 HB3 PRO A 142 31.548 16.682 -18.712 1.00 18.35 H new ATOM 0 HG2 PRO A 142 32.676 15.299 -20.915 1.00 18.19 H new ATOM 0 HG3 PRO A 142 31.725 14.698 -19.835 1.00 18.19 H new ATOM 0 HD2 PRO A 142 30.854 15.467 -22.180 1.00 18.14 H new ATOM 0 HD3 PRO A 142 29.902 15.313 -20.954 1.00 18.14 H new ATOM 1140 N LEU A 143 33.457 19.381 -20.816 1.00 21.01 N ATOM 1141 CA LEU A 143 34.765 19.775 -21.327 1.00 21.48 C ATOM 1142 C LEU A 143 35.767 19.356 -20.292 1.00 23.52 C ATOM 1143 O LEU A 143 35.627 19.721 -19.110 1.00 23.55 O ATOM 1144 CB LEU A 143 34.848 21.281 -21.469 1.00 21.74 C ATOM 1145 CG LEU A 143 34.260 21.978 -22.685 1.00 23.54 C ATOM 1146 CD1 LEU A 143 34.957 21.492 -23.950 1.00 24.02 C ATOM 1147 CD2 LEU A 143 32.755 21.755 -22.709 1.00 23.67 C ATOM 0 H LEU A 143 33.152 19.890 -20.194 1.00 21.01 H new ATOM 0 HA LEU A 143 34.924 19.368 -22.193 1.00 21.48 H new ATOM 0 HB2 LEU A 143 34.423 21.666 -20.686 1.00 21.74 H new ATOM 0 HB3 LEU A 143 35.787 21.520 -21.429 1.00 21.74 H new ATOM 0 HG LEU A 143 34.410 22.935 -22.638 1.00 23.54 H new ATOM 0 HD11 LEU A 143 34.577 21.940 -24.722 1.00 24.02 H new ATOM 0 HD12 LEU A 143 35.905 21.692 -23.895 1.00 24.02 H new ATOM 0 HD13 LEU A 143 34.833 20.534 -24.040 1.00 24.02 H new ATOM 0 HD21 LEU A 143 32.374 22.198 -23.483 1.00 23.67 H new ATOM 0 HD22 LEU A 143 32.569 20.804 -22.757 1.00 23.67 H new ATOM 0 HD23 LEU A 143 32.361 22.121 -21.902 1.00 23.67 H new ATOM 1148 N LEU A 144 36.766 18.591 -20.718 1.00 22.98 N ATOM 1149 CA LEU A 144 37.748 18.031 -19.792 1.00 24.23 C ATOM 1150 C LEU A 144 39.130 18.601 -20.079 1.00 25.60 C ATOM 1151 O LEU A 144 39.443 18.941 -21.217 1.00 25.01 O ATOM 1152 CB LEU A 144 37.780 16.500 -19.891 1.00 23.16 C ATOM 1153 CG LEU A 144 36.433 15.791 -19.760 1.00 22.81 C ATOM 1154 CD1 LEU A 144 36.543 14.314 -20.123 1.00 23.30 C ATOM 1155 CD2 LEU A 144 35.914 15.958 -18.344 1.00 21.23 C ATOM 0 H LEU A 144 36.895 18.383 -21.542 1.00 22.98 H new ATOM 0 HA LEU A 144 37.487 18.275 -18.890 1.00 24.23 H new ATOM 0 HB2 LEU A 144 38.171 16.257 -20.745 1.00 23.16 H new ATOM 0 HB3 LEU A 144 38.372 16.161 -19.201 1.00 23.16 H new ATOM 0 HG LEU A 144 35.808 16.194 -20.383 1.00 22.81 H new ATOM 0 HD11 LEU A 144 35.674 13.892 -20.030 1.00 23.30 H new ATOM 0 HD12 LEU A 144 36.848 14.228 -21.040 1.00 23.30 H new ATOM 0 HD13 LEU A 144 37.177 13.881 -19.530 1.00 23.30 H new ATOM 0 HD21 LEU A 144 35.059 15.509 -18.258 1.00 21.23 H new ATOM 0 HD22 LEU A 144 36.547 15.570 -17.719 1.00 21.23 H new ATOM 0 HD23 LEU A 144 35.804 16.902 -18.149 1.00 21.23 H new ATOM 1156 N CYS A 145 39.923 18.754 -19.029 1.00 27.55 N ATOM 1157 CA CYS A 145 41.341 19.046 -19.168 1.00 31.86 C ATOM 1158 C CYS A 145 42.084 17.708 -19.383 1.00 32.08 C ATOM 1159 O CYS A 145 41.484 16.648 -19.201 1.00 32.36 O ATOM 1160 CB CYS A 145 41.840 19.739 -17.908 1.00 34.29 C ATOM 1161 SG CYS A 145 42.031 18.612 -16.507 1.00 38.45 S ATOM 0 H CYS A 145 39.654 18.691 -18.215 1.00 27.55 H new ATOM 0 HA CYS A 145 41.501 19.634 -19.923 1.00 31.86 H new ATOM 0 HB2 CYS A 145 42.693 20.162 -18.094 1.00 34.29 H new ATOM 0 HB3 CYS A 145 41.220 20.445 -17.666 1.00 34.29 H new ATOM 0 HG CYS A 145 42.427 19.223 -15.553 1.00 38.45 H new ATOM 1162 N PRO A 146 43.393 17.748 -19.734 1.00 34.06 N ATOM 1163 CA PRO A 146 44.110 16.495 -20.029 1.00 33.84 C ATOM 1164 C PRO A 146 44.136 15.456 -18.908 1.00 30.49 C ATOM 1165 O PRO A 146 44.181 14.267 -19.198 1.00 31.64 O ATOM 1166 CB PRO A 146 45.524 16.977 -20.383 1.00 37.45 C ATOM 1167 CG PRO A 146 45.298 18.359 -20.935 1.00 36.62 C ATOM 1168 CD PRO A 146 44.243 18.926 -20.019 1.00 35.12 C ATOM 0 HA PRO A 146 43.657 16.008 -20.735 1.00 33.84 H new ATOM 0 HB2 PRO A 146 46.101 16.994 -19.603 1.00 37.45 H new ATOM 0 HB3 PRO A 146 45.946 16.397 -21.036 1.00 37.45 H new ATOM 0 HG2 PRO A 146 46.110 18.889 -20.918 1.00 36.62 H new ATOM 0 HG3 PRO A 146 44.996 18.332 -21.856 1.00 36.62 H new ATOM 0 HD2 PRO A 146 44.629 19.296 -19.210 1.00 35.12 H new ATOM 0 HD3 PRO A 146 43.741 19.638 -20.445 1.00 35.12 H new ATOM 1169 N SER A 147 44.068 15.873 -17.652 0.60 28.49 N ATOM 1170 CA SER A 147 44.000 14.901 -16.561 0.60 29.21 C ATOM 1171 C SER A 147 42.593 14.288 -16.401 0.60 29.47 C ATOM 1172 O SER A 147 42.351 13.491 -15.507 0.60 27.76 O ATOM 1173 CB SER A 147 44.452 15.539 -15.255 0.60 27.37 C ATOM 1174 OG SER A 147 43.499 16.499 -14.843 0.60 29.51 O ATOM 0 H SER A 147 44.060 16.698 -17.408 0.60 28.49 H new ATOM 0 HA SER A 147 44.601 14.175 -16.789 0.60 29.21 H new ATOM 0 HB2 SER A 147 44.557 14.859 -14.571 0.60 27.37 H new ATOM 0 HB3 SER A 147 45.318 15.959 -15.372 0.60 27.37 H new ATOM 0 HG SER A 147 43.070 16.203 -14.184 0.60 29.51 H new ATOM 1175 N GLY A 148 41.669 14.655 -17.283 1.00 33.12 N ATOM 1176 CA GLY A 148 40.297 14.162 -17.195 1.00 31.24 C ATOM 1177 C GLY A 148 39.473 14.805 -16.094 1.00 30.08 C ATOM 1178 O GLY A 148 38.488 14.221 -15.645 1.00 31.68 O ATOM 0 H GLY A 148 41.815 15.189 -17.941 1.00 33.12 H new ATOM 0 HA2 GLY A 148 39.855 14.312 -18.045 1.00 31.24 H new ATOM 0 HA3 GLY A 148 40.317 13.203 -17.051 1.00 31.24 H new ATOM 1179 N HIS A 149 39.858 16.005 -15.648 1.00 30.23 N ATOM 1180 CA HIS A 149 39.035 16.763 -14.685 1.00 30.26 C ATOM 1181 C HIS A 149 38.113 17.708 -15.427 1.00 28.22 C ATOM 1182 O HIS A 149 38.394 18.090 -16.558 1.00 28.12 O ATOM 1183 CB HIS A 149 39.896 17.511 -13.654 1.00 31.46 C ATOM 1184 CG HIS A 149 40.665 16.602 -12.710 1.00 34.95 C ATOM 1185 ND1 HIS A 149 42.001 16.667 -12.570 1.00 35.98 N ATOM 1186 CD2 HIS A 149 40.235 15.597 -11.843 1.00 37.20 C ATOM 1187 CE1 HIS A 149 42.411 15.747 -11.668 1.00 35.37 C ATOM 1188 NE2 HIS A 149 41.336 15.093 -11.225 1.00 35.80 N ATOM 0 H HIS A 149 40.585 16.398 -15.886 1.00 30.23 H new ATOM 0 HA HIS A 149 38.496 16.130 -14.185 1.00 30.26 H new ATOM 0 HB2 HIS A 149 40.526 18.079 -14.125 1.00 31.46 H new ATOM 0 HB3 HIS A 149 39.324 18.094 -13.131 1.00 31.46 H new ATOM 0 HD2 HIS A 149 39.356 15.322 -11.712 1.00 37.20 H new ATOM 0 HE1 HIS A 149 43.290 15.596 -11.403 1.00 35.37 H new ATOM 0 HE2 HIS A 149 41.339 14.458 -10.645 1.00 35.80 H new ATOM 1189 N ALA A 150 37.020 18.125 -14.795 1.00 26.69 N ATOM 1190 CA ALA A 150 35.975 18.890 -15.506 1.00 24.81 C ATOM 1191 C ALA A 150 36.268 20.381 -15.573 1.00 24.08 C ATOM 1192 O ALA A 150 36.543 21.023 -14.539 1.00 24.91 O ATOM 1193 CB ALA A 150 34.615 18.660 -14.848 1.00 23.70 C ATOM 0 H ALA A 150 36.857 17.982 -13.963 1.00 26.69 H new ATOM 0 HA ALA A 150 35.964 18.562 -16.419 1.00 24.81 H new ATOM 0 HB1 ALA A 150 33.936 19.166 -15.322 1.00 23.70 H new ATOM 0 HB2 ALA A 150 34.395 17.716 -14.880 1.00 23.70 H new ATOM 0 HB3 ALA A 150 34.649 18.952 -13.924 1.00 23.70 H new ATOM 1194 N VAL A 151 36.180 20.927 -16.775 0.82 20.70 N ATOM 1195 CA VAL A 151 36.321 22.352 -16.990 0.82 21.07 C ATOM 1196 C VAL A 151 34.965 23.056 -17.133 0.82 20.76 C ATOM 1197 O VAL A 151 34.795 24.159 -16.687 0.82 19.33 O ATOM 1198 CB VAL A 151 37.193 22.613 -18.238 0.82 20.49 C ATOM 1199 CG1 VAL A 151 37.248 24.093 -18.553 0.82 20.32 C ATOM 1200 CG2 VAL A 151 38.603 22.085 -17.990 0.82 20.59 C ATOM 0 H VAL A 151 36.036 20.476 -17.493 0.82 20.70 H new ATOM 0 HA VAL A 151 36.755 22.723 -16.206 0.82 21.07 H new ATOM 0 HB VAL A 151 36.799 22.153 -18.996 0.82 20.49 H new ATOM 0 HG11 VAL A 151 37.799 24.237 -19.338 0.82 20.32 H new ATOM 0 HG12 VAL A 151 36.351 24.421 -18.723 0.82 20.32 H new ATOM 0 HG13 VAL A 151 37.629 24.570 -17.799 0.82 20.32 H new ATOM 0 HG21 VAL A 151 39.152 22.248 -18.773 0.82 20.59 H new ATOM 0 HG22 VAL A 151 38.989 22.539 -17.225 0.82 20.59 H new ATOM 0 HG23 VAL A 151 38.566 21.132 -17.815 0.82 20.59 H new ATOM 1201 N GLY A 152 33.998 22.396 -17.762 1.00 22.34 N ATOM 1202 CA GLY A 152 32.712 23.028 -18.046 1.00 22.73 C ATOM 1203 C GLY A 152 31.744 22.047 -18.654 1.00 22.37 C ATOM 1204 O GLY A 152 32.104 20.884 -18.904 1.00 19.98 O ATOM 0 H GLY A 152 34.065 21.583 -18.033 1.00 22.34 H new ATOM 0 HA2 GLY A 152 32.339 23.389 -17.227 1.00 22.73 H new ATOM 0 HA3 GLY A 152 32.843 23.775 -18.651 1.00 22.73 H new ATOM 1205 N ILE A 153 30.508 22.500 -18.860 1.00 22.64 N ATOM 1206 CA ILE A 153 29.572 21.725 -19.647 1.00 23.32 C ATOM 1207 C ILE A 153 29.179 22.524 -20.854 1.00 23.31 C ATOM 1208 O ILE A 153 28.930 23.711 -20.771 1.00 22.69 O ATOM 1209 CB ILE A 153 28.291 21.174 -18.904 1.00 23.02 C ATOM 1210 CG1 ILE A 153 27.221 22.255 -18.728 1.00 24.33 C ATOM 1211 CG2 ILE A 153 28.653 20.361 -17.659 1.00 23.85 C ATOM 1212 CD1 ILE A 153 25.893 21.755 -18.191 1.00 25.20 C ATOM 0 H ILE A 153 30.201 23.243 -18.555 1.00 22.64 H new ATOM 0 HA ILE A 153 30.052 20.915 -19.882 1.00 23.32 H new ATOM 0 HB ILE A 153 27.857 20.521 -19.475 1.00 23.02 H new ATOM 0 HG12 ILE A 153 27.563 22.936 -18.127 1.00 24.33 H new ATOM 0 HG13 ILE A 153 27.068 22.684 -19.585 1.00 24.33 H new ATOM 0 HG21 ILE A 153 27.842 20.042 -17.233 1.00 23.85 H new ATOM 0 HG22 ILE A 153 29.202 19.604 -17.915 1.00 23.85 H new ATOM 0 HG23 ILE A 153 29.145 20.921 -17.038 1.00 23.85 H new ATOM 0 HD11 ILE A 153 25.276 22.499 -18.110 1.00 25.20 H new ATOM 0 HD12 ILE A 153 25.526 21.095 -18.799 1.00 25.20 H new ATOM 0 HD13 ILE A 153 26.028 21.351 -17.319 1.00 25.20 H new ATOM 1213 N PHE A 154 29.104 21.806 -21.963 1.00 24.10 N ATOM 1214 CA PHE A 154 28.784 22.315 -23.275 1.00 25.36 C ATOM 1215 C PHE A 154 27.367 22.899 -23.387 1.00 25.22 C ATOM 1216 O PHE A 154 26.379 22.220 -23.103 1.00 24.00 O ATOM 1217 CB PHE A 154 28.949 21.118 -24.226 1.00 26.24 C ATOM 1218 CG PHE A 154 28.785 21.449 -25.664 1.00 29.47 C ATOM 1219 CD1 PHE A 154 29.108 22.708 -26.150 1.00 29.87 C ATOM 1220 CD2 PHE A 154 28.349 20.476 -26.549 1.00 31.71 C ATOM 1221 CE1 PHE A 154 28.956 23.007 -27.488 1.00 31.81 C ATOM 1222 CE2 PHE A 154 28.194 20.766 -27.885 1.00 34.40 C ATOM 1223 CZ PHE A 154 28.506 22.029 -28.357 1.00 33.88 C ATOM 0 H PHE A 154 29.248 20.958 -21.965 1.00 24.10 H new ATOM 0 HA PHE A 154 29.370 23.057 -23.490 1.00 25.36 H new ATOM 0 HB2 PHE A 154 29.829 20.732 -24.093 1.00 26.24 H new ATOM 0 HB3 PHE A 154 28.301 20.437 -23.986 1.00 26.24 H new ATOM 0 HD1 PHE A 154 29.430 23.357 -25.567 1.00 29.87 H new ATOM 0 HD2 PHE A 154 28.160 19.620 -26.238 1.00 31.71 H new ATOM 0 HE1 PHE A 154 29.154 23.859 -27.803 1.00 31.81 H new ATOM 0 HE2 PHE A 154 27.880 20.115 -28.470 1.00 34.40 H new ATOM 0 HZ PHE A 154 28.413 22.221 -29.262 1.00 33.88 H new ATOM 1224 N ARG A 155 27.272 24.136 -23.850 1.00 25.82 N ATOM 1225 CA ARG A 155 25.989 24.849 -23.904 1.00 30.79 C ATOM 1226 C ARG A 155 25.516 25.038 -25.350 1.00 31.56 C ATOM 1227 O ARG A 155 24.426 24.595 -25.733 1.00 32.55 O ATOM 1228 CB ARG A 155 26.129 26.199 -23.187 1.00 32.01 C ATOM 1229 CG ARG A 155 24.832 26.858 -22.799 1.00 38.64 C ATOM 1230 CD ARG A 155 25.032 28.264 -22.235 1.00 40.04 C ATOM 1231 NE ARG A 155 24.920 29.313 -23.261 1.00 49.78 N ATOM 1232 CZ ARG A 155 23.790 29.690 -23.882 1.00 52.05 C ATOM 1233 NH1 ARG A 155 22.634 29.097 -23.616 1.00 51.76 N ATOM 1234 NH2 ARG A 155 23.817 30.663 -24.793 1.00 50.92 N ATOM 0 H ARG A 155 27.941 24.590 -24.142 1.00 25.82 H new ATOM 0 HA ARG A 155 25.315 24.317 -23.453 1.00 30.79 H new ATOM 0 HB2 ARG A 155 26.661 26.070 -22.387 1.00 32.01 H new ATOM 0 HB3 ARG A 155 26.623 26.804 -23.762 1.00 32.01 H new ATOM 0 HG2 ARG A 155 24.252 26.904 -23.575 1.00 38.64 H new ATOM 0 HG3 ARG A 155 24.380 26.310 -22.139 1.00 38.64 H new ATOM 0 HD2 ARG A 155 24.374 28.426 -21.540 1.00 40.04 H new ATOM 0 HD3 ARG A 155 25.906 28.319 -21.817 1.00 40.04 H new ATOM 0 HE ARG A 155 25.643 29.722 -23.483 1.00 49.78 H new ATOM 0 HH11 ARG A 155 22.600 28.461 -23.038 1.00 51.76 H new ATOM 0 HH12 ARG A 155 21.918 29.349 -24.021 1.00 51.76 H new ATOM 0 HH21 ARG A 155 24.560 31.052 -24.985 1.00 50.92 H new ATOM 0 HH22 ARG A 155 23.092 30.902 -25.189 1.00 50.92 H new ATOM 1235 N ALA A 156 26.350 25.680 -26.163 1.00 30.75 N ATOM 1236 CA ALA A 156 25.993 25.970 -27.538 1.00 29.62 C ATOM 1237 C ALA A 156 27.227 25.963 -28.425 1.00 30.34 C ATOM 1238 O ALA A 156 28.361 26.110 -27.933 1.00 28.21 O ATOM 1239 CB ALA A 156 25.283 27.313 -27.622 1.00 30.17 C ATOM 0 H ALA A 156 27.131 25.956 -25.932 1.00 30.75 H new ATOM 0 HA ALA A 156 25.390 25.279 -27.853 1.00 29.62 H new ATOM 0 HB1 ALA A 156 25.048 27.498 -28.545 1.00 30.17 H new ATOM 0 HB2 ALA A 156 24.477 27.287 -27.083 1.00 30.17 H new ATOM 0 HB3 ALA A 156 25.870 28.011 -27.292 1.00 30.17 H new ATOM 1240 N ALA A 157 26.994 25.767 -29.722 1.00 29.33 N ATOM 1241 CA ALA A 157 28.039 25.816 -30.747 1.00 32.92 C ATOM 1242 C ALA A 157 28.037 27.161 -31.479 1.00 33.34 C ATOM 1243 O ALA A 157 26.990 27.769 -31.667 1.00 30.08 O ATOM 1244 CB ALA A 157 27.850 24.687 -31.746 1.00 33.37 C ATOM 0 H ALA A 157 26.212 25.599 -30.037 1.00 29.33 H new ATOM 0 HA ALA A 157 28.895 25.712 -30.303 1.00 32.92 H new ATOM 0 HB1 ALA A 157 28.547 24.730 -32.419 1.00 33.37 H new ATOM 0 HB2 ALA A 157 27.899 23.835 -31.285 1.00 33.37 H new ATOM 0 HB3 ALA A 157 26.983 24.774 -32.173 1.00 33.37 H new ATOM 1245 N VAL A 158 29.221 27.631 -31.860 1.00 35.00 N ATOM 1246 CA VAL A 158 29.337 28.818 -32.685 1.00 37.91 C ATOM 1247 C VAL A 158 29.516 28.299 -34.103 1.00 38.92 C ATOM 1248 O VAL A 158 30.460 27.559 -34.372 1.00 39.38 O ATOM 1249 CB VAL A 158 30.536 29.697 -32.251 1.00 38.17 C ATOM 1250 CG1 VAL A 158 30.742 30.859 -33.211 1.00 38.28 C ATOM 1251 CG2 VAL A 158 30.330 30.203 -30.832 1.00 39.94 C ATOM 0 H VAL A 158 29.972 27.271 -31.647 1.00 35.00 H new ATOM 0 HA VAL A 158 28.556 29.388 -32.605 1.00 37.91 H new ATOM 0 HB VAL A 158 31.337 29.150 -32.274 1.00 38.17 H new ATOM 0 HG11 VAL A 158 31.497 31.392 -32.917 1.00 38.28 H new ATOM 0 HG12 VAL A 158 30.916 30.516 -34.102 1.00 38.28 H new ATOM 0 HG13 VAL A 158 29.944 31.411 -33.228 1.00 38.28 H new ATOM 0 HG21 VAL A 158 31.086 30.752 -30.571 1.00 39.94 H new ATOM 0 HG22 VAL A 158 29.518 30.732 -30.792 1.00 39.94 H new ATOM 0 HG23 VAL A 158 30.254 29.449 -30.227 1.00 39.94 H new ATOM 1252 N CYS A 159 28.603 28.677 -34.995 1.00 42.15 N ATOM 1253 CA CYS A 159 28.514 28.064 -36.329 1.00 44.44 C ATOM 1254 C CYS A 159 28.501 29.059 -37.473 1.00 43.83 C ATOM 1255 O CYS A 159 27.938 30.139 -37.349 1.00 41.39 O ATOM 1256 CB CYS A 159 27.260 27.198 -36.413 1.00 46.80 C ATOM 1257 SG CYS A 159 27.306 25.803 -35.266 1.00 55.04 S ATOM 0 H CYS A 159 28.019 29.292 -34.850 1.00 42.15 H new ATOM 0 HA CYS A 159 29.320 27.534 -36.431 1.00 44.44 H new ATOM 0 HB2 CYS A 159 26.480 27.743 -36.224 1.00 46.80 H new ATOM 0 HB3 CYS A 159 27.160 26.865 -37.319 1.00 46.80 H new ATOM 0 HG CYS A 159 26.656 26.064 -34.292 1.00 55.04 H new ATOM 1258 N THR A 160 29.143 28.683 -38.576 1.00 46.11 N ATOM 1259 CA THR A 160 29.079 29.432 -39.832 1.00 50.54 C ATOM 1260 C THR A 160 28.789 28.422 -40.936 1.00 49.53 C ATOM 1261 O THR A 160 29.550 27.471 -41.129 1.00 49.81 O ATOM 1262 CB THR A 160 30.392 30.210 -40.144 1.00 54.10 C ATOM 1263 OG1 THR A 160 31.500 29.301 -40.227 1.00 58.91 O ATOM 1264 CG2 THR A 160 30.699 31.262 -39.068 1.00 55.14 C ATOM 0 H THR A 160 29.634 27.978 -38.618 1.00 46.11 H new ATOM 0 HA THR A 160 28.384 30.106 -39.766 1.00 50.54 H new ATOM 0 HB THR A 160 30.262 30.661 -40.993 1.00 54.10 H new ATOM 0 HG1 THR A 160 31.228 28.550 -40.488 1.00 58.91 H new ATOM 0 HG21 THR A 160 31.521 31.726 -39.294 1.00 55.14 H new ATOM 0 HG22 THR A 160 29.970 31.900 -39.022 1.00 55.14 H new ATOM 0 HG23 THR A 160 30.801 30.825 -38.208 1.00 55.14 H new ATOM 1265 N ARG A 161 27.669 28.609 -41.625 1.00 50.43 N ATOM 1266 CA ARG A 161 27.262 27.725 -42.717 1.00 48.45 C ATOM 1267 C ARG A 161 27.111 26.263 -42.276 1.00 46.42 C ATOM 1268 O ARG A 161 27.426 25.340 -43.035 1.00 49.32 O ATOM 1269 CB ARG A 161 28.242 27.849 -43.897 1.00 53.72 C ATOM 1270 CG ARG A 161 28.085 29.133 -44.698 1.00 58.90 C ATOM 1271 CD ARG A 161 29.270 29.381 -45.621 1.00 63.99 C ATOM 1272 NE ARG A 161 30.109 30.470 -45.129 1.00 69.11 N ATOM 1273 CZ ARG A 161 31.259 30.312 -44.480 1.00 70.27 C ATOM 1274 NH1 ARG A 161 31.749 29.099 -44.245 1.00 72.16 N ATOM 1275 NH2 ARG A 161 31.925 31.381 -44.070 1.00 69.76 N ATOM 0 H ARG A 161 27.120 29.254 -41.474 1.00 50.43 H new ATOM 0 HA ARG A 161 26.382 28.014 -43.005 1.00 48.45 H new ATOM 0 HB2 ARG A 161 29.150 27.799 -43.559 1.00 53.72 H new ATOM 0 HB3 ARG A 161 28.118 27.091 -44.490 1.00 53.72 H new ATOM 0 HG2 ARG A 161 27.271 29.087 -45.224 1.00 58.90 H new ATOM 0 HG3 ARG A 161 27.988 29.882 -44.090 1.00 58.90 H new ATOM 0 HD2 ARG A 161 29.799 28.571 -45.696 1.00 63.99 H new ATOM 0 HD3 ARG A 161 28.950 29.594 -46.511 1.00 63.99 H new ATOM 0 HE ARG A 161 29.839 31.274 -45.270 1.00 69.11 H new ATOM 0 HH11 ARG A 161 31.321 28.403 -44.514 1.00 72.16 H new ATOM 0 HH12 ARG A 161 32.494 29.010 -43.824 1.00 72.16 H new ATOM 0 HH21 ARG A 161 31.613 32.167 -44.224 1.00 69.76 H new ATOM 0 HH22 ARG A 161 32.670 31.289 -43.650 1.00 69.76 H new ATOM 1276 N GLY A 162 26.622 26.054 -41.057 1.00 41.35 N ATOM 1277 CA GLY A 162 26.374 24.708 -40.555 1.00 38.77 C ATOM 1278 C GLY A 162 27.629 23.963 -40.127 1.00 37.80 C ATOM 1279 O GLY A 162 27.595 22.749 -39.899 1.00 36.00 O ATOM 0 H GLY A 162 26.427 26.682 -40.503 1.00 41.35 H new ATOM 0 HA2 GLY A 162 25.768 24.762 -39.799 1.00 38.77 H new ATOM 0 HA3 GLY A 162 25.924 24.194 -41.244 1.00 38.77 H new ATOM 1280 N VAL A 163 28.739 24.687 -40.024 1.00 36.38 N ATOM 1281 CA VAL A 163 29.998 24.117 -39.561 1.00 36.04 C ATOM 1282 C VAL A 163 30.336 24.715 -38.200 1.00 35.92 C ATOM 1283 O VAL A 163 30.494 25.921 -38.078 1.00 34.43 O ATOM 1284 CB VAL A 163 31.126 24.379 -40.572 1.00 36.33 C ATOM 1285 CG1 VAL A 163 32.485 24.061 -39.981 1.00 37.09 C ATOM 1286 CG2 VAL A 163 30.894 23.536 -41.814 1.00 38.82 C ATOM 0 H VAL A 163 28.783 25.523 -40.221 1.00 36.38 H new ATOM 0 HA VAL A 163 29.906 23.155 -39.478 1.00 36.04 H new ATOM 0 HB VAL A 163 31.116 25.321 -40.804 1.00 36.33 H new ATOM 0 HG11 VAL A 163 33.174 24.236 -40.641 1.00 37.09 H new ATOM 0 HG12 VAL A 163 32.637 24.617 -39.201 1.00 37.09 H new ATOM 0 HG13 VAL A 163 32.515 23.127 -39.723 1.00 37.09 H new ATOM 0 HG21 VAL A 163 31.605 23.700 -42.454 1.00 38.82 H new ATOM 0 HG22 VAL A 163 30.888 22.597 -41.571 1.00 38.82 H new ATOM 0 HG23 VAL A 163 30.041 23.773 -42.211 1.00 38.82 H new ATOM 1287 N ALA A 164 30.407 23.863 -37.178 1.00 35.37 N ATOM 1288 CA ALA A 164 30.718 24.299 -35.819 1.00 34.33 C ATOM 1289 C ALA A 164 32.206 24.622 -35.669 1.00 34.77 C ATOM 1290 O ALA A 164 33.049 23.751 -35.840 1.00 36.73 O ATOM 1291 CB ALA A 164 30.288 23.237 -34.824 1.00 33.01 C ATOM 0 H ALA A 164 30.276 23.016 -37.254 1.00 35.37 H new ATOM 0 HA ALA A 164 30.225 25.114 -35.636 1.00 34.33 H new ATOM 0 HB1 ALA A 164 30.497 23.533 -33.924 1.00 33.01 H new ATOM 0 HB2 ALA A 164 29.332 23.089 -34.901 1.00 33.01 H new ATOM 0 HB3 ALA A 164 30.759 22.410 -35.010 1.00 33.01 H new ATOM 1292 N LYS A 165 32.526 25.876 -35.359 1.00 35.89 N ATOM 1293 CA LYS A 165 33.923 26.305 -35.223 1.00 38.32 C ATOM 1294 C LYS A 165 34.330 26.534 -33.766 1.00 36.89 C ATOM 1295 O LYS A 165 35.501 26.557 -33.430 1.00 36.13 O ATOM 1296 CB LYS A 165 34.180 27.578 -36.046 1.00 43.31 C ATOM 1297 CG LYS A 165 33.325 28.778 -35.638 1.00 49.05 C ATOM 1298 CD LYS A 165 33.842 30.093 -36.218 1.00 55.76 C ATOM 1299 CE LYS A 165 33.745 30.120 -37.742 1.00 56.94 C ATOM 1300 NZ LYS A 165 34.360 31.338 -38.337 1.00 58.13 N ATOM 0 H LYS A 165 31.949 26.499 -35.222 1.00 35.89 H new ATOM 0 HA LYS A 165 34.471 25.581 -35.565 1.00 38.32 H new ATOM 0 HB2 LYS A 165 35.116 27.819 -35.964 1.00 43.31 H new ATOM 0 HB3 LYS A 165 34.018 27.383 -36.982 1.00 43.31 H new ATOM 0 HG2 LYS A 165 32.412 28.635 -35.933 1.00 49.05 H new ATOM 0 HG3 LYS A 165 33.304 28.842 -34.670 1.00 49.05 H new ATOM 0 HD2 LYS A 165 33.333 30.831 -35.849 1.00 55.76 H new ATOM 0 HD3 LYS A 165 34.765 30.223 -35.951 1.00 55.76 H new ATOM 0 HE2 LYS A 165 34.181 29.333 -38.104 1.00 56.94 H new ATOM 0 HE3 LYS A 165 32.812 30.073 -38.004 1.00 56.94 H new ATOM 0 HZ1 LYS A 165 34.279 31.309 -39.223 1.00 58.13 H new ATOM 0 HZ2 LYS A 165 33.947 32.062 -38.025 1.00 58.13 H new ATOM 0 HZ3 LYS A 165 35.222 31.372 -38.119 1.00 58.13 H new ATOM 1301 N ALA A 166 33.353 26.737 -32.896 1.00 35.30 N ATOM 1302 CA ALA A 166 33.657 27.021 -31.513 1.00 32.89 C ATOM 1303 C ALA A 166 32.511 26.490 -30.704 1.00 30.87 C ATOM 1304 O ALA A 166 31.419 26.289 -31.243 1.00 29.47 O ATOM 1305 CB ALA A 166 33.808 28.525 -31.302 1.00 31.86 C ATOM 0 H ALA A 166 32.515 26.714 -33.088 1.00 35.30 H new ATOM 0 HA ALA A 166 34.492 26.606 -31.246 1.00 32.89 H new ATOM 0 HB1 ALA A 166 34.012 28.702 -30.370 1.00 31.86 H new ATOM 0 HB2 ALA A 166 34.528 28.859 -31.859 1.00 31.86 H new ATOM 0 HB3 ALA A 166 32.980 28.970 -31.542 1.00 31.86 H new ATOM 1306 N VAL A 167 32.776 26.254 -29.427 1.00 28.25 N ATOM 1307 CA VAL A 167 31.746 25.921 -28.454 1.00 30.33 C ATOM 1308 C VAL A 167 31.653 26.966 -27.345 1.00 29.76 C ATOM 1309 O VAL A 167 32.650 27.579 -26.965 1.00 30.62 O ATOM 1310 CB VAL A 167 31.981 24.527 -27.837 1.00 31.24 C ATOM 1311 CG1 VAL A 167 32.084 23.500 -28.961 1.00 34.13 C ATOM 1312 CG2 VAL A 167 33.243 24.502 -26.975 1.00 31.31 C ATOM 0 H VAL A 167 33.569 26.283 -29.096 1.00 28.25 H new ATOM 0 HA VAL A 167 30.904 25.911 -28.936 1.00 30.33 H new ATOM 0 HB VAL A 167 31.233 24.310 -27.259 1.00 31.24 H new ATOM 0 HG11 VAL A 167 32.232 22.619 -28.582 1.00 34.13 H new ATOM 0 HG12 VAL A 167 31.260 23.497 -29.473 1.00 34.13 H new ATOM 0 HG13 VAL A 167 32.825 23.730 -29.543 1.00 34.13 H new ATOM 0 HG21 VAL A 167 33.363 23.615 -26.602 1.00 31.31 H new ATOM 0 HG22 VAL A 167 34.012 24.730 -27.520 1.00 31.31 H new ATOM 0 HG23 VAL A 167 33.156 25.146 -26.255 1.00 31.31 H new ATOM 1313 N ASP A 168 30.442 27.160 -26.854 1.00 30.81 N ATOM 1314 CA ASP A 168 30.154 27.981 -25.694 1.00 30.00 C ATOM 1315 C ASP A 168 29.863 27.020 -24.537 1.00 27.50 C ATOM 1316 O ASP A 168 29.110 26.049 -24.701 1.00 25.15 O ATOM 1317 CB ASP A 168 28.927 28.834 -26.009 1.00 35.35 C ATOM 1318 CG ASP A 168 28.621 29.852 -24.931 1.00 45.92 C ATOM 1319 OD1 ASP A 168 29.322 30.889 -24.880 1.00 57.89 O ATOM 1320 OD2 ASP A 168 27.659 29.642 -24.154 1.00 47.84 O ATOM 0 H ASP A 168 29.739 26.804 -27.200 1.00 30.81 H new ATOM 0 HA ASP A 168 30.890 28.569 -25.462 1.00 30.00 H new ATOM 0 HB2 ASP A 168 29.067 29.294 -26.851 1.00 35.35 H new ATOM 0 HB3 ASP A 168 28.158 28.254 -26.127 1.00 35.35 H new ATOM 1321 N PHE A 169 30.434 27.289 -23.366 1.00 23.98 N ATOM 1322 CA PHE A 169 30.230 26.407 -22.243 1.00 25.29 C ATOM 1323 C PHE A 169 30.030 27.106 -20.897 1.00 26.02 C ATOM 1324 O PHE A 169 30.403 28.260 -20.734 1.00 25.21 O ATOM 1325 CB PHE A 169 31.347 25.355 -22.154 1.00 24.73 C ATOM 1326 CG PHE A 169 32.715 25.921 -21.835 1.00 25.09 C ATOM 1327 CD1 PHE A 169 33.543 26.384 -22.852 1.00 23.60 C ATOM 1328 CD2 PHE A 169 33.185 25.952 -20.513 1.00 24.92 C ATOM 1329 CE1 PHE A 169 34.802 26.889 -22.574 1.00 24.47 C ATOM 1330 CE2 PHE A 169 34.459 26.454 -20.223 1.00 25.11 C ATOM 1331 CZ PHE A 169 35.265 26.930 -21.257 1.00 25.19 C ATOM 0 H PHE A 169 30.935 27.970 -23.210 1.00 23.98 H new ATOM 0 HA PHE A 169 29.385 25.967 -22.425 1.00 25.29 H new ATOM 0 HB2 PHE A 169 31.111 24.705 -21.473 1.00 24.73 H new ATOM 0 HB3 PHE A 169 31.395 24.878 -22.997 1.00 24.73 H new ATOM 0 HD1 PHE A 169 33.246 26.354 -23.733 1.00 23.60 H new ATOM 0 HD2 PHE A 169 32.646 25.636 -19.824 1.00 24.92 H new ATOM 0 HE1 PHE A 169 35.340 27.201 -23.265 1.00 24.47 H new ATOM 0 HE2 PHE A 169 34.766 26.470 -19.345 1.00 25.11 H new ATOM 0 HZ PHE A 169 36.109 27.274 -21.070 1.00 25.19 H new ATOM 1332 N VAL A 170 29.431 26.394 -19.946 1.00 24.50 N ATOM 1333 CA VAL A 170 29.246 26.922 -18.611 1.00 24.19 C ATOM 1334 C VAL A 170 30.441 26.480 -17.795 1.00 24.41 C ATOM 1335 O VAL A 170 30.607 25.293 -17.587 1.00 22.57 O ATOM 1336 CB VAL A 170 27.934 26.378 -17.969 1.00 26.10 C ATOM 1337 CG1 VAL A 170 27.679 27.022 -16.619 1.00 25.37 C ATOM 1338 CG2 VAL A 170 26.730 26.564 -18.900 1.00 24.14 C ATOM 0 H VAL A 170 29.125 25.599 -20.061 1.00 24.50 H new ATOM 0 HA VAL A 170 29.173 27.889 -18.639 1.00 24.19 H new ATOM 0 HB VAL A 170 28.053 25.425 -17.831 1.00 26.10 H new ATOM 0 HG11 VAL A 170 26.859 26.668 -16.241 1.00 25.37 H new ATOM 0 HG12 VAL A 170 28.419 26.828 -16.023 1.00 25.37 H new ATOM 0 HG13 VAL A 170 27.595 27.982 -16.729 1.00 25.37 H new ATOM 0 HG21 VAL A 170 25.932 26.216 -18.471 1.00 24.14 H new ATOM 0 HG22 VAL A 170 26.609 27.508 -19.089 1.00 24.14 H new ATOM 0 HG23 VAL A 170 26.885 26.086 -19.730 1.00 24.14 H new ATOM 1339 N PRO A 171 31.279 27.434 -17.310 1.00 26.55 N ATOM 1340 CA PRO A 171 32.492 27.034 -16.597 1.00 27.51 C ATOM 1341 C PRO A 171 32.175 26.385 -15.253 1.00 30.62 C ATOM 1342 O PRO A 171 31.125 26.654 -14.654 1.00 29.40 O ATOM 1343 CB PRO A 171 33.235 28.355 -16.395 1.00 28.92 C ATOM 1344 CG PRO A 171 32.157 29.381 -16.340 1.00 29.20 C ATOM 1345 CD PRO A 171 31.094 28.902 -17.295 1.00 27.90 C ATOM 0 HA PRO A 171 33.005 26.371 -17.086 1.00 27.51 H new ATOM 0 HB2 PRO A 171 33.757 28.346 -15.577 1.00 28.92 H new ATOM 0 HB3 PRO A 171 33.852 28.529 -17.123 1.00 28.92 H new ATOM 0 HG2 PRO A 171 31.804 29.469 -15.441 1.00 29.20 H new ATOM 0 HG3 PRO A 171 32.492 30.253 -16.600 1.00 29.20 H new ATOM 0 HD2 PRO A 171 30.206 29.147 -16.993 1.00 27.90 H new ATOM 0 HD3 PRO A 171 31.209 29.285 -18.179 1.00 27.90 H new ATOM 1346 N VAL A 172 33.071 25.519 -14.795 1.00 31.34 N ATOM 1347 CA VAL A 172 32.852 24.793 -13.561 1.00 34.60 C ATOM 1348 C VAL A 172 32.752 25.763 -12.363 1.00 37.75 C ATOM 1349 O VAL A 172 32.144 25.446 -11.315 1.00 35.68 O ATOM 1350 CB VAL A 172 33.914 23.677 -13.403 1.00 37.43 C ATOM 1351 CG1 VAL A 172 35.277 24.253 -13.018 1.00 40.22 C ATOM 1352 CG2 VAL A 172 33.447 22.621 -12.416 1.00 36.62 C ATOM 0 H VAL A 172 33.814 25.340 -15.189 1.00 31.34 H new ATOM 0 HA VAL A 172 31.995 24.340 -13.589 1.00 34.60 H new ATOM 0 HB VAL A 172 34.024 23.244 -14.264 1.00 37.43 H new ATOM 0 HG11 VAL A 172 35.919 23.532 -12.927 1.00 40.22 H new ATOM 0 HG12 VAL A 172 35.576 24.866 -13.708 1.00 40.22 H new ATOM 0 HG13 VAL A 172 35.202 24.727 -12.175 1.00 40.22 H new ATOM 0 HG21 VAL A 172 34.126 21.933 -12.332 1.00 36.62 H new ATOM 0 HG22 VAL A 172 33.295 23.032 -11.550 1.00 36.62 H new ATOM 0 HG23 VAL A 172 32.622 22.223 -12.734 1.00 36.62 H new ATOM 1353 N GLU A 173 33.313 26.961 -12.564 1.00 37.84 N ATOM 1354 CA GLU A 173 33.235 28.097 -11.634 1.00 40.08 C ATOM 1355 C GLU A 173 31.801 28.470 -11.311 1.00 40.27 C ATOM 1356 O GLU A 173 31.464 28.698 -10.154 1.00 40.07 O ATOM 1357 CB GLU A 173 33.912 29.345 -12.235 1.00 40.10 C ATOM 1358 CG GLU A 173 35.426 29.361 -12.126 1.00 45.23 C ATOM 1359 CD GLU A 173 36.108 28.241 -12.902 1.00 48.62 C ATOM 1360 OE1 GLU A 173 35.554 27.764 -13.935 1.00 43.67 O ATOM 1361 OE2 GLU A 173 37.209 27.837 -12.461 1.00 50.77 O ATOM 0 H GLU A 173 33.766 27.141 -13.272 1.00 37.84 H new ATOM 0 HA GLU A 173 33.688 27.814 -10.825 1.00 40.08 H new ATOM 0 HB2 GLU A 173 33.667 29.412 -13.171 1.00 40.10 H new ATOM 0 HB3 GLU A 173 33.560 30.133 -11.793 1.00 40.10 H new ATOM 0 HG2 GLU A 173 35.756 30.214 -12.448 1.00 45.23 H new ATOM 0 HG3 GLU A 173 35.676 29.294 -11.191 1.00 45.23 H new ATOM 1362 N SER A 174 30.987 28.586 -12.357 1.00 40.21 N ATOM 1363 CA SER A 174 29.575 28.871 -12.225 1.00 38.85 C ATOM 1364 C SER A 174 28.849 27.782 -11.431 1.00 40.02 C ATOM 1365 O SER A 174 27.901 28.071 -10.720 1.00 37.81 O ATOM 1366 CB SER A 174 28.962 29.040 -13.598 1.00 39.91 C ATOM 1367 OG SER A 174 29.580 30.114 -14.286 1.00 42.91 O ATOM 0 H SER A 174 31.249 28.499 -13.171 1.00 40.21 H new ATOM 0 HA SER A 174 29.475 29.697 -11.727 1.00 38.85 H new ATOM 0 HB2 SER A 174 29.064 28.221 -14.107 1.00 39.91 H new ATOM 0 HB3 SER A 174 28.010 29.206 -13.515 1.00 39.91 H new ATOM 0 HG SER A 174 28.991 30.593 -14.645 1.00 42.91 H new ATOM 1368 N MET A 175 29.308 26.538 -11.532 1.00 40.87 N ATOM 1369 CA MET A 175 28.763 25.461 -10.704 1.00 42.86 C ATOM 1370 C MET A 175 29.144 25.628 -9.233 1.00 48.19 C ATOM 1371 O MET A 175 28.314 25.439 -8.338 1.00 46.76 O ATOM 1372 CB MET A 175 29.227 24.103 -11.210 1.00 40.56 C ATOM 1373 CG MET A 175 28.774 23.807 -12.626 1.00 40.92 C ATOM 1374 SD MET A 175 29.599 22.371 -13.319 1.00 46.04 S ATOM 1375 CE MET A 175 29.280 22.646 -15.058 1.00 43.27 C ATOM 0 H MET A 175 29.932 26.295 -12.071 1.00 40.87 H new ATOM 0 HA MET A 175 27.797 25.510 -10.771 1.00 42.86 H new ATOM 0 HB2 MET A 175 30.195 24.064 -11.172 1.00 40.56 H new ATOM 0 HB3 MET A 175 28.891 23.412 -10.618 1.00 40.56 H new ATOM 0 HG2 MET A 175 27.815 23.661 -12.633 1.00 40.92 H new ATOM 0 HG3 MET A 175 28.947 24.579 -13.187 1.00 40.92 H new ATOM 0 HE1 MET A 175 30.033 22.328 -15.580 1.00 43.27 H new ATOM 0 HE2 MET A 175 28.479 22.165 -15.320 1.00 43.27 H new ATOM 0 HE3 MET A 175 29.154 23.594 -15.218 1.00 43.27 H new ATOM 1376 N GLU A 176 30.404 25.984 -8.995 1.00 52.15 N ATOM 1377 CA GLU A 176 30.902 26.230 -7.645 1.00 55.43 C ATOM 1378 C GLU A 176 30.214 27.444 -7.024 1.00 54.40 C ATOM 1379 O GLU A 176 29.917 27.427 -5.835 1.00 55.18 O ATOM 1380 CB GLU A 176 32.426 26.399 -7.639 1.00 58.66 C ATOM 1381 CG GLU A 176 33.211 25.119 -7.907 1.00 62.18 C ATOM 1382 CD GLU A 176 34.588 25.379 -8.523 1.00 71.23 C ATOM 1383 OE1 GLU A 176 35.002 26.562 -8.653 1.00 74.22 O ATOM 1384 OE2 GLU A 176 35.266 24.392 -8.888 1.00 69.05 O ATOM 0 H GLU A 176 30.994 26.090 -9.612 1.00 52.15 H new ATOM 0 HA GLU A 176 30.689 25.454 -7.103 1.00 55.43 H new ATOM 0 HB2 GLU A 176 32.669 27.058 -8.308 1.00 58.66 H new ATOM 0 HB3 GLU A 176 32.696 26.755 -6.778 1.00 58.66 H new ATOM 0 HG2 GLU A 176 33.321 24.633 -7.075 1.00 62.18 H new ATOM 0 HG3 GLU A 176 32.698 24.550 -8.502 1.00 62.18 H new ATOM 1385 N THR A 177 29.955 28.480 -7.828 1.00 52.89 N ATOM 1386 CA THR A 177 29.150 29.626 -7.384 1.00 53.74 C ATOM 1387 C THR A 177 27.691 29.231 -7.096 1.00 53.50 C ATOM 1388 O THR A 177 27.253 29.371 -5.952 1.00 52.31 O ATOM 1389 CB THR A 177 29.207 30.824 -8.363 1.00 54.78 C ATOM 1390 OG1 THR A 177 30.558 31.289 -8.472 1.00 61.29 O ATOM 1391 CG2 THR A 177 28.337 31.978 -7.862 1.00 52.25 C ATOM 0 H THR A 177 30.237 28.539 -8.638 1.00 52.89 H new ATOM 0 HA THR A 177 29.554 29.919 -6.552 1.00 53.74 H new ATOM 0 HB THR A 177 28.878 30.526 -9.226 1.00 54.78 H new ATOM 0 HG1 THR A 177 31.000 30.758 -8.950 1.00 61.29 H new ATOM 0 HG21 THR A 177 28.387 32.717 -8.489 1.00 52.25 H new ATOM 0 HG22 THR A 177 27.417 31.681 -7.786 1.00 52.25 H new ATOM 0 HG23 THR A 177 28.655 32.270 -6.993 1.00 52.25 H new ATOM 1392 N THR A 178 26.957 28.742 -8.112 1.00 49.12 N ATOM 1393 CA THR A 178 25.563 28.258 -7.933 1.00 47.53 C ATOM 1394 C THR A 178 25.392 27.470 -6.620 1.00 47.12 C ATOM 1395 O THR A 178 24.408 27.660 -5.901 1.00 51.21 O ATOM 1396 CB THR A 178 25.025 27.416 -9.134 1.00 43.40 C ATOM 1397 OG1 THR A 178 25.108 28.165 -10.358 1.00 39.03 O ATOM 1398 CG2 THR A 178 23.553 27.042 -8.920 1.00 41.78 C ATOM 0 H THR A 178 27.247 28.680 -8.919 1.00 49.12 H new ATOM 0 HA THR A 178 25.026 29.065 -7.892 1.00 47.53 H new ATOM 0 HB THR A 178 25.571 26.616 -9.190 1.00 43.40 H new ATOM 0 HG1 THR A 178 25.910 28.211 -10.605 1.00 39.03 H new ATOM 0 HG21 THR A 178 23.238 26.521 -9.675 1.00 41.78 H new ATOM 0 HG22 THR A 178 23.467 26.519 -8.108 1.00 41.78 H new ATOM 0 HG23 THR A 178 23.022 27.850 -8.842 1.00 41.78 H new ATOM 1399 N MET A 179 26.351 26.596 -6.312 1.00 48.94 N ATOM 1400 CA MET A 179 26.375 25.899 -5.020 1.00 49.77 C ATOM 1401 C MET A 179 26.841 26.839 -3.920 1.00 51.11 C ATOM 1402 O MET A 179 26.152 27.015 -2.930 1.00 55.62 O ATOM 1403 CB MET A 179 27.306 24.700 -5.072 1.00 50.88 C ATOM 1404 CG MET A 179 26.908 23.660 -6.095 1.00 51.44 C ATOM 1405 SD MET A 179 28.089 22.307 -6.131 1.00 55.10 S ATOM 1406 CE MET A 179 27.539 21.313 -4.737 1.00 53.02 C ATOM 0 H MET A 179 27.000 26.391 -6.838 1.00 48.94 H new ATOM 0 HA MET A 179 25.473 25.596 -4.830 1.00 49.77 H new ATOM 0 HB2 MET A 179 28.205 25.008 -5.269 1.00 50.88 H new ATOM 0 HB3 MET A 179 27.334 24.285 -4.196 1.00 50.88 H new ATOM 0 HG2 MET A 179 26.025 23.317 -5.886 1.00 51.44 H new ATOM 0 HG3 MET A 179 26.853 24.069 -6.973 1.00 51.44 H new ATOM 0 HE1 MET A 179 28.110 20.534 -4.649 1.00 53.02 H new ATOM 0 HE2 MET A 179 27.585 21.841 -3.925 1.00 53.02 H new ATOM 0 HE3 MET A 179 26.624 21.027 -4.884 1.00 53.02 H new TER 1407 MET A 179 ATOM 1408 N GLY B -14 17.333 0.175 17.024 1.00 29.33 N ATOM 1409 CA GLY B -14 16.279 1.129 16.607 1.00 26.99 C ATOM 1410 C GLY B -14 16.954 2.413 16.186 1.00 26.06 C ATOM 1411 O GLY B -14 18.128 2.620 16.509 1.00 26.50 O ATOM 0 H1 GLY B -14 17.002 -0.651 17.025 1.00 29.33 H new ATOM 0 H2 GLY B -14 18.016 0.220 16.455 1.00 29.33 H new ATOM 0 H3 GLY B -14 17.615 0.383 17.842 1.00 29.33 H new ATOM 0 HA2 GLY B -14 15.760 0.762 15.874 1.00 26.99 H new ATOM 0 HA3 GLY B -14 15.662 1.294 17.337 1.00 26.99 H new ATOM 1412 N SER B -13 16.216 3.285 15.498 1.00 22.58 N ATOM 1413 CA SER B -13 16.785 4.549 15.048 1.00 21.75 C ATOM 1414 C SER B -13 17.047 5.558 16.170 1.00 21.69 C ATOM 1415 O SER B -13 16.465 5.492 17.276 1.00 21.91 O ATOM 1416 CB SER B -13 15.914 5.186 13.975 1.00 20.97 C ATOM 1417 OG SER B -13 15.956 4.417 12.790 1.00 21.74 O ATOM 0 H SER B -13 15.392 3.163 15.285 1.00 22.58 H new ATOM 0 HA SER B -13 17.652 4.319 14.680 1.00 21.75 H new ATOM 0 HB2 SER B -13 14.999 5.255 14.291 1.00 20.97 H new ATOM 0 HB3 SER B -13 16.221 6.088 13.794 1.00 20.97 H new ATOM 0 HG SER B -13 15.621 3.660 12.935 1.00 21.74 H new ATOM 1418 N VAL B -12 17.939 6.490 15.869 1.00 18.98 N ATOM 1419 CA VAL B -12 18.047 7.716 16.626 1.00 18.59 C ATOM 1420 C VAL B -12 16.857 8.594 16.215 1.00 17.46 C ATOM 1421 O VAL B -12 16.481 8.644 15.043 1.00 17.46 O ATOM 1422 CB VAL B -12 19.405 8.395 16.351 1.00 19.21 C ATOM 1423 CG1 VAL B -12 19.467 9.772 17.022 1.00 18.28 C ATOM 1424 CG2 VAL B -12 20.527 7.485 16.853 1.00 17.09 C ATOM 0 H VAL B -12 18.498 6.426 15.218 1.00 18.98 H new ATOM 0 HA VAL B -12 18.017 7.555 17.582 1.00 18.59 H new ATOM 0 HB VAL B -12 19.512 8.533 15.397 1.00 19.21 H new ATOM 0 HG11 VAL B -12 20.326 10.183 16.839 1.00 18.28 H new ATOM 0 HG12 VAL B -12 18.759 10.335 16.672 1.00 18.28 H new ATOM 0 HG13 VAL B -12 19.356 9.671 17.980 1.00 18.28 H new ATOM 0 HG21 VAL B -12 21.385 7.905 16.684 1.00 17.09 H new ATOM 0 HG22 VAL B -12 20.422 7.337 17.806 1.00 17.09 H new ATOM 0 HG23 VAL B -12 20.487 6.635 16.388 1.00 17.09 H new ATOM 1425 N VAL B -11 16.241 9.232 17.206 1.00 16.74 N ATOM 1426 CA VAL B -11 15.011 9.986 17.036 1.00 15.97 C ATOM 1427 C VAL B -11 15.195 11.409 17.589 1.00 16.30 C ATOM 1428 O VAL B -11 15.637 11.588 18.728 1.00 15.50 O ATOM 1429 CB VAL B -11 13.846 9.335 17.824 1.00 15.91 C ATOM 1430 CG1 VAL B -11 12.590 10.199 17.728 1.00 15.23 C ATOM 1431 CG2 VAL B -11 13.571 7.904 17.329 1.00 16.07 C ATOM 0 H VAL B -11 16.536 9.237 18.014 1.00 16.74 H new ATOM 0 HA VAL B -11 14.804 9.999 16.088 1.00 15.97 H new ATOM 0 HB VAL B -11 14.106 9.277 18.757 1.00 15.91 H new ATOM 0 HG11 VAL B -11 11.870 9.780 18.225 1.00 15.23 H new ATOM 0 HG12 VAL B -11 12.771 11.076 18.100 1.00 15.23 H new ATOM 0 HG13 VAL B -11 12.330 10.290 16.798 1.00 15.23 H new ATOM 0 HG21 VAL B -11 12.839 7.521 17.837 1.00 16.07 H new ATOM 0 HG22 VAL B -11 13.334 7.927 16.389 1.00 16.07 H new ATOM 0 HG23 VAL B -11 14.366 7.362 17.448 1.00 16.07 H new ATOM 1432 N ILE B -10 14.853 12.415 16.793 1.00 15.92 N ATOM 1433 CA ILE B -10 14.842 13.779 17.319 1.00 17.80 C ATOM 1434 C ILE B -10 13.681 13.971 18.321 1.00 17.60 C ATOM 1435 O ILE B -10 12.521 13.761 17.974 1.00 18.27 O ATOM 1436 CB ILE B -10 14.774 14.798 16.180 1.00 18.32 C ATOM 1437 CG1 ILE B -10 16.104 14.754 15.401 1.00 19.24 C ATOM 1438 CG2 ILE B -10 14.499 16.202 16.740 1.00 20.05 C ATOM 1439 CD1 ILE B -10 16.027 15.354 14.003 1.00 18.44 C ATOM 0 H ILE B -10 14.629 12.336 15.966 1.00 15.92 H new ATOM 0 HA ILE B -10 15.671 13.929 17.799 1.00 17.80 H new ATOM 0 HB ILE B -10 14.047 14.579 15.577 1.00 18.32 H new ATOM 0 HG12 ILE B -10 16.781 15.228 15.909 1.00 19.24 H new ATOM 0 HG13 ILE B -10 16.396 13.832 15.331 1.00 19.24 H new ATOM 0 HG21 ILE B -10 14.458 16.839 16.010 1.00 20.05 H new ATOM 0 HG22 ILE B -10 13.654 16.201 17.216 1.00 20.05 H new ATOM 0 HG23 ILE B -10 15.212 16.453 17.348 1.00 20.05 H new ATOM 0 HD11 ILE B -10 16.896 15.292 13.576 1.00 18.44 H new ATOM 0 HD12 ILE B -10 15.373 14.868 13.477 1.00 18.44 H new ATOM 0 HD13 ILE B -10 15.764 16.286 14.065 1.00 18.44 H new ATOM 1440 N VAL B -9 14.002 14.308 19.567 1.00 18.65 N ATOM 1441 CA VAL B -9 12.970 14.495 20.614 1.00 18.77 C ATOM 1442 C VAL B -9 12.861 15.962 21.088 1.00 19.64 C ATOM 1443 O VAL B -9 12.021 16.288 21.931 1.00 21.68 O ATOM 1444 CB VAL B -9 13.196 13.586 21.850 1.00 18.87 C ATOM 1445 CG1 VAL B -9 13.086 12.113 21.469 1.00 18.98 C ATOM 1446 CG2 VAL B -9 14.531 13.903 22.538 1.00 18.04 C ATOM 0 H VAL B -9 14.809 14.435 19.837 1.00 18.65 H new ATOM 0 HA VAL B -9 12.138 14.240 20.186 1.00 18.77 H new ATOM 0 HB VAL B -9 12.495 13.772 22.494 1.00 18.87 H new ATOM 0 HG11 VAL B -9 13.230 11.564 22.255 1.00 18.98 H new ATOM 0 HG12 VAL B -9 12.202 11.937 21.110 1.00 18.98 H new ATOM 0 HG13 VAL B -9 13.755 11.901 20.800 1.00 18.98 H new ATOM 0 HG21 VAL B -9 14.646 13.321 23.306 1.00 18.04 H new ATOM 0 HG22 VAL B -9 15.259 13.761 21.913 1.00 18.04 H new ATOM 0 HG23 VAL B -9 14.533 14.828 22.831 1.00 18.04 H new ATOM 1447 N GLY B -8 13.733 16.824 20.579 1.00 19.38 N ATOM 1448 CA GLY B -8 13.657 18.253 20.848 1.00 19.34 C ATOM 1449 C GLY B -8 14.684 18.993 20.030 1.00 19.53 C ATOM 1450 O GLY B -8 15.399 18.373 19.245 1.00 20.14 O ATOM 0 H GLY B -8 14.386 16.596 20.068 1.00 19.38 H new ATOM 0 HA2 GLY B -8 12.769 18.581 20.638 1.00 19.34 H new ATOM 0 HA3 GLY B -8 13.805 18.419 21.792 1.00 19.34 H new ATOM 1451 N ARG B -7 14.768 20.313 20.204 1.00 19.51 N ATOM 1452 CA ARG B -7 15.769 21.124 19.507 1.00 21.05 C ATOM 1453 C ARG B -7 16.212 22.327 20.328 1.00 22.29 C ATOM 1454 O ARG B -7 15.518 22.747 21.253 1.00 22.06 O ATOM 1455 CB ARG B -7 15.302 21.562 18.108 1.00 19.88 C ATOM 1456 CG ARG B -7 14.268 22.671 18.074 1.00 21.10 C ATOM 1457 CD ARG B -7 12.918 22.165 18.508 1.00 20.82 C ATOM 1458 NE ARG B -7 11.813 22.994 18.041 1.00 22.68 N ATOM 1459 CZ ARG B -7 11.089 22.803 16.934 1.00 20.69 C ATOM 1460 NH1 ARG B -7 11.364 21.850 16.047 1.00 19.19 N ATOM 1461 NH2 ARG B -7 10.110 23.641 16.696 1.00 19.87 N ATOM 0 H ARG B -7 14.251 20.761 20.725 1.00 19.51 H new ATOM 0 HA ARG B -7 16.540 20.547 19.390 1.00 21.05 H new ATOM 0 HB2 ARG B -7 16.078 21.851 17.602 1.00 19.88 H new ATOM 0 HB3 ARG B -7 14.937 20.788 17.651 1.00 19.88 H new ATOM 0 HG2 ARG B -7 14.547 23.396 18.655 1.00 21.10 H new ATOM 0 HG3 ARG B -7 14.208 23.034 17.176 1.00 21.10 H new ATOM 0 HD2 ARG B -7 12.797 21.261 18.178 1.00 20.82 H new ATOM 0 HD3 ARG B -7 12.893 22.119 19.477 1.00 20.82 H new ATOM 0 HE ARG B -7 11.607 23.673 18.526 1.00 22.68 H new ATOM 0 HH11 ARG B -7 12.033 21.324 16.174 1.00 19.19 H new ATOM 0 HH12 ARG B -7 10.873 21.760 15.347 1.00 19.19 H new ATOM 0 HH21 ARG B -7 9.953 24.285 17.243 1.00 19.87 H new ATOM 0 HH22 ARG B -7 9.625 23.547 15.992 1.00 19.87 H new ATOM 1462 N ILE B -6 17.387 22.860 19.986 1.00 23.52 N ATOM 1463 CA ILE B -6 17.936 24.054 20.638 1.00 24.96 C ATOM 1464 C ILE B -6 18.141 25.062 19.530 1.00 27.23 C ATOM 1465 O ILE B -6 18.791 24.769 18.527 1.00 28.84 O ATOM 1466 CB ILE B -6 19.246 23.738 21.391 1.00 24.46 C ATOM 1467 CG1 ILE B -6 18.929 22.874 22.617 1.00 23.81 C ATOM 1468 CG2 ILE B -6 19.959 25.016 21.837 1.00 26.17 C ATOM 1469 CD1 ILE B -6 20.060 21.978 23.067 1.00 23.29 C ATOM 0 H ILE B -6 17.890 22.539 19.367 1.00 23.52 H new ATOM 0 HA ILE B -6 17.336 24.400 21.317 1.00 24.96 H new ATOM 0 HB ILE B -6 19.836 23.261 20.787 1.00 24.46 H new ATOM 0 HG12 ILE B -6 18.681 23.456 23.352 1.00 23.81 H new ATOM 0 HG13 ILE B -6 18.156 22.323 22.418 1.00 23.81 H new ATOM 0 HG21 ILE B -6 20.776 24.784 22.306 1.00 26.17 H new ATOM 0 HG22 ILE B -6 20.174 25.555 21.060 1.00 26.17 H new ATOM 0 HG23 ILE B -6 19.379 25.521 22.429 1.00 26.17 H new ATOM 0 HD11 ILE B -6 19.780 21.468 23.843 1.00 23.29 H new ATOM 0 HD12 ILE B -6 20.297 21.370 22.349 1.00 23.29 H new ATOM 0 HD13 ILE B -6 20.830 22.520 23.298 1.00 23.29 H new ATOM 1470 N ILE B -5 17.519 26.217 19.678 1.00 28.43 N ATOM 1471 CA ILE B -5 17.557 27.256 18.659 1.00 31.38 C ATOM 1472 C ILE B -5 18.526 28.336 19.149 1.00 31.98 C ATOM 1473 O ILE B -5 18.423 28.798 20.280 1.00 31.78 O ATOM 1474 CB ILE B -5 16.139 27.806 18.410 1.00 32.78 C ATOM 1475 CG1 ILE B -5 15.301 26.746 17.681 1.00 34.45 C ATOM 1476 CG2 ILE B -5 16.185 29.123 17.622 1.00 33.95 C ATOM 1477 CD1 ILE B -5 13.859 26.655 18.136 1.00 38.21 C ATOM 0 H ILE B -5 17.060 26.425 20.375 1.00 28.43 H new ATOM 0 HA ILE B -5 17.868 26.910 17.808 1.00 31.38 H new ATOM 0 HB ILE B -5 15.722 28.002 19.263 1.00 32.78 H new ATOM 0 HG12 ILE B -5 15.316 26.938 16.730 1.00 34.45 H new ATOM 0 HG13 ILE B -5 15.721 25.880 17.802 1.00 34.45 H new ATOM 0 HG21 ILE B -5 15.282 29.447 17.479 1.00 33.95 H new ATOM 0 HG22 ILE B -5 16.689 29.783 18.123 1.00 33.95 H new ATOM 0 HG23 ILE B -5 16.613 28.973 16.765 1.00 33.95 H new ATOM 0 HD11 ILE B -5 13.402 25.966 17.629 1.00 38.21 H new ATOM 0 HD12 ILE B -5 13.831 26.433 19.080 1.00 38.21 H new ATOM 0 HD13 ILE B -5 13.419 27.507 17.991 1.00 38.21 H new ATOM 1478 N LEU B -4 19.510 28.686 18.330 1.00 34.30 N ATOM 1479 CA LEU B -4 20.534 29.660 18.761 1.00 38.20 C ATOM 1480 C LEU B -4 20.206 31.067 18.298 1.00 40.51 C ATOM 1481 O LEU B -4 19.534 31.243 17.282 1.00 40.90 O ATOM 1482 CB LEU B -4 21.923 29.278 18.239 1.00 36.39 C ATOM 1483 CG LEU B -4 22.463 27.898 18.581 1.00 36.27 C ATOM 1484 CD1 LEU B -4 23.743 27.683 17.798 1.00 35.10 C ATOM 1485 CD2 LEU B -4 22.705 27.731 20.078 1.00 35.45 C ATOM 0 H LEU B -4 19.611 28.383 17.532 1.00 34.30 H new ATOM 0 HA LEU B -4 20.537 29.640 19.731 1.00 38.20 H new ATOM 0 HB2 LEU B -4 21.910 29.360 17.273 1.00 36.39 H new ATOM 0 HB3 LEU B -4 22.555 29.935 18.571 1.00 36.39 H new ATOM 0 HG LEU B -4 21.803 27.230 18.337 1.00 36.27 H new ATOM 0 HD11 LEU B -4 24.104 26.806 18.003 1.00 35.10 H new ATOM 0 HD12 LEU B -4 23.555 27.741 16.848 1.00 35.10 H new ATOM 0 HD13 LEU B -4 24.390 28.364 18.042 1.00 35.10 H new ATOM 0 HD21 LEU B -4 23.048 26.841 20.253 1.00 35.45 H new ATOM 0 HD22 LEU B -4 23.351 28.390 20.377 1.00 35.45 H new ATOM 0 HD23 LEU B -4 21.871 27.856 20.557 1.00 35.45 H new ATOM 1486 N SER B -3 20.674 32.060 19.053 1.00 46.71 N ATOM 1487 CA SER B -3 20.619 33.457 18.618 1.00 53.06 C ATOM 1488 C SER B -3 21.655 33.658 17.516 1.00 55.59 C ATOM 1489 O SER B -3 21.405 34.344 16.529 1.00 62.98 O ATOM 1490 CB SER B -3 20.945 34.388 19.781 1.00 53.85 C ATOM 1491 OG SER B -3 22.326 34.278 20.109 1.00 55.27 O ATOM 0 H SER B -3 21.030 31.945 19.827 1.00 46.71 H new ATOM 0 HA SER B -3 19.727 33.660 18.295 1.00 53.06 H new ATOM 0 HB2 SER B -3 20.732 35.304 19.543 1.00 53.85 H new ATOM 0 HB3 SER B -3 20.401 34.161 20.551 1.00 53.85 H new ATOM 0 HG SER B -3 22.601 35.010 20.416 1.00 55.27 H new ATOM 1492 N GLY B 1 23.832 39.939 19.351 1.00 51.84 N ATOM 1493 CA GLY B 1 24.896 40.259 20.303 1.00 54.56 C ATOM 1494 C GLY B 1 25.645 39.026 20.779 1.00 54.72 C ATOM 1495 O GLY B 1 26.243 38.313 19.966 1.00 58.84 O ATOM 0 H1 GLY B 1 23.422 40.688 19.101 1.00 51.84 H new ATOM 0 H2 GLY B 1 24.182 39.540 18.637 1.00 51.84 H new ATOM 0 H3 GLY B 1 23.243 39.394 19.736 1.00 51.84 H new ATOM 0 HA2 GLY B 1 25.522 40.873 19.889 1.00 54.56 H new ATOM 0 HA3 GLY B 1 24.514 40.716 21.068 1.00 54.56 H new ATOM 1496 N PRO B 2 25.616 38.755 22.099 1.00 54.57 N ATOM 1497 CA PRO B 2 26.302 37.563 22.605 1.00 53.26 C ATOM 1498 C PRO B 2 25.446 36.319 22.346 1.00 51.41 C ATOM 1499 O PRO B 2 24.256 36.449 22.032 1.00 50.46 O ATOM 1500 CB PRO B 2 26.446 37.850 24.102 1.00 53.28 C ATOM 1501 CG PRO B 2 25.286 38.745 24.427 1.00 55.43 C ATOM 1502 CD PRO B 2 24.836 39.430 23.156 1.00 55.09 C ATOM 0 HA PRO B 2 27.157 37.390 22.180 1.00 53.26 H new ATOM 0 HB2 PRO B 2 26.418 37.032 24.623 1.00 53.28 H new ATOM 0 HB3 PRO B 2 27.292 38.282 24.299 1.00 53.28 H new ATOM 0 HG2 PRO B 2 24.558 38.229 24.807 1.00 55.43 H new ATOM 0 HG3 PRO B 2 25.544 39.403 25.091 1.00 55.43 H new ATOM 0 HD2 PRO B 2 23.882 39.328 23.015 1.00 55.09 H new ATOM 0 HD3 PRO B 2 25.019 40.382 23.181 1.00 55.09 H new ATOM 1503 N ILE B 3 26.044 35.135 22.449 1.00 45.40 N ATOM 1504 CA ILE B 3 25.346 33.919 22.053 1.00 42.72 C ATOM 1505 C ILE B 3 24.302 33.503 23.095 1.00 38.07 C ATOM 1506 O ILE B 3 24.639 33.272 24.248 1.00 39.11 O ATOM 1507 CB ILE B 3 26.332 32.768 21.743 1.00 42.53 C ATOM 1508 CG1 ILE B 3 27.201 33.142 20.534 1.00 42.86 C ATOM 1509 CG2 ILE B 3 25.574 31.472 21.462 1.00 41.52 C ATOM 1510 CD1 ILE B 3 28.465 32.326 20.406 1.00 41.87 C ATOM 0 H ILE B 3 26.844 35.016 22.742 1.00 45.40 H new ATOM 0 HA ILE B 3 24.870 34.117 21.231 1.00 42.72 H new ATOM 0 HB ILE B 3 26.901 32.628 22.516 1.00 42.53 H new ATOM 0 HG12 ILE B 3 26.676 33.036 19.725 1.00 42.86 H new ATOM 0 HG13 ILE B 3 27.438 34.080 20.597 1.00 42.86 H new ATOM 0 HG21 ILE B 3 26.206 30.762 21.270 1.00 41.52 H new ATOM 0 HG22 ILE B 3 25.045 31.232 22.239 1.00 41.52 H new ATOM 0 HG23 ILE B 3 24.989 31.598 20.699 1.00 41.52 H new ATOM 0 HD11 ILE B 3 28.960 32.617 19.624 1.00 41.87 H new ATOM 0 HD12 ILE B 3 29.011 32.449 21.198 1.00 41.87 H new ATOM 0 HD13 ILE B 3 28.237 31.388 20.313 1.00 41.87 H new ATOM 1511 N THR B 4 23.038 33.442 22.681 1.00 35.77 N ATOM 1512 CA THR B 4 21.969 32.848 23.511 1.00 37.82 C ATOM 1513 C THR B 4 21.274 31.650 22.837 1.00 34.10 C ATOM 1514 O THR B 4 21.363 31.445 21.620 1.00 32.60 O ATOM 1515 CB THR B 4 20.882 33.869 23.954 1.00 41.54 C ATOM 1516 OG1 THR B 4 20.209 34.409 22.807 1.00 42.76 O ATOM 1517 CG2 THR B 4 21.477 35.007 24.811 1.00 42.81 C ATOM 0 H THR B 4 22.770 33.739 21.920 1.00 35.77 H new ATOM 0 HA THR B 4 22.440 32.538 24.300 1.00 37.82 H new ATOM 0 HB THR B 4 20.241 33.393 24.505 1.00 41.54 H new ATOM 0 HG1 THR B 4 19.624 34.957 23.057 1.00 42.76 H new ATOM 0 HG21 THR B 4 20.772 35.622 25.068 1.00 42.81 H new ATOM 0 HG22 THR B 4 21.885 34.633 25.608 1.00 42.81 H new ATOM 0 HG23 THR B 4 22.148 35.482 24.297 1.00 42.81 H new ATOM 1518 N ALA B 5 20.563 30.876 23.646 1.00 30.90 N ATOM 1519 CA ALA B 5 19.914 29.666 23.184 1.00 30.71 C ATOM 1520 C ALA B 5 18.704 29.380 24.048 1.00 30.74 C ATOM 1521 O ALA B 5 18.681 29.717 25.236 1.00 30.28 O ATOM 1522 CB ALA B 5 20.879 28.482 23.243 1.00 27.49 C ATOM 0 H ALA B 5 20.445 31.041 24.482 1.00 30.90 H new ATOM 0 HA ALA B 5 19.636 29.793 22.263 1.00 30.71 H new ATOM 0 HB1 ALA B 5 20.429 27.682 22.931 1.00 27.49 H new ATOM 0 HB2 ALA B 5 21.647 28.662 22.678 1.00 27.49 H new ATOM 0 HB3 ALA B 5 21.174 28.350 24.157 1.00 27.49 H new ATOM 1523 N TYR B 6 17.711 28.738 23.451 1.00 27.69 N ATOM 1524 CA TYR B 6 16.657 28.115 24.225 1.00 26.83 C ATOM 1525 C TYR B 6 16.270 26.778 23.617 1.00 26.28 C ATOM 1526 O TYR B 6 16.506 26.509 22.437 1.00 25.80 O ATOM 1527 CB TYR B 6 15.449 29.032 24.344 1.00 25.05 C ATOM 1528 CG TYR B 6 14.804 29.340 23.036 1.00 25.55 C ATOM 1529 CD1 TYR B 6 13.824 28.500 22.511 1.00 23.99 C ATOM 1530 CD2 TYR B 6 15.175 30.476 22.307 1.00 25.54 C ATOM 1531 CE1 TYR B 6 13.211 28.790 21.312 1.00 24.21 C ATOM 1532 CE2 TYR B 6 14.578 30.760 21.095 1.00 25.96 C ATOM 1533 CZ TYR B 6 13.587 29.916 20.618 1.00 25.76 C ATOM 1534 OH TYR B 6 12.991 30.176 19.413 1.00 28.61 O ATOM 0 H TYR B 6 17.631 28.653 22.599 1.00 27.69 H new ATOM 0 HA TYR B 6 16.993 27.955 25.121 1.00 26.83 H new ATOM 0 HB2 TYR B 6 14.795 28.619 24.929 1.00 25.05 H new ATOM 0 HB3 TYR B 6 15.722 29.862 24.765 1.00 25.05 H new ATOM 0 HD1 TYR B 6 13.580 27.733 22.977 1.00 23.99 H new ATOM 0 HD2 TYR B 6 15.830 31.045 22.642 1.00 25.54 H new ATOM 0 HE1 TYR B 6 12.549 28.230 20.975 1.00 24.21 H new ATOM 0 HE2 TYR B 6 14.837 31.507 20.605 1.00 25.96 H new ATOM 0 HH TYR B 6 13.304 30.887 19.093 1.00 28.61 H new ATOM 1535 N SER B 7 15.661 25.951 24.448 1.00 26.70 N ATOM 1536 CA SER B 7 15.313 24.601 24.087 1.00 26.07 C ATOM 1537 C SER B 7 13.823 24.500 23.847 1.00 25.21 C ATOM 1538 O SER B 7 13.039 25.302 24.375 1.00 27.50 O ATOM 1539 CB SER B 7 15.731 23.673 25.233 1.00 27.63 C ATOM 1540 OG SER B 7 15.731 22.330 24.792 1.00 32.37 O ATOM 0 H SER B 7 15.436 26.166 25.250 1.00 26.70 H new ATOM 0 HA SER B 7 15.770 24.343 23.271 1.00 26.07 H new ATOM 0 HB2 SER B 7 16.614 23.917 25.551 1.00 27.63 H new ATOM 0 HB3 SER B 7 15.122 23.776 25.981 1.00 27.63 H new ATOM 0 HG SER B 7 15.057 21.934 25.099 1.00 32.37 H new ATOM 1541 N GLN B 8 13.419 23.532 23.033 1.00 23.22 N ATOM 1542 CA GLN B 8 12.002 23.174 22.893 1.00 21.16 C ATOM 1543 C GLN B 8 11.880 21.655 22.726 1.00 21.00 C ATOM 1544 O GLN B 8 12.548 21.059 21.860 1.00 17.83 O ATOM 1545 CB GLN B 8 11.372 23.833 21.667 1.00 22.22 C ATOM 1546 CG GLN B 8 11.323 25.342 21.652 1.00 22.63 C ATOM 1547 CD GLN B 8 10.611 25.839 20.421 1.00 25.48 C ATOM 1548 OE1 GLN B 8 10.751 25.260 19.333 1.00 25.35 O ATOM 1549 NE2 GLN B 8 9.817 26.887 20.578 1.00 24.89 N ATOM 0 H GLN B 8 13.951 23.063 22.546 1.00 23.22 H new ATOM 0 HA GLN B 8 11.541 23.482 23.689 1.00 21.16 H new ATOM 0 HB2 GLN B 8 11.860 23.539 20.882 1.00 22.22 H new ATOM 0 HB3 GLN B 8 10.465 23.501 21.578 1.00 22.22 H new ATOM 0 HG2 GLN B 8 10.868 25.663 22.446 1.00 22.63 H new ATOM 0 HG3 GLN B 8 12.224 25.700 21.677 1.00 22.63 H new ATOM 0 HE21 GLN B 8 9.747 27.261 21.349 1.00 24.89 H new ATOM 0 HE22 GLN B 8 9.372 27.193 19.909 1.00 24.89 H new ATOM 1550 N GLN B 9 11.050 21.043 23.566 1.00 18.03 N ATOM 1551 CA GLN B 9 10.677 19.657 23.420 1.00 18.90 C ATOM 1552 C GLN B 9 9.801 19.465 22.168 1.00 18.16 C ATOM 1553 O GLN B 9 8.997 20.339 21.850 1.00 16.90 O ATOM 1554 CB GLN B 9 9.891 19.194 24.654 1.00 18.94 C ATOM 1555 CG GLN B 9 9.658 17.686 24.638 1.00 19.56 C ATOM 1556 CD GLN B 9 9.092 17.149 25.933 1.00 19.89 C ATOM 1557 OE1 GLN B 9 8.644 17.910 26.792 1.00 20.19 O ATOM 1558 NE2 GLN B 9 9.105 15.832 26.077 1.00 18.29 N ATOM 0 H GLN B 9 10.688 21.432 24.242 1.00 18.03 H new ATOM 0 HA GLN B 9 11.487 19.131 23.329 1.00 18.90 H new ATOM 0 HB2 GLN B 9 10.376 19.439 25.458 1.00 18.94 H new ATOM 0 HB3 GLN B 9 9.037 19.654 24.686 1.00 18.94 H new ATOM 0 HG2 GLN B 9 9.052 17.467 23.913 1.00 19.56 H new ATOM 0 HG3 GLN B 9 10.498 17.238 24.450 1.00 19.56 H new ATOM 0 HE21 GLN B 9 9.427 15.334 25.454 1.00 18.29 H new ATOM 0 HE22 GLN B 9 8.792 15.475 26.794 1.00 18.29 H new ATOM 1559 N THR B 10 9.957 18.336 21.471 1.00 16.99 N ATOM 1560 CA THR B 10 9.066 18.019 20.352 1.00 18.44 C ATOM 1561 C THR B 10 8.412 16.637 20.478 1.00 19.07 C ATOM 1562 O THR B 10 7.370 16.415 19.870 1.00 19.32 O ATOM 1563 CB THR B 10 9.765 18.041 18.964 1.00 18.71 C ATOM 1564 OG1 THR B 10 10.865 17.126 18.978 1.00 21.75 O ATOM 1565 CG2 THR B 10 10.257 19.415 18.599 1.00 18.60 C ATOM 0 H THR B 10 10.564 17.748 21.628 1.00 16.99 H new ATOM 0 HA THR B 10 8.402 18.724 20.402 1.00 18.44 H new ATOM 0 HB THR B 10 9.112 17.778 18.297 1.00 18.71 H new ATOM 0 HG1 THR B 10 11.245 17.133 18.229 1.00 21.75 H new ATOM 0 HG21 THR B 10 10.685 19.385 17.729 1.00 18.60 H new ATOM 0 HG22 THR B 10 9.507 20.030 18.569 1.00 18.60 H new ATOM 0 HG23 THR B 10 10.896 19.717 19.263 1.00 18.60 H new ATOM 1566 N ARG B 11 9.034 15.716 21.211 1.00 18.41 N ATOM 1567 CA ARG B 11 8.484 14.376 21.365 1.00 20.56 C ATOM 1568 C ARG B 11 8.505 13.863 22.803 1.00 21.33 C ATOM 1569 O ARG B 11 9.394 14.194 23.605 1.00 20.19 O ATOM 1570 CB ARG B 11 9.237 13.348 20.487 1.00 21.62 C ATOM 1571 CG ARG B 11 9.072 13.529 18.987 1.00 23.12 C ATOM 1572 CD ARG B 11 9.552 12.273 18.245 1.00 24.49 C ATOM 1573 NE ARG B 11 9.084 12.258 16.861 1.00 25.07 N ATOM 1574 CZ ARG B 11 7.896 11.802 16.464 1.00 25.74 C ATOM 1575 NH1 ARG B 11 7.021 11.277 17.339 1.00 24.63 N ATOM 1576 NH2 ARG B 11 7.592 11.850 15.177 1.00 25.91 N ATOM 0 H ARG B 11 9.775 15.849 21.626 1.00 18.41 H new ATOM 0 HA ARG B 11 7.560 14.461 21.082 1.00 20.56 H new ATOM 0 HB2 ARG B 11 10.182 13.393 20.701 1.00 21.62 H new ATOM 0 HB3 ARG B 11 8.934 12.458 20.726 1.00 21.62 H new ATOM 0 HG2 ARG B 11 8.141 13.702 18.776 1.00 23.12 H new ATOM 0 HG3 ARG B 11 9.578 14.301 18.690 1.00 23.12 H new ATOM 0 HD2 ARG B 11 10.521 12.237 18.261 1.00 24.49 H new ATOM 0 HD3 ARG B 11 9.231 11.481 18.705 1.00 24.49 H new ATOM 0 HE ARG B 11 9.614 12.566 16.258 1.00 25.07 H new ATOM 0 HH11 ARG B 11 7.223 11.230 18.174 1.00 24.63 H new ATOM 0 HH12 ARG B 11 6.259 10.988 17.064 1.00 24.63 H new ATOM 0 HH21 ARG B 11 8.157 12.171 14.613 1.00 25.91 H new ATOM 0 HH22 ARG B 11 6.830 11.560 14.904 1.00 25.91 H new ATOM 1577 N GLY B 12 7.535 13.008 23.101 1.00 22.61 N ATOM 1578 CA GLY B 12 7.472 12.356 24.396 1.00 23.09 C ATOM 1579 C GLY B 12 8.103 10.989 24.356 1.00 24.49 C ATOM 1580 O GLY B 12 8.443 10.471 23.278 1.00 21.99 O ATOM 0 H GLY B 12 6.901 12.792 22.562 1.00 22.61 H new ATOM 0 HA2 GLY B 12 7.924 12.903 25.057 1.00 23.09 H new ATOM 0 HA3 GLY B 12 6.547 12.279 24.676 1.00 23.09 H new ATOM 1581 N LEU B 13 8.249 10.408 25.548 1.00 26.95 N ATOM 1582 CA LEU B 13 8.852 9.085 25.743 1.00 29.51 C ATOM 1583 C LEU B 13 8.259 7.964 24.864 1.00 29.68 C ATOM 1584 O LEU B 13 9.007 7.190 24.260 1.00 30.58 O ATOM 1585 CB LEU B 13 8.741 8.691 27.218 1.00 32.33 C ATOM 1586 CG LEU B 13 9.615 7.541 27.707 1.00 33.81 C ATOM 1587 CD1 LEU B 13 11.005 7.608 27.068 1.00 34.24 C ATOM 1588 CD2 LEU B 13 9.699 7.604 29.228 1.00 31.38 C ATOM 0 H LEU B 13 7.995 10.779 26.281 1.00 26.95 H new ATOM 0 HA LEU B 13 9.777 9.172 25.465 1.00 29.51 H new ATOM 0 HB2 LEU B 13 8.948 9.473 27.753 1.00 32.33 H new ATOM 0 HB3 LEU B 13 7.816 8.461 27.398 1.00 32.33 H new ATOM 0 HG LEU B 13 9.222 6.694 27.445 1.00 33.81 H new ATOM 0 HD11 LEU B 13 11.546 6.870 27.390 1.00 34.24 H new ATOM 0 HD12 LEU B 13 10.921 7.549 26.103 1.00 34.24 H new ATOM 0 HD13 LEU B 13 11.430 8.447 27.305 1.00 34.24 H new ATOM 0 HD21 LEU B 13 10.253 6.877 29.552 1.00 31.38 H new ATOM 0 HD22 LEU B 13 10.089 8.451 29.496 1.00 31.38 H new ATOM 0 HD23 LEU B 13 8.809 7.525 29.605 1.00 31.38 H new ATOM 1589 N LEU B 14 6.934 7.876 24.790 1.00 28.94 N ATOM 1590 CA LEU B 14 6.296 6.796 24.027 1.00 28.92 C ATOM 1591 C LEU B 14 6.512 6.959 22.520 1.00 27.20 C ATOM 1592 O LEU B 14 6.946 6.020 21.847 1.00 26.92 O ATOM 1593 CB LEU B 14 4.801 6.682 24.364 1.00 32.67 C ATOM 1594 CG LEU B 14 3.904 5.812 23.460 1.00 34.56 C ATOM 1595 CD1 LEU B 14 4.289 4.332 23.508 1.00 34.45 C ATOM 1596 CD2 LEU B 14 2.442 6.005 23.840 1.00 34.67 C ATOM 0 H LEU B 14 6.388 8.423 25.168 1.00 28.94 H new ATOM 0 HA LEU B 14 6.725 5.967 24.292 1.00 28.92 H new ATOM 0 HB2 LEU B 14 4.728 6.339 25.268 1.00 32.67 H new ATOM 0 HB3 LEU B 14 4.431 7.579 24.370 1.00 32.67 H new ATOM 0 HG LEU B 14 4.038 6.104 22.545 1.00 34.56 H new ATOM 0 HD11 LEU B 14 3.701 3.825 22.927 1.00 34.45 H new ATOM 0 HD12 LEU B 14 5.206 4.226 23.211 1.00 34.45 H new ATOM 0 HD13 LEU B 14 4.205 4.005 24.417 1.00 34.45 H new ATOM 0 HD21 LEU B 14 1.884 5.455 23.268 1.00 34.67 H new ATOM 0 HD22 LEU B 14 2.311 5.745 24.765 1.00 34.67 H new ATOM 0 HD23 LEU B 14 2.199 6.937 23.729 1.00 34.67 H new ATOM 1597 N GLY B 15 6.190 8.141 22.001 1.00 25.27 N ATOM 1598 CA GLY B 15 6.453 8.489 20.598 1.00 24.38 C ATOM 1599 C GLY B 15 7.921 8.338 20.226 1.00 24.55 C ATOM 1600 O GLY B 15 8.235 7.947 19.112 1.00 24.70 O ATOM 0 H GLY B 15 5.811 8.769 22.451 1.00 25.27 H new ATOM 0 HA2 GLY B 15 5.916 7.923 20.021 1.00 24.38 H new ATOM 0 HA3 GLY B 15 6.174 9.404 20.437 1.00 24.38 H new ATOM 1601 N CYS B 16 8.821 8.623 21.165 1.00 24.39 N ATOM 1602 CA CYS B 16 10.235 8.341 20.979 1.00 24.96 C ATOM 1603 C CYS B 16 10.482 6.837 20.735 1.00 24.50 C ATOM 1604 O CYS B 16 11.113 6.482 19.747 1.00 22.78 O ATOM 1605 CB CYS B 16 11.056 8.835 22.175 1.00 27.22 C ATOM 1606 SG CYS B 16 12.820 8.454 22.049 1.00 34.14 S ATOM 0 H CYS B 16 8.627 8.983 21.922 1.00 24.39 H new ATOM 0 HA CYS B 16 10.526 8.823 20.189 1.00 24.96 H new ATOM 0 HB2 CYS B 16 10.945 9.795 22.259 1.00 27.22 H new ATOM 0 HB3 CYS B 16 10.704 8.437 22.986 1.00 27.22 H new ATOM 0 HG CYS B 16 13.391 8.873 23.018 1.00 34.14 H new ATOM 1607 N ILE B 17 9.985 5.971 21.626 1.00 25.29 N ATOM 1608 CA ILE B 17 10.133 4.519 21.470 1.00 26.10 C ATOM 1609 C ILE B 17 9.570 4.023 20.137 1.00 24.39 C ATOM 1610 O ILE B 17 10.264 3.308 19.399 1.00 25.10 O ATOM 1611 CB ILE B 17 9.488 3.707 22.630 1.00 30.47 C ATOM 1612 CG1 ILE B 17 9.973 4.181 24.012 1.00 31.67 C ATOM 1613 CG2 ILE B 17 9.741 2.206 22.449 1.00 29.90 C ATOM 1614 CD1 ILE B 17 11.472 4.284 24.157 1.00 33.45 C ATOM 0 H ILE B 17 9.556 6.207 22.333 1.00 25.29 H new ATOM 0 HA ILE B 17 11.090 4.364 21.491 1.00 26.10 H new ATOM 0 HB ILE B 17 8.532 3.867 22.594 1.00 30.47 H new ATOM 0 HG12 ILE B 17 9.583 5.049 24.197 1.00 31.67 H new ATOM 0 HG13 ILE B 17 9.637 3.569 24.686 1.00 31.67 H new ATOM 0 HG21 ILE B 17 9.332 1.718 23.181 1.00 29.90 H new ATOM 0 HG22 ILE B 17 9.355 1.912 21.609 1.00 29.90 H new ATOM 0 HG23 ILE B 17 10.696 2.037 22.442 1.00 29.90 H new ATOM 0 HD11 ILE B 17 11.691 4.587 25.052 1.00 33.45 H new ATOM 0 HD12 ILE B 17 11.873 3.414 24.004 1.00 33.45 H new ATOM 0 HD13 ILE B 17 11.817 4.917 23.508 1.00 33.45 H new ATOM 1615 N ILE B 18 8.337 4.416 19.821 0.81 21.94 N ATOM 1616 CA ILE B 18 7.671 3.978 18.589 0.81 22.49 C ATOM 1617 C ILE B 18 8.409 4.470 17.340 0.81 22.10 C ATOM 1618 O ILE B 18 8.658 3.687 16.426 0.81 21.81 O ATOM 1619 CB ILE B 18 6.203 4.467 18.545 0.81 23.64 C ATOM 1620 CG1 ILE B 18 5.354 3.665 19.553 0.81 24.31 C ATOM 1621 CG2 ILE B 18 5.641 4.414 17.128 0.81 23.51 C ATOM 1622 CD1 ILE B 18 3.948 4.221 19.756 0.81 23.73 C ATOM 0 H ILE B 18 7.863 4.941 20.310 0.81 21.94 H new ATOM 0 HA ILE B 18 7.684 3.008 18.593 0.81 22.49 H new ATOM 0 HB ILE B 18 6.171 5.400 18.810 0.81 23.64 H new ATOM 0 HG12 ILE B 18 5.288 2.746 19.249 0.81 24.31 H new ATOM 0 HG13 ILE B 18 5.812 3.648 20.408 0.81 24.31 H new ATOM 0 HG21 ILE B 18 4.722 4.725 17.132 0.81 23.51 H new ATOM 0 HG22 ILE B 18 6.172 4.982 16.548 0.81 23.51 H new ATOM 0 HG23 ILE B 18 5.671 3.501 16.802 0.81 23.51 H new ATOM 0 HD11 ILE B 18 3.472 3.672 20.399 0.81 23.73 H new ATOM 0 HD12 ILE B 18 4.004 5.131 20.088 0.81 23.73 H new ATOM 0 HD13 ILE B 18 3.472 4.215 18.911 0.81 23.73 H new ATOM 1623 N THR B 19 8.750 5.765 17.304 1.00 21.66 N ATOM 1624 CA THR B 19 9.466 6.339 16.167 1.00 20.63 C ATOM 1625 C THR B 19 10.827 5.643 15.985 1.00 19.62 C ATOM 1626 O THR B 19 11.302 5.509 14.854 1.00 19.16 O ATOM 1627 CB THR B 19 9.699 7.857 16.310 1.00 21.26 C ATOM 1628 OG1 THR B 19 8.479 8.520 16.670 1.00 21.39 O ATOM 1629 CG2 THR B 19 10.204 8.438 14.998 1.00 21.44 C ATOM 0 H THR B 19 8.573 6.325 17.932 1.00 21.66 H new ATOM 0 HA THR B 19 8.903 6.195 15.390 1.00 20.63 H new ATOM 0 HB THR B 19 10.361 7.995 17.006 1.00 21.26 H new ATOM 0 HG1 THR B 19 8.449 8.619 17.504 1.00 21.39 H new ATOM 0 HG21 THR B 19 10.347 9.392 15.100 1.00 21.44 H new ATOM 0 HG22 THR B 19 11.040 8.011 14.755 1.00 21.44 H new ATOM 0 HG23 THR B 19 9.548 8.282 14.301 1.00 21.44 H new ATOM 1630 N SER B 20 11.425 5.201 17.086 0.58 17.77 N ATOM 1631 CA SER B 20 12.677 4.461 17.038 0.58 17.61 C ATOM 1632 C SER B 20 12.512 3.136 16.290 0.58 18.51 C ATOM 1633 O SER B 20 13.372 2.756 15.517 0.58 17.25 O ATOM 1634 CB SER B 20 13.204 4.214 18.449 0.58 16.21 C ATOM 1635 OG SER B 20 14.561 3.868 18.422 0.58 15.28 O ATOM 0 H SER B 20 11.116 5.322 17.879 0.58 17.77 H new ATOM 0 HA SER B 20 13.322 4.999 16.553 0.58 17.61 H new ATOM 0 HB2 SER B 20 13.080 5.010 18.989 0.58 16.21 H new ATOM 0 HB3 SER B 20 12.694 3.504 18.869 0.58 16.21 H new ATOM 0 HG SER B 20 14.999 4.479 18.048 0.58 15.28 H new ATOM 1636 N LEU B 21 11.385 2.457 16.509 1.00 22.25 N ATOM 1637 CA LEU B 21 11.096 1.171 15.864 1.00 24.01 C ATOM 1638 C LEU B 21 10.675 1.317 14.406 1.00 25.33 C ATOM 1639 O LEU B 21 10.956 0.446 13.595 1.00 25.15 O ATOM 1640 CB LEU B 21 10.046 0.366 16.663 1.00 26.81 C ATOM 1641 CG LEU B 21 10.322 0.064 18.152 1.00 27.15 C ATOM 1642 CD1 LEU B 21 9.151 -0.710 18.748 1.00 30.27 C ATOM 1643 CD2 LEU B 21 11.627 -0.692 18.377 1.00 30.16 C ATOM 0 H LEU B 21 10.764 2.729 17.037 1.00 22.25 H new ATOM 0 HA LEU B 21 11.930 0.675 15.864 1.00 24.01 H new ATOM 0 HB2 LEU B 21 9.205 0.846 16.611 1.00 26.81 H new ATOM 0 HB3 LEU B 21 9.917 -0.482 16.209 1.00 26.81 H new ATOM 0 HG LEU B 21 10.418 0.918 18.602 1.00 27.15 H new ATOM 0 HD11 LEU B 21 9.329 -0.897 19.683 1.00 30.27 H new ATOM 0 HD12 LEU B 21 8.341 -0.181 18.673 1.00 30.27 H new ATOM 0 HD13 LEU B 21 9.037 -1.545 18.268 1.00 30.27 H new ATOM 0 HD21 LEU B 21 11.748 -0.854 19.326 1.00 30.16 H new ATOM 0 HD22 LEU B 21 11.595 -1.540 17.906 1.00 30.16 H new ATOM 0 HD23 LEU B 21 12.369 -0.164 18.042 1.00 30.16 H new ATOM 1644 N THR B 22 10.027 2.427 14.053 1.00 25.84 N ATOM 1645 CA THR B 22 9.546 2.558 12.679 1.00 25.77 C ATOM 1646 C THR B 22 10.545 3.262 11.784 1.00 26.18 C ATOM 1647 O THR B 22 10.536 3.046 10.569 1.00 26.90 O ATOM 1648 CB THR B 22 8.196 3.269 12.592 1.00 27.09 C ATOM 1649 OG1 THR B 22 8.381 4.677 12.801 1.00 29.35 O ATOM 1650 CG2 THR B 22 7.234 2.692 13.624 1.00 27.36 C ATOM 0 H THR B 22 9.860 3.092 14.572 1.00 25.84 H new ATOM 0 HA THR B 22 9.432 1.648 12.363 1.00 25.77 H new ATOM 0 HB THR B 22 7.814 3.132 11.711 1.00 27.09 H new ATOM 0 HG1 THR B 22 7.635 5.042 12.930 1.00 29.35 H new ATOM 0 HG21 THR B 22 6.380 3.149 13.562 1.00 27.36 H new ATOM 0 HG22 THR B 22 7.107 1.745 13.455 1.00 27.36 H new ATOM 0 HG23 THR B 22 7.602 2.814 14.513 1.00 27.36 H new ATOM 1651 N GLY B 23 11.398 4.101 12.383 1.00 24.91 N ATOM 1652 CA GLY B 23 12.313 4.982 11.640 1.00 23.41 C ATOM 1653 C GLY B 23 11.607 6.097 10.888 1.00 24.52 C ATOM 1654 O GLY B 23 12.216 6.812 10.090 1.00 24.99 O ATOM 0 H GLY B 23 11.463 4.176 13.237 1.00 24.91 H new ATOM 0 HA2 GLY B 23 12.949 5.372 12.260 1.00 23.41 H new ATOM 0 HA3 GLY B 23 12.822 4.449 11.010 1.00 23.41 H new ATOM 1655 N ARG B 24 10.308 6.241 11.109 1.00 25.04 N ATOM 1656 CA ARG B 24 9.543 7.220 10.357 1.00 27.76 C ATOM 1657 C ARG B 24 9.217 8.407 11.264 1.00 26.02 C ATOM 1658 O ARG B 24 8.491 8.265 12.235 1.00 23.85 O ATOM 1659 CB ARG B 24 8.273 6.568 9.818 1.00 31.78 C ATOM 1660 CG ARG B 24 7.291 7.519 9.151 1.00 38.88 C ATOM 1661 CD ARG B 24 7.494 7.601 7.645 1.00 42.84 C ATOM 1662 NE ARG B 24 7.736 6.276 7.073 1.00 45.85 N ATOM 1663 CZ ARG B 24 7.890 6.041 5.773 1.00 45.57 C ATOM 1664 NH1 ARG B 24 7.810 7.036 4.899 1.00 42.85 N ATOM 1665 NH2 ARG B 24 8.138 4.808 5.352 1.00 43.92 N ATOM 0 H ARG B 24 9.856 5.787 11.683 1.00 25.04 H new ATOM 0 HA ARG B 24 10.060 7.544 9.602 1.00 27.76 H new ATOM 0 HB2 ARG B 24 8.524 5.884 9.178 1.00 31.78 H new ATOM 0 HB3 ARG B 24 7.821 6.120 10.550 1.00 31.78 H new ATOM 0 HG2 ARG B 24 6.385 7.227 9.337 1.00 38.88 H new ATOM 0 HG3 ARG B 24 7.389 8.404 9.537 1.00 38.88 H new ATOM 0 HD2 ARG B 24 6.711 7.997 7.231 1.00 42.84 H new ATOM 0 HD3 ARG B 24 8.244 8.183 7.448 1.00 42.84 H new ATOM 0 HE ARG B 24 7.782 5.607 7.611 1.00 45.85 H new ATOM 0 HH11 ARG B 24 7.658 7.837 5.172 1.00 42.85 H new ATOM 0 HH12 ARG B 24 7.910 6.880 4.059 1.00 42.85 H new ATOM 0 HH21 ARG B 24 8.199 4.164 5.919 1.00 43.92 H new ATOM 0 HH22 ARG B 24 8.238 4.652 4.512 1.00 43.92 H new ATOM 1666 N ASP B 25 9.761 9.575 10.948 1.00 25.81 N ATOM 1667 CA ASP B 25 9.541 10.745 11.791 1.00 27.11 C ATOM 1668 C ASP B 25 8.994 11.859 10.933 1.00 25.20 C ATOM 1669 O ASP B 25 9.729 12.459 10.142 1.00 26.96 O ATOM 1670 CB ASP B 25 10.846 11.155 12.483 1.00 27.03 C ATOM 1671 CG ASP B 25 10.722 12.455 13.286 1.00 31.94 C ATOM 1672 OD1 ASP B 25 9.634 13.098 13.328 1.00 31.36 O ATOM 1673 OD2 ASP B 25 11.749 12.847 13.903 1.00 33.86 O ATOM 0 H ASP B 25 10.256 9.712 10.258 1.00 25.81 H new ATOM 0 HA ASP B 25 8.899 10.540 12.489 1.00 27.11 H new ATOM 0 HB2 ASP B 25 11.129 10.441 13.076 1.00 27.03 H new ATOM 0 HB3 ASP B 25 11.541 11.260 11.814 1.00 27.03 H new ATOM 1674 N ARG B 26 7.714 12.154 11.100 1.00 26.31 N ATOM 1675 CA ARG B 26 7.046 13.122 10.239 1.00 27.17 C ATOM 1676 C ARG B 26 7.011 14.543 10.801 1.00 28.46 C ATOM 1677 O ARG B 26 6.425 15.433 10.179 1.00 30.23 O ATOM 1678 CB ARG B 26 5.643 12.621 9.877 1.00 30.75 C ATOM 1679 CG ARG B 26 5.669 11.367 9.003 1.00 37.81 C ATOM 1680 CD ARG B 26 4.301 10.788 8.634 1.00 42.84 C ATOM 1681 NE ARG B 26 3.562 10.273 9.788 1.00 43.50 N ATOM 1682 CZ ARG B 26 3.521 8.992 10.149 1.00 50.14 C ATOM 1683 NH1 ARG B 26 4.171 8.067 9.451 1.00 51.63 N ATOM 1684 NH2 ARG B 26 2.826 8.634 11.221 1.00 52.27 N ATOM 0 H ARG B 26 7.212 11.806 11.706 1.00 26.31 H new ATOM 0 HA ARG B 26 7.581 13.190 9.433 1.00 27.17 H new ATOM 0 HB2 ARG B 26 5.151 12.432 10.692 1.00 30.75 H new ATOM 0 HB3 ARG B 26 5.163 13.324 9.412 1.00 30.75 H new ATOM 0 HG2 ARG B 26 6.146 11.573 8.184 1.00 37.81 H new ATOM 0 HG3 ARG B 26 6.178 10.682 9.464 1.00 37.81 H new ATOM 0 HD2 ARG B 26 3.772 11.475 8.199 1.00 42.84 H new ATOM 0 HD3 ARG B 26 4.422 10.073 7.990 1.00 42.84 H new ATOM 0 HE ARG B 26 3.124 10.837 10.266 1.00 43.50 H new ATOM 0 HH11 ARG B 26 4.625 8.293 8.757 1.00 51.63 H new ATOM 0 HH12 ARG B 26 4.137 7.243 9.694 1.00 51.63 H new ATOM 0 HH21 ARG B 26 2.405 9.228 11.679 1.00 52.27 H new ATOM 0 HH22 ARG B 26 2.796 7.808 11.458 1.00 52.27 H new ATOM 1685 N ASN B 27 7.641 14.767 11.954 1.00 26.73 N ATOM 1686 CA ASN B 27 7.645 16.099 12.583 1.00 29.68 C ATOM 1687 C ASN B 27 8.489 17.086 11.818 1.00 29.91 C ATOM 1688 O ASN B 27 9.480 16.718 11.212 1.00 29.01 O ATOM 1689 CB ASN B 27 8.209 16.055 14.011 1.00 29.37 C ATOM 1690 CG ASN B 27 7.228 15.494 15.017 1.00 31.50 C ATOM 1691 OD1 ASN B 27 6.059 15.273 14.704 1.00 31.00 O ATOM 1692 ND2 ASN B 27 7.706 15.254 16.239 1.00 30.16 N ATOM 0 H ASN B 27 8.073 14.165 12.391 1.00 26.73 H new ATOM 0 HA ASN B 27 6.716 16.378 12.588 1.00 29.68 H new ATOM 0 HB2 ASN B 27 9.016 15.516 14.018 1.00 29.37 H new ATOM 0 HB3 ASN B 27 8.464 16.951 14.280 1.00 29.37 H new ATOM 0 HD21 ASN B 27 7.190 14.931 16.847 1.00 30.16 H new ATOM 0 HD22 ASN B 27 8.530 15.422 16.419 1.00 30.16 H new ATOM 1693 N GLN B 28 8.108 18.351 11.906 1.00 31.57 N ATOM 1694 CA GLN B 28 8.896 19.445 11.384 1.00 33.27 C ATOM 1695 C GLN B 28 10.186 19.609 12.213 1.00 30.87 C ATOM 1696 O GLN B 28 10.170 19.486 13.430 1.00 32.68 O ATOM 1697 CB GLN B 28 8.040 20.699 11.433 1.00 37.41 C ATOM 1698 CG GLN B 28 8.728 21.978 10.984 1.00 44.38 C ATOM 1699 CD GLN B 28 8.018 23.221 11.507 1.00 48.94 C ATOM 1700 OE1 GLN B 28 6.893 23.154 12.030 1.00 51.43 O ATOM 1701 NE2 GLN B 28 8.676 24.365 11.375 1.00 52.32 N ATOM 0 H GLN B 28 7.373 18.598 12.277 1.00 31.57 H new ATOM 0 HA GLN B 28 9.164 19.273 10.468 1.00 33.27 H new ATOM 0 HB2 GLN B 28 7.257 20.559 10.878 1.00 37.41 H new ATOM 0 HB3 GLN B 28 7.725 20.822 12.342 1.00 37.41 H new ATOM 0 HG2 GLN B 28 9.647 21.976 11.295 1.00 44.38 H new ATOM 0 HG3 GLN B 28 8.756 22.006 10.015 1.00 44.38 H new ATOM 0 HE21 GLN B 28 9.454 24.374 11.008 1.00 52.32 H new ATOM 0 HE22 GLN B 28 8.325 25.098 11.657 1.00 52.32 H new ATOM 1702 N VAL B 29 11.304 19.836 11.540 1.00 31.06 N ATOM 1703 CA VAL B 29 12.587 20.036 12.213 1.00 29.90 C ATOM 1704 C VAL B 29 12.911 21.516 12.160 1.00 31.52 C ATOM 1705 O VAL B 29 12.562 22.190 11.190 1.00 33.75 O ATOM 1706 CB VAL B 29 13.704 19.188 11.560 1.00 28.95 C ATOM 1707 CG1 VAL B 29 15.076 19.504 12.134 1.00 29.70 C ATOM 1708 CG2 VAL B 29 13.401 17.699 11.728 1.00 27.85 C ATOM 0 H VAL B 29 11.345 19.879 10.682 1.00 31.06 H new ATOM 0 HA VAL B 29 12.528 19.743 13.136 1.00 29.90 H new ATOM 0 HB VAL B 29 13.723 19.414 10.617 1.00 28.95 H new ATOM 0 HG11 VAL B 29 15.744 18.952 11.698 1.00 29.70 H new ATOM 0 HG12 VAL B 29 15.282 20.440 11.984 1.00 29.70 H new ATOM 0 HG13 VAL B 29 15.078 19.322 13.087 1.00 29.70 H new ATOM 0 HG21 VAL B 29 14.107 17.176 11.316 1.00 27.85 H new ATOM 0 HG22 VAL B 29 13.350 17.484 12.672 1.00 27.85 H new ATOM 0 HG23 VAL B 29 12.554 17.491 11.303 1.00 27.85 H new ATOM 1709 N GLU B 30 13.545 22.017 13.217 1.00 31.30 N ATOM 1710 CA GLU B 30 13.950 23.409 13.320 1.00 32.11 C ATOM 1711 C GLU B 30 15.211 23.506 14.160 1.00 30.06 C ATOM 1712 O GLU B 30 15.498 22.621 14.953 1.00 27.81 O ATOM 1713 CB GLU B 30 12.865 24.228 14.011 1.00 36.30 C ATOM 1714 CG GLU B 30 11.654 24.572 13.169 1.00 41.49 C ATOM 1715 CD GLU B 30 10.963 25.827 13.666 1.00 48.79 C ATOM 1716 OE1 GLU B 30 11.662 26.743 14.179 1.00 52.75 O ATOM 1717 OE2 GLU B 30 9.717 25.900 13.543 1.00 54.65 O ATOM 0 H GLU B 30 13.754 21.546 13.905 1.00 31.30 H new ATOM 0 HA GLU B 30 14.103 23.750 12.425 1.00 32.11 H new ATOM 0 HB2 GLU B 30 12.565 23.739 14.793 1.00 36.30 H new ATOM 0 HB3 GLU B 30 13.261 25.055 14.328 1.00 36.30 H new ATOM 0 HG2 GLU B 30 11.926 24.696 12.246 1.00 41.49 H new ATOM 0 HG3 GLU B 30 11.029 23.831 13.183 1.00 41.49 H new ATOM 1718 N GLY B 31 15.955 24.595 13.992 1.00 29.83 N ATOM 1719 CA GLY B 31 17.099 24.892 14.834 1.00 29.22 C ATOM 1720 C GLY B 31 18.395 24.250 14.385 1.00 30.37 C ATOM 1721 O GLY B 31 18.435 23.457 13.443 1.00 32.56 O ATOM 0 H GLY B 31 15.806 25.183 13.382 1.00 29.83 H new ATOM 0 HA2 GLY B 31 17.222 25.854 14.865 1.00 29.22 H new ATOM 0 HA3 GLY B 31 16.904 24.601 15.739 1.00 29.22 H new ATOM 1722 N GLU B 32 19.461 24.575 15.095 1.00 29.97 N ATOM 1723 CA GLU B 32 20.800 24.198 14.684 1.00 30.53 C ATOM 1724 C GLU B 32 21.250 22.952 15.413 1.00 28.20 C ATOM 1725 O GLU B 32 22.136 22.258 14.933 1.00 27.75 O ATOM 1726 CB GLU B 32 21.783 25.347 14.973 1.00 34.02 C ATOM 1727 CG GLU B 32 21.482 26.683 14.274 1.00 36.91 C ATOM 1728 CD GLU B 32 20.434 27.565 14.964 1.00 40.55 C ATOM 1729 OE1 GLU B 32 19.616 27.084 15.786 1.00 37.13 O ATOM 1730 OE2 GLU B 32 20.413 28.780 14.663 1.00 47.50 O ATOM 0 H GLU B 32 19.429 25.021 15.830 1.00 29.97 H new ATOM 0 HA GLU B 32 20.787 24.016 13.731 1.00 30.53 H new ATOM 0 HB2 GLU B 32 21.801 25.500 15.931 1.00 34.02 H new ATOM 0 HB3 GLU B 32 22.673 25.060 14.715 1.00 34.02 H new ATOM 0 HG2 GLU B 32 22.308 27.186 14.201 1.00 36.91 H new ATOM 0 HG3 GLU B 32 21.182 26.497 13.370 1.00 36.91 H new ATOM 1731 N VAL B 33 20.641 22.688 16.577 1.00 24.19 N ATOM 1732 CA VAL B 33 21.043 21.606 17.474 1.00 22.53 C ATOM 1733 C VAL B 33 19.804 20.776 17.791 1.00 21.67 C ATOM 1734 O VAL B 33 18.776 21.316 18.216 1.00 23.04 O ATOM 1735 CB VAL B 33 21.689 22.149 18.777 1.00 23.34 C ATOM 1736 CG1 VAL B 33 21.940 21.034 19.795 1.00 23.38 C ATOM 1737 CG2 VAL B 33 23.003 22.849 18.466 1.00 23.31 C ATOM 0 H VAL B 33 19.972 23.143 16.868 1.00 24.19 H new ATOM 0 HA VAL B 33 21.716 21.059 17.039 1.00 22.53 H new ATOM 0 HB VAL B 33 21.063 22.781 19.164 1.00 23.34 H new ATOM 0 HG11 VAL B 33 22.343 21.409 20.594 1.00 23.38 H new ATOM 0 HG12 VAL B 33 21.098 20.611 20.026 1.00 23.38 H new ATOM 0 HG13 VAL B 33 22.538 20.374 19.411 1.00 23.38 H new ATOM 0 HG21 VAL B 33 23.395 23.183 19.288 1.00 23.31 H new ATOM 0 HG22 VAL B 33 23.614 22.221 18.049 1.00 23.31 H new ATOM 0 HG23 VAL B 33 22.840 23.590 17.862 1.00 23.31 H new ATOM 1738 N GLN B 34 19.891 19.476 17.546 1.00 20.64 N ATOM 1739 CA GLN B 34 18.768 18.558 17.799 1.00 19.98 C ATOM 1740 C GLN B 34 19.024 17.821 19.083 1.00 18.69 C ATOM 1741 O GLN B 34 20.174 17.400 19.361 1.00 19.11 O ATOM 1742 CB GLN B 34 18.560 17.564 16.628 1.00 20.23 C ATOM 1743 CG GLN B 34 18.422 18.241 15.261 1.00 19.98 C ATOM 1744 CD GLN B 34 17.349 19.324 15.276 1.00 20.98 C ATOM 1745 OE1 GLN B 34 16.252 19.088 15.768 1.00 21.23 O ATOM 1746 NE2 GLN B 34 17.666 20.522 14.748 1.00 20.44 N ATOM 0 H GLN B 34 20.594 19.095 17.230 1.00 20.64 H new ATOM 0 HA GLN B 34 17.952 19.077 17.873 1.00 19.98 H new ATOM 0 HB2 GLN B 34 19.309 16.948 16.601 1.00 20.23 H new ATOM 0 HB3 GLN B 34 17.765 17.036 16.800 1.00 20.23 H new ATOM 0 HG2 GLN B 34 19.273 18.631 15.005 1.00 19.98 H new ATOM 0 HG3 GLN B 34 18.202 17.576 14.590 1.00 19.98 H new ATOM 0 HE21 GLN B 34 18.447 20.650 14.411 1.00 20.44 H new ATOM 0 HE22 GLN B 34 17.088 21.158 14.748 1.00 20.44 H new ATOM 1747 N VAL B 35 17.971 17.666 19.886 1.00 17.57 N ATOM 1748 CA VAL B 35 18.045 16.747 21.017 1.00 16.45 C ATOM 1749 C VAL B 35 17.635 15.384 20.500 1.00 16.88 C ATOM 1750 O VAL B 35 16.557 15.239 19.905 1.00 18.34 O ATOM 1751 CB VAL B 35 17.164 17.185 22.196 1.00 16.55 C ATOM 1752 CG1 VAL B 35 17.306 16.214 23.364 1.00 15.79 C ATOM 1753 CG2 VAL B 35 17.578 18.580 22.642 1.00 16.00 C ATOM 0 H VAL B 35 17.220 18.075 19.795 1.00 17.57 H new ATOM 0 HA VAL B 35 18.949 16.732 21.369 1.00 16.45 H new ATOM 0 HB VAL B 35 16.237 17.190 21.909 1.00 16.55 H new ATOM 0 HG11 VAL B 35 16.743 16.506 24.098 1.00 15.79 H new ATOM 0 HG12 VAL B 35 17.034 15.327 23.082 1.00 15.79 H new ATOM 0 HG13 VAL B 35 18.231 16.191 23.655 1.00 15.79 H new ATOM 0 HG21 VAL B 35 17.023 18.860 23.387 1.00 16.00 H new ATOM 0 HG22 VAL B 35 18.508 18.569 22.918 1.00 16.00 H new ATOM 0 HG23 VAL B 35 17.467 19.202 21.906 1.00 16.00 H new ATOM 1754 N VAL B 36 18.484 14.380 20.706 1.00 16.76 N ATOM 1755 CA VAL B 36 18.223 13.078 20.105 1.00 17.24 C ATOM 1756 C VAL B 36 18.245 11.969 21.115 1.00 18.54 C ATOM 1757 O VAL B 36 18.895 12.061 22.163 1.00 18.82 O ATOM 1758 CB VAL B 36 19.194 12.738 18.944 1.00 16.52 C ATOM 1759 CG1 VAL B 36 19.024 13.721 17.786 1.00 15.39 C ATOM 1760 CG2 VAL B 36 20.631 12.706 19.428 1.00 16.64 C ATOM 0 H VAL B 36 19.200 14.430 21.179 1.00 16.76 H new ATOM 0 HA VAL B 36 17.328 13.149 19.737 1.00 17.24 H new ATOM 0 HB VAL B 36 18.972 11.852 18.618 1.00 16.52 H new ATOM 0 HG11 VAL B 36 19.639 13.490 17.073 1.00 15.39 H new ATOM 0 HG12 VAL B 36 18.114 13.676 17.454 1.00 15.39 H new ATOM 0 HG13 VAL B 36 19.211 14.621 18.095 1.00 15.39 H new ATOM 0 HG21 VAL B 36 21.218 12.492 18.686 1.00 16.64 H new ATOM 0 HG22 VAL B 36 20.870 13.574 19.789 1.00 16.64 H new ATOM 0 HG23 VAL B 36 20.725 12.032 20.119 1.00 16.64 H new ATOM 1761 N SER B 37 17.535 10.904 20.798 1.00 19.11 N ATOM 1762 CA SER B 37 17.473 9.785 21.722 1.00 21.20 C ATOM 1763 C SER B 37 17.320 8.473 20.958 1.00 21.62 C ATOM 1764 O SER B 37 16.698 8.435 19.887 1.00 18.75 O ATOM 1765 CB SER B 37 16.253 9.963 22.619 1.00 20.81 C ATOM 1766 OG SER B 37 16.279 9.042 23.696 1.00 24.12 O ATOM 0 H SER B 37 17.089 10.806 20.069 1.00 19.11 H new ATOM 0 HA SER B 37 18.290 9.759 22.244 1.00 21.20 H new ATOM 0 HB2 SER B 37 16.230 10.869 22.964 1.00 20.81 H new ATOM 0 HB3 SER B 37 15.444 9.836 22.100 1.00 20.81 H new ATOM 0 HG SER B 37 16.184 8.262 23.400 1.00 24.12 H new ATOM 1767 N THR B 38 17.897 7.419 21.519 1.00 24.53 N ATOM 1768 CA THR B 38 17.543 6.046 21.186 1.00 27.88 C ATOM 1769 C THR B 38 16.559 5.591 22.277 1.00 30.56 C ATOM 1770 O THR B 38 16.079 6.422 23.027 1.00 29.92 O ATOM 1771 CB THR B 38 18.787 5.159 21.154 1.00 27.48 C ATOM 1772 OG1 THR B 38 19.309 5.033 22.476 1.00 27.27 O ATOM 1773 CG2 THR B 38 19.840 5.779 20.263 1.00 27.28 C ATOM 0 H THR B 38 18.515 7.482 22.113 1.00 24.53 H new ATOM 0 HA THR B 38 17.142 5.982 20.305 1.00 27.88 H new ATOM 0 HB THR B 38 18.547 4.286 20.807 1.00 27.48 H new ATOM 0 HG1 THR B 38 19.910 4.446 22.485 1.00 27.27 H new ATOM 0 HG21 THR B 38 20.626 5.211 20.247 1.00 27.28 H new ATOM 0 HG22 THR B 38 19.490 5.870 19.363 1.00 27.28 H new ATOM 0 HG23 THR B 38 20.080 6.654 20.606 1.00 27.28 H new ATOM 1774 N ALA B 39 16.253 4.298 22.377 1.00 33.89 N ATOM 1775 CA ALA B 39 15.442 3.790 23.510 1.00 35.36 C ATOM 1776 C ALA B 39 16.233 3.696 24.816 1.00 35.79 C ATOM 1777 O ALA B 39 15.651 3.531 25.880 1.00 35.42 O ATOM 1778 CB ALA B 39 14.819 2.435 23.176 1.00 37.63 C ATOM 0 H ALA B 39 16.497 3.697 21.812 1.00 33.89 H new ATOM 0 HA ALA B 39 14.736 4.441 23.648 1.00 35.36 H new ATOM 0 HB1 ALA B 39 14.295 2.125 23.931 1.00 37.63 H new ATOM 0 HB2 ALA B 39 14.245 2.525 22.399 1.00 37.63 H new ATOM 0 HB3 ALA B 39 15.521 1.794 22.985 1.00 37.63 H new ATOM 1779 N THR B 40 17.557 3.800 24.761 1.00 35.59 N ATOM 1780 CA THR B 40 18.308 3.682 26.001 1.00 36.10 C ATOM 1781 C THR B 40 19.068 4.945 26.401 1.00 34.72 C ATOM 1782 O THR B 40 19.433 5.087 27.563 1.00 35.60 O ATOM 1783 CB THR B 40 19.295 2.501 25.974 1.00 40.04 C ATOM 1784 OG1 THR B 40 20.243 2.717 24.931 1.00 43.57 O ATOM 1785 CG2 THR B 40 18.563 1.173 25.736 1.00 40.32 C ATOM 0 H THR B 40 18.021 3.933 24.049 1.00 35.59 H new ATOM 0 HA THR B 40 17.623 3.527 26.670 1.00 36.10 H new ATOM 0 HB THR B 40 19.743 2.448 26.833 1.00 40.04 H new ATOM 0 HG1 THR B 40 19.856 2.670 24.187 1.00 43.57 H new ATOM 0 HG21 THR B 40 19.206 0.447 25.723 1.00 40.32 H new ATOM 0 HG22 THR B 40 17.922 1.024 26.449 1.00 40.32 H new ATOM 0 HG23 THR B 40 18.098 1.207 24.885 1.00 40.32 H new ATOM 1786 N GLN B 41 19.309 5.865 25.467 1.00 29.30 N ATOM 1787 CA GLN B 41 20.113 7.047 25.798 1.00 29.52 C ATOM 1788 C GLN B 41 19.789 8.283 24.968 1.00 27.09 C ATOM 1789 O GLN B 41 19.336 8.176 23.831 1.00 28.37 O ATOM 1790 CB GLN B 41 21.624 6.721 25.744 1.00 30.40 C ATOM 1791 CG GLN B 41 22.143 6.369 24.357 1.00 32.93 C ATOM 1792 CD GLN B 41 23.261 5.339 24.380 1.00 33.08 C ATOM 1793 OE1 GLN B 41 23.392 4.567 25.328 1.00 35.76 O ATOM 1794 NE2 GLN B 41 24.068 5.322 23.329 1.00 28.75 N ATOM 0 H GLN B 41 19.026 5.829 24.656 1.00 29.30 H new ATOM 0 HA GLN B 41 19.869 7.279 26.708 1.00 29.52 H new ATOM 0 HB2 GLN B 41 22.120 7.484 26.079 1.00 30.40 H new ATOM 0 HB3 GLN B 41 21.805 5.980 26.343 1.00 30.40 H new ATOM 0 HG2 GLN B 41 21.410 6.030 23.820 1.00 32.93 H new ATOM 0 HG3 GLN B 41 22.463 7.176 23.923 1.00 32.93 H new ATOM 0 HE21 GLN B 41 23.946 5.878 22.684 1.00 28.75 H new ATOM 0 HE22 GLN B 41 24.714 4.755 23.292 1.00 28.75 H new ATOM 1795 N SER B 42 20.051 9.456 25.536 1.00 23.07 N ATOM 1796 CA SER B 42 19.901 10.709 24.805 1.00 19.49 C ATOM 1797 C SER B 42 21.134 11.612 24.917 1.00 18.95 C ATOM 1798 O SER B 42 21.927 11.494 25.860 1.00 17.15 O ATOM 1799 CB SER B 42 18.686 11.466 25.319 1.00 19.42 C ATOM 1800 OG SER B 42 18.891 11.796 26.668 1.00 17.72 O ATOM 0 H SER B 42 20.318 9.548 26.348 1.00 23.07 H new ATOM 0 HA SER B 42 19.790 10.476 23.870 1.00 19.49 H new ATOM 0 HB2 SER B 42 18.546 12.270 24.795 1.00 19.42 H new ATOM 0 HB3 SER B 42 17.888 10.923 25.224 1.00 19.42 H new ATOM 0 HG SER B 42 18.475 11.253 27.156 1.00 17.72 H new ATOM 1801 N PHE B 43 21.240 12.522 23.946 1.00 18.14 N ATOM 1802 CA PHE B 43 22.434 13.285 23.650 1.00 18.44 C ATOM 1803 C PHE B 43 22.057 14.337 22.595 1.00 18.43 C ATOM 1804 O PHE B 43 20.856 14.536 22.301 1.00 19.01 O ATOM 1805 CB PHE B 43 23.645 12.369 23.256 1.00 18.93 C ATOM 1806 CG PHE B 43 23.354 11.349 22.155 1.00 19.52 C ATOM 1807 CD1 PHE B 43 22.749 10.121 22.450 1.00 20.20 C ATOM 1808 CD2 PHE B 43 23.687 11.614 20.835 1.00 19.73 C ATOM 1809 CE1 PHE B 43 22.452 9.202 21.452 1.00 19.60 C ATOM 1810 CE2 PHE B 43 23.415 10.685 19.833 1.00 21.29 C ATOM 1811 CZ PHE B 43 22.785 9.481 20.139 1.00 19.95 C ATOM 0 H PHE B 43 20.584 12.713 23.424 1.00 18.14 H new ATOM 0 HA PHE B 43 22.756 13.745 24.441 1.00 18.44 H new ATOM 0 HB2 PHE B 43 24.380 12.933 22.969 1.00 18.93 H new ATOM 0 HB3 PHE B 43 23.944 11.894 24.047 1.00 18.93 H new ATOM 0 HD1 PHE B 43 22.542 9.916 23.333 1.00 20.20 H new ATOM 0 HD2 PHE B 43 24.096 12.420 20.616 1.00 19.73 H new ATOM 0 HE1 PHE B 43 22.030 8.401 21.666 1.00 19.60 H new ATOM 0 HE2 PHE B 43 23.656 10.870 18.954 1.00 21.29 H new ATOM 0 HZ PHE B 43 22.590 8.870 19.466 1.00 19.95 H new ATOM 1812 N LEU B 44 23.052 15.027 22.048 1.00 17.58 N ATOM 1813 CA LEU B 44 22.816 16.117 21.100 1.00 18.26 C ATOM 1814 C LEU B 44 23.406 15.828 19.737 1.00 18.53 C ATOM 1815 O LEU B 44 24.317 15.039 19.613 1.00 19.15 O ATOM 1816 CB LEU B 44 23.385 17.463 21.625 1.00 17.11 C ATOM 1817 CG LEU B 44 22.824 18.040 22.949 1.00 18.22 C ATOM 1818 CD1 LEU B 44 23.398 19.425 23.255 1.00 16.81 C ATOM 1819 CD2 LEU B 44 21.295 18.120 22.958 1.00 16.60 C ATOM 0 H LEU B 44 23.883 14.879 22.214 1.00 17.58 H new ATOM 0 HA LEU B 44 21.853 16.189 21.011 1.00 18.26 H new ATOM 0 HB2 LEU B 44 24.343 17.356 21.733 1.00 17.11 H new ATOM 0 HB3 LEU B 44 23.251 18.129 20.933 1.00 17.11 H new ATOM 0 HG LEU B 44 23.102 17.418 23.639 1.00 18.22 H new ATOM 0 HD11 LEU B 44 23.025 19.753 24.088 1.00 16.81 H new ATOM 0 HD12 LEU B 44 24.363 19.365 23.334 1.00 16.81 H new ATOM 0 HD13 LEU B 44 23.170 20.036 22.537 1.00 16.81 H new ATOM 0 HD21 LEU B 44 20.995 18.486 23.805 1.00 16.60 H new ATOM 0 HD22 LEU B 44 20.996 18.693 22.235 1.00 16.60 H new ATOM 0 HD23 LEU B 44 20.924 17.232 22.841 1.00 16.60 H new ATOM 1820 N ALA B 45 22.882 16.507 18.725 1.00 19.01 N ATOM 1821 CA ALA B 45 23.409 16.448 17.384 1.00 20.27 C ATOM 1822 C ALA B 45 23.478 17.889 16.880 1.00 20.58 C ATOM 1823 O ALA B 45 22.589 18.695 17.156 1.00 21.82 O ATOM 1824 CB ALA B 45 22.504 15.590 16.489 1.00 18.75 C ATOM 0 H ALA B 45 22.198 17.022 18.806 1.00 19.01 H new ATOM 0 HA ALA B 45 24.288 16.038 17.368 1.00 20.27 H new ATOM 0 HB1 ALA B 45 22.871 15.560 15.592 1.00 18.75 H new ATOM 0 HB2 ALA B 45 22.453 14.690 16.848 1.00 18.75 H new ATOM 0 HB3 ALA B 45 21.615 15.977 16.461 1.00 18.75 H new ATOM 1825 N THR B 46 24.534 18.206 16.155 1.00 21.86 N ATOM 1826 CA THR B 46 24.784 19.553 15.677 1.00 24.36 C ATOM 1827 C THR B 46 24.832 19.564 14.148 1.00 26.06 C ATOM 1828 O THR B 46 25.584 18.786 13.524 1.00 27.21 O ATOM 1829 CB THR B 46 26.103 20.125 16.265 1.00 24.69 C ATOM 1830 OG1 THR B 46 26.060 20.083 17.698 1.00 24.69 O ATOM 1831 CG2 THR B 46 26.332 21.551 15.841 1.00 24.99 C ATOM 0 H THR B 46 25.136 17.637 15.922 1.00 21.86 H new ATOM 0 HA THR B 46 24.057 20.121 15.976 1.00 24.36 H new ATOM 0 HB THR B 46 26.828 19.577 15.927 1.00 24.69 H new ATOM 0 HG1 THR B 46 26.231 19.304 17.961 1.00 24.69 H new ATOM 0 HG21 THR B 46 27.162 21.874 16.226 1.00 24.99 H new ATOM 0 HG22 THR B 46 26.385 21.597 14.874 1.00 24.99 H new ATOM 0 HG23 THR B 46 25.597 22.103 16.150 1.00 24.99 H new ATOM 1832 N ACYS B 47 24.031 20.440 13.548 0.50 26.08 N ATOM 1833 CA ACYS B 47 24.036 20.635 12.102 0.50 28.10 C ATOM 1834 C ACYS B 47 25.091 21.643 11.634 0.50 28.75 C ATOM 1835 O ACYS B 47 25.027 22.829 11.979 0.50 28.33 O ATOM 1836 CB ACYS B 47 22.652 21.057 11.630 0.50 28.88 C ATOM 1837 SG ACYS B 47 21.444 19.721 11.761 0.50 31.38 S ATOM 1838 N BCYS B 47 24.026 20.445 13.567 0.50 26.37 N ATOM 1839 CA BCYS B 47 24.039 20.697 12.141 0.50 28.59 C ATOM 1840 C BCYS B 47 25.187 21.632 11.745 0.50 29.01 C ATOM 1841 O BCYS B 47 25.284 22.760 12.249 0.50 28.23 O ATOM 1842 CB BCYS B 47 22.720 21.323 11.723 0.50 29.62 C ATOM 1843 SG BCYS B 47 22.304 20.970 10.009 0.50 34.50 S ATOM 0 H ACYS B 47 23.469 20.938 13.968 0.50 26.37 H new ATOM 0 H BCYS B 47 23.451 20.917 13.999 0.50 26.37 H new ATOM 0 HA ACYS B 47 24.274 19.784 11.703 0.50 28.59 H new ATOM 0 HA BCYS B 47 24.168 19.848 11.690 0.50 28.59 H new ATOM 0 HB2ACYS B 47 22.351 21.815 12.155 0.50 29.62 H new ATOM 0 HB2BCYS B 47 22.012 20.994 12.299 0.50 29.62 H new ATOM 0 HB3ACYS B 47 22.704 21.354 10.708 0.50 29.62 H new ATOM 0 HB3BCYS B 47 22.766 22.283 11.850 0.50 29.62 H new ATOM 0 HG ACYS B 47 20.726 19.735 10.800 0.50 34.50 H new ATOM 0 HG BCYS B 47 21.256 21.487 9.737 0.50 34.50 H new ATOM 1844 N VAL B 48 26.054 21.149 10.855 1.00 28.21 N ATOM 1845 CA VAL B 48 27.184 21.953 10.313 1.00 29.56 C ATOM 1846 C VAL B 48 27.283 21.632 8.809 1.00 31.73 C ATOM 1847 O VAL B 48 27.440 20.475 8.435 1.00 29.86 O ATOM 1848 CB VAL B 48 28.540 21.588 10.968 1.00 29.89 C ATOM 1849 CG1 VAL B 48 29.676 22.443 10.400 1.00 31.33 C ATOM 1850 CG2 VAL B 48 28.497 21.709 12.487 1.00 29.59 C ATOM 0 H AVAL B 48 26.080 20.323 10.616 0.50 28.21 H new ATOM 0 H BVAL B 48 26.014 20.349 10.542 0.50 28.21 H new ATOM 0 HA VAL B 48 27.012 22.890 10.493 1.00 29.56 H new ATOM 0 HB VAL B 48 28.712 20.658 10.752 1.00 29.89 H new ATOM 0 HG11 VAL B 48 30.512 22.195 10.826 1.00 31.33 H new ATOM 0 HG12 VAL B 48 29.745 22.296 9.444 1.00 31.33 H new ATOM 0 HG13 VAL B 48 29.492 23.380 10.570 1.00 31.33 H new ATOM 0 HG21 VAL B 48 29.363 21.472 12.855 1.00 29.59 H new ATOM 0 HG22 VAL B 48 28.280 22.622 12.733 1.00 29.59 H new ATOM 0 HG23 VAL B 48 27.821 21.110 12.841 1.00 29.59 H new ATOM 1851 N ASN B 49 27.144 22.645 7.957 1.00 34.46 N ATOM 1852 CA ASN B 49 27.187 22.464 6.490 1.00 37.27 C ATOM 1853 C ASN B 49 26.303 21.338 5.939 1.00 37.49 C ATOM 1854 O ASN B 49 26.782 20.494 5.170 1.00 38.75 O ATOM 1855 CB ASN B 49 28.631 22.246 6.006 1.00 40.01 C ATOM 1856 CG ASN B 49 29.433 23.530 5.948 1.00 44.73 C ATOM 1857 OD1 ASN B 49 28.883 24.630 5.839 1.00 47.79 O ATOM 1858 ND2 ASN B 49 30.748 23.394 6.016 1.00 48.05 N ATOM 0 H ASN B 49 27.022 23.459 8.205 1.00 34.46 H new ATOM 0 HA ASN B 49 26.821 23.291 6.140 1.00 37.27 H new ATOM 0 HB2 ASN B 49 29.075 21.619 6.599 1.00 40.01 H new ATOM 0 HB3 ASN B 49 28.614 21.840 5.125 1.00 40.01 H new ATOM 0 HD21 ASN B 49 31.254 24.088 5.985 1.00 48.05 H new ATOM 0 HD22 ASN B 49 31.096 22.611 6.092 1.00 48.05 H new ATOM 1859 N GLY B 50 25.031 21.313 6.337 1.00 34.53 N ATOM 1860 CA GLY B 50 24.076 20.338 5.811 1.00 29.54 C ATOM 1861 C GLY B 50 24.273 18.915 6.290 1.00 27.55 C ATOM 1862 O GLY B 50 23.577 17.992 5.826 1.00 27.32 O ATOM 0 H GLY B 50 24.700 21.857 6.915 1.00 34.53 H new ATOM 0 HA2 GLY B 50 23.180 20.623 6.051 1.00 29.54 H new ATOM 0 HA3 GLY B 50 24.127 20.347 4.842 1.00 29.54 H new ATOM 1863 N VAL B 51 25.224 18.727 7.204 0.81 24.64 N ATOM 1864 CA VAL B 51 25.378 17.449 7.867 0.81 22.86 C ATOM 1865 C VAL B 51 25.035 17.527 9.357 0.81 22.65 C ATOM 1866 O VAL B 51 25.545 18.373 10.080 0.81 23.37 O ATOM 1867 CB VAL B 51 26.780 16.861 7.674 0.81 22.27 C ATOM 1868 CG1 VAL B 51 26.840 15.481 8.304 0.81 21.30 C ATOM 1869 CG2 VAL B 51 27.109 16.761 6.186 0.81 22.19 C ATOM 0 H VAL B 51 25.786 19.330 7.450 0.81 24.64 H new ATOM 0 HA VAL B 51 24.742 16.851 7.444 0.81 22.86 H new ATOM 0 HB VAL B 51 27.429 17.442 8.100 0.81 22.27 H new ATOM 0 HG11 VAL B 51 27.727 15.108 8.182 0.81 21.30 H new ATOM 0 HG12 VAL B 51 26.645 15.549 9.252 0.81 21.30 H new ATOM 0 HG13 VAL B 51 26.186 14.903 7.881 0.81 21.30 H new ATOM 0 HG21 VAL B 51 27.998 16.388 6.075 0.81 22.19 H new ATOM 0 HG22 VAL B 51 26.461 16.187 5.749 0.81 22.19 H new ATOM 0 HG23 VAL B 51 27.078 17.645 5.787 0.81 22.19 H new ATOM 1870 N ACYS B 52 24.169 16.636 9.807 0.70 22.57 N ATOM 1871 CA ACYS B 52 23.829 16.573 11.207 0.70 22.22 C ATOM 1872 C ACYS B 52 24.793 15.606 11.902 0.70 22.31 C ATOM 1873 O ACYS B 52 24.745 14.390 11.667 0.70 21.15 O ATOM 1874 CB ACYS B 52 22.370 16.164 11.341 0.70 22.83 C ATOM 1875 SG ACYS B 52 21.865 15.816 13.028 0.70 25.49 S ATOM 1876 N BCYS B 52 24.155 16.632 9.802 0.20 22.46 N ATOM 1877 CA BCYS B 52 23.828 16.502 11.219 0.20 22.08 C ATOM 1878 C BCYS B 52 24.813 15.577 11.913 0.20 22.14 C ATOM 1879 O BCYS B 52 24.779 14.360 11.722 0.20 21.84 O ATOM 1880 CB BCYS B 52 22.406 15.988 11.400 0.20 22.03 C ATOM 1881 SG BCYS B 52 21.172 17.299 11.419 0.20 21.94 S ATOM 0 H ACYS B 52 23.767 16.058 9.313 0.70 22.46 H new ATOM 0 H BCYS B 52 23.732 16.084 9.291 0.20 22.46 H new ATOM 0 HA ACYS B 52 23.924 17.436 11.639 0.70 22.08 H new ATOM 0 HA BCYS B 52 23.891 17.381 11.624 0.20 22.08 H new ATOM 0 HB2ACYS B 52 21.811 16.872 10.985 0.70 22.03 H new ATOM 0 HB2BCYS B 52 22.199 15.368 10.683 0.20 22.03 H new ATOM 0 HB3ACYS B 52 22.212 15.377 10.797 0.70 22.03 H new ATOM 0 HB3BCYS B 52 22.352 15.490 12.230 0.20 22.03 H new ATOM 0 HG ACYS B 52 20.706 15.505 13.043 0.70 21.94 H new ATOM 0 HG BCYS B 52 20.081 16.820 11.562 0.20 21.94 H new ATOM 1882 N TRP B 53 25.675 16.171 12.732 1.00 22.19 N ATOM 1883 CA TRP B 53 26.818 15.462 13.338 1.00 21.78 C ATOM 1884 C TRP B 53 26.590 15.136 14.781 1.00 21.31 C ATOM 1885 O TRP B 53 26.048 15.960 15.522 1.00 21.54 O ATOM 1886 CB TRP B 53 28.036 16.376 13.314 1.00 22.30 C ATOM 1887 CG TRP B 53 28.554 16.690 11.935 1.00 24.12 C ATOM 1888 CD1 TRP B 53 28.367 17.862 11.197 1.00 25.26 C ATOM 1889 CD2 TRP B 53 29.388 15.827 11.072 1.00 24.22 C ATOM 1890 NE1 TRP B 53 29.005 17.779 9.973 1.00 24.37 N ATOM 1891 CE2 TRP B 53 29.625 16.589 9.832 1.00 24.64 C ATOM 1892 CE3 TRP B 53 29.899 14.534 11.178 1.00 24.29 C ATOM 1893 CZ2 TRP B 53 30.379 16.066 8.773 1.00 25.08 C ATOM 1894 CZ3 TRP B 53 30.666 14.027 10.106 1.00 25.02 C ATOM 1895 CH2 TRP B 53 30.888 14.774 8.934 1.00 23.93 C ATOM 0 H ATRP B 53 25.627 16.997 12.966 0.70 22.19 H new ATOM 0 H BTRP B 53 25.620 16.999 12.957 0.20 22.19 H new ATOM 0 HA TRP B 53 26.939 14.645 12.829 1.00 21.78 H new ATOM 0 HB2 TRP B 53 27.811 17.208 13.760 1.00 22.30 H new ATOM 0 HB3 TRP B 53 28.747 15.962 13.828 1.00 22.30 H new ATOM 0 HD1 TRP B 53 27.880 18.598 11.489 1.00 25.26 H new ATOM 0 HE1 TRP B 53 29.006 18.403 9.381 1.00 24.37 H new ATOM 0 HE3 TRP B 53 29.739 14.019 11.935 1.00 24.29 H new ATOM 0 HZ2 TRP B 53 30.534 16.556 7.998 1.00 25.08 H new ATOM 0 HZ3 TRP B 53 31.035 13.176 10.176 1.00 25.02 H new ATOM 0 HH2 TRP B 53 31.388 14.397 8.246 1.00 23.93 H new ATOM 1896 N THR B 54 27.042 13.966 15.220 1.00 19.98 N ATOM 1897 CA THR B 54 26.989 13.634 16.636 1.00 19.87 C ATOM 1898 C THR B 54 28.105 12.672 17.022 1.00 19.65 C ATOM 1899 O THR B 54 28.973 12.351 16.214 1.00 18.85 O ATOM 1900 CB THR B 54 25.597 13.046 17.001 1.00 20.49 C ATOM 1901 OG1 THR B 54 25.476 12.944 18.417 1.00 20.99 O ATOM 1902 CG2 THR B 54 25.404 11.654 16.370 1.00 19.92 C ATOM 0 H THR B 54 27.380 13.356 14.718 1.00 19.98 H new ATOM 0 HA THR B 54 27.121 14.451 17.142 1.00 19.87 H new ATOM 0 HB THR B 54 24.914 13.641 16.653 1.00 20.49 H new ATOM 0 HG1 THR B 54 25.106 13.636 18.717 1.00 20.99 H new ATOM 0 HG21 THR B 54 24.531 11.308 16.611 1.00 19.92 H new ATOM 0 HG22 THR B 54 25.469 11.724 15.405 1.00 19.92 H new ATOM 0 HG23 THR B 54 26.091 11.052 16.697 1.00 19.92 H new ATOM 1903 N VAL B 55 28.072 12.188 18.257 1.00 19.97 N ATOM 1904 CA VAL B 55 29.092 11.275 18.734 1.00 20.65 C ATOM 1905 C VAL B 55 28.770 9.808 18.444 1.00 21.55 C ATOM 1906 O VAL B 55 27.639 9.344 18.643 1.00 19.95 O ATOM 1907 CB VAL B 55 29.371 11.462 20.248 1.00 20.85 C ATOM 1908 CG1 VAL B 55 30.028 12.823 20.485 1.00 19.91 C ATOM 1909 CG2 VAL B 55 28.088 11.324 21.076 1.00 20.79 C ATOM 0 H VAL B 55 27.464 12.379 18.834 1.00 19.97 H new ATOM 0 HA VAL B 55 29.892 11.502 18.235 1.00 20.65 H new ATOM 0 HB VAL B 55 29.976 10.762 20.538 1.00 20.85 H new ATOM 0 HG11 VAL B 55 30.202 12.938 21.432 1.00 19.91 H new ATOM 0 HG12 VAL B 55 30.864 12.869 19.996 1.00 19.91 H new ATOM 0 HG13 VAL B 55 29.435 13.527 20.178 1.00 19.91 H new ATOM 0 HG21 VAL B 55 28.295 11.446 22.016 1.00 20.79 H new ATOM 0 HG22 VAL B 55 27.448 11.997 20.796 1.00 20.79 H new ATOM 0 HG23 VAL B 55 27.708 10.442 20.940 1.00 20.79 H new ATOM 1910 N TYR B 56 29.786 9.084 17.976 1.00 22.06 N ATOM 1911 CA TYR B 56 29.662 7.657 17.748 1.00 23.21 C ATOM 1912 C TYR B 56 29.270 6.932 19.033 1.00 23.07 C ATOM 1913 O TYR B 56 28.473 6.008 18.982 1.00 23.35 O ATOM 1914 CB TYR B 56 30.945 7.066 17.154 1.00 25.75 C ATOM 1915 CG TYR B 56 30.830 5.571 16.953 1.00 27.10 C ATOM 1916 CD1 TYR B 56 30.211 5.057 15.816 1.00 28.47 C ATOM 1917 CD2 TYR B 56 31.307 4.675 17.908 1.00 28.68 C ATOM 1918 CE1 TYR B 56 30.071 3.694 15.622 1.00 31.04 C ATOM 1919 CE2 TYR B 56 31.172 3.301 17.724 1.00 31.52 C ATOM 1920 CZ TYR B 56 30.545 2.823 16.575 1.00 33.37 C ATOM 1921 OH TYR B 56 30.396 1.470 16.353 1.00 35.72 O ATOM 0 H TYR B 56 30.559 9.409 17.785 1.00 22.06 H new ATOM 0 HA TYR B 56 28.954 7.526 17.098 1.00 23.21 H new ATOM 0 HB2 TYR B 56 31.136 7.493 16.304 1.00 25.75 H new ATOM 0 HB3 TYR B 56 31.692 7.257 17.742 1.00 25.75 H new ATOM 0 HD1 TYR B 56 29.884 5.643 15.172 1.00 28.47 H new ATOM 0 HD2 TYR B 56 31.720 4.998 18.676 1.00 28.68 H new ATOM 0 HE1 TYR B 56 29.660 3.370 14.854 1.00 31.04 H new ATOM 0 HE2 TYR B 56 31.497 2.708 18.362 1.00 31.52 H new ATOM 0 HH TYR B 56 30.722 1.042 16.998 1.00 35.72 H new ATOM 1922 N HIS B 57 29.801 7.334 20.191 1.00 23.11 N ATOM 1923 CA HIS B 57 29.444 6.602 21.433 1.00 24.13 C ATOM 1924 C HIS B 57 28.017 6.810 21.843 1.00 21.81 C ATOM 1925 O HIS B 57 27.539 6.104 22.689 1.00 21.92 O ATOM 1926 CB HIS B 57 30.388 6.891 22.615 1.00 24.92 C ATOM 1927 CG HIS B 57 30.263 8.290 23.188 1.00 26.67 C ATOM 1928 ND1 HIS B 57 31.037 9.316 22.775 1.00 28.05 N ATOM 1929 CD2 HIS B 57 29.443 8.804 24.207 1.00 28.82 C ATOM 1930 CE1 HIS B 57 30.734 10.433 23.476 1.00 27.23 C ATOM 1931 NE2 HIS B 57 29.753 10.123 24.349 1.00 28.17 N ATOM 0 H HIS B 57 30.344 7.994 20.288 1.00 23.11 H new ATOM 0 HA HIS B 57 29.556 5.667 21.199 1.00 24.13 H new ATOM 0 HB2 HIS B 57 30.213 6.248 23.320 1.00 24.92 H new ATOM 0 HB3 HIS B 57 31.303 6.752 22.325 1.00 24.92 H new ATOM 0 HD1 HIS B 57 31.634 9.267 22.158 1.00 28.05 H new ATOM 0 HD2 HIS B 57 28.807 8.332 24.694 1.00 28.82 H new ATOM 0 HE1 HIS B 57 31.132 11.267 23.374 1.00 27.23 H new ATOM 1932 N GLY B 58 27.338 7.800 21.257 1.00 20.88 N ATOM 1933 CA GLY B 58 25.895 7.989 21.465 1.00 19.64 C ATOM 1934 C GLY B 58 25.042 7.289 20.405 1.00 19.90 C ATOM 1935 O GLY B 58 24.097 6.560 20.731 1.00 19.04 O ATOM 0 H GLY B 58 27.697 8.378 20.731 1.00 20.88 H new ATOM 0 HA2 GLY B 58 25.653 7.652 22.342 1.00 19.64 H new ATOM 0 HA3 GLY B 58 25.694 8.938 21.460 1.00 19.64 H new ATOM 1936 N ALA B 59 25.418 7.462 19.134 1.00 19.70 N ATOM 1937 CA ALA B 59 24.561 7.078 18.013 1.00 20.03 C ATOM 1938 C ALA B 59 24.896 5.698 17.480 1.00 20.89 C ATOM 1939 O ALA B 59 24.079 5.085 16.791 1.00 20.89 O ATOM 1940 CB ALA B 59 24.670 8.113 16.885 1.00 18.62 C ATOM 0 H ALA B 59 26.172 7.803 18.901 1.00 19.70 H new ATOM 0 HA ALA B 59 23.650 7.050 18.345 1.00 20.03 H new ATOM 0 HB1 ALA B 59 24.098 7.849 16.147 1.00 18.62 H new ATOM 0 HB2 ALA B 59 24.391 8.982 17.215 1.00 18.62 H new ATOM 0 HB3 ALA B 59 25.589 8.163 16.579 1.00 18.62 H new ATOM 1941 N GLY B 60 26.103 5.225 17.788 1.00 20.87 N ATOM 1942 CA GLY B 60 26.696 4.080 17.101 1.00 20.46 C ATOM 1943 C GLY B 60 26.496 4.180 15.597 1.00 20.20 C ATOM 1944 O GLY B 60 26.644 5.250 15.021 1.00 21.19 O ATOM 0 H GLY B 60 26.602 5.561 18.403 1.00 20.87 H new ATOM 0 HA2 GLY B 60 27.644 4.034 17.302 1.00 20.46 H new ATOM 0 HA3 GLY B 60 26.296 3.259 17.430 1.00 20.46 H new ATOM 1945 N ASER B 61 26.132 3.060 14.972 0.50 19.98 N ATOM 1946 CA ASER B 61 25.950 2.964 13.514 0.50 19.60 C ATOM 1947 C ASER B 61 24.516 3.230 13.024 0.50 19.57 C ATOM 1948 O ASER B 61 24.215 3.042 11.830 0.50 18.70 O ATOM 1949 CB ASER B 61 26.346 1.564 13.048 0.50 19.99 C ATOM 1950 OG ASER B 61 27.734 1.346 13.193 0.50 19.76 O ATOM 1951 N BSER B 61 26.133 3.063 14.980 0.50 20.11 N ATOM 1952 CA BSER B 61 25.964 2.978 13.534 0.50 19.81 C ATOM 1953 C BSER B 61 24.497 3.080 13.093 0.50 19.82 C ATOM 1954 O BSER B 61 24.150 2.637 11.993 0.50 19.35 O ATOM 1955 CB BSER B 61 26.513 1.639 13.064 0.50 20.31 C ATOM 1956 OG BSER B 61 25.885 0.594 13.780 0.50 20.21 O ATOM 0 H ASER B 61 25.981 2.321 15.386 0.50 20.11 H new ATOM 0 H BSER B 61 25.976 2.325 15.392 0.50 20.11 H new ATOM 0 HA ASER B 61 26.513 3.659 13.138 0.50 19.81 H new ATOM 0 HA BSER B 61 26.439 3.727 13.142 0.50 19.81 H new ATOM 0 HB2ASER B 61 25.857 0.901 13.560 0.50 20.31 H new ATOM 0 HB2BSER B 61 26.358 1.531 12.113 0.50 20.31 H new ATOM 0 HB3ASER B 61 26.094 1.447 12.119 0.50 20.31 H new ATOM 0 HB3BSER B 61 27.473 1.606 13.200 0.50 20.31 H new ATOM 0 HG ASER B 61 27.925 0.571 12.932 0.50 20.21 H new ATOM 0 HG BSER B 61 25.080 0.538 13.546 0.50 20.21 H new ATOM 1957 N LYS B 62 23.654 3.682 13.937 1.00 18.80 N ATOM 1958 CA LYS B 62 22.200 3.733 13.719 1.00 17.59 C ATOM 1959 C LYS B 62 21.733 4.732 12.686 1.00 16.88 C ATOM 1960 O LYS B 62 22.358 5.778 12.477 1.00 17.35 O ATOM 1961 CB LYS B 62 21.482 4.065 15.034 1.00 18.21 C ATOM 1962 CG LYS B 62 21.600 2.998 16.093 1.00 18.42 C ATOM 1963 CD LYS B 62 21.108 3.564 17.411 1.00 20.55 C ATOM 1964 CE LYS B 62 20.806 2.478 18.423 1.00 20.94 C ATOM 1965 NZ LYS B 62 22.054 1.731 18.646 1.00 24.28 N ATOM 0 H ALYS B 62 23.897 3.971 14.710 0.50 18.80 H new ATOM 0 H BLYS B 62 23.910 4.075 14.658 0.50 18.80 H new ATOM 0 HA LYS B 62 21.979 2.851 13.382 1.00 17.59 H new ATOM 0 HB2 LYS B 62 21.840 4.895 15.385 1.00 18.21 H new ATOM 0 HB3 LYS B 62 20.542 4.218 14.847 1.00 18.21 H new ATOM 0 HG2 LYS B 62 21.077 2.219 15.845 1.00 18.42 H new ATOM 0 HG3 LYS B 62 22.521 2.706 16.175 1.00 18.42 H new ATOM 0 HD2 LYS B 62 21.778 4.164 17.774 1.00 20.55 H new ATOM 0 HD3 LYS B 62 20.309 4.091 17.256 1.00 20.55 H new ATOM 0 HE2 LYS B 62 20.485 2.863 19.253 1.00 20.94 H new ATOM 0 HE3 LYS B 62 20.108 1.889 18.095 1.00 20.94 H new ATOM 0 HZ1 LYS B 62 22.045 1.375 19.462 1.00 24.28 H new ATOM 0 HZ2 LYS B 62 22.125 1.083 18.040 1.00 24.28 H new ATOM 0 HZ3 LYS B 62 22.748 2.283 18.571 1.00 24.28 H new ATOM 1966 N THR B 63 20.587 4.424 12.080 1.00 15.90 N ATOM 1967 CA THR B 63 19.885 5.363 11.236 1.00 16.22 C ATOM 1968 C THR B 63 19.254 6.465 12.085 1.00 16.28 C ATOM 1969 O THR B 63 19.037 6.298 13.302 1.00 15.44 O ATOM 1970 CB THR B 63 18.756 4.673 10.451 1.00 16.28 C ATOM 1971 OG1 THR B 63 18.104 3.730 11.306 1.00 17.17 O ATOM 1972 CG2 THR B 63 19.303 3.940 9.244 1.00 15.50 C ATOM 0 H THR B 63 20.200 3.659 12.153 1.00 15.90 H new ATOM 0 HA THR B 63 20.534 5.733 10.618 1.00 16.22 H new ATOM 0 HB THR B 63 18.132 5.351 10.147 1.00 16.28 H new ATOM 0 HG1 THR B 63 17.459 4.103 11.695 1.00 17.17 H new ATOM 0 HG21 THR B 63 18.574 3.514 8.766 1.00 15.50 H new ATOM 0 HG22 THR B 63 19.749 4.570 8.657 1.00 15.50 H new ATOM 0 HG23 THR B 63 19.937 3.265 9.535 1.00 15.50 H new ATOM 1973 N LEU B 64 18.958 7.578 11.428 1.00 16.74 N ATOM 1974 CA LEU B 64 18.183 8.681 12.020 1.00 17.18 C ATOM 1975 C LEU B 64 16.793 8.594 11.457 1.00 17.43 C ATOM 1976 O LEU B 64 16.642 8.542 10.244 1.00 17.31 O ATOM 1977 CB LEU B 64 18.777 10.023 11.573 1.00 17.10 C ATOM 1978 CG LEU B 64 18.085 11.301 12.032 1.00 16.55 C ATOM 1979 CD1 LEU B 64 18.191 11.384 13.550 1.00 16.10 C ATOM 1980 CD2 LEU B 64 18.791 12.478 11.363 1.00 16.50 C ATOM 0 H LEU B 64 19.201 7.723 10.616 1.00 16.74 H new ATOM 0 HA LEU B 64 18.194 8.620 12.988 1.00 17.18 H new ATOM 0 HB2 LEU B 64 19.697 10.057 11.879 1.00 17.10 H new ATOM 0 HB3 LEU B 64 18.800 10.029 10.603 1.00 17.10 H new ATOM 0 HG LEU B 64 17.146 11.314 11.788 1.00 16.55 H new ATOM 0 HD11 LEU B 64 17.755 12.193 13.861 1.00 16.10 H new ATOM 0 HD12 LEU B 64 17.760 10.611 13.947 1.00 16.10 H new ATOM 0 HD13 LEU B 64 19.126 11.401 13.809 1.00 16.10 H new ATOM 0 HD21 LEU B 64 18.370 13.307 11.638 1.00 16.50 H new ATOM 0 HD22 LEU B 64 19.725 12.487 11.626 1.00 16.50 H new ATOM 0 HD23 LEU B 64 18.728 12.388 10.399 1.00 16.50 H new ATOM 1981 N ALA B 65 15.775 8.596 12.326 1.00 18.10 N ATOM 1982 CA ALA B 65 14.389 8.529 11.883 1.00 17.31 C ATOM 1983 C ALA B 65 14.065 9.767 11.048 1.00 18.06 C ATOM 1984 O ALA B 65 14.396 10.881 11.437 1.00 17.48 O ATOM 1985 CB ALA B 65 13.449 8.408 13.085 1.00 18.09 C ATOM 0 H ALA B 65 15.873 8.636 13.179 1.00 18.10 H new ATOM 0 HA ALA B 65 14.262 7.741 11.332 1.00 17.31 H new ATOM 0 HB1 ALA B 65 12.531 8.364 12.775 1.00 18.09 H new ATOM 0 HB2 ALA B 65 13.661 7.602 13.582 1.00 18.09 H new ATOM 0 HB3 ALA B 65 13.559 9.181 13.661 1.00 18.09 H new ATOM 1986 N GLY B 66 13.469 9.573 9.869 1.00 18.14 N ATOM 1987 CA GLY B 66 13.233 10.686 8.958 1.00 17.38 C ATOM 1988 C GLY B 66 11.849 10.660 8.322 1.00 18.23 C ATOM 1989 O GLY B 66 11.073 9.717 8.523 1.00 16.11 O ATOM 0 H GLY B 66 13.197 8.809 9.583 1.00 18.14 H new ATOM 0 HA2 GLY B 66 13.345 11.520 9.440 1.00 17.38 H new ATOM 0 HA3 GLY B 66 13.904 10.671 8.258 1.00 17.38 H new ATOM 1990 N PRO B 67 11.512 11.726 7.583 1.00 19.95 N ATOM 1991 CA PRO B 67 10.191 11.833 6.973 1.00 21.62 C ATOM 1992 C PRO B 67 9.939 10.760 5.888 1.00 23.99 C ATOM 1993 O PRO B 67 8.799 10.298 5.714 1.00 25.35 O ATOM 1994 CB PRO B 67 10.146 13.282 6.457 1.00 21.05 C ATOM 1995 CG PRO B 67 11.561 13.729 6.379 1.00 21.91 C ATOM 1996 CD PRO B 67 12.306 12.968 7.443 1.00 21.39 C ATOM 0 HA PRO B 67 9.470 11.657 7.598 1.00 21.62 H new ATOM 0 HB2 PRO B 67 9.718 13.329 5.588 1.00 21.05 H new ATOM 0 HB3 PRO B 67 9.635 13.849 7.056 1.00 21.05 H new ATOM 0 HG2 PRO B 67 11.932 13.549 5.501 1.00 21.91 H new ATOM 0 HG3 PRO B 67 11.630 14.685 6.526 1.00 21.91 H new ATOM 0 HD2 PRO B 67 13.220 12.782 7.178 1.00 21.39 H new ATOM 0 HD3 PRO B 67 12.348 13.463 8.276 1.00 21.39 H new ATOM 1997 N LYS B 68 10.992 10.300 5.214 1.00 26.51 N ATOM 1998 CA LYS B 68 10.812 9.220 4.238 1.00 26.83 C ATOM 1999 C LYS B 68 11.301 7.878 4.749 1.00 27.74 C ATOM 2000 O LYS B 68 11.525 6.968 3.974 1.00 28.12 O ATOM 2001 CB LYS B 68 11.465 9.587 2.896 1.00 29.55 C ATOM 2002 CG LYS B 68 10.820 10.814 2.297 1.00 31.96 C ATOM 2003 CD LYS B 68 11.195 11.049 0.861 1.00 35.99 C ATOM 2004 CE LYS B 68 10.142 11.945 0.215 1.00 37.87 C ATOM 2005 NZ LYS B 68 10.725 12.767 -0.881 1.00 38.06 N ATOM 0 H LYS B 68 11.798 10.588 5.301 1.00 26.51 H new ATOM 0 HA LYS B 68 9.858 9.121 4.096 1.00 26.83 H new ATOM 0 HB2 LYS B 68 12.413 9.747 3.027 1.00 29.55 H new ATOM 0 HB3 LYS B 68 11.386 8.842 2.280 1.00 29.55 H new ATOM 0 HG2 LYS B 68 9.856 10.728 2.362 1.00 31.96 H new ATOM 0 HG3 LYS B 68 11.071 11.591 2.821 1.00 31.96 H new ATOM 0 HD2 LYS B 68 12.069 11.466 0.807 1.00 35.99 H new ATOM 0 HD3 LYS B 68 11.253 10.205 0.387 1.00 35.99 H new ATOM 0 HE2 LYS B 68 9.422 11.399 -0.137 1.00 37.87 H new ATOM 0 HE3 LYS B 68 9.754 12.527 0.887 1.00 37.87 H new ATOM 0 HZ1 LYS B 68 10.090 13.278 -1.239 1.00 38.06 H new ATOM 0 HZ2 LYS B 68 11.372 13.283 -0.553 1.00 38.06 H new ATOM 0 HZ3 LYS B 68 11.062 12.232 -1.507 1.00 38.06 H new ATOM 2006 N GLY B 69 11.423 7.736 6.063 1.00 26.15 N ATOM 2007 CA GLY B 69 11.956 6.502 6.632 1.00 22.72 C ATOM 2008 C GLY B 69 13.368 6.735 7.153 1.00 21.40 C ATOM 2009 O GLY B 69 13.863 7.862 7.147 1.00 20.78 O ATOM 0 H GLY B 69 11.205 8.336 6.640 1.00 26.15 H new ATOM 0 HA2 GLY B 69 11.384 6.196 7.353 1.00 22.72 H new ATOM 0 HA3 GLY B 69 11.963 5.803 5.959 1.00 22.72 H new ATOM 2010 N PRO B 70 14.022 5.673 7.630 1.00 21.53 N ATOM 2011 CA PRO B 70 15.318 5.852 8.301 1.00 21.34 C ATOM 2012 C PRO B 70 16.391 6.382 7.350 1.00 21.53 C ATOM 2013 O PRO B 70 16.412 6.036 6.153 1.00 20.72 O ATOM 2014 CB PRO B 70 15.679 4.437 8.767 1.00 21.59 C ATOM 2015 CG PRO B 70 14.429 3.622 8.651 1.00 21.33 C ATOM 2016 CD PRO B 70 13.559 4.267 7.630 1.00 20.66 C ATOM 0 HA PRO B 70 15.266 6.501 9.020 1.00 21.34 H new ATOM 0 HB2 PRO B 70 16.387 4.063 8.220 1.00 21.59 H new ATOM 0 HB3 PRO B 70 16.002 4.446 9.682 1.00 21.59 H new ATOM 0 HG2 PRO B 70 14.640 2.711 8.392 1.00 21.33 H new ATOM 0 HG3 PRO B 70 13.973 3.575 9.506 1.00 21.33 H new ATOM 0 HD2 PRO B 70 13.664 3.855 6.758 1.00 20.66 H new ATOM 0 HD3 PRO B 70 12.620 4.199 7.865 1.00 20.66 H new ATOM 2017 N ILE B 71 17.248 7.242 7.882 1.00 21.27 N ATOM 2018 CA ILE B 71 18.310 7.871 7.117 1.00 21.78 C ATOM 2019 C ILE B 71 19.637 7.217 7.496 1.00 21.31 C ATOM 2020 O ILE B 71 20.054 7.220 8.661 1.00 19.78 O ATOM 2021 CB ILE B 71 18.389 9.393 7.399 1.00 23.36 C ATOM 2022 CG1 ILE B 71 17.055 10.080 7.057 1.00 24.84 C ATOM 2023 CG2 ILE B 71 19.559 10.028 6.647 1.00 22.76 C ATOM 2024 CD1 ILE B 71 16.873 11.421 7.744 1.00 26.65 C ATOM 0 H ILE B 71 17.228 7.479 8.708 1.00 21.27 H new ATOM 0 HA ILE B 71 18.124 7.752 6.172 1.00 21.78 H new ATOM 0 HB ILE B 71 18.550 9.520 8.347 1.00 23.36 H new ATOM 0 HG12 ILE B 71 17.001 10.206 6.097 1.00 24.84 H new ATOM 0 HG13 ILE B 71 16.324 9.494 7.308 1.00 24.84 H new ATOM 0 HG21 ILE B 71 19.589 10.979 6.838 1.00 22.76 H new ATOM 0 HG22 ILE B 71 20.389 9.615 6.932 1.00 22.76 H new ATOM 0 HG23 ILE B 71 19.442 9.894 5.693 1.00 22.76 H new ATOM 0 HD11 ILE B 71 16.018 11.802 7.490 1.00 26.65 H new ATOM 0 HD12 ILE B 71 16.899 11.298 8.706 1.00 26.65 H new ATOM 0 HD13 ILE B 71 17.586 12.021 7.476 1.00 26.65 H new ATOM 2025 N THR B 72 20.300 6.666 6.496 1.00 19.94 N ATOM 2026 CA THR B 72 21.603 6.032 6.704 1.00 20.00 C ATOM 2027 C THR B 72 22.640 7.091 6.975 1.00 18.91 C ATOM 2028 O THR B 72 22.587 8.172 6.387 1.00 17.40 O ATOM 2029 CB THR B 72 22.008 5.225 5.453 1.00 19.51 C ATOM 2030 OG1 THR B 72 20.970 4.269 5.183 1.00 21.38 O ATOM 2031 CG2 THR B 72 23.325 4.504 5.672 1.00 18.86 C ATOM 0 H THR B 72 20.018 6.645 5.684 1.00 19.94 H new ATOM 0 HA THR B 72 21.543 5.431 7.463 1.00 20.00 H new ATOM 0 HB THR B 72 22.122 5.829 4.703 1.00 19.51 H new ATOM 0 HG1 THR B 72 20.977 4.071 4.367 1.00 21.38 H new ATOM 0 HG21 THR B 72 23.558 4.005 4.873 1.00 18.86 H new ATOM 0 HG22 THR B 72 24.021 5.152 5.862 1.00 18.86 H new ATOM 0 HG23 THR B 72 23.239 3.893 6.421 1.00 18.86 H new ATOM 2032 N GLN B 73 23.563 6.784 7.880 1.00 19.94 N ATOM 2033 CA GLN B 73 24.718 7.641 8.113 1.00 22.19 C ATOM 2034 C GLN B 73 25.471 7.865 6.789 1.00 25.04 C ATOM 2035 O GLN B 73 25.704 6.933 6.012 1.00 24.12 O ATOM 2036 CB GLN B 73 25.641 7.047 9.162 1.00 21.32 C ATOM 2037 CG GLN B 73 25.028 7.064 10.552 1.00 20.79 C ATOM 2038 CD GLN B 73 25.890 6.432 11.598 1.00 21.73 C ATOM 2039 OE1 GLN B 73 27.096 6.239 11.400 1.00 22.09 O ATOM 2040 NE2 GLN B 73 25.289 6.148 12.764 1.00 20.99 N ATOM 0 H GLN B 73 23.538 6.079 8.372 1.00 19.94 H new ATOM 0 HA GLN B 73 24.406 8.495 8.450 1.00 22.19 H new ATOM 0 HB2 GLN B 73 25.857 6.133 8.918 1.00 21.32 H new ATOM 0 HB3 GLN B 73 26.475 7.543 9.173 1.00 21.32 H new ATOM 0 HG2 GLN B 73 24.847 7.983 10.806 1.00 20.79 H new ATOM 0 HG3 GLN B 73 24.175 6.603 10.526 1.00 20.79 H new ATOM 0 HE21 GLN B 73 24.448 6.297 12.862 1.00 20.99 H new ATOM 0 HE22 GLN B 73 25.745 5.817 13.414 1.00 20.99 H new ATOM 2041 N MET B 74 25.773 9.126 6.538 1.00 27.85 N ATOM 2042 CA MET B 74 26.585 9.554 5.433 1.00 31.01 C ATOM 2043 C MET B 74 28.055 9.406 5.842 1.00 31.39 C ATOM 2044 O MET B 74 28.875 9.058 5.017 1.00 30.30 O ATOM 2045 CB MET B 74 26.230 10.998 5.128 1.00 36.88 C ATOM 2046 CG MET B 74 26.764 11.568 3.833 1.00 45.80 C ATOM 2047 SD MET B 74 25.818 13.050 3.416 1.00 57.44 S ATOM 2048 CE MET B 74 24.560 12.354 2.345 1.00 59.95 C ATOM 0 H MET B 74 25.497 9.776 7.029 1.00 27.85 H new ATOM 0 HA MET B 74 26.433 9.023 4.636 1.00 31.01 H new ATOM 0 HB2 MET B 74 25.263 11.077 5.118 1.00 36.88 H new ATOM 0 HB3 MET B 74 26.552 11.550 5.858 1.00 36.88 H new ATOM 0 HG2 MET B 74 27.705 11.785 3.924 1.00 45.80 H new ATOM 0 HG3 MET B 74 26.692 10.912 3.122 1.00 45.80 H new ATOM 0 HE1 MET B 74 24.098 13.069 1.880 1.00 59.95 H new ATOM 0 HE2 MET B 74 24.976 11.764 1.697 1.00 59.95 H new ATOM 0 HE3 MET B 74 23.924 11.851 2.877 1.00 59.95 H new ATOM 2049 N TYR B 75 28.387 9.660 7.115 1.00 30.71 N ATOM 2050 CA TYR B 75 29.760 9.492 7.609 1.00 29.16 C ATOM 2051 C TYR B 75 29.788 8.738 8.915 1.00 27.22 C ATOM 2052 O TYR B 75 28.965 8.978 9.801 1.00 26.40 O ATOM 2053 CB TYR B 75 30.454 10.851 7.774 1.00 31.80 C ATOM 2054 CG TYR B 75 30.341 11.710 6.548 1.00 34.95 C ATOM 2055 CD1 TYR B 75 31.119 11.434 5.407 1.00 35.42 C ATOM 2056 CD2 TYR B 75 29.429 12.774 6.491 1.00 35.65 C ATOM 2057 CE1 TYR B 75 31.014 12.210 4.268 1.00 34.47 C ATOM 2058 CE2 TYR B 75 29.314 13.552 5.343 1.00 36.40 C ATOM 2059 CZ TYR B 75 30.114 13.259 4.238 1.00 36.22 C ATOM 2060 OH TYR B 75 30.022 14.011 3.091 1.00 37.37 O ATOM 0 H TYR B 75 27.828 9.932 7.710 1.00 30.71 H new ATOM 0 HA TYR B 75 30.242 8.972 6.947 1.00 29.16 H new ATOM 0 HB2 TYR B 75 30.065 11.319 8.530 1.00 31.80 H new ATOM 0 HB3 TYR B 75 31.391 10.709 7.980 1.00 31.80 H new ATOM 0 HD1 TYR B 75 31.713 10.718 5.420 1.00 35.42 H new ATOM 0 HD2 TYR B 75 28.895 12.962 7.229 1.00 35.65 H new ATOM 0 HE1 TYR B 75 31.545 12.028 3.527 1.00 34.47 H new ATOM 0 HE2 TYR B 75 28.711 14.259 5.313 1.00 36.40 H new ATOM 0 HH TYR B 75 29.445 14.612 3.195 1.00 37.37 H new ATOM 2061 N THR B 76 30.732 7.809 9.041 1.00 26.35 N ATOM 2062 CA THR B 76 30.824 6.973 10.236 1.00 26.28 C ATOM 2063 C THR B 76 32.308 6.803 10.559 1.00 29.87 C ATOM 2064 O THR B 76 32.953 5.909 10.029 1.00 32.90 O ATOM 2065 CB THR B 76 30.157 5.587 10.010 1.00 25.50 C ATOM 2066 OG1 THR B 76 28.862 5.751 9.390 1.00 23.76 O ATOM 2067 CG2 THR B 76 30.038 4.814 11.326 1.00 24.11 C ATOM 0 H THR B 76 31.330 7.646 8.445 1.00 26.35 H new ATOM 0 HA THR B 76 30.355 7.395 10.973 1.00 26.28 H new ATOM 0 HB THR B 76 30.721 5.070 9.414 1.00 25.50 H new ATOM 0 HG1 THR B 76 28.288 5.917 9.980 1.00 23.76 H new ATOM 0 HG21 THR B 76 29.620 3.955 11.160 1.00 24.11 H new ATOM 0 HG22 THR B 76 30.922 4.676 11.702 1.00 24.11 H new ATOM 0 HG23 THR B 76 29.497 5.321 11.951 1.00 24.11 H new ATOM 2068 N ASN B 77 32.851 7.673 11.407 1.00 30.37 N ATOM 2069 CA ASN B 77 34.283 7.679 11.702 1.00 29.63 C ATOM 2070 C ASN B 77 34.541 7.287 13.140 1.00 29.78 C ATOM 2071 O ASN B 77 34.582 8.150 14.041 1.00 31.88 O ATOM 2072 CB ASN B 77 34.849 9.069 11.449 1.00 30.07 C ATOM 2073 CG ASN B 77 36.370 9.094 11.488 1.00 32.83 C ATOM 2074 OD1 ASN B 77 37.027 8.230 12.104 1.00 30.19 O ATOM 2075 ND2 ASN B 77 36.940 10.102 10.838 1.00 31.86 N ATOM 0 H ASN B 77 32.402 8.275 11.827 1.00 30.37 H new ATOM 0 HA ASN B 77 34.717 7.033 11.123 1.00 29.63 H new ATOM 0 HB2 ASN B 77 34.545 9.386 10.584 1.00 30.07 H new ATOM 0 HB3 ASN B 77 34.501 9.683 12.115 1.00 30.07 H new ATOM 0 HD21 ASN B 77 37.797 10.179 10.830 1.00 31.86 H new ATOM 0 HD22 ASN B 77 36.453 10.678 10.425 1.00 31.86 H new ATOM 2076 N VAL B 78 34.710 5.986 13.358 1.00 30.80 N ATOM 2077 CA VAL B 78 34.731 5.406 14.698 1.00 30.79 C ATOM 2078 C VAL B 78 35.910 5.914 15.556 1.00 34.60 C ATOM 2079 O VAL B 78 35.776 6.077 16.775 1.00 34.60 O ATOM 2080 CB VAL B 78 34.733 3.862 14.614 1.00 31.19 C ATOM 2081 CG1 VAL B 78 34.961 3.211 15.976 1.00 27.57 C ATOM 2082 CG2 VAL B 78 33.441 3.361 13.964 1.00 31.27 C ATOM 0 H VAL B 78 34.817 5.411 12.728 1.00 30.80 H new ATOM 0 HA VAL B 78 33.923 5.699 15.146 1.00 30.79 H new ATOM 0 HB VAL B 78 35.480 3.599 14.054 1.00 31.19 H new ATOM 0 HG11 VAL B 78 34.955 2.246 15.879 1.00 27.57 H new ATOM 0 HG12 VAL B 78 35.818 3.494 16.331 1.00 27.57 H new ATOM 0 HG13 VAL B 78 34.255 3.479 16.585 1.00 27.57 H new ATOM 0 HG21 VAL B 78 33.456 2.392 13.918 1.00 31.27 H new ATOM 0 HG22 VAL B 78 32.680 3.647 14.493 1.00 31.27 H new ATOM 0 HG23 VAL B 78 33.367 3.726 13.068 1.00 31.27 H new ATOM 2083 N ASP B 79 37.056 6.155 14.925 1.00 36.89 N ATOM 2084 CA ASP B 79 38.260 6.481 15.682 1.00 41.05 C ATOM 2085 C ASP B 79 38.157 7.902 16.206 1.00 38.52 C ATOM 2086 O ASP B 79 38.559 8.168 17.323 1.00 40.50 O ATOM 2087 CB ASP B 79 39.534 6.242 14.851 1.00 46.48 C ATOM 2088 CG ASP B 79 39.950 4.768 14.828 1.00 52.21 C ATOM 2089 OD1 ASP B 79 39.644 4.025 15.798 1.00 55.50 O ATOM 2090 OD2 ASP B 79 40.599 4.348 13.843 1.00 54.30 O ATOM 0 H ASP B 79 37.157 6.135 14.071 1.00 36.89 H new ATOM 0 HA ASP B 79 38.330 5.885 16.444 1.00 41.05 H new ATOM 0 HB2 ASP B 79 39.386 6.548 13.942 1.00 46.48 H new ATOM 0 HB3 ASP B 79 40.259 6.774 15.215 1.00 46.48 H new ATOM 2091 N GLN B 80 37.563 8.790 15.410 1.00 37.89 N ATOM 2092 CA GLN B 80 37.236 10.143 15.850 1.00 36.82 C ATOM 2093 C GLN B 80 35.967 10.276 16.700 1.00 32.77 C ATOM 2094 O GLN B 80 35.667 11.365 17.147 1.00 32.37 O ATOM 2095 CB GLN B 80 37.096 11.084 14.660 1.00 41.96 C ATOM 2096 CG GLN B 80 38.205 10.976 13.639 1.00 50.02 C ATOM 2097 CD GLN B 80 38.596 12.333 13.113 1.00 59.54 C ATOM 2098 OE1 GLN B 80 39.420 13.020 13.718 1.00 66.02 O ATOM 2099 NE2 GLN B 80 37.999 12.738 11.989 1.00 61.00 N ATOM 0 H GLN B 80 37.338 8.623 14.597 1.00 37.89 H new ATOM 0 HA GLN B 80 37.985 10.382 16.418 1.00 36.82 H new ATOM 0 HB2 GLN B 80 36.249 10.907 14.221 1.00 41.96 H new ATOM 0 HB3 GLN B 80 37.061 11.997 14.987 1.00 41.96 H new ATOM 0 HG2 GLN B 80 38.977 10.547 14.040 1.00 50.02 H new ATOM 0 HG3 GLN B 80 37.918 10.412 12.904 1.00 50.02 H new ATOM 0 HE21 GLN B 80 37.429 12.227 11.597 1.00 61.00 H new ATOM 0 HE22 GLN B 80 38.185 13.509 11.657 1.00 61.00 H new ATOM 2100 N ASP B 81 35.220 9.194 16.903 1.00 31.71 N ATOM 2101 CA ASP B 81 33.958 9.243 17.680 1.00 32.56 C ATOM 2102 C ASP B 81 32.930 10.173 17.002 1.00 28.86 C ATOM 2103 O ASP B 81 32.225 10.938 17.646 1.00 27.46 O ATOM 2104 CB ASP B 81 34.222 9.679 19.137 1.00 32.90 C ATOM 2105 CG ASP B 81 33.069 9.347 20.067 1.00 36.16 C ATOM 2106 OD1 ASP B 81 32.235 8.504 19.711 1.00 35.64 O ATOM 2107 OD2 ASP B 81 32.989 9.925 21.170 1.00 37.25 O ATOM 0 H ASP B 81 35.419 8.413 16.602 1.00 31.71 H new ATOM 0 HA ASP B 81 33.584 8.348 17.700 1.00 32.56 H new ATOM 0 HB2 ASP B 81 35.028 9.245 19.459 1.00 32.90 H new ATOM 0 HB3 ASP B 81 34.386 10.635 19.160 1.00 32.90 H new ATOM 2108 N LEU B 82 32.861 10.089 15.686 1.00 25.76 N ATOM 2109 CA LEU B 82 32.071 11.008 14.926 1.00 27.28 C ATOM 2110 C LEU B 82 31.170 10.250 13.954 1.00 25.70 C ATOM 2111 O LEU B 82 31.643 9.321 13.276 1.00 25.92 O ATOM 2112 CB LEU B 82 33.021 11.947 14.145 1.00 28.96 C ATOM 2113 CG LEU B 82 32.406 13.094 13.345 1.00 31.14 C ATOM 2114 CD1 LEU B 82 31.613 14.016 14.263 1.00 31.99 C ATOM 2115 CD2 LEU B 82 33.495 13.874 12.628 1.00 32.22 C ATOM 0 H LEU B 82 33.272 9.497 15.217 1.00 25.76 H new ATOM 0 HA LEU B 82 31.509 11.527 15.522 1.00 27.28 H new ATOM 0 HB2 LEU B 82 33.646 12.330 14.780 1.00 28.96 H new ATOM 0 HB3 LEU B 82 33.538 11.402 13.532 1.00 28.96 H new ATOM 0 HG LEU B 82 31.801 12.723 12.684 1.00 31.14 H new ATOM 0 HD11 LEU B 82 31.229 14.739 13.743 1.00 31.99 H new ATOM 0 HD12 LEU B 82 30.903 13.513 14.692 1.00 31.99 H new ATOM 0 HD13 LEU B 82 32.202 14.384 14.940 1.00 31.99 H new ATOM 0 HD21 LEU B 82 33.095 14.599 12.123 1.00 32.22 H new ATOM 0 HD22 LEU B 82 34.115 14.237 13.279 1.00 32.22 H new ATOM 0 HD23 LEU B 82 33.971 13.284 12.023 1.00 32.22 H new ATOM 2116 N VAL B 83 29.891 10.633 13.893 1.00 23.28 N ATOM 2117 CA VAL B 83 29.024 10.214 12.796 1.00 22.67 C ATOM 2118 C VAL B 83 28.176 11.380 12.282 1.00 22.52 C ATOM 2119 O VAL B 83 27.986 12.394 12.979 1.00 22.33 O ATOM 2120 CB VAL B 83 28.137 8.997 13.149 1.00 23.42 C ATOM 2121 CG1 VAL B 83 28.968 7.855 13.724 1.00 23.67 C ATOM 2122 CG2 VAL B 83 27.035 9.384 14.114 1.00 22.62 C ATOM 0 H VAL B 83 29.510 11.135 14.478 1.00 23.28 H new ATOM 0 HA VAL B 83 29.615 9.924 12.083 1.00 22.67 H new ATOM 0 HB VAL B 83 27.727 8.690 12.325 1.00 23.42 H new ATOM 0 HG11 VAL B 83 28.388 7.107 13.936 1.00 23.67 H new ATOM 0 HG12 VAL B 83 29.630 7.576 13.072 1.00 23.67 H new ATOM 0 HG13 VAL B 83 29.416 8.155 14.531 1.00 23.67 H new ATOM 0 HG21 VAL B 83 26.495 8.605 14.318 1.00 22.62 H new ATOM 0 HG22 VAL B 83 27.427 9.729 14.932 1.00 22.62 H new ATOM 0 HG23 VAL B 83 26.477 10.067 13.711 1.00 22.62 H new ATOM 2123 N GLY B 84 27.690 11.248 11.054 1.00 21.69 N ATOM 2124 CA GLY B 84 26.871 12.284 10.450 1.00 21.63 C ATOM 2125 C GLY B 84 25.814 11.684 9.550 1.00 24.01 C ATOM 2126 O GLY B 84 26.078 10.672 8.872 1.00 22.75 O ATOM 0 H GLY B 84 27.825 10.562 10.553 1.00 21.69 H new ATOM 0 HA2 GLY B 84 26.447 12.812 11.145 1.00 21.63 H new ATOM 0 HA3 GLY B 84 27.432 12.887 9.938 1.00 21.63 H new ATOM 2127 N TRP B 85 24.629 12.311 9.545 1.00 24.21 N ATOM 2128 CA TRP B 85 23.552 12.015 8.599 1.00 24.15 C ATOM 2129 C TRP B 85 23.309 13.237 7.795 1.00 26.95 C ATOM 2130 O TRP B 85 23.536 14.347 8.278 1.00 26.40 O ATOM 2131 CB TRP B 85 22.239 11.701 9.302 1.00 21.59 C ATOM 2132 CG TRP B 85 22.286 10.583 10.301 1.00 20.34 C ATOM 2133 CD1 TRP B 85 22.133 9.212 10.072 1.00 19.61 C ATOM 2134 CD2 TRP B 85 22.472 10.709 11.747 1.00 20.79 C ATOM 2135 NE1 TRP B 85 22.232 8.505 11.249 1.00 19.40 N ATOM 2136 CE2 TRP B 85 22.415 9.342 12.292 1.00 19.96 C ATOM 2137 CE3 TRP B 85 22.641 11.774 12.613 1.00 20.45 C ATOM 2138 CZ2 TRP B 85 22.540 9.087 13.647 1.00 20.21 C ATOM 2139 CZ3 TRP B 85 22.768 11.501 13.975 1.00 22.51 C ATOM 2140 CH2 TRP B 85 22.717 10.185 14.479 1.00 20.65 C ATOM 0 H TRP B 85 24.429 12.932 10.105 1.00 24.21 H new ATOM 0 HA TRP B 85 23.824 11.249 8.070 1.00 24.15 H new ATOM 0 HB2 TRP B 85 21.933 12.503 9.753 1.00 21.59 H new ATOM 0 HB3 TRP B 85 21.575 11.484 8.629 1.00 21.59 H new ATOM 0 HD1 TRP B 85 21.984 8.830 9.237 1.00 19.61 H new ATOM 0 HE1 TRP B 85 22.184 7.649 11.311 1.00 19.40 H new ATOM 0 HE3 TRP B 85 22.669 12.648 12.296 1.00 20.45 H new ATOM 0 HZ2 TRP B 85 22.507 8.221 13.984 1.00 20.21 H new ATOM 0 HZ3 TRP B 85 22.890 12.207 14.568 1.00 22.51 H new ATOM 0 HH2 TRP B 85 22.804 10.048 15.395 1.00 20.65 H new ATOM 2141 N GLN B 86 22.796 13.074 6.575 1.00 29.40 N ATOM 2142 CA GLN B 86 22.342 14.252 5.834 1.00 33.40 C ATOM 2143 C GLN B 86 21.310 14.970 6.702 1.00 33.94 C ATOM 2144 O GLN B 86 20.393 14.335 7.226 1.00 32.93 O ATOM 2145 CB GLN B 86 21.754 13.880 4.474 1.00 37.08 C ATOM 2146 CG GLN B 86 21.220 15.081 3.699 1.00 43.32 C ATOM 2147 CD GLN B 86 21.223 14.886 2.185 1.00 50.81 C ATOM 2148 OE1 GLN B 86 21.613 13.830 1.665 1.00 52.59 O ATOM 2149 NE2 GLN B 86 20.791 15.919 1.467 1.00 52.32 N ATOM 0 H GLN B 86 22.704 12.321 6.171 1.00 29.40 H new ATOM 0 HA GLN B 86 23.096 14.833 5.649 1.00 33.40 H new ATOM 0 HB2 GLN B 86 22.436 13.438 3.944 1.00 37.08 H new ATOM 0 HB3 GLN B 86 21.036 13.241 4.603 1.00 37.08 H new ATOM 0 HG2 GLN B 86 20.314 15.267 3.991 1.00 43.32 H new ATOM 0 HG3 GLN B 86 21.754 15.860 3.918 1.00 43.32 H new ATOM 0 HE21 GLN B 86 20.528 16.637 1.861 1.00 52.32 H new ATOM 0 HE22 GLN B 86 20.775 15.869 0.609 1.00 52.32 H new ATOM 2150 N ALA B 87 21.492 16.280 6.882 1.00 34.63 N ATOM 2151 CA ALA B 87 20.598 17.094 7.709 1.00 35.30 C ATOM 2152 C ALA B 87 19.200 17.081 7.133 1.00 36.15 C ATOM 2153 O ALA B 87 19.023 17.238 5.930 1.00 34.19 O ATOM 2154 CB ALA B 87 21.098 18.529 7.823 1.00 34.87 C ATOM 0 H ALA B 87 22.139 16.722 6.527 1.00 34.63 H new ATOM 0 HA ALA B 87 20.584 16.708 8.599 1.00 35.30 H new ATOM 0 HB1 ALA B 87 20.487 19.042 8.375 1.00 34.87 H new ATOM 0 HB2 ALA B 87 21.980 18.534 8.227 1.00 34.87 H new ATOM 0 HB3 ALA B 87 21.146 18.926 6.939 1.00 34.87 H new ATOM 2155 N PRO B 88 18.196 16.876 7.997 1.00 39.00 N ATOM 2156 CA PRO B 88 16.807 16.940 7.550 1.00 39.59 C ATOM 2157 C PRO B 88 16.477 18.357 7.056 1.00 40.23 C ATOM 2158 O PRO B 88 17.095 19.310 7.525 1.00 41.69 O ATOM 2159 CB PRO B 88 16.020 16.607 8.824 1.00 40.82 C ATOM 2160 CG PRO B 88 16.982 15.870 9.699 1.00 38.11 C ATOM 2161 CD PRO B 88 18.304 16.521 9.424 1.00 36.65 C ATOM 0 HA PRO B 88 16.605 16.342 6.813 1.00 39.59 H new ATOM 0 HB2 PRO B 88 15.699 17.413 9.258 1.00 40.82 H new ATOM 0 HB3 PRO B 88 15.242 16.063 8.623 1.00 40.82 H new ATOM 0 HG2 PRO B 88 16.738 15.945 10.635 1.00 38.11 H new ATOM 0 HG3 PRO B 88 17.002 14.924 9.486 1.00 38.11 H new ATOM 0 HD2 PRO B 88 18.444 17.303 9.981 1.00 36.65 H new ATOM 0 HD3 PRO B 88 19.045 15.918 9.591 1.00 36.65 H new ATOM 2162 N APRO B 89 15.535 18.510 6.104 0.70 42.30 N ATOM 2163 CA APRO B 89 15.336 19.813 5.424 0.70 43.07 C ATOM 2164 C APRO B 89 15.277 21.087 6.300 0.70 43.40 C ATOM 2165 O APRO B 89 15.982 22.065 6.003 0.70 44.89 O ATOM 2166 CB APRO B 89 14.013 19.611 4.671 0.70 44.19 C ATOM 2167 CG APRO B 89 13.969 18.143 4.389 0.70 44.39 C ATOM 2168 CD APRO B 89 14.634 17.468 5.566 0.70 43.21 C ATOM 2169 N BPRO B 89 15.510 18.467 6.120 0.30 40.26 N ATOM 2170 CA BPRO B 89 14.951 19.752 5.709 0.30 39.99 C ATOM 2171 C BPRO B 89 14.255 20.414 6.890 0.30 39.15 C ATOM 2172 O BPRO B 89 13.429 19.789 7.559 0.30 37.38 O ATOM 2173 CB BPRO B 89 13.927 19.371 4.631 0.30 40.62 C ATOM 2174 CG BPRO B 89 13.618 17.932 4.870 0.30 40.88 C ATOM 2175 CD BPRO B 89 14.900 17.345 5.380 0.30 40.43 C ATOM 0 HA APRO B 89 16.116 20.003 4.880 0.70 39.99 H new ATOM 0 HA BPRO B 89 15.620 20.377 5.389 0.30 39.99 H new ATOM 0 HB2APRO B 89 13.254 19.892 5.207 0.70 40.62 H new ATOM 0 HB2BPRO B 89 13.128 19.916 4.700 0.30 40.62 H new ATOM 0 HB3APRO B 89 13.989 20.130 3.852 0.70 40.62 H new ATOM 0 HB3BPRO B 89 14.288 19.508 3.741 0.30 40.62 H new ATOM 0 HG2APRO B 89 13.054 17.837 4.286 0.70 40.88 H new ATOM 0 HG2BPRO B 89 12.902 17.828 5.516 0.30 40.88 H new ATOM 0 HG3APRO B 89 14.433 17.935 3.563 0.70 40.88 H new ATOM 0 HG3BPRO B 89 13.330 17.493 4.054 0.30 40.88 H new ATOM 0 HD2APRO B 89 13.984 17.183 6.227 0.70 40.43 H new ATOM 0 HD2BPRO B 89 14.741 16.580 5.955 0.30 40.43 H new ATOM 0 HD3APRO B 89 15.126 16.678 5.293 0.70 40.43 H new ATOM 0 HD3BPRO B 89 15.469 17.041 4.655 0.30 40.43 H new ATOM 2176 N AGLY B 90 14.453 21.082 7.352 0.70 41.37 N ATOM 2177 CA AGLY B 90 14.179 22.294 8.143 0.70 39.63 C ATOM 2178 C AGLY B 90 15.236 22.745 9.143 0.70 40.63 C ATOM 2179 O AGLY B 90 15.122 23.825 9.728 0.70 42.16 O ATOM 2180 N BGLY B 90 14.611 21.666 7.145 0.30 38.95 N ATOM 2181 CA BGLY B 90 14.109 22.384 8.299 0.30 38.25 C ATOM 2182 C BGLY B 90 15.220 22.753 9.262 0.30 38.99 C ATOM 2183 O BGLY B 90 15.148 23.792 9.923 0.30 39.42 O ATOM 0 H AGLY B 90 14.038 20.381 7.628 0.70 38.95 H new ATOM 0 H BGLY B 90 15.150 22.120 6.652 0.30 38.95 H new ATOM 0 HA2AGLY B 90 14.023 23.025 7.524 0.70 38.25 H new ATOM 0 HA2BGLY B 90 13.655 23.189 8.006 0.30 38.25 H new ATOM 0 HA3AGLY B 90 13.351 22.152 8.628 0.70 38.25 H new ATOM 0 HA3BGLY B 90 13.451 21.838 8.758 0.30 38.25 H new ATOM 2184 N ALA B 91 16.253 21.912 9.349 1.00 38.37 N ATOM 2185 CA ALA B 91 17.336 22.180 10.283 1.00 37.07 C ATOM 2186 C ALA B 91 18.155 23.371 9.815 1.00 39.87 C ATOM 2187 O ALA B 91 18.251 23.638 8.617 1.00 42.27 O ATOM 2188 CB ALA B 91 18.207 20.950 10.458 1.00 36.83 C ATOM 0 H AALA B 91 16.332 21.160 8.940 0.70 38.37 H new ATOM 0 H BALA B 91 16.341 21.194 8.883 0.30 38.37 H new ATOM 0 HA ALA B 91 16.954 22.398 11.147 1.00 37.07 H new ATOM 0 HB1 ALA B 91 18.923 21.146 11.083 1.00 36.83 H new ATOM 0 HB2 ALA B 91 17.670 20.219 10.802 1.00 36.83 H new ATOM 0 HB3 ALA B 91 18.586 20.697 9.602 1.00 36.83 H new ATOM 2189 N ARG B 92 18.720 24.119 10.753 1.00 40.81 N ATOM 2190 CA ARG B 92 19.504 25.290 10.380 1.00 42.12 C ATOM 2191 C ARG B 92 20.961 24.931 10.542 1.00 40.20 C ATOM 2192 O ARG B 92 21.415 24.594 11.645 1.00 38.66 O ATOM 2193 CB ARG B 92 19.144 26.517 11.223 1.00 44.06 C ATOM 2194 CG ARG B 92 19.872 27.784 10.792 1.00 49.97 C ATOM 2195 CD ARG B 92 19.355 29.018 11.519 1.00 56.14 C ATOM 2196 NE ARG B 92 17.893 29.050 11.520 1.00 63.20 N ATOM 2197 CZ ARG B 92 17.140 29.765 10.686 1.00 65.34 C ATOM 2198 NH1 ARG B 92 17.702 30.557 9.780 1.00 67.66 N ATOM 2199 NH2 ARG B 92 15.815 29.700 10.775 1.00 63.56 N ATOM 0 H ARG B 92 18.664 23.971 11.598 1.00 40.81 H new ATOM 0 HA ARG B 92 19.310 25.532 9.461 1.00 42.12 H new ATOM 0 HB2 ARG B 92 18.187 26.668 11.170 1.00 44.06 H new ATOM 0 HB3 ARG B 92 19.351 26.334 12.153 1.00 44.06 H new ATOM 0 HG2 ARG B 92 20.822 27.684 10.963 1.00 49.97 H new ATOM 0 HG3 ARG B 92 19.767 27.906 9.835 1.00 49.97 H new ATOM 0 HD2 ARG B 92 19.683 29.021 12.432 1.00 56.14 H new ATOM 0 HD3 ARG B 92 19.699 29.818 11.091 1.00 56.14 H new ATOM 0 HE ARG B 92 17.487 28.569 12.106 1.00 63.20 H new ATOM 0 HH11 ARG B 92 18.559 30.611 9.728 1.00 67.66 H new ATOM 0 HH12 ARG B 92 17.209 31.016 9.245 1.00 67.66 H new ATOM 0 HH21 ARG B 92 15.448 29.198 11.369 1.00 63.56 H new ATOM 0 HH22 ARG B 92 15.325 30.160 10.239 1.00 63.56 H new ATOM 2200 N SER B 93 21.691 24.992 9.435 1.00 37.69 N ATOM 2201 CA SER B 93 23.100 24.614 9.447 1.00 37.84 C ATOM 2202 C SER B 93 23.972 25.746 9.955 1.00 34.98 C ATOM 2203 O SER B 93 23.780 26.888 9.571 1.00 35.31 O ATOM 2204 CB SER B 93 23.562 24.166 8.056 1.00 35.45 C ATOM 2205 OG SER B 93 23.361 22.776 7.919 1.00 39.04 O ATOM 0 H SER B 93 21.393 25.248 8.670 1.00 37.69 H new ATOM 0 HA SER B 93 23.194 23.865 10.057 1.00 37.84 H new ATOM 0 HB2 SER B 93 23.068 24.643 7.371 1.00 35.45 H new ATOM 0 HB3 SER B 93 24.500 24.381 7.931 1.00 35.45 H new ATOM 0 HG SER B 93 23.268 22.430 8.679 1.00 39.04 H new ATOM 2206 N LEU B 94 24.912 25.411 10.827 1.00 32.89 N ATOM 2207 CA LEU B 94 25.985 26.318 11.194 1.00 34.61 C ATOM 2208 C LEU B 94 27.092 26.185 10.153 1.00 37.30 C ATOM 2209 O LEU B 94 27.191 25.162 9.473 1.00 35.40 O ATOM 2210 CB LEU B 94 26.556 25.945 12.559 1.00 30.96 C ATOM 2211 CG LEU B 94 25.581 26.023 13.725 1.00 33.81 C ATOM 2212 CD1 LEU B 94 26.015 25.065 14.825 1.00 31.52 C ATOM 2213 CD2 LEU B 94 25.404 27.456 14.249 1.00 30.42 C ATOM 0 H LEU B 94 24.945 24.648 11.223 1.00 32.89 H new ATOM 0 HA LEU B 94 25.643 27.225 11.233 1.00 34.61 H new ATOM 0 HB2 LEU B 94 26.904 25.041 12.510 1.00 30.96 H new ATOM 0 HB3 LEU B 94 27.308 26.529 12.747 1.00 30.96 H new ATOM 0 HG LEU B 94 24.707 25.751 13.404 1.00 33.81 H new ATOM 0 HD11 LEU B 94 25.391 25.118 15.566 1.00 31.52 H new ATOM 0 HD12 LEU B 94 26.029 24.159 14.479 1.00 31.52 H new ATOM 0 HD13 LEU B 94 26.903 25.306 15.133 1.00 31.52 H new ATOM 0 HD21 LEU B 94 24.776 27.455 14.988 1.00 30.42 H new ATOM 0 HD22 LEU B 94 26.260 27.798 14.552 1.00 30.42 H new ATOM 0 HD23 LEU B 94 25.064 28.021 13.538 1.00 30.42 H new ATOM 2214 N THR B 95 27.930 27.209 10.044 1.00 39.53 N ATOM 2215 CA THR B 95 29.108 27.163 9.179 1.00 44.11 C ATOM 2216 C THR B 95 30.393 27.091 10.029 1.00 44.13 C ATOM 2217 O THR B 95 30.383 27.527 11.174 1.00 43.98 O ATOM 2218 CB THR B 95 29.125 28.368 8.212 1.00 44.48 C ATOM 2219 OG1 THR B 95 28.820 29.566 8.932 1.00 45.03 O ATOM 2220 CG2 THR B 95 28.079 28.188 7.113 1.00 42.58 C ATOM 0 H THR B 95 27.834 27.951 10.468 1.00 39.53 H new ATOM 0 HA THR B 95 29.068 26.360 8.636 1.00 44.11 H new ATOM 0 HB THR B 95 30.008 28.427 7.814 1.00 44.48 H new ATOM 0 HG1 THR B 95 29.371 29.665 9.558 1.00 45.03 H new ATOM 0 HG21 THR B 95 28.103 28.952 6.515 1.00 42.58 H new ATOM 0 HG22 THR B 95 28.271 27.380 6.612 1.00 42.58 H new ATOM 0 HG23 THR B 95 27.198 28.118 7.513 1.00 42.58 H new ATOM 2221 N PRO B 96 31.492 26.520 9.483 1.00 45.69 N ATOM 2222 CA PRO B 96 32.756 26.405 10.227 1.00 49.77 C ATOM 2223 C PRO B 96 33.383 27.764 10.584 1.00 53.60 C ATOM 2224 O PRO B 96 33.138 28.755 9.894 1.00 52.74 O ATOM 2225 CB PRO B 96 33.663 25.643 9.253 1.00 50.57 C ATOM 2226 CG PRO B 96 32.724 24.883 8.384 1.00 46.08 C ATOM 2227 CD PRO B 96 31.581 25.838 8.180 1.00 46.46 C ATOM 0 HA PRO B 96 32.624 25.968 11.083 1.00 49.77 H new ATOM 0 HB2 PRO B 96 34.212 26.251 8.733 1.00 50.57 H new ATOM 0 HB3 PRO B 96 34.267 25.048 9.725 1.00 50.57 H new ATOM 0 HG2 PRO B 96 33.137 24.636 7.542 1.00 46.08 H new ATOM 0 HG3 PRO B 96 32.431 24.061 8.808 1.00 46.08 H new ATOM 0 HD2 PRO B 96 31.757 26.462 7.458 1.00 46.46 H new ATOM 0 HD3 PRO B 96 30.758 25.374 7.959 1.00 46.46 H new ATOM 2228 N CYS B 97 34.177 27.794 11.656 1.00 57.15 N ATOM 2229 CA CYS B 97 34.746 29.041 12.210 1.00 65.02 C ATOM 2230 C CYS B 97 35.665 29.780 11.235 1.00 64.29 C ATOM 2231 O CYS B 97 36.581 29.183 10.672 1.00 65.59 O ATOM 2232 CB CYS B 97 35.517 28.730 13.490 1.00 64.62 C ATOM 2233 SG CYS B 97 36.635 27.328 13.268 1.00 78.10 S ATOM 0 H CYS B 97 34.406 27.088 12.090 1.00 57.15 H new ATOM 0 HA CYS B 97 33.996 29.628 12.390 1.00 65.02 H new ATOM 0 HB2 CYS B 97 36.025 29.511 13.760 1.00 64.62 H new ATOM 0 HB3 CYS B 97 34.892 28.536 14.206 1.00 64.62 H new ATOM 0 HG CYS B 97 37.147 27.392 12.185 1.00 78.10 H new ATOM 2234 N SER B 102 39.636 32.721 20.334 1.00 59.77 N ATOM 2235 CA SER B 102 39.911 31.424 20.954 1.00 59.03 C ATOM 2236 C SER B 102 39.169 31.281 22.296 1.00 55.12 C ATOM 2237 O SER B 102 39.321 30.277 23.020 1.00 49.06 O ATOM 2238 CB SER B 102 41.418 31.203 21.115 1.00 65.66 C ATOM 2239 OG SER B 102 41.723 29.816 21.182 1.00 74.13 O ATOM 0 HA SER B 102 39.576 30.731 20.364 1.00 59.03 H new ATOM 0 HB2 SER B 102 41.889 31.606 20.369 1.00 65.66 H new ATOM 0 HB3 SER B 102 41.729 31.646 21.920 1.00 65.66 H new ATOM 0 HG SER B 102 42.552 29.715 21.269 1.00 74.13 H new ATOM 2240 N ASP B 103 38.384 32.307 22.626 1.00 49.63 N ATOM 2241 CA ASP B 103 37.329 32.169 23.625 1.00 51.15 C ATOM 2242 C ASP B 103 36.114 31.561 22.916 1.00 49.32 C ATOM 2243 O ASP B 103 35.544 32.180 22.011 1.00 46.39 O ATOM 2244 CB ASP B 103 36.975 33.514 24.285 1.00 50.02 C ATOM 2245 CG ASP B 103 37.607 33.686 25.684 1.00 57.09 C ATOM 2246 OD1 ASP B 103 38.427 32.836 26.117 1.00 57.00 O ATOM 2247 OD2 ASP B 103 37.273 34.684 26.364 1.00 59.98 O ATOM 0 H ASP B 103 38.448 33.092 22.281 1.00 49.63 H new ATOM 0 HA ASP B 103 37.630 31.595 24.347 1.00 51.15 H new ATOM 0 HB2 ASP B 103 37.271 34.238 23.711 1.00 50.02 H new ATOM 0 HB3 ASP B 103 36.011 33.588 24.360 1.00 50.02 H new ATOM 2248 N LEU B 104 35.751 30.343 23.325 1.00 46.67 N ATOM 2249 CA LEU B 104 34.639 29.582 22.731 1.00 45.12 C ATOM 2250 C LEU B 104 33.447 29.475 23.679 1.00 44.23 C ATOM 2251 O LEU B 104 33.542 29.847 24.837 1.00 48.87 O ATOM 2252 CB LEU B 104 35.109 28.180 22.358 1.00 42.02 C ATOM 2253 CG LEU B 104 36.429 28.125 21.590 1.00 43.27 C ATOM 2254 CD1 LEU B 104 36.953 26.701 21.526 1.00 41.51 C ATOM 2255 CD2 LEU B 104 36.288 28.726 20.200 1.00 44.18 C ATOM 0 H LEU B 104 36.148 29.927 23.965 1.00 46.67 H new ATOM 0 HA LEU B 104 34.352 30.062 21.939 1.00 45.12 H new ATOM 0 HB2 LEU B 104 35.201 27.657 23.170 1.00 42.02 H new ATOM 0 HB3 LEU B 104 34.421 27.754 21.823 1.00 42.02 H new ATOM 0 HG LEU B 104 37.078 28.662 22.071 1.00 43.27 H new ATOM 0 HD11 LEU B 104 37.790 26.686 21.036 1.00 41.51 H new ATOM 0 HD12 LEU B 104 37.100 26.369 22.426 1.00 41.51 H new ATOM 0 HD13 LEU B 104 36.305 26.137 21.076 1.00 41.51 H new ATOM 0 HD21 LEU B 104 37.140 28.677 19.738 1.00 44.18 H new ATOM 0 HD22 LEU B 104 35.620 28.231 19.700 1.00 44.18 H new ATOM 0 HD23 LEU B 104 36.014 29.654 20.275 1.00 44.18 H new ATOM 2256 N TYR B 105 32.326 28.970 23.173 1.00 41.44 N ATOM 2257 CA TYR B 105 31.085 28.901 23.929 1.00 38.69 C ATOM 2258 C TYR B 105 30.449 27.555 23.691 1.00 36.15 C ATOM 2259 O TYR B 105 30.203 27.191 22.551 1.00 33.18 O ATOM 2260 CB TYR B 105 30.138 30.035 23.524 1.00 40.42 C ATOM 2261 CG TYR B 105 30.730 31.381 23.843 1.00 42.85 C ATOM 2262 CD1 TYR B 105 30.571 31.950 25.109 1.00 44.23 C ATOM 2263 CD2 TYR B 105 31.500 32.065 22.901 1.00 44.25 C ATOM 2264 CE1 TYR B 105 31.149 33.172 25.420 1.00 47.97 C ATOM 2265 CE2 TYR B 105 32.086 33.289 23.202 1.00 46.64 C ATOM 2266 CZ TYR B 105 31.905 33.839 24.458 1.00 48.20 C ATOM 2267 OH TYR B 105 32.475 35.057 24.757 1.00 53.75 O ATOM 0 H TYR B 105 32.266 28.656 22.375 1.00 41.44 H new ATOM 0 HA TYR B 105 31.273 29.007 24.875 1.00 38.69 H new ATOM 0 HB2 TYR B 105 29.950 29.979 22.574 1.00 40.42 H new ATOM 0 HB3 TYR B 105 29.292 29.933 23.987 1.00 40.42 H new ATOM 0 HD1 TYR B 105 30.070 31.503 25.753 1.00 44.23 H new ATOM 0 HD2 TYR B 105 31.623 31.695 22.057 1.00 44.25 H new ATOM 0 HE1 TYR B 105 31.033 33.544 26.265 1.00 47.97 H new ATOM 0 HE2 TYR B 105 32.596 33.734 22.564 1.00 46.64 H new ATOM 0 HH TYR B 105 32.899 35.340 24.089 1.00 53.75 H new ATOM 2268 N LEU B 106 30.240 26.812 24.773 1.00 32.86 N ATOM 2269 CA LEU B 106 29.641 25.498 24.716 1.00 33.57 C ATOM 2270 C LEU B 106 28.142 25.662 24.943 1.00 31.91 C ATOM 2271 O LEU B 106 27.729 26.405 25.838 1.00 32.92 O ATOM 2272 CB LEU B 106 30.272 24.561 25.767 1.00 33.96 C ATOM 2273 CG LEU B 106 29.724 23.135 25.881 1.00 34.56 C ATOM 2274 CD1 LEU B 106 29.804 22.394 24.552 1.00 38.71 C ATOM 2275 CD2 LEU B 106 30.439 22.345 26.956 1.00 37.10 C ATOM 0 H LEU B 106 30.447 27.066 25.568 1.00 32.86 H new ATOM 0 HA LEU B 106 29.800 25.090 23.850 1.00 33.57 H new ATOM 0 HB2 LEU B 106 31.222 24.500 25.579 1.00 33.96 H new ATOM 0 HB3 LEU B 106 30.181 24.984 26.635 1.00 33.96 H new ATOM 0 HG LEU B 106 28.790 23.217 26.131 1.00 34.56 H new ATOM 0 HD11 LEU B 106 29.450 21.497 24.659 1.00 38.71 H new ATOM 0 HD12 LEU B 106 29.284 22.869 23.885 1.00 38.71 H new ATOM 0 HD13 LEU B 106 30.729 22.344 24.265 1.00 38.71 H new ATOM 0 HD21 LEU B 106 30.068 21.450 27.001 1.00 37.10 H new ATOM 0 HD22 LEU B 106 31.384 22.293 26.745 1.00 37.10 H new ATOM 0 HD23 LEU B 106 30.324 22.786 27.812 1.00 37.10 H new ATOM 2276 N VAL B 107 27.336 25.010 24.109 1.00 27.41 N ATOM 2277 CA VAL B 107 25.882 25.039 24.279 1.00 26.66 C ATOM 2278 C VAL B 107 25.456 23.687 24.855 1.00 26.35 C ATOM 2279 O VAL B 107 25.688 22.634 24.236 1.00 27.70 O ATOM 2280 CB VAL B 107 25.150 25.388 22.976 1.00 25.77 C ATOM 2281 CG1 VAL B 107 23.637 25.360 23.173 1.00 25.57 C ATOM 2282 CG2 VAL B 107 25.596 26.756 22.486 1.00 26.66 C ATOM 0 H VAL B 107 27.609 24.545 23.439 1.00 27.41 H new ATOM 0 HA VAL B 107 25.633 25.746 24.895 1.00 26.66 H new ATOM 0 HB VAL B 107 25.375 24.722 22.308 1.00 25.77 H new ATOM 0 HG11 VAL B 107 23.198 25.583 22.338 1.00 25.57 H new ATOM 0 HG12 VAL B 107 23.364 24.473 23.455 1.00 25.57 H new ATOM 0 HG13 VAL B 107 23.387 26.006 23.852 1.00 25.57 H new ATOM 0 HG21 VAL B 107 25.131 26.972 21.663 1.00 26.66 H new ATOM 0 HG22 VAL B 107 25.390 27.424 23.158 1.00 26.66 H new ATOM 0 HG23 VAL B 107 26.552 26.746 22.324 1.00 26.66 H new ATOM 2283 N THR B 108 24.881 23.711 26.055 1.00 24.33 N ATOM 2284 CA THR B 108 24.571 22.465 26.764 1.00 26.61 C ATOM 2285 C THR B 108 23.147 21.997 26.445 1.00 26.49 C ATOM 2286 O THR B 108 22.341 22.735 25.859 1.00 25.84 O ATOM 2287 CB THR B 108 24.701 22.602 28.295 1.00 26.16 C ATOM 2288 OG1 THR B 108 23.634 23.438 28.758 1.00 27.56 O ATOM 2289 CG2 THR B 108 26.069 23.192 28.702 1.00 23.92 C ATOM 0 H THR B 108 24.663 24.429 26.475 1.00 24.33 H new ATOM 0 HA THR B 108 25.221 21.815 26.455 1.00 26.61 H new ATOM 0 HB THR B 108 24.644 21.723 28.702 1.00 26.16 H new ATOM 0 HG1 THR B 108 23.687 23.524 29.592 1.00 27.56 H new ATOM 0 HG21 THR B 108 26.116 23.264 29.668 1.00 23.92 H new ATOM 0 HG22 THR B 108 26.779 22.611 28.386 1.00 23.92 H new ATOM 0 HG23 THR B 108 26.172 24.072 28.307 1.00 23.92 H new ATOM 2290 N ARG B 109 22.862 20.763 26.833 1.00 27.64 N ATOM 2291 CA ARG B 109 21.528 20.190 26.764 1.00 29.60 C ATOM 2292 C ARG B 109 20.421 21.114 27.333 1.00 31.06 C ATOM 2293 O ARG B 109 19.327 21.209 26.780 1.00 32.56 O ATOM 2294 CB ARG B 109 21.574 18.851 27.496 1.00 28.65 C ATOM 2295 CG ARG B 109 20.251 18.155 27.642 1.00 27.36 C ATOM 2296 CD ARG B 109 19.893 17.419 26.372 1.00 26.91 C ATOM 2297 NE ARG B 109 18.778 16.520 26.640 1.00 23.75 N ATOM 2298 CZ ARG B 109 18.870 15.199 26.666 1.00 24.23 C ATOM 2299 NH1 ARG B 109 20.034 14.595 26.427 1.00 21.81 N ATOM 2300 NH2 ARG B 109 17.776 14.488 26.924 1.00 24.12 N ATOM 0 H ARG B 109 23.452 20.224 27.151 1.00 27.64 H new ATOM 0 HA ARG B 109 21.284 20.072 25.833 1.00 29.60 H new ATOM 0 HB2 ARG B 109 22.183 18.262 27.024 1.00 28.65 H new ATOM 0 HB3 ARG B 109 21.947 18.995 28.380 1.00 28.65 H new ATOM 0 HG2 ARG B 109 20.289 17.531 28.384 1.00 27.36 H new ATOM 0 HG3 ARG B 109 19.560 18.803 27.851 1.00 27.36 H new ATOM 0 HD2 ARG B 109 19.654 18.050 25.675 1.00 26.91 H new ATOM 0 HD3 ARG B 109 20.658 16.917 26.049 1.00 26.91 H new ATOM 0 HE ARG B 109 18.008 16.871 26.792 1.00 23.75 H new ATOM 0 HH11 ARG B 109 20.734 15.064 26.254 1.00 21.81 H new ATOM 0 HH12 ARG B 109 20.085 13.737 26.446 1.00 21.81 H new ATOM 0 HH21 ARG B 109 17.028 14.887 27.070 1.00 24.12 H new ATOM 0 HH22 ARG B 109 17.816 13.629 26.945 1.00 24.12 H new ATOM 2301 N HIS B 110 20.708 21.832 28.407 1.00 30.65 N ATOM 2302 CA HIS B 110 19.700 22.746 28.929 1.00 33.42 C ATOM 2303 C HIS B 110 19.713 24.104 28.304 1.00 33.36 C ATOM 2304 O HIS B 110 19.045 24.988 28.789 1.00 32.91 O ATOM 2305 CB HIS B 110 19.780 22.807 30.445 1.00 36.22 C ATOM 2306 CG HIS B 110 19.700 21.445 31.074 1.00 40.72 C ATOM 2307 ND1 HIS B 110 18.592 20.670 30.976 1.00 41.40 N ATOM 2308 CD2 HIS B 110 20.655 20.689 31.747 1.00 43.43 C ATOM 2309 CE1 HIS B 110 18.814 19.496 31.588 1.00 43.94 C ATOM 2310 NE2 HIS B 110 20.079 19.504 32.059 1.00 45.52 N ATOM 0 H HIS B 110 21.452 21.810 28.838 1.00 30.65 H new ATOM 0 HA HIS B 110 18.839 22.378 28.676 1.00 33.42 H new ATOM 0 HB2 HIS B 110 20.611 23.234 30.706 1.00 36.22 H new ATOM 0 HB3 HIS B 110 19.059 23.360 30.783 1.00 36.22 H new ATOM 0 HD2 HIS B 110 21.526 20.949 31.945 1.00 43.43 H new ATOM 0 HE1 HIS B 110 18.204 18.800 31.673 1.00 43.94 H new ATOM 0 HE2 HIS B 110 20.457 18.861 32.487 1.00 45.52 H new ATOM 2311 N ALA B 111 20.458 24.264 27.202 1.00 30.94 N ATOM 2312 CA ALA B 111 20.519 25.511 26.445 1.00 29.71 C ATOM 2313 C ALA B 111 21.203 26.639 27.218 1.00 30.08 C ATOM 2314 O ALA B 111 20.928 27.804 26.998 1.00 28.72 O ATOM 2315 CB ALA B 111 19.140 25.929 25.962 1.00 28.23 C ATOM 0 H ALA B 111 20.948 23.638 26.873 1.00 30.94 H new ATOM 0 HA ALA B 111 21.072 25.336 25.667 1.00 29.71 H new ATOM 0 HB1 ALA B 111 19.209 26.758 25.463 1.00 28.23 H new ATOM 0 HB2 ALA B 111 18.774 25.237 25.389 1.00 28.23 H new ATOM 0 HB3 ALA B 111 18.555 26.059 26.725 1.00 28.23 H new ATOM 2316 N ASP B 112 22.100 26.283 28.124 1.00 31.47 N ATOM 2317 CA ASP B 112 22.998 27.267 28.686 1.00 35.03 C ATOM 2318 C ASP B 112 24.208 27.400 27.767 1.00 36.23 C ATOM 2319 O ASP B 112 24.631 26.432 27.115 1.00 33.32 O ATOM 2320 CB ASP B 112 23.441 26.873 30.088 1.00 36.55 C ATOM 2321 CG ASP B 112 22.275 26.751 31.047 1.00 39.56 C ATOM 2322 OD1 ASP B 112 21.595 27.767 31.291 1.00 42.46 O ATOM 2323 OD2 ASP B 112 22.048 25.640 31.572 1.00 41.76 O ATOM 0 H ASP B 112 22.203 25.483 28.423 1.00 31.47 H new ATOM 0 HA ASP B 112 22.536 28.117 28.756 1.00 35.03 H new ATOM 0 HB2 ASP B 112 23.915 26.028 30.049 1.00 36.55 H new ATOM 0 HB3 ASP B 112 24.066 27.534 30.425 1.00 36.55 H new ATOM 2324 N VAL B 113 24.739 28.612 27.717 1.00 34.03 N ATOM 2325 CA VAL B 113 25.901 28.934 26.921 1.00 35.99 C ATOM 2326 C VAL B 113 27.026 29.183 27.898 1.00 36.81 C ATOM 2327 O VAL B 113 26.937 30.097 28.714 1.00 37.12 O ATOM 2328 CB VAL B 113 25.649 30.211 26.111 1.00 35.36 C ATOM 2329 CG1 VAL B 113 26.744 30.417 25.067 1.00 36.67 C ATOM 2330 CG2 VAL B 113 24.291 30.133 25.454 1.00 37.96 C ATOM 0 H VAL B 113 24.424 29.282 28.155 1.00 34.03 H new ATOM 0 HA VAL B 113 26.108 28.217 26.302 1.00 35.99 H new ATOM 0 HB VAL B 113 25.667 30.973 26.711 1.00 35.36 H new ATOM 0 HG11 VAL B 113 26.566 31.229 24.567 1.00 36.67 H new ATOM 0 HG12 VAL B 113 27.604 30.493 25.510 1.00 36.67 H new ATOM 0 HG13 VAL B 113 26.759 29.660 24.460 1.00 36.67 H new ATOM 0 HG21 VAL B 113 24.132 30.941 24.942 1.00 37.96 H new ATOM 0 HG22 VAL B 113 24.261 29.365 24.863 1.00 37.96 H new ATOM 0 HG23 VAL B 113 23.606 30.043 26.135 1.00 37.96 H new ATOM 2331 N ILE B 114 28.062 28.355 27.865 1.00 36.55 N ATOM 2332 CA ILE B 114 29.134 28.525 28.831 1.00 38.49 C ATOM 2333 C ILE B 114 30.485 28.743 28.152 1.00 39.07 C ATOM 2334 O ILE B 114 30.794 28.068 27.172 1.00 36.21 O ATOM 2335 CB ILE B 114 29.178 27.416 29.915 1.00 40.90 C ATOM 2336 CG1 ILE B 114 29.662 26.079 29.359 1.00 41.78 C ATOM 2337 CG2 ILE B 114 27.805 27.253 30.583 1.00 42.07 C ATOM 2338 CD1 ILE B 114 29.841 25.031 30.441 1.00 41.90 C ATOM 0 H ILE B 114 28.162 27.707 27.309 1.00 36.55 H new ATOM 0 HA ILE B 114 28.927 29.339 29.316 1.00 38.49 H new ATOM 0 HB ILE B 114 29.822 27.700 30.583 1.00 40.90 H new ATOM 0 HG12 ILE B 114 29.026 25.756 28.702 1.00 41.78 H new ATOM 0 HG13 ILE B 114 30.505 26.210 28.897 1.00 41.78 H new ATOM 0 HG21 ILE B 114 27.853 26.556 31.256 1.00 42.07 H new ATOM 0 HG22 ILE B 114 27.547 28.089 31.001 1.00 42.07 H new ATOM 0 HG23 ILE B 114 27.146 27.010 29.914 1.00 42.07 H new ATOM 0 HD11 ILE B 114 30.148 24.202 30.041 1.00 41.90 H new ATOM 0 HD12 ILE B 114 30.496 25.340 31.086 1.00 41.90 H new ATOM 0 HD13 ILE B 114 28.994 24.879 30.888 1.00 41.90 H new ATOM 2339 N PRO B 115 31.272 29.715 28.668 1.00 36.81 N ATOM 2340 CA PRO B 115 32.536 30.101 28.047 1.00 35.56 C ATOM 2341 C PRO B 115 33.588 29.009 28.168 1.00 33.85 C ATOM 2342 O PRO B 115 33.762 28.428 29.233 1.00 34.39 O ATOM 2343 CB PRO B 115 32.949 31.356 28.834 1.00 35.95 C ATOM 2344 CG PRO B 115 32.213 31.270 30.136 1.00 36.80 C ATOM 2345 CD PRO B 115 30.913 30.606 29.791 1.00 36.69 C ATOM 0 HA PRO B 115 32.447 30.257 27.094 1.00 35.56 H new ATOM 0 HB2 PRO B 115 33.908 31.380 28.976 1.00 35.95 H new ATOM 0 HB3 PRO B 115 32.713 32.164 28.352 1.00 35.95 H new ATOM 0 HG2 PRO B 115 32.711 30.754 30.789 1.00 36.80 H new ATOM 0 HG3 PRO B 115 32.069 32.149 30.519 1.00 36.80 H new ATOM 0 HD2 PRO B 115 30.555 30.108 30.543 1.00 36.69 H new ATOM 0 HD3 PRO B 115 30.238 31.253 29.533 1.00 36.69 H new ATOM 2346 N VAL B 116 34.278 28.741 27.068 1.00 31.82 N ATOM 2347 CA VAL B 116 35.349 27.755 27.037 1.00 33.07 C ATOM 2348 C VAL B 116 36.599 28.384 26.411 1.00 32.15 C ATOM 2349 O VAL B 116 36.507 29.172 25.462 1.00 34.54 O ATOM 2350 CB VAL B 116 34.905 26.486 26.254 1.00 33.51 C ATOM 2351 CG1 VAL B 116 36.091 25.706 25.699 1.00 33.02 C ATOM 2352 CG2 VAL B 116 34.031 25.597 27.135 1.00 33.21 C ATOM 0 H VAL B 116 34.137 29.128 26.313 1.00 31.82 H new ATOM 0 HA VAL B 116 35.558 27.478 27.943 1.00 33.07 H new ATOM 0 HB VAL B 116 34.383 26.782 25.492 1.00 33.51 H new ATOM 0 HG11 VAL B 116 35.770 24.926 25.220 1.00 33.02 H new ATOM 0 HG12 VAL B 116 36.596 26.271 25.094 1.00 33.02 H new ATOM 0 HG13 VAL B 116 36.663 25.424 26.430 1.00 33.02 H new ATOM 0 HG21 VAL B 116 33.762 24.811 26.635 1.00 33.21 H new ATOM 0 HG22 VAL B 116 34.533 25.325 27.919 1.00 33.21 H new ATOM 0 HG23 VAL B 116 33.242 26.090 27.411 1.00 33.21 H new ATOM 2353 N ARG B 117 37.757 28.032 26.952 1.00 30.47 N ATOM 2354 CA ARG B 117 39.029 28.507 26.431 1.00 31.52 C ATOM 2355 C ARG B 117 39.736 27.363 25.718 1.00 32.12 C ATOM 2356 O ARG B 117 40.101 26.357 26.347 1.00 30.69 O ATOM 2357 CB ARG B 117 39.902 29.047 27.577 1.00 29.93 C ATOM 2358 CG ARG B 117 41.301 29.457 27.163 1.00 31.33 C ATOM 2359 CD ARG B 117 41.341 30.753 26.337 1.00 30.01 C ATOM 2360 NE ARG B 117 40.841 31.919 27.078 1.00 30.31 N ATOM 2361 CZ ARG B 117 41.578 32.716 27.867 1.00 31.61 C ATOM 2362 NH1 ARG B 117 42.889 32.506 28.049 1.00 28.06 N ATOM 2363 NH2 ARG B 117 40.992 33.742 28.473 1.00 28.66 N ATOM 0 H ARG B 117 37.827 27.510 27.632 1.00 30.47 H new ATOM 0 HA ARG B 117 38.873 29.228 25.801 1.00 31.52 H new ATOM 0 HB2 ARG B 117 39.457 29.812 27.974 1.00 29.93 H new ATOM 0 HB3 ARG B 117 39.967 28.368 28.266 1.00 29.93 H new ATOM 0 HG2 ARG B 117 41.845 29.572 27.958 1.00 31.33 H new ATOM 0 HG3 ARG B 117 41.701 28.740 26.646 1.00 31.33 H new ATOM 0 HD2 ARG B 117 42.253 30.922 26.054 1.00 30.01 H new ATOM 0 HD3 ARG B 117 40.811 30.635 25.533 1.00 30.01 H new ATOM 0 HE ARG B 117 40.005 32.107 26.999 1.00 30.31 H new ATOM 0 HH11 ARG B 117 43.278 31.847 27.655 1.00 28.06 H new ATOM 0 HH12 ARG B 117 43.342 33.030 28.559 1.00 28.06 H new ATOM 0 HH21 ARG B 117 40.152 33.887 28.357 1.00 28.66 H new ATOM 0 HH22 ARG B 117 41.452 34.261 28.982 1.00 28.66 H new ATOM 2364 N ARG B 118 39.945 27.525 24.415 1.00 34.94 N ATOM 2365 CA ARG B 118 40.616 26.488 23.629 1.00 40.28 C ATOM 2366 C ARG B 118 42.042 26.265 24.106 1.00 41.96 C ATOM 2367 O ARG B 118 42.810 27.220 24.219 1.00 45.47 O ATOM 2368 CB ARG B 118 40.606 26.833 22.147 1.00 42.05 C ATOM 2369 CG ARG B 118 41.113 25.689 21.300 1.00 44.79 C ATOM 2370 CD ARG B 118 40.714 25.848 19.852 1.00 45.85 C ATOM 2371 NE ARG B 118 40.769 24.556 19.170 1.00 44.62 N ATOM 2372 CZ ARG B 118 40.426 24.374 17.903 1.00 43.71 C ATOM 2373 NH1 ARG B 118 40.014 25.409 17.176 1.00 41.52 N ATOM 2374 NH2 ARG B 118 40.495 23.157 17.364 1.00 44.19 N ATOM 0 H ARG B 118 39.709 28.221 23.968 1.00 34.94 H new ATOM 0 HA ARG B 118 40.121 25.664 23.758 1.00 40.28 H new ATOM 0 HB2 ARG B 118 39.704 27.062 21.874 1.00 42.05 H new ATOM 0 HB3 ARG B 118 41.156 27.617 21.994 1.00 42.05 H new ATOM 0 HG2 ARG B 118 42.080 25.640 21.366 1.00 44.79 H new ATOM 0 HG3 ARG B 118 40.763 24.852 21.643 1.00 44.79 H new ATOM 0 HD2 ARG B 118 39.818 26.214 19.795 1.00 45.85 H new ATOM 0 HD3 ARG B 118 41.306 26.479 19.413 1.00 45.85 H new ATOM 0 HE ARG B 118 41.040 23.874 19.618 1.00 44.62 H new ATOM 0 HH11 ARG B 118 39.971 26.192 17.529 1.00 41.52 H new ATOM 0 HH12 ARG B 118 39.791 25.295 16.353 1.00 41.52 H new ATOM 0 HH21 ARG B 118 40.762 22.491 17.838 1.00 44.19 H new ATOM 0 HH22 ARG B 118 40.273 23.038 16.542 1.00 44.19 H new ATOM 2375 N ARG B 119 42.376 25.009 24.398 1.00 45.14 N ATOM 2376 CA ARG B 119 43.703 24.642 24.897 1.00 48.86 C ATOM 2377 C ARG B 119 44.351 23.575 24.012 1.00 53.60 C ATOM 2378 O ARG B 119 44.748 22.495 24.477 1.00 58.18 O ATOM 2379 CB ARG B 119 43.636 24.173 26.352 1.00 50.21 C ATOM 2380 CG ARG B 119 43.178 25.236 27.332 1.00 54.25 C ATOM 2381 CD ARG B 119 43.576 24.882 28.752 1.00 60.74 C ATOM 2382 NE ARG B 119 44.772 25.617 29.152 1.00 67.30 N ATOM 2383 CZ ARG B 119 46.013 25.147 29.075 1.00 71.78 C ATOM 2384 NH1 ARG B 119 46.237 23.921 28.618 1.00 73.18 N ATOM 2385 NH2 ARG B 119 47.036 25.905 29.462 1.00 73.69 N ATOM 0 H ARG B 119 41.839 24.343 24.312 1.00 45.14 H new ATOM 0 HA ARG B 119 44.258 25.437 24.863 1.00 48.86 H new ATOM 0 HB2 ARG B 119 43.033 23.415 26.409 1.00 50.21 H new ATOM 0 HB3 ARG B 119 44.514 23.858 26.620 1.00 50.21 H new ATOM 0 HG2 ARG B 119 43.565 26.092 27.089 1.00 54.25 H new ATOM 0 HG3 ARG B 119 42.215 25.335 27.279 1.00 54.25 H new ATOM 0 HD2 ARG B 119 42.847 25.088 29.358 1.00 60.74 H new ATOM 0 HD3 ARG B 119 43.740 23.928 28.819 1.00 60.74 H new ATOM 0 HE ARG B 119 44.666 26.413 29.460 1.00 67.30 H new ATOM 0 HH11 ARG B 119 45.578 23.427 28.370 1.00 73.18 H new ATOM 0 HH12 ARG B 119 47.041 23.620 28.570 1.00 73.18 H new ATOM 0 HH21 ARG B 119 46.894 26.698 29.762 1.00 73.69 H new ATOM 0 HH22 ARG B 119 47.839 25.601 29.412 1.00 73.69 H new ATOM 2386 N GLY B 120 44.455 23.888 22.727 1.00 53.33 N ATOM 2387 CA GLY B 120 44.992 22.950 21.758 1.00 55.76 C ATOM 2388 C GLY B 120 43.928 22.474 20.796 1.00 57.69 C ATOM 2389 O GLY B 120 42.821 23.028 20.744 1.00 57.88 O ATOM 0 H GLY B 120 44.218 24.645 22.396 1.00 53.33 H new ATOM 0 HA2 GLY B 120 45.712 23.372 21.263 1.00 55.76 H new ATOM 0 HA3 GLY B 120 45.375 22.188 22.221 1.00 55.76 H new ATOM 2390 N ASP B 121 44.262 21.424 20.053 1.00 58.37 N ATOM 2391 CA ASP B 121 43.431 20.955 18.950 1.00 57.88 C ATOM 2392 C ASP B 121 42.047 20.456 19.376 1.00 54.38 C ATOM 2393 O ASP B 121 41.034 20.924 18.858 1.00 52.75 O ATOM 2394 CB ASP B 121 44.178 19.900 18.127 1.00 61.90 C ATOM 2395 CG ASP B 121 45.376 20.483 17.391 1.00 69.37 C ATOM 2396 OD1 ASP B 121 45.192 21.471 16.641 1.00 70.56 O ATOM 2397 OD2 ASP B 121 46.502 19.959 17.563 1.00 72.53 O ATOM 0 H ASP B 121 44.978 20.963 20.174 1.00 58.37 H new ATOM 0 HA ASP B 121 43.259 21.730 18.393 1.00 57.88 H new ATOM 0 HB2 ASP B 121 44.477 19.187 18.713 1.00 61.90 H new ATOM 0 HB3 ASP B 121 43.569 19.503 17.485 1.00 61.90 H new ATOM 2398 N SER B 122 42.004 19.527 20.322 1.00 47.97 N ATOM 2399 CA SER B 122 40.746 18.884 20.649 1.00 48.07 C ATOM 2400 C SER B 122 40.378 18.979 22.143 1.00 46.19 C ATOM 2401 O SER B 122 39.605 18.166 22.657 1.00 42.70 O ATOM 2402 CB SER B 122 40.777 17.435 20.157 1.00 46.98 C ATOM 2403 OG SER B 122 41.679 16.656 20.924 1.00 52.28 O ATOM 0 H SER B 122 42.682 19.259 20.779 1.00 47.97 H new ATOM 0 HA SER B 122 40.040 19.365 20.190 1.00 48.07 H new ATOM 0 HB2 SER B 122 39.887 17.053 20.211 1.00 46.98 H new ATOM 0 HB3 SER B 122 41.039 17.413 19.223 1.00 46.98 H new ATOM 0 HG SER B 122 41.680 15.866 20.639 1.00 52.28 H new ATOM 2404 N ARG B 123 40.921 19.987 22.830 1.00 46.07 N ATOM 2405 CA ARG B 123 40.624 20.200 24.256 1.00 44.95 C ATOM 2406 C ARG B 123 40.426 21.667 24.603 1.00 42.40 C ATOM 2407 O ARG B 123 41.085 22.543 24.043 1.00 43.42 O ATOM 2408 CB ARG B 123 41.691 19.560 25.143 1.00 49.13 C ATOM 2409 CG ARG B 123 41.279 19.440 26.598 1.00 52.98 C ATOM 2410 CD ARG B 123 42.000 18.303 27.291 1.00 57.61 C ATOM 2411 NE ARG B 123 41.694 17.013 26.670 1.00 62.15 N ATOM 2412 CZ ARG B 123 41.816 15.835 27.283 1.00 62.85 C ATOM 2413 NH1 ARG B 123 42.226 15.781 28.541 1.00 61.66 N ATOM 2414 NH2 ARG B 123 41.518 14.707 26.642 1.00 65.06 N ATOM 0 H ARG B 123 41.465 20.561 22.491 1.00 46.07 H new ATOM 0 HA ARG B 123 39.778 19.759 24.432 1.00 44.95 H new ATOM 0 HB2 ARG B 123 41.899 18.677 24.800 1.00 49.13 H new ATOM 0 HB3 ARG B 123 42.505 20.085 25.087 1.00 49.13 H new ATOM 0 HG2 ARG B 123 41.469 20.272 27.058 1.00 52.98 H new ATOM 0 HG3 ARG B 123 40.321 19.298 26.653 1.00 52.98 H new ATOM 0 HD2 ARG B 123 42.957 18.459 27.260 1.00 57.61 H new ATOM 0 HD3 ARG B 123 41.746 18.281 28.227 1.00 57.61 H new ATOM 0 HE ARG B 123 41.417 17.015 25.856 1.00 62.15 H new ATOM 0 HH11 ARG B 123 42.414 16.506 28.964 1.00 61.66 H new ATOM 0 HH12 ARG B 123 42.304 15.021 28.935 1.00 61.66 H new ATOM 0 HH21 ARG B 123 41.245 14.735 25.827 1.00 65.06 H new ATOM 0 HH22 ARG B 123 41.599 13.950 27.043 1.00 65.06 H new ATOM 2415 N GLY B 124 39.479 21.929 25.498 1.00 42.01 N ATOM 2416 CA GLY B 124 39.190 23.286 25.984 1.00 41.78 C ATOM 2417 C GLY B 124 38.978 23.247 27.486 1.00 42.00 C ATOM 2418 O GLY B 124 38.635 22.198 28.030 1.00 47.52 O ATOM 0 H GLY B 124 38.979 21.322 25.846 1.00 42.01 H new ATOM 0 HA2 GLY B 124 39.924 23.882 25.766 1.00 41.78 H new ATOM 0 HA3 GLY B 124 38.400 23.637 25.544 1.00 41.78 H new ATOM 2419 N SER B 125 39.202 24.357 28.177 1.00 37.88 N ATOM 2420 CA SER B 125 38.949 24.372 29.626 1.00 36.93 C ATOM 2421 C SER B 125 37.737 25.223 29.943 1.00 33.91 C ATOM 2422 O SER B 125 37.411 26.167 29.214 1.00 32.44 O ATOM 2423 CB SER B 125 40.169 24.838 30.429 1.00 39.42 C ATOM 2424 OG SER B 125 40.591 26.113 29.983 1.00 44.37 O ATOM 0 H SER B 125 39.492 25.096 27.845 1.00 37.88 H new ATOM 0 HA SER B 125 38.770 23.457 29.895 1.00 36.93 H new ATOM 0 HB2 SER B 125 39.948 24.875 31.373 1.00 39.42 H new ATOM 0 HB3 SER B 125 40.892 24.199 30.332 1.00 39.42 H new ATOM 0 HG SER B 125 41.258 26.360 30.430 1.00 44.37 H new ATOM 2425 N LEU B 126 37.049 24.866 31.015 1.00 32.32 N ATOM 2426 CA LEU B 126 35.888 25.628 31.430 1.00 33.60 C ATOM 2427 C LEU B 126 36.360 26.816 32.256 1.00 34.28 C ATOM 2428 O LEU B 126 37.047 26.638 33.240 1.00 35.93 O ATOM 2429 CB LEU B 126 34.898 24.727 32.183 1.00 34.07 C ATOM 2430 CG LEU B 126 34.311 23.683 31.211 1.00 33.72 C ATOM 2431 CD1 LEU B 126 33.993 22.347 31.845 1.00 36.23 C ATOM 2432 CD2 LEU B 126 33.100 24.217 30.475 1.00 37.71 C ATOM 0 H LEU B 126 37.237 24.190 31.513 1.00 32.32 H new ATOM 0 HA LEU B 126 35.407 25.970 30.660 1.00 33.60 H new ATOM 0 HB2 LEU B 126 35.346 24.282 32.919 1.00 34.07 H new ATOM 0 HB3 LEU B 126 34.186 25.262 32.567 1.00 34.07 H new ATOM 0 HG LEU B 126 35.023 23.518 30.574 1.00 33.72 H new ATOM 0 HD11 LEU B 126 33.630 21.748 31.174 1.00 36.23 H new ATOM 0 HD12 LEU B 126 34.803 21.963 32.216 1.00 36.23 H new ATOM 0 HD13 LEU B 126 33.342 22.471 32.553 1.00 36.23 H new ATOM 0 HD21 LEU B 126 32.759 23.535 29.875 1.00 37.71 H new ATOM 0 HD22 LEU B 126 32.412 24.457 31.115 1.00 37.71 H new ATOM 0 HD23 LEU B 126 33.352 25.001 29.963 1.00 37.71 H new ATOM 2433 N LEU B 127 36.027 28.027 31.814 1.00 36.24 N ATOM 2434 CA LEU B 127 36.434 29.251 32.513 1.00 38.50 C ATOM 2435 C LEU B 127 35.729 29.402 33.846 1.00 41.82 C ATOM 2436 O LEU B 127 36.270 29.993 34.777 1.00 41.64 O ATOM 2437 CB LEU B 127 36.243 30.482 31.630 1.00 38.66 C ATOM 2438 CG LEU B 127 37.194 30.418 30.421 1.00 39.83 C ATOM 2439 CD1 LEU B 127 36.666 31.229 29.257 1.00 42.63 C ATOM 2440 CD2 LEU B 127 38.621 30.828 30.773 1.00 40.09 C ATOM 0 H LEU B 127 35.561 28.165 31.104 1.00 36.24 H new ATOM 0 HA LEU B 127 37.382 29.173 32.704 1.00 38.50 H new ATOM 0 HB2 LEU B 127 35.323 30.531 31.325 1.00 38.66 H new ATOM 0 HB3 LEU B 127 36.415 31.287 32.143 1.00 38.66 H new ATOM 0 HG LEU B 127 37.228 29.487 30.149 1.00 39.83 H new ATOM 0 HD11 LEU B 127 37.286 31.169 28.513 1.00 42.63 H new ATOM 0 HD12 LEU B 127 35.802 30.882 28.986 1.00 42.63 H new ATOM 0 HD13 LEU B 127 36.572 32.157 29.525 1.00 42.63 H new ATOM 0 HD21 LEU B 127 39.179 30.771 29.981 1.00 40.09 H new ATOM 0 HD22 LEU B 127 38.623 31.739 31.105 1.00 40.09 H new ATOM 0 HD23 LEU B 127 38.969 30.234 31.457 1.00 40.09 H new ATOM 2441 N SER B 128 34.535 28.830 33.947 1.00 43.13 N ATOM 2442 CA SER B 128 33.852 28.733 35.222 1.00 45.64 C ATOM 2443 C SER B 128 33.448 27.279 35.434 1.00 46.18 C ATOM 2444 O SER B 128 32.464 26.811 34.847 1.00 44.53 O ATOM 2445 CB SER B 128 32.647 29.673 35.244 1.00 49.94 C ATOM 2446 OG SER B 128 33.008 30.934 34.689 1.00 54.58 O ATOM 0 H SER B 128 34.104 28.491 33.284 1.00 43.13 H new ATOM 0 HA SER B 128 34.435 29.005 35.948 1.00 45.64 H new ATOM 0 HB2 SER B 128 31.915 29.286 34.739 1.00 49.94 H new ATOM 0 HB3 SER B 128 32.333 29.789 36.155 1.00 49.94 H new ATOM 0 HG SER B 128 32.343 31.447 34.702 1.00 54.58 H new ATOM 2447 N PRO B 129 34.239 26.542 36.239 1.00 47.71 N ATOM 2448 CA PRO B 129 33.965 25.131 36.545 1.00 45.87 C ATOM 2449 C PRO B 129 32.536 24.905 37.040 1.00 41.95 C ATOM 2450 O PRO B 129 32.013 25.721 37.778 1.00 40.42 O ATOM 2451 CB PRO B 129 34.965 24.821 37.663 1.00 46.90 C ATOM 2452 CG PRO B 129 36.116 25.724 37.371 1.00 49.51 C ATOM 2453 CD PRO B 129 35.489 27.002 36.876 1.00 49.04 C ATOM 0 HA PRO B 129 34.053 24.566 35.762 1.00 45.87 H new ATOM 0 HB2 PRO B 129 34.587 24.998 38.538 1.00 46.90 H new ATOM 0 HB3 PRO B 129 35.232 23.889 37.653 1.00 46.90 H new ATOM 0 HG2 PRO B 129 36.651 25.879 38.165 1.00 49.51 H new ATOM 0 HG3 PRO B 129 36.704 25.339 36.703 1.00 49.51 H new ATOM 0 HD2 PRO B 129 35.314 27.620 37.603 1.00 49.04 H new ATOM 0 HD3 PRO B 129 36.064 27.462 36.245 1.00 49.04 H new ATOM 2454 N ARG B 130 31.918 23.808 36.613 1.00 41.87 N ATOM 2455 CA ARG B 130 30.562 23.452 37.037 1.00 39.25 C ATOM 2456 C ARG B 130 30.518 21.961 37.332 1.00 35.91 C ATOM 2457 O ARG B 130 31.380 21.220 36.854 1.00 36.28 O ATOM 2458 CB ARG B 130 29.555 23.792 35.932 1.00 41.58 C ATOM 2459 CG ARG B 130 29.697 25.207 35.403 1.00 42.33 C ATOM 2460 CD ARG B 130 28.572 25.567 34.476 1.00 40.07 C ATOM 2461 NE ARG B 130 27.464 26.103 35.237 1.00 43.33 N ATOM 2462 CZ ARG B 130 27.115 27.383 35.240 1.00 44.71 C ATOM 2463 NH1 ARG B 130 27.802 28.254 34.507 1.00 45.49 N ATOM 2464 NH2 ARG B 130 26.092 27.789 35.988 1.00 43.87 N ATOM 0 H ARG B 130 32.272 23.246 36.067 1.00 41.87 H new ATOM 0 HA ARG B 130 30.328 23.955 37.833 1.00 39.25 H new ATOM 0 HB2 ARG B 130 29.666 23.167 35.199 1.00 41.58 H new ATOM 0 HB3 ARG B 130 28.656 23.670 36.274 1.00 41.58 H new ATOM 0 HG2 ARG B 130 29.717 25.830 36.146 1.00 42.33 H new ATOM 0 HG3 ARG B 130 30.543 25.295 34.936 1.00 42.33 H new ATOM 0 HD2 ARG B 130 28.874 26.220 33.825 1.00 40.07 H new ATOM 0 HD3 ARG B 130 28.286 24.783 33.981 1.00 40.07 H new ATOM 0 HE ARG B 130 27.003 25.558 35.717 1.00 43.33 H new ATOM 0 HH11 ARG B 130 28.469 27.987 34.034 1.00 45.49 H new ATOM 0 HH12 ARG B 130 27.580 29.085 34.506 1.00 45.49 H new ATOM 0 HH21 ARG B 130 25.659 27.222 36.468 1.00 43.87 H new ATOM 0 HH22 ARG B 130 25.864 28.618 35.991 1.00 43.87 H new ATOM 2465 N PRO B 131 29.515 21.506 38.103 1.00 33.02 N ATOM 2466 CA PRO B 131 29.423 20.066 38.310 1.00 33.49 C ATOM 2467 C PRO B 131 29.254 19.347 36.963 1.00 36.58 C ATOM 2468 O PRO B 131 28.686 19.909 36.034 1.00 34.14 O ATOM 2469 CB PRO B 131 28.150 19.904 39.151 1.00 31.09 C ATOM 2470 CG PRO B 131 27.866 21.255 39.729 1.00 32.51 C ATOM 2471 CD PRO B 131 28.392 22.237 38.727 1.00 32.60 C ATOM 0 HA PRO B 131 30.212 19.693 38.734 1.00 33.49 H new ATOM 0 HB2 PRO B 131 27.409 19.597 38.605 1.00 31.09 H new ATOM 0 HB3 PRO B 131 28.278 19.246 39.852 1.00 31.09 H new ATOM 0 HG2 PRO B 131 26.915 21.380 39.875 1.00 32.51 H new ATOM 0 HG3 PRO B 131 28.302 21.366 40.589 1.00 32.51 H new ATOM 0 HD2 PRO B 131 27.717 22.482 38.075 1.00 32.60 H new ATOM 0 HD3 PRO B 131 28.689 23.058 39.150 1.00 32.60 H new ATOM 2472 N VAL B 132 29.744 18.116 36.850 1.00 37.75 N ATOM 2473 CA VAL B 132 29.614 17.406 35.589 1.00 38.00 C ATOM 2474 C VAL B 132 28.153 17.055 35.299 1.00 38.91 C ATOM 2475 O VAL B 132 27.777 16.853 34.148 1.00 40.50 O ATOM 2476 CB VAL B 132 30.584 16.208 35.463 1.00 38.93 C ATOM 2477 CG1 VAL B 132 30.271 15.110 36.471 1.00 38.10 C ATOM 2478 CG2 VAL B 132 30.569 15.658 34.044 1.00 41.64 C ATOM 0 H VAL B 132 30.145 17.685 37.477 1.00 37.75 H new ATOM 0 HA VAL B 132 29.894 18.013 34.886 1.00 38.00 H new ATOM 0 HB VAL B 132 31.476 16.534 35.663 1.00 38.93 H new ATOM 0 HG11 VAL B 132 30.899 14.380 36.360 1.00 38.10 H new ATOM 0 HG12 VAL B 132 30.345 15.465 37.370 1.00 38.10 H new ATOM 0 HG13 VAL B 132 29.369 14.785 36.326 1.00 38.10 H new ATOM 0 HG21 VAL B 132 31.181 14.908 33.981 1.00 41.64 H new ATOM 0 HG22 VAL B 132 29.673 15.362 33.821 1.00 41.64 H new ATOM 0 HG23 VAL B 132 30.844 16.352 33.425 1.00 41.64 H new ATOM 2479 N SER B 133 27.331 17.019 36.343 1.00 40.62 N ATOM 2480 CA SER B 133 25.900 16.756 36.201 1.00 40.76 C ATOM 2481 C SER B 133 25.223 17.833 35.356 1.00 38.50 C ATOM 2482 O SER B 133 24.207 17.594 34.712 1.00 43.59 O ATOM 2483 CB SER B 133 25.238 16.696 37.579 1.00 41.02 C ATOM 2484 OG SER B 133 25.003 18.009 38.071 1.00 39.12 O ATOM 0 H SER B 133 27.586 17.146 37.154 1.00 40.62 H new ATOM 0 HA SER B 133 25.796 15.902 35.752 1.00 40.76 H new ATOM 0 HB2 SER B 133 24.400 16.211 37.521 1.00 41.02 H new ATOM 0 HB3 SER B 133 25.806 16.209 38.197 1.00 41.02 H new ATOM 0 HG SER B 133 24.638 17.964 38.826 1.00 39.12 H new ATOM 2485 N TYR B 134 25.794 19.025 35.361 1.00 36.99 N ATOM 2486 CA TYR B 134 25.277 20.133 34.575 1.00 38.42 C ATOM 2487 C TYR B 134 25.487 19.891 33.075 1.00 36.36 C ATOM 2488 O TYR B 134 24.897 20.584 32.256 1.00 36.04 O ATOM 2489 CB TYR B 134 26.011 21.400 35.005 1.00 40.46 C ATOM 2490 CG TYR B 134 25.516 22.718 34.452 1.00 43.01 C ATOM 2491 CD1 TYR B 134 26.049 23.248 33.276 1.00 43.19 C ATOM 2492 CD2 TYR B 134 24.567 23.475 35.147 1.00 45.94 C ATOM 2493 CE1 TYR B 134 25.621 24.474 32.776 1.00 45.49 C ATOM 2494 CE2 TYR B 134 24.135 24.704 34.663 1.00 45.60 C ATOM 2495 CZ TYR B 134 24.668 25.197 33.479 1.00 46.53 C ATOM 2496 OH TYR B 134 24.248 26.412 32.997 1.00 46.83 O ATOM 0 H TYR B 134 26.495 19.216 35.821 1.00 36.99 H new ATOM 0 HA TYR B 134 24.323 20.221 34.727 1.00 38.42 H new ATOM 0 HB2 TYR B 134 25.978 21.451 35.973 1.00 40.46 H new ATOM 0 HB3 TYR B 134 26.944 21.304 34.758 1.00 40.46 H new ATOM 0 HD1 TYR B 134 26.703 22.772 32.817 1.00 43.19 H new ATOM 0 HD2 TYR B 134 24.219 23.150 35.946 1.00 45.94 H new ATOM 0 HE1 TYR B 134 25.970 24.805 31.980 1.00 45.49 H new ATOM 0 HE2 TYR B 134 23.494 25.192 35.128 1.00 45.60 H new ATOM 0 HH TYR B 134 23.674 26.737 33.517 1.00 46.83 H new ATOM 2497 N LEU B 135 26.339 18.926 32.725 1.00 34.63 N ATOM 2498 CA LEU B 135 26.698 18.672 31.314 1.00 34.27 C ATOM 2499 C LEU B 135 26.133 17.339 30.814 1.00 33.42 C ATOM 2500 O LEU B 135 26.418 16.906 29.687 1.00 32.18 O ATOM 2501 CB LEU B 135 28.217 18.707 31.128 1.00 33.05 C ATOM 2502 CG LEU B 135 28.986 19.977 31.515 1.00 34.22 C ATOM 2503 CD1 LEU B 135 30.476 19.673 31.565 1.00 33.99 C ATOM 2504 CD2 LEU B 135 28.703 21.098 30.532 1.00 34.23 C ATOM 0 H LEU B 135 26.725 18.402 33.287 1.00 34.63 H new ATOM 0 HA LEU B 135 26.299 19.379 30.783 1.00 34.27 H new ATOM 0 HB2 LEU B 135 28.591 17.972 31.638 1.00 33.05 H new ATOM 0 HB3 LEU B 135 28.402 18.527 30.193 1.00 33.05 H new ATOM 0 HG LEU B 135 28.691 20.269 32.392 1.00 34.22 H new ATOM 0 HD11 LEU B 135 30.962 20.476 31.810 1.00 33.99 H new ATOM 0 HD12 LEU B 135 30.643 18.981 32.224 1.00 33.99 H new ATOM 0 HD13 LEU B 135 30.774 19.368 30.694 1.00 33.99 H new ATOM 0 HD21 LEU B 135 29.197 21.891 30.794 1.00 34.23 H new ATOM 0 HD22 LEU B 135 28.977 20.825 29.642 1.00 34.23 H new ATOM 0 HD23 LEU B 135 27.753 21.296 30.531 1.00 34.23 H new ATOM 2505 N LYS B 136 25.345 16.703 31.678 1.00 32.80 N ATOM 2506 CA LYS B 136 24.737 15.395 31.443 1.00 33.56 C ATOM 2507 C LYS B 136 23.842 15.521 30.212 1.00 30.92 C ATOM 2508 O LYS B 136 23.014 16.427 30.142 1.00 34.12 O ATOM 2509 CB LYS B 136 23.911 15.013 32.685 1.00 37.44 C ATOM 2510 CG LYS B 136 23.363 13.596 32.766 1.00 42.53 C ATOM 2511 CD LYS B 136 24.362 12.579 33.312 1.00 43.96 C ATOM 2512 CE LYS B 136 23.615 11.326 33.749 1.00 46.83 C ATOM 2513 NZ LYS B 136 24.337 10.074 33.402 1.00 51.69 N ATOM 0 H LYS B 136 25.142 17.034 32.446 1.00 32.80 H new ATOM 0 HA LYS B 136 25.403 14.707 31.291 1.00 33.56 H new ATOM 0 HB2 LYS B 136 24.463 15.164 33.468 1.00 37.44 H new ATOM 0 HB3 LYS B 136 23.162 15.626 32.744 1.00 37.44 H new ATOM 0 HG2 LYS B 136 22.573 13.595 33.329 1.00 42.53 H new ATOM 0 HG3 LYS B 136 23.081 13.316 31.881 1.00 42.53 H new ATOM 0 HD2 LYS B 136 25.018 12.357 32.633 1.00 43.96 H new ATOM 0 HD3 LYS B 136 24.847 12.957 34.062 1.00 43.96 H new ATOM 0 HE2 LYS B 136 23.473 11.357 34.708 1.00 46.83 H new ATOM 0 HE3 LYS B 136 22.739 11.315 33.333 1.00 46.83 H new ATOM 0 HZ1 LYS B 136 23.863 9.372 33.676 1.00 51.69 H new ATOM 0 HZ2 LYS B 136 24.448 10.030 32.520 1.00 51.69 H new ATOM 0 HZ3 LYS B 136 25.132 10.069 33.802 1.00 51.69 H new ATOM 2514 N GLY B 137 24.034 14.657 29.226 1.00 25.67 N ATOM 2515 CA GLY B 137 23.184 14.703 28.051 1.00 24.83 C ATOM 2516 C GLY B 137 23.601 15.678 26.960 1.00 24.18 C ATOM 2517 O GLY B 137 22.901 15.795 25.962 1.00 22.75 O ATOM 0 H GLY B 137 24.640 14.047 29.217 1.00 25.67 H new ATOM 0 HA2 GLY B 137 23.146 13.813 27.667 1.00 24.83 H new ATOM 0 HA3 GLY B 137 22.284 14.928 28.334 1.00 24.83 H new ATOM 2518 N SER B 138 24.738 16.359 27.134 1.00 21.95 N ATOM 2519 CA SER B 138 25.208 17.349 26.154 1.00 22.51 C ATOM 2520 C SER B 138 26.192 16.821 25.072 1.00 21.82 C ATOM 2521 O SER B 138 26.589 17.579 24.171 1.00 21.35 O ATOM 2522 CB SER B 138 25.839 18.556 26.880 1.00 22.81 C ATOM 2523 OG SER B 138 24.870 19.250 27.656 1.00 25.74 O ATOM 0 H SER B 138 25.254 16.263 27.815 1.00 21.95 H new ATOM 0 HA SER B 138 24.409 17.604 25.666 1.00 22.51 H new ATOM 0 HB2 SER B 138 26.560 18.252 27.454 1.00 22.81 H new ATOM 0 HB3 SER B 138 26.230 19.160 26.230 1.00 22.81 H new ATOM 0 HG SER B 138 24.487 18.711 28.174 1.00 25.74 H new ATOM 2524 N SER B 139 26.617 15.560 25.168 1.00 23.47 N ATOM 2525 CA SER B 139 27.521 14.967 24.150 1.00 22.56 C ATOM 2526 C SER B 139 26.975 15.211 22.744 1.00 21.94 C ATOM 2527 O SER B 139 25.785 15.018 22.494 1.00 23.19 O ATOM 2528 CB SER B 139 27.660 13.477 24.355 1.00 23.43 C ATOM 2529 OG SER B 139 28.163 13.193 25.635 1.00 32.90 O ATOM 0 H SER B 139 26.401 15.026 25.807 1.00 23.47 H new ATOM 0 HA SER B 139 28.388 15.391 24.248 1.00 22.56 H new ATOM 0 HB2 SER B 139 26.797 13.049 24.240 1.00 23.43 H new ATOM 0 HB3 SER B 139 28.252 13.108 23.681 1.00 23.43 H new ATOM 0 HG SER B 139 27.981 12.398 25.838 1.00 32.90 H new ATOM 2530 N GLY B 140 27.826 15.628 21.823 1.00 20.00 N ATOM 2531 CA GLY B 140 27.356 15.982 20.503 1.00 20.73 C ATOM 2532 C GLY B 140 26.943 17.435 20.367 1.00 21.06 C ATOM 2533 O GLY B 140 26.563 17.850 19.282 1.00 22.67 O ATOM 0 H GLY B 140 28.673 15.712 21.943 1.00 20.00 H new ATOM 0 HA2 GLY B 140 28.056 15.792 19.858 1.00 20.73 H new ATOM 0 HA3 GLY B 140 26.600 15.418 20.276 1.00 20.73 H new ATOM 2534 N GLY B 141 27.023 18.204 21.455 1.00 20.20 N ATOM 2535 CA GLY B 141 26.656 19.624 21.452 1.00 21.28 C ATOM 2536 C GLY B 141 27.725 20.471 20.781 1.00 22.11 C ATOM 2537 O GLY B 141 28.872 20.042 20.656 1.00 22.78 O ATOM 0 H GLY B 141 27.293 17.916 22.219 1.00 20.20 H new ATOM 0 HA2 GLY B 141 25.811 19.741 20.990 1.00 21.28 H new ATOM 0 HA3 GLY B 141 26.525 19.928 22.364 1.00 21.28 H new ATOM 2538 N PRO B 142 27.359 21.681 20.338 1.00 23.58 N ATOM 2539 CA PRO B 142 28.324 22.505 19.610 1.00 23.86 C ATOM 2540 C PRO B 142 29.223 23.376 20.507 1.00 27.08 C ATOM 2541 O PRO B 142 28.797 23.839 21.589 1.00 25.76 O ATOM 2542 CB PRO B 142 27.431 23.391 18.763 1.00 21.91 C ATOM 2543 CG PRO B 142 26.226 23.595 19.622 1.00 23.07 C ATOM 2544 CD PRO B 142 26.020 22.306 20.375 1.00 22.60 C ATOM 0 HA PRO B 142 28.951 21.952 19.118 1.00 23.86 H new ATOM 0 HB2 PRO B 142 27.863 24.232 18.548 1.00 21.91 H new ATOM 0 HB3 PRO B 142 27.202 22.967 17.921 1.00 21.91 H new ATOM 0 HG2 PRO B 142 26.359 24.336 20.234 1.00 23.07 H new ATOM 0 HG3 PRO B 142 25.449 23.809 19.083 1.00 23.07 H new ATOM 0 HD2 PRO B 142 25.723 22.465 21.285 1.00 22.60 H new ATOM 0 HD3 PRO B 142 25.351 21.746 19.952 1.00 22.60 H new ATOM 2545 N LEU B 143 30.457 23.566 20.043 1.00 27.63 N ATOM 2546 CA LEU B 143 31.347 24.585 20.565 1.00 31.34 C ATOM 2547 C LEU B 143 31.363 25.668 19.536 1.00 32.04 C ATOM 2548 O LEU B 143 31.682 25.421 18.370 1.00 33.46 O ATOM 2549 CB LEU B 143 32.764 24.064 20.766 1.00 33.46 C ATOM 2550 CG LEU B 143 33.072 23.310 22.052 1.00 39.01 C ATOM 2551 CD1 LEU B 143 32.562 21.880 21.963 1.00 39.76 C ATOM 2552 CD2 LEU B 143 34.572 23.306 22.292 1.00 39.68 C ATOM 0 H LEU B 143 30.800 23.098 19.408 1.00 27.63 H new ATOM 0 HA LEU B 143 31.037 24.888 21.433 1.00 31.34 H new ATOM 0 HB2 LEU B 143 32.974 23.479 20.021 1.00 33.46 H new ATOM 0 HB3 LEU B 143 33.369 24.820 20.713 1.00 33.46 H new ATOM 0 HG LEU B 143 32.626 23.754 22.791 1.00 39.01 H new ATOM 0 HD11 LEU B 143 32.765 21.412 22.788 1.00 39.76 H new ATOM 0 HD12 LEU B 143 31.602 21.887 21.823 1.00 39.76 H new ATOM 0 HD13 LEU B 143 32.993 21.428 21.221 1.00 39.76 H new ATOM 0 HD21 LEU B 143 34.767 22.825 23.112 1.00 39.68 H new ATOM 0 HD22 LEU B 143 35.018 22.871 21.548 1.00 39.68 H new ATOM 0 HD23 LEU B 143 34.890 24.219 22.369 1.00 39.68 H new ATOM 2553 N LEU B 144 31.003 26.866 19.966 1.00 31.78 N ATOM 2554 CA LEU B 144 30.909 28.006 19.072 1.00 34.12 C ATOM 2555 C LEU B 144 32.032 29.028 19.309 1.00 37.17 C ATOM 2556 O LEU B 144 32.580 29.125 20.415 1.00 34.56 O ATOM 2557 CB LEU B 144 29.544 28.676 19.231 1.00 33.00 C ATOM 2558 CG LEU B 144 28.310 27.776 19.174 1.00 33.45 C ATOM 2559 CD1 LEU B 144 27.063 28.620 19.354 1.00 34.50 C ATOM 2560 CD2 LEU B 144 28.230 27.026 17.848 1.00 33.40 C ATOM 0 H LEU B 144 30.806 27.041 20.785 1.00 31.78 H new ATOM 0 HA LEU B 144 31.010 27.676 18.165 1.00 34.12 H new ATOM 0 HB2 LEU B 144 29.536 29.143 20.081 1.00 33.00 H new ATOM 0 HB3 LEU B 144 29.457 29.349 18.537 1.00 33.00 H new ATOM 0 HG LEU B 144 28.377 27.122 19.887 1.00 33.45 H new ATOM 0 HD11 LEU B 144 26.279 28.050 19.318 1.00 34.50 H new ATOM 0 HD12 LEU B 144 27.097 29.069 20.213 1.00 34.50 H new ATOM 0 HD13 LEU B 144 27.015 29.281 18.646 1.00 34.50 H new ATOM 0 HD21 LEU B 144 27.439 26.464 17.841 1.00 33.40 H new ATOM 0 HD22 LEU B 144 28.180 27.663 17.118 1.00 33.40 H new ATOM 0 HD23 LEU B 144 29.020 26.473 17.741 1.00 33.40 H new ATOM 2561 N CYS B 145 32.366 29.769 18.255 1.00 37.95 N ATOM 2562 CA CYS B 145 33.209 30.948 18.360 1.00 41.24 C ATOM 2563 C CYS B 145 32.265 32.118 18.646 1.00 42.33 C ATOM 2564 O CYS B 145 31.051 31.947 18.541 1.00 42.13 O ATOM 2565 CB CYS B 145 33.975 31.170 17.052 1.00 41.01 C ATOM 2566 SG CYS B 145 32.941 31.835 15.732 1.00 52.78 S ATOM 0 H CYS B 145 32.106 29.597 17.454 1.00 37.95 H new ATOM 0 HA CYS B 145 33.871 30.855 19.062 1.00 41.24 H new ATOM 0 HB2 CYS B 145 34.713 31.778 17.215 1.00 41.01 H new ATOM 0 HB3 CYS B 145 34.359 30.328 16.762 1.00 41.01 H new ATOM 0 HG CYS B 145 33.602 31.985 14.742 1.00 52.78 H new ATOM 2567 N PRO B 146 32.805 33.314 18.984 1.00 44.27 N ATOM 2568 CA PRO B 146 31.903 34.410 19.365 1.00 42.85 C ATOM 2569 C PRO B 146 30.898 34.866 18.302 1.00 43.40 C ATOM 2570 O PRO B 146 29.838 35.374 18.656 1.00 43.19 O ATOM 2571 CB PRO B 146 32.872 35.538 19.744 1.00 42.53 C ATOM 2572 CG PRO B 146 34.076 34.818 20.245 1.00 40.07 C ATOM 2573 CD PRO B 146 34.211 33.661 19.281 1.00 43.59 C ATOM 0 HA PRO B 146 31.310 34.121 20.076 1.00 42.85 H new ATOM 0 HB2 PRO B 146 33.084 36.097 18.980 1.00 42.53 H new ATOM 0 HB3 PRO B 146 32.495 36.118 20.424 1.00 42.53 H new ATOM 0 HG2 PRO B 146 34.863 35.386 20.236 1.00 40.07 H new ATOM 0 HG3 PRO B 146 33.957 34.512 21.158 1.00 40.07 H new ATOM 0 HD2 PRO B 146 34.696 33.915 18.480 1.00 43.59 H new ATOM 0 HD3 PRO B 146 34.689 32.916 19.678 1.00 43.59 H new ATOM 2574 N SER B 147 31.188 34.673 17.021 1.00 43.30 N ATOM 2575 CA SER B 147 30.195 35.016 15.999 1.00 42.38 C ATOM 2576 C SER B 147 29.141 33.913 15.823 1.00 44.20 C ATOM 2577 O SER B 147 28.240 34.035 14.995 1.00 44.47 O ATOM 2578 CB SER B 147 30.878 35.262 14.661 1.00 43.98 C ATOM 2579 OG SER B 147 31.454 34.051 14.197 1.00 49.07 O ATOM 0 H SER B 147 31.930 34.355 16.724 1.00 43.30 H new ATOM 0 HA SER B 147 29.747 35.822 16.301 1.00 42.38 H new ATOM 0 HB2 SER B 147 30.236 35.595 14.015 1.00 43.98 H new ATOM 0 HB3 SER B 147 31.563 35.942 14.756 1.00 43.98 H new ATOM 0 HG SER B 147 31.798 33.638 14.843 1.00 49.07 H new ATOM 2580 N GLY B 148 29.268 32.827 16.579 1.00 44.27 N ATOM 2581 CA GLY B 148 28.329 31.716 16.472 1.00 45.01 C ATOM 2582 C GLY B 148 28.610 30.773 15.311 1.00 46.67 C ATOM 2583 O GLY B 148 27.698 30.108 14.816 1.00 44.98 O ATOM 0 H GLY B 148 29.892 32.714 17.160 1.00 44.27 H new ATOM 0 HA2 GLY B 148 28.347 31.209 17.299 1.00 45.01 H new ATOM 0 HA3 GLY B 148 27.432 32.072 16.377 1.00 45.01 H new ATOM 2584 N HIS B 149 29.866 30.730 14.866 1.00 43.78 N ATOM 2585 CA HIS B 149 30.309 29.713 13.929 1.00 43.93 C ATOM 2586 C HIS B 149 30.818 28.519 14.698 1.00 42.48 C ATOM 2587 O HIS B 149 31.240 28.636 15.859 1.00 39.85 O ATOM 2588 CB HIS B 149 31.373 30.250 12.965 1.00 48.83 C ATOM 2589 CG HIS B 149 30.864 31.305 12.000 1.00 49.96 C ATOM 2590 ND1 HIS B 149 29.766 31.131 11.244 1.00 53.78 N ATOM 2591 CD2 HIS B 149 31.367 32.561 11.670 1.00 52.85 C ATOM 2592 CE1 HIS B 149 29.556 32.228 10.488 1.00 51.86 C ATOM 2593 NE2 HIS B 149 30.535 33.102 10.749 1.00 53.98 N ATOM 0 H HIS B 149 30.477 31.288 15.100 1.00 43.78 H new ATOM 0 HA HIS B 149 29.554 29.444 13.382 1.00 43.93 H new ATOM 0 HB2 HIS B 149 32.103 30.625 13.482 1.00 48.83 H new ATOM 0 HB3 HIS B 149 31.737 29.509 12.456 1.00 48.83 H new ATOM 0 HD2 HIS B 149 32.134 32.956 12.018 1.00 52.85 H new ATOM 0 HE1 HIS B 149 28.855 32.355 9.891 1.00 51.86 H new ATOM 0 HE2 HIS B 149 30.621 33.879 10.391 1.00 53.98 H new ATOM 2594 N ALA B 150 30.780 27.355 14.055 1.00 39.55 N ATOM 2595 CA ALA B 150 31.038 26.088 14.740 1.00 38.39 C ATOM 2596 C ALA B 150 32.508 25.756 14.749 1.00 36.87 C ATOM 2597 O ALA B 150 33.163 25.838 13.714 1.00 36.86 O ATOM 2598 CB ALA B 150 30.251 24.963 14.081 1.00 35.63 C ATOM 0 H ALA B 150 30.606 27.276 13.217 1.00 39.55 H new ATOM 0 HA ALA B 150 30.748 26.184 15.661 1.00 38.39 H new ATOM 0 HB1 ALA B 150 30.430 24.129 14.543 1.00 35.63 H new ATOM 0 HB2 ALA B 150 29.303 25.161 14.127 1.00 35.63 H new ATOM 0 HB3 ALA B 150 30.519 24.881 13.152 1.00 35.63 H new ATOM 2599 N VAL B 151 33.005 25.336 15.910 1.00 33.48 N ATOM 2600 CA VAL B 151 34.411 25.014 16.095 1.00 33.30 C ATOM 2601 C VAL B 151 34.566 23.509 16.300 1.00 33.50 C ATOM 2602 O VAL B 151 35.570 22.920 15.930 1.00 33.71 O ATOM 2603 CB VAL B 151 34.989 25.740 17.328 1.00 32.64 C ATOM 2604 CG1 VAL B 151 36.413 25.282 17.588 1.00 30.45 C ATOM 2605 CG2 VAL B 151 34.944 27.246 17.132 1.00 32.83 C ATOM 0 H VAL B 151 32.528 25.230 16.618 1.00 33.48 H new ATOM 0 HA VAL B 151 34.893 25.302 15.304 1.00 33.30 H new ATOM 0 HB VAL B 151 34.445 25.517 18.099 1.00 32.64 H new ATOM 0 HG11 VAL B 151 36.765 25.745 18.364 1.00 30.45 H new ATOM 0 HG12 VAL B 151 36.421 24.326 17.751 1.00 30.45 H new ATOM 0 HG13 VAL B 151 36.964 25.483 16.815 1.00 30.45 H new ATOM 0 HG21 VAL B 151 35.310 27.686 17.915 1.00 32.83 H new ATOM 0 HG22 VAL B 151 35.468 27.487 16.352 1.00 32.83 H new ATOM 0 HG23 VAL B 151 34.025 27.528 17.004 1.00 32.83 H new ATOM 2606 N GLY B 152 33.558 22.887 16.894 1.00 33.40 N ATOM 2607 CA GLY B 152 33.552 21.442 17.037 1.00 32.16 C ATOM 2608 C GLY B 152 32.320 20.956 17.759 1.00 32.24 C ATOM 2609 O GLY B 152 31.423 21.747 18.048 1.00 27.24 O ATOM 0 H GLY B 152 32.869 23.284 17.221 1.00 33.40 H new ATOM 0 HA2 GLY B 152 33.597 21.030 16.160 1.00 32.16 H new ATOM 0 HA3 GLY B 152 34.343 21.162 17.523 1.00 32.16 H new ATOM 2610 N ILE B 153 32.273 19.647 18.017 1.00 32.75 N ATOM 2611 CA ILE B 153 31.202 19.069 18.808 1.00 34.46 C ATOM 2612 C ILE B 153 31.771 18.403 20.046 1.00 32.41 C ATOM 2613 O ILE B 153 32.786 17.717 19.986 1.00 30.44 O ATOM 2614 CB ILE B 153 30.223 18.124 18.018 1.00 34.48 C ATOM 2615 CG1 ILE B 153 30.926 16.887 17.479 1.00 35.78 C ATOM 2616 CG2 ILE B 153 29.532 18.872 16.878 1.00 35.59 C ATOM 2617 CD1 ILE B 153 29.972 15.807 17.003 1.00 36.26 C ATOM 0 H ILE B 153 32.857 19.080 17.739 1.00 32.75 H new ATOM 0 HA ILE B 153 30.635 19.810 19.074 1.00 34.46 H new ATOM 0 HB ILE B 153 29.551 17.830 18.653 1.00 34.48 H new ATOM 0 HG12 ILE B 153 31.503 17.146 16.743 1.00 35.78 H new ATOM 0 HG13 ILE B 153 31.498 16.521 18.172 1.00 35.78 H new ATOM 0 HG21 ILE B 153 28.936 18.268 16.409 1.00 35.59 H new ATOM 0 HG22 ILE B 153 29.021 19.613 17.240 1.00 35.59 H new ATOM 0 HG23 ILE B 153 30.200 19.210 16.261 1.00 35.59 H new ATOM 0 HD11 ILE B 153 30.480 15.049 16.673 1.00 36.26 H new ATOM 0 HD12 ILE B 153 29.410 15.523 17.741 1.00 36.26 H new ATOM 0 HD13 ILE B 153 29.415 16.158 16.290 1.00 36.26 H new ATOM 2618 N PHE B 154 31.059 18.608 21.146 1.00 31.87 N ATOM 2619 CA PHE B 154 31.453 18.195 22.470 1.00 34.52 C ATOM 2620 C PHE B 154 31.349 16.683 22.659 1.00 34.40 C ATOM 2621 O PHE B 154 30.355 16.074 22.287 1.00 31.69 O ATOM 2622 CB PHE B 154 30.577 18.943 23.482 1.00 37.36 C ATOM 2623 CG PHE B 154 30.737 18.470 24.890 1.00 40.07 C ATOM 2624 CD1 PHE B 154 31.967 18.556 25.534 1.00 40.97 C ATOM 2625 CD2 PHE B 154 29.656 17.944 25.577 1.00 42.32 C ATOM 2626 CE1 PHE B 154 32.112 18.117 26.837 1.00 41.00 C ATOM 2627 CE2 PHE B 154 29.792 17.500 26.880 1.00 44.31 C ATOM 2628 CZ PHE B 154 31.025 17.593 27.513 1.00 43.59 C ATOM 0 H PHE B 154 30.299 19.011 21.133 1.00 31.87 H new ATOM 0 HA PHE B 154 32.387 18.416 22.608 1.00 34.52 H new ATOM 0 HB2 PHE B 154 30.789 19.889 23.442 1.00 37.36 H new ATOM 0 HB3 PHE B 154 29.647 18.849 23.223 1.00 37.36 H new ATOM 0 HD1 PHE B 154 32.699 18.912 25.084 1.00 40.97 H new ATOM 0 HD2 PHE B 154 28.828 17.889 25.157 1.00 42.32 H new ATOM 0 HE1 PHE B 154 32.939 18.174 27.258 1.00 41.00 H new ATOM 0 HE2 PHE B 154 29.062 17.141 27.330 1.00 44.31 H new ATOM 0 HZ PHE B 154 31.120 17.303 28.392 1.00 43.59 H new ATOM 2629 N ARG B 155 32.365 16.095 23.278 1.00 34.02 N ATOM 2630 CA ARG B 155 32.541 14.649 23.256 1.00 37.75 C ATOM 2631 C ARG B 155 32.548 14.050 24.652 1.00 37.68 C ATOM 2632 O ARG B 155 31.829 13.083 24.931 1.00 39.33 O ATOM 2633 CB ARG B 155 33.844 14.318 22.524 1.00 38.37 C ATOM 2634 CG ARG B 155 33.857 12.985 21.831 1.00 42.01 C ATOM 2635 CD ARG B 155 35.243 12.628 21.306 1.00 44.19 C ATOM 2636 NE ARG B 155 36.154 12.226 22.372 1.00 50.14 N ATOM 2637 CZ ARG B 155 36.215 11.005 22.907 1.00 52.04 C ATOM 2638 NH1 ARG B 155 35.419 10.039 22.485 1.00 53.14 N ATOM 2639 NH2 ARG B 155 37.077 10.749 23.881 1.00 56.11 N ATOM 0 H ARG B 155 32.968 16.520 23.720 1.00 34.02 H new ATOM 0 HA ARG B 155 31.787 14.257 22.788 1.00 37.75 H new ATOM 0 HB2 ARG B 155 34.016 15.011 21.868 1.00 38.37 H new ATOM 0 HB3 ARG B 155 34.574 14.344 23.162 1.00 38.37 H new ATOM 0 HG2 ARG B 155 33.559 12.298 22.447 1.00 42.01 H new ATOM 0 HG3 ARG B 155 33.226 12.998 21.094 1.00 42.01 H new ATOM 0 HD2 ARG B 155 35.166 11.908 20.661 1.00 44.19 H new ATOM 0 HD3 ARG B 155 35.615 13.391 20.837 1.00 44.19 H new ATOM 0 HE ARG B 155 36.693 12.821 22.679 1.00 50.14 H new ATOM 0 HH11 ARG B 155 34.852 10.193 21.857 1.00 53.14 H new ATOM 0 HH12 ARG B 155 35.468 9.256 22.838 1.00 53.14 H new ATOM 0 HH21 ARG B 155 37.598 11.370 24.169 1.00 56.11 H new ATOM 0 HH22 ARG B 155 37.116 9.962 24.225 1.00 56.11 H new ATOM 2640 N ALA B 156 33.366 14.627 25.528 1.00 36.70 N ATOM 2641 CA ALA B 156 33.526 14.138 26.890 1.00 36.99 C ATOM 2642 C ALA B 156 33.988 15.284 27.770 1.00 37.27 C ATOM 2643 O ALA B 156 34.529 16.265 27.267 1.00 38.23 O ATOM 2644 CB ALA B 156 34.544 13.005 26.925 1.00 36.81 C ATOM 0 H ALA B 156 33.846 15.317 25.346 1.00 36.70 H new ATOM 0 HA ALA B 156 32.679 13.797 27.216 1.00 36.99 H new ATOM 0 HB1 ALA B 156 34.643 12.687 27.836 1.00 36.81 H new ATOM 0 HB2 ALA B 156 34.239 12.278 26.360 1.00 36.81 H new ATOM 0 HB3 ALA B 156 35.399 13.328 26.601 1.00 36.81 H new ATOM 2645 N ALA B 157 33.762 15.173 29.073 1.00 37.26 N ATOM 2646 CA ALA B 157 34.331 16.135 30.010 1.00 39.92 C ATOM 2647 C ALA B 157 35.452 15.499 30.808 1.00 40.37 C ATOM 2648 O ALA B 157 35.375 14.333 31.190 1.00 42.40 O ATOM 2649 CB ALA B 157 33.267 16.703 30.943 1.00 39.02 C ATOM 0 H ALA B 157 33.286 14.554 29.434 1.00 37.26 H new ATOM 0 HA ALA B 157 34.694 16.871 29.493 1.00 39.92 H new ATOM 0 HB1 ALA B 157 33.676 17.338 31.552 1.00 39.02 H new ATOM 0 HB2 ALA B 157 32.584 17.151 30.420 1.00 39.02 H new ATOM 0 HB3 ALA B 157 32.863 15.982 31.451 1.00 39.02 H new ATOM 2650 N VAL B 158 36.505 16.275 31.036 1.00 43.11 N ATOM 2651 CA VAL B 158 37.556 15.903 31.976 1.00 45.50 C ATOM 2652 C VAL B 158 37.111 16.407 33.355 1.00 49.78 C ATOM 2653 O VAL B 158 36.731 17.579 33.528 1.00 48.64 O ATOM 2654 CB VAL B 158 38.930 16.503 31.589 1.00 45.13 C ATOM 2655 CG1 VAL B 158 40.059 15.757 32.294 1.00 47.95 C ATOM 2656 CG2 VAL B 158 39.133 16.470 30.082 1.00 42.55 C ATOM 0 H VAL B 158 36.631 17.033 30.650 1.00 43.11 H new ATOM 0 HA VAL B 158 37.678 14.941 31.972 1.00 45.50 H new ATOM 0 HB VAL B 158 38.944 17.429 31.877 1.00 45.13 H new ATOM 0 HG11 VAL B 158 40.911 16.145 32.041 1.00 47.95 H new ATOM 0 HG12 VAL B 158 39.944 15.829 33.255 1.00 47.95 H new ATOM 0 HG13 VAL B 158 40.040 14.822 32.036 1.00 47.95 H new ATOM 0 HG21 VAL B 158 39.998 16.850 29.863 1.00 42.55 H new ATOM 0 HG22 VAL B 158 39.095 15.552 29.770 1.00 42.55 H new ATOM 0 HG23 VAL B 158 38.435 16.987 29.650 1.00 42.55 H new ATOM 2657 N CYS B 159 37.154 15.509 34.331 1.00 55.18 N ATOM 2658 CA CYS B 159 36.564 15.772 35.626 1.00 54.66 C ATOM 2659 C CYS B 159 37.498 15.508 36.794 1.00 56.55 C ATOM 2660 O CYS B 159 38.340 14.610 36.759 1.00 54.60 O ATOM 2661 CB CYS B 159 35.298 14.941 35.793 1.00 59.83 C ATOM 2662 SG CYS B 159 33.898 15.530 34.826 1.00 67.88 S ATOM 0 H CYS B 159 37.524 14.736 34.258 1.00 55.18 H new ATOM 0 HA CYS B 159 36.362 16.721 35.643 1.00 54.66 H new ATOM 0 HB2 CYS B 159 35.489 14.024 35.541 1.00 59.83 H new ATOM 0 HB3 CYS B 159 35.050 14.932 36.731 1.00 59.83 H new ATOM 0 HG CYS B 159 33.546 14.670 34.066 1.00 67.88 H new ATOM 2663 N THR B 160 37.332 16.311 37.834 1.00 58.19 N ATOM 2664 CA THR B 160 37.977 16.050 39.104 1.00 59.03 C ATOM 2665 C THR B 160 36.951 16.200 40.233 1.00 57.22 C ATOM 2666 O THR B 160 36.374 17.279 40.433 1.00 53.92 O ATOM 2667 CB THR B 160 39.252 16.912 39.298 1.00 62.55 C ATOM 2668 OG1 THR B 160 39.848 16.616 40.567 1.00 66.64 O ATOM 2669 CG2 THR B 160 38.955 18.419 39.189 1.00 60.61 C ATOM 0 H THR B 160 36.844 17.019 37.822 1.00 58.19 H new ATOM 0 HA THR B 160 38.298 15.135 39.121 1.00 59.03 H new ATOM 0 HB THR B 160 39.871 16.688 38.585 1.00 62.55 H new ATOM 0 HG1 THR B 160 40.539 17.083 40.668 1.00 66.64 H new ATOM 0 HG21 THR B 160 39.775 18.921 39.316 1.00 60.61 H new ATOM 0 HG22 THR B 160 38.589 18.614 38.312 1.00 60.61 H new ATOM 0 HG23 THR B 160 38.313 18.673 39.870 1.00 60.61 H new ATOM 2670 N ARG B 161 36.699 15.090 40.925 1.00 53.74 N ATOM 2671 CA ARG B 161 35.763 15.029 42.058 1.00 54.63 C ATOM 2672 C ARG B 161 34.359 15.565 41.740 1.00 53.83 C ATOM 2673 O ARG B 161 33.724 16.210 42.579 1.00 57.94 O ATOM 2674 CB ARG B 161 36.349 15.730 43.289 1.00 59.55 C ATOM 2675 CG ARG B 161 37.774 15.312 43.629 1.00 65.14 C ATOM 2676 CD ARG B 161 38.431 16.314 44.562 1.00 69.59 C ATOM 2677 NE ARG B 161 39.746 16.725 44.068 1.00 75.29 N ATOM 2678 CZ ARG B 161 39.995 17.859 43.406 1.00 77.63 C ATOM 2679 NH1 ARG B 161 39.020 18.730 43.151 1.00 75.67 N ATOM 2680 NH2 ARG B 161 41.232 18.129 43.000 1.00 75.34 N ATOM 0 H ARG B 161 37.072 14.335 40.749 1.00 53.74 H new ATOM 0 HA ARG B 161 35.647 14.086 42.252 1.00 54.63 H new ATOM 0 HB2 ARG B 161 36.331 16.689 43.142 1.00 59.55 H new ATOM 0 HB3 ARG B 161 35.779 15.549 44.053 1.00 59.55 H new ATOM 0 HG2 ARG B 161 37.766 14.436 44.045 1.00 65.14 H new ATOM 0 HG3 ARG B 161 38.295 15.235 42.814 1.00 65.14 H new ATOM 0 HD2 ARG B 161 37.861 17.093 44.655 1.00 69.59 H new ATOM 0 HD3 ARG B 161 38.523 15.923 45.445 1.00 69.59 H new ATOM 0 HE ARG B 161 40.409 16.197 44.215 1.00 75.29 H new ATOM 0 HH11 ARG B 161 38.218 18.566 43.413 1.00 75.67 H new ATOM 0 HH12 ARG B 161 39.193 19.456 42.724 1.00 75.67 H new ATOM 0 HH21 ARG B 161 41.869 17.575 43.164 1.00 75.34 H new ATOM 0 HH22 ARG B 161 41.395 18.858 42.574 1.00 75.34 H new ATOM 2681 N GLY B 162 33.881 15.292 40.526 1.00 49.24 N ATOM 2682 CA GLY B 162 32.508 15.610 40.144 1.00 43.72 C ATOM 2683 C GLY B 162 32.363 16.985 39.536 1.00 39.89 C ATOM 2684 O GLY B 162 31.250 17.425 39.225 1.00 37.88 O ATOM 0 H GLY B 162 34.343 14.919 39.904 1.00 49.24 H new ATOM 0 HA2 GLY B 162 32.193 14.947 39.509 1.00 43.72 H new ATOM 0 HA3 GLY B 162 31.938 15.547 40.926 1.00 43.72 H new ATOM 2685 N VAL B 163 33.499 17.654 39.370 1.00 36.66 N ATOM 2686 CA VAL B 163 33.547 18.984 38.817 1.00 36.52 C ATOM 2687 C VAL B 163 34.202 18.927 37.436 1.00 37.21 C ATOM 2688 O VAL B 163 35.292 18.377 37.267 1.00 35.64 O ATOM 2689 CB VAL B 163 34.278 19.957 39.765 1.00 36.53 C ATOM 2690 CG1 VAL B 163 34.235 21.372 39.223 1.00 36.59 C ATOM 2691 CG2 VAL B 163 33.625 19.934 41.134 1.00 38.01 C ATOM 0 H VAL B 163 34.270 17.337 39.581 1.00 36.66 H new ATOM 0 HA VAL B 163 32.645 19.326 38.718 1.00 36.52 H new ATOM 0 HB VAL B 163 35.203 19.672 39.834 1.00 36.53 H new ATOM 0 HG11 VAL B 163 34.699 21.967 39.833 1.00 36.59 H new ATOM 0 HG12 VAL B 163 34.666 21.399 38.355 1.00 36.59 H new ATOM 0 HG13 VAL B 163 33.312 21.657 39.134 1.00 36.59 H new ATOM 0 HG21 VAL B 163 34.089 20.548 41.725 1.00 38.01 H new ATOM 0 HG22 VAL B 163 32.696 20.203 41.054 1.00 38.01 H new ATOM 0 HG23 VAL B 163 33.671 19.037 41.500 1.00 38.01 H new ATOM 2692 N ALA B 164 33.518 19.473 36.438 1.00 36.84 N ATOM 2693 CA ALA B 164 34.053 19.453 35.093 1.00 38.46 C ATOM 2694 C ALA B 164 34.957 20.671 34.925 1.00 38.70 C ATOM 2695 O ALA B 164 34.562 21.794 35.243 1.00 39.14 O ATOM 2696 CB ALA B 164 32.932 19.444 34.066 1.00 36.69 C ATOM 0 H ALA B 164 32.752 19.855 36.521 1.00 36.84 H new ATOM 0 HA ALA B 164 34.569 18.644 34.949 1.00 38.46 H new ATOM 0 HB1 ALA B 164 33.311 19.431 33.173 1.00 36.69 H new ATOM 0 HB2 ALA B 164 32.381 18.656 34.195 1.00 36.69 H new ATOM 0 HB3 ALA B 164 32.388 20.240 34.174 1.00 36.69 H new ATOM 2697 N LYS B 165 36.166 20.433 34.431 1.00 37.35 N ATOM 2698 CA LYS B 165 37.166 21.480 34.300 1.00 41.43 C ATOM 2699 C LYS B 165 37.482 21.724 32.848 1.00 42.06 C ATOM 2700 O LYS B 165 37.712 22.858 32.425 1.00 42.87 O ATOM 2701 CB LYS B 165 38.456 21.083 35.031 1.00 45.07 C ATOM 2702 CG LYS B 165 38.339 21.011 36.551 1.00 46.90 C ATOM 2703 CD LYS B 165 37.864 22.330 37.153 1.00 51.44 C ATOM 2704 CE LYS B 165 37.831 22.277 38.677 1.00 51.73 C ATOM 2705 NZ LYS B 165 39.158 21.923 39.249 1.00 52.91 N ATOM 0 H LYS B 165 36.428 19.659 34.163 1.00 37.35 H new ATOM 0 HA LYS B 165 36.807 22.290 34.695 1.00 41.43 H new ATOM 0 HB2 LYS B 165 38.746 20.218 34.701 1.00 45.07 H new ATOM 0 HB3 LYS B 165 39.150 21.721 34.803 1.00 45.07 H new ATOM 0 HG2 LYS B 165 37.720 20.305 36.793 1.00 46.90 H new ATOM 0 HG3 LYS B 165 39.200 20.776 36.930 1.00 46.90 H new ATOM 0 HD2 LYS B 165 38.452 23.047 36.867 1.00 51.44 H new ATOM 0 HD3 LYS B 165 36.978 22.539 36.817 1.00 51.44 H new ATOM 0 HE2 LYS B 165 37.549 23.138 39.024 1.00 51.73 H new ATOM 0 HE3 LYS B 165 37.172 21.626 38.963 1.00 51.73 H new ATOM 0 HZ1 LYS B 165 39.346 22.471 39.924 1.00 52.91 H new ATOM 0 HZ2 LYS B 165 39.140 21.084 39.545 1.00 52.91 H new ATOM 0 HZ3 LYS B 165 39.783 22.002 38.620 1.00 52.91 H new ATOM 2706 N ALA B 166 37.490 20.641 32.083 1.00 41.60 N ATOM 2707 CA ALA B 166 37.850 20.704 30.690 1.00 40.80 C ATOM 2708 C ALA B 166 36.873 19.900 29.847 1.00 42.30 C ATOM 2709 O ALA B 166 36.282 18.919 30.314 1.00 38.79 O ATOM 2710 CB ALA B 166 39.267 20.190 30.499 1.00 39.92 C ATOM 0 H ALA B 166 37.286 19.854 32.363 1.00 41.60 H new ATOM 0 HA ALA B 166 37.809 21.628 30.399 1.00 40.80 H new ATOM 0 HB1 ALA B 166 39.504 20.235 29.559 1.00 39.92 H new ATOM 0 HB2 ALA B 166 39.882 20.736 31.013 1.00 39.92 H new ATOM 0 HB3 ALA B 166 39.321 19.270 30.802 1.00 39.92 H new ATOM 2711 N VAL B 167 36.707 20.333 28.606 1.00 40.02 N ATOM 2712 CA VAL B 167 35.923 19.588 27.651 1.00 41.65 C ATOM 2713 C VAL B 167 36.800 19.047 26.524 1.00 41.92 C ATOM 2714 O VAL B 167 37.701 19.733 26.027 1.00 38.21 O ATOM 2715 CB VAL B 167 34.751 20.409 27.086 1.00 41.21 C ATOM 2716 CG1 VAL B 167 33.734 20.696 28.191 1.00 44.31 C ATOM 2717 CG2 VAL B 167 35.242 21.698 26.453 1.00 40.33 C ATOM 0 H VAL B 167 37.045 21.062 28.300 1.00 40.02 H new ATOM 0 HA VAL B 167 35.539 18.837 28.130 1.00 41.65 H new ATOM 0 HB VAL B 167 34.317 19.889 26.391 1.00 41.21 H new ATOM 0 HG11 VAL B 167 32.998 21.214 27.828 1.00 44.31 H new ATOM 0 HG12 VAL B 167 33.396 19.859 28.545 1.00 44.31 H new ATOM 0 HG13 VAL B 167 34.162 21.198 28.902 1.00 44.31 H new ATOM 0 HG21 VAL B 167 34.486 22.196 26.105 1.00 40.33 H new ATOM 0 HG22 VAL B 167 35.701 22.232 27.120 1.00 40.33 H new ATOM 0 HG23 VAL B 167 35.853 21.491 25.729 1.00 40.33 H new ATOM 2718 N ASP B 168 36.540 17.795 26.162 1.00 42.51 N ATOM 2719 CA ASP B 168 37.147 17.170 25.002 1.00 41.03 C ATOM 2720 C ASP B 168 36.153 17.206 23.851 1.00 39.41 C ATOM 2721 O ASP B 168 34.992 16.809 24.013 1.00 38.95 O ATOM 2722 CB ASP B 168 37.505 15.730 25.329 1.00 46.97 C ATOM 2723 CG ASP B 168 38.531 15.171 24.385 1.00 57.74 C ATOM 2724 OD1 ASP B 168 39.742 15.415 24.615 1.00 62.52 O ATOM 2725 OD2 ASP B 168 38.119 14.502 23.406 1.00 64.86 O ATOM 0 H ASP B 168 35.999 17.282 26.591 1.00 42.51 H new ATOM 0 HA ASP B 168 37.954 17.646 24.753 1.00 41.03 H new ATOM 0 HB2 ASP B 168 37.843 15.681 26.237 1.00 46.97 H new ATOM 0 HB3 ASP B 168 36.704 15.184 25.294 1.00 46.97 H new ATOM 2726 N PHE B 169 36.601 17.679 22.695 1.00 34.49 N ATOM 2727 CA PHE B 169 35.722 17.807 21.540 1.00 36.95 C ATOM 2728 C PHE B 169 36.309 17.285 20.214 1.00 38.18 C ATOM 2729 O PHE B 169 37.509 16.995 20.120 1.00 38.31 O ATOM 2730 CB PHE B 169 35.220 19.248 21.396 1.00 37.47 C ATOM 2731 CG PHE B 169 36.283 20.235 21.014 1.00 36.89 C ATOM 2732 CD1 PHE B 169 37.085 20.823 21.985 1.00 37.22 C ATOM 2733 CD2 PHE B 169 36.458 20.602 19.687 1.00 37.03 C ATOM 2734 CE1 PHE B 169 38.058 21.751 21.638 1.00 37.17 C ATOM 2735 CE2 PHE B 169 37.428 21.528 19.328 1.00 38.13 C ATOM 2736 CZ PHE B 169 38.234 22.097 20.305 1.00 36.92 C ATOM 0 H PHE B 169 37.412 17.932 22.558 1.00 34.49 H new ATOM 0 HA PHE B 169 34.972 17.220 21.725 1.00 36.95 H new ATOM 0 HB2 PHE B 169 34.518 19.270 20.727 1.00 37.47 H new ATOM 0 HB3 PHE B 169 34.821 19.526 22.235 1.00 37.47 H new ATOM 0 HD1 PHE B 169 36.969 20.592 22.878 1.00 37.22 H new ATOM 0 HD2 PHE B 169 35.919 20.223 19.031 1.00 37.03 H new ATOM 0 HE1 PHE B 169 38.589 22.139 22.295 1.00 37.17 H new ATOM 0 HE2 PHE B 169 37.538 21.767 18.436 1.00 38.13 H new ATOM 0 HZ PHE B 169 38.892 22.710 20.067 1.00 36.92 H new ATOM 2737 N VAL B 170 35.436 17.158 19.212 1.00 35.40 N ATOM 2738 CA VAL B 170 35.819 16.796 17.855 1.00 34.71 C ATOM 2739 C VAL B 170 35.874 18.057 17.014 1.00 34.74 C ATOM 2740 O VAL B 170 34.854 18.706 16.805 1.00 31.33 O ATOM 2741 CB VAL B 170 34.807 15.810 17.210 1.00 37.08 C ATOM 2742 CG1 VAL B 170 35.195 15.523 15.758 1.00 34.42 C ATOM 2743 CG2 VAL B 170 34.697 14.520 18.035 1.00 35.17 C ATOM 0 H VAL B 170 34.591 17.283 19.309 1.00 35.40 H new ATOM 0 HA VAL B 170 36.684 16.358 17.892 1.00 34.71 H new ATOM 0 HB VAL B 170 33.930 16.224 17.206 1.00 37.08 H new ATOM 0 HG11 VAL B 170 34.556 14.907 15.368 1.00 34.42 H new ATOM 0 HG12 VAL B 170 35.195 16.351 15.253 1.00 34.42 H new ATOM 0 HG13 VAL B 170 36.081 15.129 15.731 1.00 34.42 H new ATOM 0 HG21 VAL B 170 34.061 13.920 17.615 1.00 35.17 H new ATOM 0 HG22 VAL B 170 35.565 14.090 18.081 1.00 35.17 H new ATOM 0 HG23 VAL B 170 34.395 14.734 18.932 1.00 35.17 H new ATOM 2744 N PRO B 171 37.071 18.411 16.508 1.00 38.04 N ATOM 2745 CA PRO B 171 37.208 19.669 15.757 1.00 37.42 C ATOM 2746 C PRO B 171 36.453 19.672 14.437 1.00 39.66 C ATOM 2747 O PRO B 171 36.265 18.621 13.832 1.00 37.92 O ATOM 2748 CB PRO B 171 38.717 19.770 15.492 1.00 38.47 C ATOM 2749 CG PRO B 171 39.358 18.798 16.425 1.00 39.64 C ATOM 2750 CD PRO B 171 38.359 17.714 16.689 1.00 38.49 C ATOM 0 HA PRO B 171 36.837 20.412 16.258 1.00 37.42 H new ATOM 0 HB2 PRO B 171 38.924 19.555 14.569 1.00 38.47 H new ATOM 0 HB3 PRO B 171 39.039 20.671 15.652 1.00 38.47 H new ATOM 0 HG2 PRO B 171 40.167 18.431 16.035 1.00 39.64 H new ATOM 0 HG3 PRO B 171 39.615 19.235 17.252 1.00 39.64 H new ATOM 0 HD2 PRO B 171 38.458 16.974 16.070 1.00 38.49 H new ATOM 0 HD3 PRO B 171 38.450 17.350 17.584 1.00 38.49 H new ATOM 2751 N VAL B 172 36.029 20.854 13.998 1.00 43.37 N ATOM 2752 CA VAL B 172 35.357 21.011 12.716 1.00 48.44 C ATOM 2753 C VAL B 172 36.248 20.545 11.563 1.00 54.40 C ATOM 2754 O VAL B 172 35.757 20.150 10.499 1.00 57.33 O ATOM 2755 CB VAL B 172 34.886 22.458 12.521 1.00 51.77 C ATOM 2756 CG1 VAL B 172 34.745 22.810 11.046 1.00 59.36 C ATOM 2757 CG2 VAL B 172 33.535 22.627 13.196 1.00 54.55 C ATOM 0 H VAL B 172 36.124 21.587 14.437 1.00 43.37 H new ATOM 0 HA VAL B 172 34.570 20.444 12.716 1.00 48.44 H new ATOM 0 HB VAL B 172 35.549 23.049 12.911 1.00 51.77 H new ATOM 0 HG11 VAL B 172 34.447 23.729 10.959 1.00 59.36 H new ATOM 0 HG12 VAL B 172 35.603 22.706 10.605 1.00 59.36 H new ATOM 0 HG13 VAL B 172 34.096 22.219 10.633 1.00 59.36 H new ATOM 0 HG21 VAL B 172 33.227 23.539 13.079 1.00 54.55 H new ATOM 0 HG22 VAL B 172 32.895 22.016 12.798 1.00 54.55 H new ATOM 0 HG23 VAL B 172 33.620 22.433 14.143 1.00 54.55 H new ATOM 2758 N GLU B 173 37.555 20.572 11.799 1.00 55.92 N ATOM 2759 CA GLU B 173 38.539 20.076 10.845 1.00 55.68 C ATOM 2760 C GLU B 173 38.386 18.563 10.629 1.00 54.64 C ATOM 2761 O GLU B 173 38.411 18.082 9.496 1.00 55.01 O ATOM 2762 CB GLU B 173 39.959 20.422 11.324 1.00 54.68 C ATOM 2763 CG GLU B 173 40.398 21.855 11.028 1.00 56.15 C ATOM 2764 CD GLU B 173 39.692 22.915 11.873 1.00 58.77 C ATOM 2765 OE1 GLU B 173 39.210 22.608 12.987 1.00 56.96 O ATOM 2766 OE2 GLU B 173 39.615 24.073 11.414 1.00 59.15 O ATOM 0 H GLU B 173 37.898 20.882 12.524 1.00 55.92 H new ATOM 0 HA GLU B 173 38.385 20.510 9.991 1.00 55.68 H new ATOM 0 HB2 GLU B 173 40.011 20.271 12.281 1.00 54.68 H new ATOM 0 HB3 GLU B 173 40.586 19.811 10.907 1.00 54.68 H new ATOM 0 HG2 GLU B 173 41.355 21.926 11.172 1.00 56.15 H new ATOM 0 HG3 GLU B 173 40.238 22.044 10.090 1.00 56.15 H new ATOM 2767 N SER B 174 38.224 17.817 11.719 1.00 51.76 N ATOM 2768 CA SER B 174 38.020 16.375 11.639 1.00 48.64 C ATOM 2769 C SER B 174 36.745 16.017 10.861 1.00 50.09 C ATOM 2770 O SER B 174 36.626 14.918 10.304 1.00 46.55 O ATOM 2771 CB SER B 174 37.963 15.780 13.031 1.00 49.97 C ATOM 2772 OG SER B 174 39.127 16.097 13.767 1.00 53.16 O ATOM 0 H SER B 174 38.229 18.131 12.520 1.00 51.76 H new ATOM 0 HA SER B 174 38.773 16.000 11.156 1.00 48.64 H new ATOM 0 HB2 SER B 174 37.181 16.114 13.497 1.00 49.97 H new ATOM 0 HB3 SER B 174 37.867 14.817 12.971 1.00 49.97 H new ATOM 0 HG SER B 174 39.542 15.391 13.954 1.00 53.16 H new ATOM 2773 N MET B 175 35.795 16.944 10.820 1.00 48.62 N ATOM 2774 CA MET B 175 34.611 16.756 9.997 1.00 51.33 C ATOM 2775 C MET B 175 34.977 16.881 8.534 1.00 54.46 C ATOM 2776 O MET B 175 34.473 16.124 7.708 1.00 57.01 O ATOM 2777 CB MET B 175 33.506 17.736 10.370 1.00 47.81 C ATOM 2778 CG MET B 175 33.000 17.542 11.790 1.00 47.18 C ATOM 2779 SD MET B 175 31.970 18.892 12.388 1.00 48.92 S ATOM 2780 CE MET B 175 31.955 18.514 14.142 1.00 46.84 C ATOM 0 H MET B 175 35.817 17.684 11.258 1.00 48.62 H new ATOM 0 HA MET B 175 34.266 15.864 10.160 1.00 51.33 H new ATOM 0 HB2 MET B 175 33.836 18.643 10.270 1.00 47.81 H new ATOM 0 HB3 MET B 175 32.766 17.634 9.751 1.00 47.81 H new ATOM 0 HG2 MET B 175 32.493 16.716 11.833 1.00 47.18 H new ATOM 0 HG3 MET B 175 33.760 17.439 12.384 1.00 47.18 H new ATOM 0 HE1 MET B 175 31.946 19.340 14.651 1.00 46.84 H new ATOM 0 HE2 MET B 175 31.164 17.995 14.355 1.00 46.84 H new ATOM 0 HE3 MET B 175 32.747 18.003 14.370 1.00 46.84 H new ATOM 2781 N GLU B 176 35.867 17.828 8.228 1.00 57.42 N ATOM 2782 CA GLU B 176 36.391 18.010 6.867 1.00 59.11 C ATOM 2783 C GLU B 176 37.295 16.838 6.408 1.00 56.26 C ATOM 2784 O GLU B 176 37.104 16.291 5.320 1.00 58.39 O ATOM 2785 CB GLU B 176 37.088 19.375 6.735 1.00 62.84 C ATOM 2786 CG GLU B 176 36.129 20.569 6.751 1.00 66.92 C ATOM 2787 CD GLU B 176 36.831 21.924 6.830 1.00 70.33 C ATOM 2788 OE1 GLU B 176 37.939 22.079 6.261 1.00 74.69 O ATOM 2789 OE2 GLU B 176 36.270 22.849 7.463 1.00 68.71 O ATOM 0 H GLU B 176 36.185 18.384 8.802 1.00 57.42 H new ATOM 0 HA GLU B 176 35.634 18.002 6.261 1.00 59.11 H new ATOM 0 HB2 GLU B 176 37.725 19.474 7.460 1.00 62.84 H new ATOM 0 HB3 GLU B 176 37.595 19.390 5.908 1.00 62.84 H new ATOM 0 HG2 GLU B 176 35.582 20.544 5.951 1.00 66.92 H new ATOM 0 HG3 GLU B 176 35.529 20.481 7.508 1.00 66.92 H new ATOM 2790 N THR B 177 38.257 16.445 7.242 1.00 55.16 N ATOM 2791 CA THR B 177 39.035 15.214 7.021 1.00 55.82 C ATOM 2792 C THR B 177 38.124 13.994 6.772 1.00 56.10 C ATOM 2793 O THR B 177 38.363 13.229 5.837 1.00 55.62 O ATOM 2794 CB THR B 177 39.975 14.908 8.205 1.00 55.84 C ATOM 2795 OG1 THR B 177 40.753 16.069 8.515 1.00 60.73 O ATOM 2796 CG2 THR B 177 40.909 13.746 7.879 1.00 54.72 C ATOM 0 H THR B 177 38.480 16.879 7.950 1.00 55.16 H new ATOM 0 HA THR B 177 39.569 15.375 6.228 1.00 55.82 H new ATOM 0 HB THR B 177 39.430 14.660 8.968 1.00 55.84 H new ATOM 0 HG1 THR B 177 41.263 15.901 9.161 1.00 60.73 H new ATOM 0 HG21 THR B 177 41.488 13.574 8.638 1.00 54.72 H new ATOM 0 HG22 THR B 177 40.384 12.953 7.687 1.00 54.72 H new ATOM 0 HG23 THR B 177 41.449 13.972 7.105 1.00 54.72 H new ATOM 2797 N THR B 178 37.090 13.829 7.604 1.00 50.85 N ATOM 2798 CA THR B 178 36.096 12.754 7.433 1.00 48.52 C ATOM 2799 C THR B 178 35.387 12.872 6.085 1.00 47.64 C ATOM 2800 O THR B 178 35.333 11.892 5.351 1.00 50.50 O ATOM 2801 CB THR B 178 35.060 12.692 8.601 1.00 45.75 C ATOM 2802 OG1 THR B 178 35.701 12.219 9.794 1.00 40.32 O ATOM 2803 CG2 THR B 178 33.888 11.751 8.273 1.00 43.79 C ATOM 0 H THR B 178 36.943 14.335 8.283 1.00 50.85 H new ATOM 0 HA THR B 178 36.589 11.919 7.454 1.00 48.52 H new ATOM 0 HB THR B 178 34.714 13.589 8.729 1.00 45.75 H new ATOM 0 HG1 THR B 178 36.016 12.871 10.220 1.00 40.32 H new ATOM 0 HG21 THR B 178 33.266 11.737 9.017 1.00 43.79 H new ATOM 0 HG22 THR B 178 33.432 12.067 7.477 1.00 43.79 H new ATOM 0 HG23 THR B 178 34.226 10.855 8.117 1.00 43.79 H new ATOM 2804 N MET B 179 34.890 14.073 5.761 1.00 48.03 N ATOM 2805 CA MET B 179 34.134 14.348 4.525 1.00 53.05 C ATOM 2806 C MET B 179 34.884 14.087 3.193 1.00 58.69 C ATOM 2807 O MET B 179 34.294 14.213 2.113 1.00 63.00 O ATOM 2808 CB MET B 179 33.545 15.777 4.544 1.00 53.33 C ATOM 2809 CG MET B 179 32.238 15.931 5.329 1.00 54.72 C ATOM 2810 SD MET B 179 31.295 17.476 5.132 1.00 58.90 S ATOM 2811 CE MET B 179 32.381 18.685 5.899 1.00 56.50 C ATOM 0 H MET B 179 34.984 14.765 6.263 1.00 48.03 H new ATOM 0 HA MET B 179 33.422 13.689 4.535 1.00 53.05 H new ATOM 0 HB2 MET B 179 34.205 16.379 4.921 1.00 53.33 H new ATOM 0 HB3 MET B 179 33.392 16.061 3.629 1.00 53.33 H new ATOM 0 HG2 MET B 179 31.656 15.195 5.083 1.00 54.72 H new ATOM 0 HG3 MET B 179 32.444 15.827 6.271 1.00 54.72 H new ATOM 0 HE1 MET B 179 31.972 19.563 5.851 1.00 56.50 H new ATOM 0 HE2 MET B 179 32.526 18.446 6.828 1.00 56.50 H new ATOM 0 HE3 MET B 179 33.231 18.699 5.432 1.00 56.50 H new ATOM 2812 N ARG B 180 36.172 13.742 3.265 1.00 61.03 N ATOM 2813 CA ARG B 180 36.952 13.368 2.076 1.00 59.79 C ATOM 2814 C ARG B 180 38.013 12.319 2.404 1.00 59.31 C ATOM 2815 O ARG B 180 37.701 11.142 2.610 1.00 59.25 O ATOM 2816 CB ARG B 180 37.581 14.599 1.441 1.00 59.12 C ATOM 0 H ARG B 180 36.618 13.718 4.000 1.00 61.03 H new ATOM 0 HA ARG B 180 36.342 12.970 1.436 1.00 59.79 H new TER 2817 ARG B 180 ATOM 2818 N ASP C 4 29.955 33.319 -35.991 1.00 74.16 N ATOM 2819 CA ASP C 4 28.739 33.927 -36.598 1.00 74.36 C ATOM 2820 C ASP C 4 27.478 33.660 -35.763 1.00 75.78 C ATOM 2821 O ASP C 4 27.008 34.559 -35.061 1.00 80.92 O ATOM 2822 CB ASP C 4 28.563 33.423 -38.029 1.00 75.28 C ATOM 2823 CG ASP C 4 27.669 34.316 -38.863 1.00 78.33 C ATOM 2824 OD1 ASP C 4 27.907 35.546 -38.908 1.00 75.70 O ATOM 2825 OD2 ASP C 4 26.736 33.771 -39.492 1.00 78.21 O ATOM 0 HA ASP C 4 28.865 34.889 -36.613 1.00 74.36 H new ATOM 0 HB2 ASP C 4 29.433 33.357 -38.453 1.00 75.28 H new ATOM 0 HB3 ASP C 4 28.189 32.528 -38.008 1.00 75.28 H new ATOM 2826 N GLU C 5 26.954 32.431 -35.831 1.00 72.76 N ATOM 2827 CA GLU C 5 25.688 32.042 -35.172 1.00 70.48 C ATOM 2828 C GLU C 5 25.885 31.140 -33.948 1.00 66.61 C ATOM 2829 O GLU C 5 26.752 30.267 -33.960 1.00 64.36 O ATOM 2830 CB GLU C 5 24.756 31.314 -36.161 1.00 69.45 C ATOM 2831 CG GLU C 5 24.325 32.123 -37.378 1.00 73.83 C ATOM 2832 CD GLU C 5 23.497 33.352 -37.028 1.00 75.45 C ATOM 2833 OE1 GLU C 5 22.602 33.251 -36.160 1.00 77.88 O ATOM 2834 OE2 GLU C 5 23.739 34.425 -37.627 1.00 74.39 O ATOM 0 H GLU C 5 27.325 31.788 -36.266 1.00 72.76 H new ATOM 0 HA GLU C 5 25.292 32.874 -34.871 1.00 70.48 H new ATOM 0 HB2 GLU C 5 25.203 30.510 -36.469 1.00 69.45 H new ATOM 0 HB3 GLU C 5 23.961 31.031 -35.683 1.00 69.45 H new ATOM 0 HG2 GLU C 5 25.114 32.402 -37.868 1.00 73.83 H new ATOM 0 HG3 GLU C 5 23.810 31.553 -37.971 1.00 73.83 H new ATOM 2835 N LEU C 6 25.070 31.351 -32.909 1.00 62.47 N ATOM 2836 CA LEU C 6 24.969 30.423 -31.770 1.00 58.19 C ATOM 2837 C LEU C 6 23.825 29.428 -31.958 1.00 56.01 C ATOM 2838 O LEU C 6 22.660 29.797 -31.950 1.00 60.37 O ATOM 2839 CB LEU C 6 24.788 31.168 -30.447 1.00 57.00 C ATOM 2840 CG LEU C 6 26.005 31.420 -29.552 1.00 57.35 C ATOM 2841 CD1 LEU C 6 25.555 31.974 -28.209 1.00 56.06 C ATOM 2842 CD2 LEU C 6 26.810 30.151 -29.333 1.00 52.68 C ATOM 0 H LEU C 6 24.558 32.038 -32.843 1.00 62.47 H new ATOM 0 HA LEU C 6 25.806 29.934 -31.737 1.00 58.19 H new ATOM 0 HB2 LEU C 6 24.393 32.030 -30.650 1.00 57.00 H new ATOM 0 HB3 LEU C 6 24.138 30.675 -29.922 1.00 57.00 H new ATOM 0 HG LEU C 6 26.573 32.065 -30.001 1.00 57.35 H new ATOM 0 HD11 LEU C 6 26.330 32.131 -27.647 1.00 56.06 H new ATOM 0 HD12 LEU C 6 25.081 32.809 -28.346 1.00 56.06 H new ATOM 0 HD13 LEU C 6 24.967 31.336 -27.776 1.00 56.06 H new ATOM 0 HD21 LEU C 6 27.571 30.345 -28.764 1.00 52.68 H new ATOM 0 HD22 LEU C 6 26.251 29.482 -28.908 1.00 52.68 H new ATOM 0 HD23 LEU C 6 27.123 29.815 -30.187 1.00 52.68 H new ATOM 2843 N VAL C 7 24.173 28.162 -32.133 1.00 53.02 N ATOM 2844 CA VAL C 7 23.198 27.109 -32.379 1.00 49.56 C ATOM 2845 C VAL C 7 23.063 26.201 -31.141 1.00 51.48 C ATOM 2846 O VAL C 7 24.065 25.755 -30.560 1.00 48.87 O ATOM 2847 CB VAL C 7 23.598 26.282 -33.621 1.00 49.54 C ATOM 2848 CG1 VAL C 7 22.676 25.085 -33.815 1.00 52.38 C ATOM 2849 CG2 VAL C 7 23.612 27.159 -34.871 1.00 51.15 C ATOM 0 H VAL C 7 24.987 27.887 -32.112 1.00 53.02 H new ATOM 0 HA VAL C 7 22.336 27.520 -32.551 1.00 49.56 H new ATOM 0 HB VAL C 7 24.494 25.942 -33.472 1.00 49.54 H new ATOM 0 HG11 VAL C 7 22.952 24.587 -34.600 1.00 52.38 H new ATOM 0 HG12 VAL C 7 22.723 24.510 -33.035 1.00 52.38 H new ATOM 0 HG13 VAL C 7 21.764 25.394 -33.933 1.00 52.38 H new ATOM 0 HG21 VAL C 7 23.865 26.624 -35.639 1.00 51.15 H new ATOM 0 HG22 VAL C 7 22.728 27.533 -35.014 1.00 51.15 H new ATOM 0 HG23 VAL C 7 24.252 27.879 -34.754 1.00 51.15 H new ATOM 2850 N TYR C 8 21.820 25.945 -30.742 1.00 47.81 N ATOM 2851 CA TYR C 8 21.517 25.005 -29.665 1.00 46.72 C ATOM 2852 C TYR C 8 21.415 23.590 -30.191 1.00 46.22 C ATOM 2853 O TYR C 8 20.987 23.335 -31.323 1.00 51.86 O ATOM 2854 CB TYR C 8 20.297 25.466 -28.874 1.00 47.11 C ATOM 2855 CG TYR C 8 20.606 26.800 -28.218 1.00 49.92 C ATOM 2856 CD1 TYR C 8 21.282 26.849 -27.006 1.00 46.19 C ATOM 2857 CD2 TYR C 8 20.295 28.016 -28.852 1.00 53.67 C ATOM 2858 CE1 TYR C 8 21.602 28.055 -26.410 1.00 49.78 C ATOM 2859 CE2 TYR C 8 20.615 29.240 -28.263 1.00 51.23 C ATOM 2860 CZ TYR C 8 21.266 29.250 -27.039 1.00 52.18 C ATOM 2861 OH TYR C 8 21.596 30.443 -26.421 1.00 57.28 O ATOM 0 H TYR C 8 21.125 26.313 -31.090 1.00 47.81 H new ATOM 0 HA TYR C 8 22.253 24.994 -29.033 1.00 46.72 H new ATOM 0 HB2 TYR C 8 19.530 25.552 -29.462 1.00 47.11 H new ATOM 0 HB3 TYR C 8 20.066 24.807 -28.200 1.00 47.11 H new ATOM 0 HD1 TYR C 8 21.524 26.055 -26.587 1.00 46.19 H new ATOM 0 HD2 TYR C 8 19.869 28.004 -29.678 1.00 53.67 H new ATOM 0 HE1 TYR C 8 22.041 28.067 -25.590 1.00 49.78 H new ATOM 0 HE2 TYR C 8 20.394 30.038 -28.686 1.00 51.23 H new ATOM 0 HH TYR C 8 21.342 31.086 -26.898 1.00 57.28 H new ATOM 2862 N LEU C 9 21.877 22.670 -29.372 1.00 43.39 N ATOM 2863 CA LEU C 9 22.207 21.349 -29.846 1.00 40.94 C ATOM 2864 C LEU C 9 21.375 20.267 -29.145 1.00 40.00 C ATOM 2865 O LEU C 9 21.908 19.206 -28.786 1.00 37.47 O ATOM 2866 CB LEU C 9 23.708 21.100 -29.654 1.00 40.30 C ATOM 2867 CG LEU C 9 24.696 22.031 -30.374 1.00 42.06 C ATOM 2868 CD1 LEU C 9 26.075 21.794 -29.806 1.00 42.75 C ATOM 2869 CD2 LEU C 9 24.715 21.811 -31.867 1.00 38.95 C ATOM 0 H LEU C 9 22.007 22.793 -28.531 1.00 43.39 H new ATOM 0 HA LEU C 9 21.992 21.298 -30.790 1.00 40.94 H new ATOM 0 HB2 LEU C 9 23.897 21.145 -28.704 1.00 40.30 H new ATOM 0 HB3 LEU C 9 23.896 20.192 -29.937 1.00 40.30 H new ATOM 0 HG LEU C 9 24.411 22.947 -30.228 1.00 42.06 H new ATOM 0 HD11 LEU C 9 26.712 22.375 -30.250 1.00 42.75 H new ATOM 0 HD12 LEU C 9 26.071 21.986 -28.855 1.00 42.75 H new ATOM 0 HD13 LEU C 9 26.329 20.868 -29.947 1.00 42.75 H new ATOM 0 HD21 LEU C 9 25.351 22.419 -32.276 1.00 38.95 H new ATOM 0 HD22 LEU C 9 24.976 20.896 -32.056 1.00 38.95 H new ATOM 0 HD23 LEU C 9 23.831 21.977 -32.230 1.00 38.95 H new ATOM 2870 N LEU C 10 20.080 20.545 -28.949 1.00 35.28 N ATOM 2871 CA LEU C 10 19.137 19.499 -28.512 1.00 33.90 C ATOM 2872 C LEU C 10 18.836 18.557 -29.676 1.00 33.01 C ATOM 2873 O LEU C 10 18.799 18.992 -30.821 1.00 35.18 O ATOM 2874 CB LEU C 10 17.823 20.109 -27.990 1.00 31.28 C ATOM 2875 CG LEU C 10 17.925 21.126 -26.851 1.00 29.78 C ATOM 2876 CD1 LEU C 10 16.529 21.560 -26.423 1.00 27.79 C ATOM 2877 CD2 LEU C 10 18.748 20.581 -25.670 1.00 27.89 C ATOM 0 H LEU C 10 19.729 21.322 -29.061 1.00 35.28 H new ATOM 0 HA LEU C 10 19.551 19.006 -27.787 1.00 33.90 H new ATOM 0 HB2 LEU C 10 17.374 20.537 -28.736 1.00 31.28 H new ATOM 0 HB3 LEU C 10 17.252 19.383 -27.694 1.00 31.28 H new ATOM 0 HG LEU C 10 18.402 21.906 -27.174 1.00 29.78 H new ATOM 0 HD11 LEU C 10 16.597 22.204 -25.701 1.00 27.79 H new ATOM 0 HD12 LEU C 10 16.071 21.966 -27.176 1.00 27.79 H new ATOM 0 HD13 LEU C 10 16.028 20.787 -26.119 1.00 27.79 H new ATOM 0 HD21 LEU C 10 18.791 21.250 -24.969 1.00 27.89 H new ATOM 0 HD22 LEU C 10 18.326 19.779 -25.325 1.00 27.89 H new ATOM 0 HD23 LEU C 10 19.646 20.370 -25.971 1.00 27.89 H new ATOM 2878 N ASP C 11 18.637 17.271 -29.393 1.00 30.69 N ATOM 2879 CA ASP C 11 18.171 16.346 -30.423 1.00 28.48 C ATOM 2880 C ASP C 11 16.745 15.882 -30.114 1.00 27.05 C ATOM 2881 O ASP C 11 16.182 16.225 -29.046 1.00 25.19 O ATOM 2882 CB ASP C 11 19.129 15.153 -30.587 1.00 28.54 C ATOM 2883 CG ASP C 11 19.200 14.638 -32.045 1.00 32.96 C ATOM 2884 OD1 ASP C 11 18.250 14.835 -32.860 1.00 30.62 O ATOM 2885 OD2 ASP C 11 20.220 13.998 -32.380 1.00 37.71 O ATOM 0 H ASP C 11 18.764 16.917 -28.619 1.00 30.69 H new ATOM 0 HA ASP C 11 18.160 16.817 -31.271 1.00 28.48 H new ATOM 0 HB2 ASP C 11 20.017 15.414 -30.297 1.00 28.54 H new ATOM 0 HB3 ASP C 11 18.842 14.431 -30.007 1.00 28.54 H new ATOM 2886 N GLY C 12 16.151 15.127 -31.044 1.00 24.48 N ATOM 2887 CA GLY C 12 14.880 14.441 -30.791 1.00 24.14 C ATOM 2888 C GLY C 12 14.929 13.531 -29.566 1.00 25.56 C ATOM 2889 O GLY C 12 16.006 13.284 -29.000 1.00 26.25 O ATOM 0 H GLY C 12 16.471 14.999 -31.832 1.00 24.48 H new ATOM 0 HA2 GLY C 12 14.180 15.101 -30.670 1.00 24.14 H new ATOM 0 HA3 GLY C 12 14.641 13.914 -31.570 1.00 24.14 H new ATOM 2890 N PRO C 13 13.769 12.988 -29.163 1.00 24.88 N ATOM 2891 CA PRO C 13 13.702 12.149 -27.963 1.00 24.37 C ATOM 2892 C PRO C 13 14.355 10.772 -28.098 1.00 23.59 C ATOM 2893 O PRO C 13 14.420 10.214 -29.189 1.00 24.31 O ATOM 2894 CB PRO C 13 12.183 11.984 -27.717 1.00 25.10 C ATOM 2895 CG PRO C 13 11.487 12.405 -28.989 1.00 24.75 C ATOM 2896 CD PRO C 13 12.518 12.950 -29.957 1.00 24.75 C ATOM 0 HA PRO C 13 14.194 12.569 -27.240 1.00 24.37 H new ATOM 0 HB2 PRO C 13 11.968 11.064 -27.496 1.00 25.10 H new ATOM 0 HB3 PRO C 13 11.894 12.531 -26.970 1.00 25.10 H new ATOM 0 HG2 PRO C 13 11.023 11.650 -29.383 1.00 24.75 H new ATOM 0 HG3 PRO C 13 10.817 13.080 -28.797 1.00 24.75 H new ATOM 0 HD2 PRO C 13 12.609 12.380 -30.737 1.00 24.75 H new ATOM 0 HD3 PRO C 13 12.273 13.832 -30.277 1.00 24.75 H new ATOM 2897 N GLY C 14 14.829 10.221 -26.981 1.00 22.31 N ATOM 2898 CA GLY C 14 15.378 8.875 -26.976 1.00 21.52 C ATOM 2899 C GLY C 14 16.886 8.813 -27.122 1.00 21.74 C ATOM 2900 O GLY C 14 17.540 9.789 -27.510 1.00 20.78 O ATOM 0 H GLY C 14 14.840 10.614 -26.216 1.00 22.31 H new ATOM 0 HA2 GLY C 14 15.126 8.438 -26.148 1.00 21.52 H new ATOM 0 HA3 GLY C 14 14.973 8.370 -27.698 1.00 21.52 H new ATOM 2901 N TYR C 15 17.440 7.651 -26.787 1.00 22.48 N ATOM 2902 CA TYR C 15 18.873 7.404 -26.893 1.00 22.53 C ATOM 2903 C TYR C 15 19.398 7.653 -28.303 1.00 24.24 C ATOM 2904 O TYR C 15 20.422 8.328 -28.500 1.00 22.65 O ATOM 2905 CB TYR C 15 19.190 5.967 -26.465 1.00 21.64 C ATOM 2906 CG TYR C 15 20.656 5.654 -26.588 1.00 23.47 C ATOM 2907 CD1 TYR C 15 21.568 6.075 -25.613 1.00 22.35 C ATOM 2908 CD2 TYR C 15 21.142 4.996 -27.706 1.00 22.43 C ATOM 2909 CE1 TYR C 15 22.900 5.797 -25.739 1.00 22.71 C ATOM 2910 CE2 TYR C 15 22.471 4.687 -27.829 1.00 22.22 C ATOM 2911 CZ TYR C 15 23.349 5.095 -26.865 1.00 23.37 C ATOM 2912 OH TYR C 15 24.684 4.804 -27.022 1.00 21.92 O ATOM 0 H TYR C 15 16.991 6.980 -26.490 1.00 22.48 H new ATOM 0 HA TYR C 15 19.319 8.029 -26.301 1.00 22.53 H new ATOM 0 HB2 TYR C 15 18.907 5.834 -25.547 1.00 21.64 H new ATOM 0 HB3 TYR C 15 18.681 5.348 -27.011 1.00 21.64 H new ATOM 0 HD1 TYR C 15 21.264 6.548 -24.872 1.00 22.35 H new ATOM 0 HD2 TYR C 15 20.554 4.759 -28.387 1.00 22.43 H new ATOM 0 HE1 TYR C 15 23.502 6.071 -25.085 1.00 22.71 H new ATOM 0 HE2 TYR C 15 22.773 4.203 -28.563 1.00 22.22 H new ATOM 0 HH TYR C 15 25.142 5.319 -26.542 1.00 21.92 H new ATOM 2913 N ASP C 16 18.710 7.106 -29.291 1.00 27.19 N ATOM 2914 CA ASP C 16 19.115 7.372 -30.673 1.00 35.88 C ATOM 2915 C ASP C 16 17.915 7.886 -31.449 1.00 35.10 C ATOM 2916 O ASP C 16 17.081 7.096 -31.906 1.00 37.93 O ATOM 2917 CB ASP C 16 19.739 6.136 -31.338 1.00 41.13 C ATOM 2918 CG ASP C 16 20.670 6.499 -32.497 1.00 45.89 C ATOM 2919 OD1 ASP C 16 21.090 7.677 -32.603 1.00 47.35 O ATOM 2920 OD2 ASP C 16 20.992 5.604 -33.301 1.00 45.61 O ATOM 0 H ASP C 16 18.026 6.593 -29.196 1.00 27.19 H new ATOM 0 HA ASP C 16 19.807 8.051 -30.673 1.00 35.88 H new ATOM 0 HB2 ASP C 16 20.235 5.632 -30.674 1.00 41.13 H new ATOM 0 HB3 ASP C 16 19.032 5.557 -31.664 1.00 41.13 H new ATOM 2921 N PRO C 17 17.800 9.216 -31.555 1.00 34.55 N ATOM 2922 CA PRO C 17 16.572 9.822 -32.077 1.00 37.67 C ATOM 2923 C PRO C 17 16.347 9.529 -33.564 1.00 39.89 C ATOM 2924 O PRO C 17 17.300 9.555 -34.358 1.00 33.91 O ATOM 2925 CB PRO C 17 16.800 11.323 -31.867 1.00 37.26 C ATOM 2926 CG PRO C 17 18.041 11.450 -31.035 1.00 34.50 C ATOM 2927 CD PRO C 17 18.841 10.220 -31.287 1.00 34.21 C ATOM 0 HA PRO C 17 15.786 9.471 -31.630 1.00 37.67 H new ATOM 0 HB2 PRO C 17 16.905 11.779 -32.717 1.00 37.26 H new ATOM 0 HB3 PRO C 17 16.041 11.729 -31.420 1.00 37.26 H new ATOM 0 HG2 PRO C 17 18.541 12.244 -31.279 1.00 34.50 H new ATOM 0 HG3 PRO C 17 17.820 11.532 -30.094 1.00 34.50 H new ATOM 0 HD2 PRO C 17 19.442 10.328 -32.041 1.00 34.21 H new ATOM 0 HD3 PRO C 17 19.386 9.980 -30.521 1.00 34.21 H new ATOM 2928 N ILE C 18 15.092 9.259 -33.915 1.00 48.03 N ATOM 2929 CA ILE C 18 14.678 9.016 -35.304 1.00 59.50 C ATOM 2930 C ILE C 18 14.534 10.365 -36.015 1.00 67.38 C ATOM 2931 O ILE C 18 13.837 11.247 -35.515 1.00 72.69 O ATOM 2932 CB ILE C 18 13.336 8.229 -35.359 1.00 60.66 C ATOM 2933 CG1 ILE C 18 13.428 6.932 -34.532 1.00 60.48 C ATOM 2934 CG2 ILE C 18 12.933 7.928 -36.803 1.00 60.57 C ATOM 2935 CD1 ILE C 18 12.091 6.336 -34.125 1.00 61.48 C ATOM 0 H ILE C 18 14.446 9.210 -33.349 1.00 48.03 H new ATOM 0 HA ILE C 18 15.351 8.477 -35.749 1.00 59.50 H new ATOM 0 HB ILE C 18 12.646 8.788 -34.969 1.00 60.66 H new ATOM 0 HG12 ILE C 18 13.919 6.271 -35.045 1.00 60.48 H new ATOM 0 HG13 ILE C 18 13.945 7.111 -33.731 1.00 60.48 H new ATOM 0 HG21 ILE C 18 12.096 7.438 -36.810 1.00 60.57 H new ATOM 0 HG22 ILE C 18 12.824 8.760 -37.289 1.00 60.57 H new ATOM 0 HG23 ILE C 18 13.623 7.394 -37.227 1.00 60.57 H new ATOM 0 HD11 ILE C 18 12.240 5.527 -33.611 1.00 61.48 H new ATOM 0 HD12 ILE C 18 11.602 6.976 -33.585 1.00 61.48 H new ATOM 0 HD13 ILE C 18 11.576 6.124 -34.919 1.00 61.48 H new ATOM 2936 N HIS C 19 15.192 10.538 -37.161 1.00 74.18 N ATOM 2937 CA HIS C 19 15.122 11.819 -37.886 1.00 81.15 C ATOM 2938 C HIS C 19 14.062 11.887 -38.952 1.00 81.26 C ATOM 2939 O HIS C 19 14.190 11.283 -40.018 1.00 87.27 O ATOM 2940 CB HIS C 19 16.486 12.203 -38.446 1.00 86.21 C ATOM 2941 CG HIS C 19 17.398 12.824 -37.423 1.00 93.65 C ATOM 2942 ND1 HIS C 19 18.045 12.094 -36.494 1.00 96.57 N ATOM 2943 CD2 HIS C 19 17.746 14.154 -37.192 1.00 96.16 C ATOM 2944 CE1 HIS C 19 18.778 12.910 -35.713 1.00 97.08 C ATOM 2945 NE2 HIS C 19 18.593 14.172 -36.142 1.00100.61 N ATOM 0 H HIS C 19 15.680 9.937 -37.536 1.00 74.18 H new ATOM 0 HA HIS C 19 14.851 12.471 -37.221 1.00 81.15 H new ATOM 0 HB2 HIS C 19 16.912 11.412 -38.812 1.00 86.21 H new ATOM 0 HB3 HIS C 19 16.363 12.825 -39.180 1.00 86.21 H new ATOM 0 HD2 HIS C 19 17.449 14.893 -37.673 1.00 96.16 H new ATOM 0 HE1 HIS C 19 19.317 12.648 -35.002 1.00 97.08 H new ATOM 0 HE2 HIS C 19 18.955 14.874 -35.803 1.00100.61 H new TER 2946 HIS C 19 ATOM 2947 N ASP D 4 42.663 12.194 37.855 1.00 71.36 N ATOM 2948 CA ASP D 4 41.543 12.684 36.988 1.00 72.09 C ATOM 2949 C ASP D 4 40.703 11.554 36.365 1.00 75.04 C ATOM 2950 O ASP D 4 41.076 10.374 36.426 1.00 76.63 O ATOM 2951 CB ASP D 4 42.065 13.657 35.912 1.00 65.88 C ATOM 2952 CG ASP D 4 42.043 15.115 36.379 1.00 67.40 C ATOM 2953 OD1 ASP D 4 42.359 15.383 37.567 1.00 63.61 O ATOM 2954 OD2 ASP D 4 41.696 15.998 35.562 1.00 60.20 O ATOM 0 HA ASP D 4 40.938 13.165 37.574 1.00 72.09 H new ATOM 0 HB2 ASP D 4 42.972 13.411 35.671 1.00 65.88 H new ATOM 0 HB3 ASP D 4 41.525 13.569 35.111 1.00 65.88 H new ATOM 2955 N GLU D 5 39.576 11.940 35.766 1.00 71.75 N ATOM 2956 CA GLU D 5 38.575 11.006 35.241 1.00 69.93 C ATOM 2957 C GLU D 5 37.971 11.556 33.946 1.00 72.34 C ATOM 2958 O GLU D 5 37.613 12.744 33.870 1.00 72.77 O ATOM 2959 CB GLU D 5 37.474 10.777 36.284 1.00 66.12 C ATOM 2960 CG GLU D 5 37.111 12.053 37.056 1.00 65.73 C ATOM 2961 CD GLU D 5 35.732 11.995 37.709 1.00 68.32 C ATOM 2962 OE1 GLU D 5 35.182 10.870 37.830 1.00 65.15 O ATOM 2963 OE2 GLU D 5 35.204 13.080 38.096 1.00 61.78 O ATOM 0 H GLU D 5 39.367 12.766 35.651 1.00 71.75 H new ATOM 0 HA GLU D 5 39.005 10.158 35.049 1.00 69.93 H new ATOM 0 HB2 GLU D 5 36.681 10.435 35.842 1.00 66.12 H new ATOM 0 HB3 GLU D 5 37.765 10.096 36.911 1.00 66.12 H new ATOM 0 HG2 GLU D 5 37.780 12.210 37.741 1.00 65.73 H new ATOM 0 HG3 GLU D 5 37.143 12.810 36.450 1.00 65.73 H new ATOM 2964 N LEU D 6 37.866 10.693 32.934 1.00 69.85 N ATOM 2965 CA LEU D 6 37.359 11.091 31.618 1.00 65.59 C ATOM 2966 C LEU D 6 35.931 10.579 31.408 1.00 62.65 C ATOM 2967 O LEU D 6 35.714 9.385 31.220 1.00 62.10 O ATOM 2968 CB LEU D 6 38.298 10.606 30.509 1.00 62.93 C ATOM 2969 CG LEU D 6 38.375 11.471 29.246 1.00 61.97 C ATOM 2970 CD1 LEU D 6 39.782 11.443 28.669 1.00 61.07 C ATOM 2971 CD2 LEU D 6 37.353 11.056 28.201 1.00 60.47 C ATOM 0 H LEU D 6 38.086 9.863 32.990 1.00 69.85 H new ATOM 0 HA LEU D 6 37.331 12.060 31.579 1.00 65.59 H new ATOM 0 HB2 LEU D 6 39.191 10.531 30.880 1.00 62.93 H new ATOM 0 HB3 LEU D 6 38.023 9.713 30.248 1.00 62.93 H new ATOM 0 HG LEU D 6 38.160 12.381 29.504 1.00 61.97 H new ATOM 0 HD11 LEU D 6 39.816 11.994 27.871 1.00 61.07 H new ATOM 0 HD12 LEU D 6 40.408 11.787 29.325 1.00 61.07 H new ATOM 0 HD13 LEU D 6 40.021 10.531 28.442 1.00 61.07 H new ATOM 0 HD21 LEU D 6 37.437 11.627 27.422 1.00 60.47 H new ATOM 0 HD22 LEU D 6 37.509 10.134 27.944 1.00 60.47 H new ATOM 0 HD23 LEU D 6 36.460 11.141 28.570 1.00 60.47 H new ATOM 2972 N VAL D 7 34.973 11.506 31.431 1.00 57.13 N ATOM 2973 CA VAL D 7 33.550 11.185 31.517 1.00 53.22 C ATOM 2974 C VAL D 7 32.794 11.410 30.193 1.00 51.88 C ATOM 2975 O VAL D 7 32.963 12.429 29.520 1.00 44.64 O ATOM 2976 CB VAL D 7 32.879 11.998 32.653 1.00 56.59 C ATOM 2977 CG1 VAL D 7 31.442 11.539 32.884 1.00 54.12 C ATOM 2978 CG2 VAL D 7 33.688 11.897 33.947 1.00 54.41 C ATOM 0 H VAL D 7 35.135 12.350 31.397 1.00 57.13 H new ATOM 0 HA VAL D 7 33.496 10.237 31.714 1.00 53.22 H new ATOM 0 HB VAL D 7 32.858 12.928 32.377 1.00 56.59 H new ATOM 0 HG11 VAL D 7 31.046 12.062 33.598 1.00 54.12 H new ATOM 0 HG12 VAL D 7 30.928 11.662 32.070 1.00 54.12 H new ATOM 0 HG13 VAL D 7 31.437 10.601 33.130 1.00 54.12 H new ATOM 0 HG21 VAL D 7 33.251 12.412 34.643 1.00 54.41 H new ATOM 0 HG22 VAL D 7 33.746 10.968 34.221 1.00 54.41 H new ATOM 0 HG23 VAL D 7 34.581 12.247 33.799 1.00 54.41 H new ATOM 2979 N TYR D 8 31.961 10.439 29.830 1.00 48.77 N ATOM 2980 CA TYR D 8 31.111 10.544 28.652 1.00 46.18 C ATOM 2981 C TYR D 8 29.769 11.019 29.132 1.00 45.21 C ATOM 2982 O TYR D 8 29.395 10.774 30.274 1.00 45.81 O ATOM 2983 CB TYR D 8 31.056 9.204 27.928 1.00 48.37 C ATOM 2984 CG TYR D 8 32.448 8.827 27.475 1.00 50.11 C ATOM 2985 CD1 TYR D 8 33.315 8.123 28.322 1.00 50.36 C ATOM 2986 CD2 TYR D 8 32.930 9.249 26.233 1.00 51.35 C ATOM 2987 CE1 TYR D 8 34.605 7.811 27.923 1.00 52.69 C ATOM 2988 CE2 TYR D 8 34.218 8.940 25.820 1.00 52.68 C ATOM 2989 CZ TYR D 8 35.050 8.223 26.669 1.00 55.83 C ATOM 2990 OH TYR D 8 36.330 7.918 26.262 1.00 62.24 O ATOM 0 H TYR D 8 31.874 9.700 30.262 1.00 48.77 H new ATOM 0 HA TYR D 8 31.455 11.176 28.002 1.00 46.18 H new ATOM 0 HB2 TYR D 8 30.699 8.520 28.517 1.00 48.37 H new ATOM 0 HB3 TYR D 8 30.460 9.261 27.165 1.00 48.37 H new ATOM 0 HD1 TYR D 8 33.020 7.861 29.164 1.00 50.36 H new ATOM 0 HD2 TYR D 8 32.378 9.746 25.673 1.00 51.35 H new ATOM 0 HE1 TYR D 8 35.168 7.331 28.487 1.00 52.69 H new ATOM 0 HE2 TYR D 8 34.521 9.210 24.983 1.00 52.68 H new ATOM 0 HH TYR D 8 36.460 8.226 25.491 1.00 62.24 H new ATOM 2991 N LEU D 9 29.058 11.755 28.300 1.00 41.99 N ATOM 2992 CA LEU D 9 27.939 12.504 28.840 1.00 40.91 C ATOM 2993 C LEU D 9 26.597 12.145 28.218 1.00 38.43 C ATOM 2994 O LEU D 9 25.848 13.003 27.766 1.00 38.41 O ATOM 2995 CB LEU D 9 28.241 14.005 28.806 1.00 42.91 C ATOM 2996 CG LEU D 9 29.344 14.322 29.828 1.00 46.09 C ATOM 2997 CD1 LEU D 9 29.908 15.694 29.566 1.00 47.37 C ATOM 2998 CD2 LEU D 9 28.848 14.206 31.272 1.00 48.11 C ATOM 0 H LEU D 9 29.196 11.835 27.455 1.00 41.99 H new ATOM 0 HA LEU D 9 27.839 12.241 29.768 1.00 40.91 H new ATOM 0 HB2 LEU D 9 28.524 14.269 27.916 1.00 42.91 H new ATOM 0 HB3 LEU D 9 27.440 14.512 29.011 1.00 42.91 H new ATOM 0 HG LEU D 9 30.045 13.661 29.719 1.00 46.09 H new ATOM 0 HD11 LEU D 9 30.603 15.888 30.214 1.00 47.37 H new ATOM 0 HD12 LEU D 9 30.283 15.725 28.672 1.00 47.37 H new ATOM 0 HD13 LEU D 9 29.202 16.355 29.643 1.00 47.37 H new ATOM 0 HD21 LEU D 9 29.574 14.414 31.881 1.00 48.11 H new ATOM 0 HD22 LEU D 9 28.118 14.829 31.415 1.00 48.11 H new ATOM 0 HD23 LEU D 9 28.537 13.302 31.436 1.00 48.11 H new ATOM 2999 N LEU D 10 26.303 10.851 28.220 1.00 34.47 N ATOM 3000 CA LEU D 10 25.038 10.382 27.705 1.00 32.22 C ATOM 3001 C LEU D 10 24.065 10.447 28.855 1.00 31.68 C ATOM 3002 O LEU D 10 24.470 10.324 30.002 1.00 35.44 O ATOM 3003 CB LEU D 10 25.172 8.958 27.163 1.00 31.20 C ATOM 3004 CG LEU D 10 26.209 8.747 26.044 1.00 29.90 C ATOM 3005 CD1 LEU D 10 26.302 7.275 25.663 1.00 28.79 C ATOM 3006 CD2 LEU D 10 25.903 9.597 24.816 1.00 30.43 C ATOM 0 H LEU D 10 26.824 10.234 28.515 1.00 34.47 H new ATOM 0 HA LEU D 10 24.730 10.927 26.964 1.00 32.22 H new ATOM 0 HB2 LEU D 10 25.398 8.371 27.902 1.00 31.20 H new ATOM 0 HB3 LEU D 10 24.305 8.676 26.832 1.00 31.20 H new ATOM 0 HG LEU D 10 27.068 9.034 26.392 1.00 29.90 H new ATOM 0 HD11 LEU D 10 26.959 7.164 24.958 1.00 28.79 H new ATOM 0 HD12 LEU D 10 26.569 6.756 26.438 1.00 28.79 H new ATOM 0 HD13 LEU D 10 25.437 6.966 25.350 1.00 28.79 H new ATOM 0 HD21 LEU D 10 26.576 9.437 24.136 1.00 30.43 H new ATOM 0 HD22 LEU D 10 25.029 9.360 24.468 1.00 30.43 H new ATOM 0 HD23 LEU D 10 25.909 10.535 25.062 1.00 30.43 H new ATOM 3007 N ASP D 11 22.797 10.701 28.558 1.00 28.87 N ATOM 3008 CA ASP D 11 21.757 10.615 29.567 1.00 28.56 C ATOM 3009 C ASP D 11 20.803 9.467 29.217 1.00 26.65 C ATOM 3010 O ASP D 11 20.976 8.799 28.189 1.00 25.66 O ATOM 3011 CB ASP D 11 21.025 11.962 29.716 1.00 29.80 C ATOM 3012 CG ASP D 11 20.423 12.162 31.126 1.00 35.64 C ATOM 3013 OD1 ASP D 11 20.571 11.277 32.001 1.00 35.82 O ATOM 3014 OD2 ASP D 11 19.780 13.209 31.369 1.00 40.14 O ATOM 0 H ASP D 11 22.520 10.925 27.775 1.00 28.87 H new ATOM 0 HA ASP D 11 22.155 10.422 30.430 1.00 28.56 H new ATOM 0 HB2 ASP D 11 21.644 12.685 29.527 1.00 29.80 H new ATOM 0 HB3 ASP D 11 20.317 12.016 29.056 1.00 29.80 H new ATOM 3015 N GLY D 12 19.815 9.222 30.078 1.00 26.59 N ATOM 3016 CA GLY D 12 18.774 8.234 29.807 1.00 24.39 C ATOM 3017 C GLY D 12 17.946 8.655 28.606 1.00 24.65 C ATOM 3018 O GLY D 12 18.139 9.751 28.075 1.00 24.88 O ATOM 0 H GLY D 12 19.731 9.624 30.834 1.00 26.59 H new ATOM 0 HA2 GLY D 12 19.177 7.367 29.642 1.00 24.39 H new ATOM 0 HA3 GLY D 12 18.202 8.137 30.584 1.00 24.39 H new ATOM 3019 N PRO D 13 17.009 7.797 28.178 1.00 25.24 N ATOM 3020 CA PRO D 13 16.215 8.037 26.972 1.00 23.62 C ATOM 3021 C PRO D 13 15.175 9.173 27.102 1.00 24.34 C ATOM 3022 O PRO D 13 14.678 9.448 28.191 1.00 25.51 O ATOM 3023 CB PRO D 13 15.525 6.687 26.738 1.00 25.26 C ATOM 3024 CG PRO D 13 15.422 6.058 28.117 1.00 25.12 C ATOM 3025 CD PRO D 13 16.608 6.557 28.894 1.00 25.34 C ATOM 0 HA PRO D 13 16.777 8.336 26.240 1.00 23.62 H new ATOM 0 HB2 PRO D 13 14.649 6.804 26.339 1.00 25.26 H new ATOM 0 HB3 PRO D 13 16.040 6.129 26.134 1.00 25.26 H new ATOM 0 HG2 PRO D 13 14.592 6.310 28.552 1.00 25.12 H new ATOM 0 HG3 PRO D 13 15.429 5.090 28.058 1.00 25.12 H new ATOM 0 HD2 PRO D 13 16.376 6.739 29.818 1.00 25.34 H new ATOM 0 HD3 PRO D 13 17.326 5.905 28.905 1.00 25.34 H new ATOM 3026 N GLY D 14 14.875 9.844 25.994 1.00 23.72 N ATOM 3027 CA GLY D 14 13.799 10.838 25.962 1.00 23.88 C ATOM 3028 C GLY D 14 14.314 12.253 26.126 1.00 25.01 C ATOM 3029 O GLY D 14 15.476 12.463 26.471 1.00 23.32 O ATOM 0 H GLY D 14 15.284 9.739 25.245 1.00 23.72 H new ATOM 0 HA2 GLY D 14 13.321 10.766 25.121 1.00 23.88 H new ATOM 0 HA3 GLY D 14 13.162 10.644 26.668 1.00 23.88 H new ATOM 3030 N TYR D 15 13.433 13.221 25.905 1.00 24.23 N ATOM 3031 CA TYR D 15 13.806 14.614 26.006 1.00 25.69 C ATOM 3032 C TYR D 15 14.217 14.998 27.416 1.00 27.20 C ATOM 3033 O TYR D 15 15.259 15.628 27.609 1.00 25.94 O ATOM 3034 CB TYR D 15 12.667 15.502 25.511 1.00 23.96 C ATOM 3035 CG TYR D 15 12.976 16.952 25.653 1.00 23.74 C ATOM 3036 CD1 TYR D 15 13.803 17.597 24.737 1.00 22.79 C ATOM 3037 CD2 TYR D 15 12.453 17.691 26.719 1.00 24.51 C ATOM 3038 CE1 TYR D 15 14.093 18.941 24.865 1.00 22.63 C ATOM 3039 CE2 TYR D 15 12.714 19.045 26.851 1.00 23.17 C ATOM 3040 CZ TYR D 15 13.545 19.664 25.935 1.00 23.91 C ATOM 3041 OH TYR D 15 13.822 21.001 26.071 1.00 21.61 O ATOM 0 H TYR D 15 12.610 13.086 25.694 1.00 24.23 H new ATOM 0 HA TYR D 15 14.582 14.751 25.440 1.00 25.69 H new ATOM 0 HB2 TYR D 15 12.486 15.302 24.579 1.00 23.96 H new ATOM 0 HB3 TYR D 15 11.860 15.296 26.008 1.00 23.96 H new ATOM 0 HD1 TYR D 15 14.165 17.116 24.029 1.00 22.79 H new ATOM 0 HD2 TYR D 15 11.920 17.265 27.351 1.00 24.51 H new ATOM 0 HE1 TYR D 15 14.646 19.363 24.248 1.00 22.63 H new ATOM 0 HE2 TYR D 15 12.335 19.532 27.547 1.00 23.17 H new ATOM 0 HH TYR D 15 13.429 21.301 26.750 1.00 21.61 H new ATOM 3042 N ASP D 16 13.402 14.594 28.383 1.00 31.54 N ATOM 3043 CA ASP D 16 13.676 14.803 29.803 1.00 38.79 C ATOM 3044 C ASP D 16 13.768 13.451 30.517 1.00 39.76 C ATOM 3045 O ASP D 16 12.744 12.880 30.913 1.00 42.48 O ATOM 3046 CB ASP D 16 12.561 15.632 30.437 1.00 45.24 C ATOM 3047 CG ASP D 16 12.860 16.000 31.872 1.00 50.06 C ATOM 3048 OD1 ASP D 16 14.064 16.076 32.232 1.00 49.54 O ATOM 3049 OD2 ASP D 16 11.884 16.213 32.633 1.00 55.27 O ATOM 0 H ASP D 16 12.661 14.184 28.232 1.00 31.54 H new ATOM 0 HA ASP D 16 14.518 15.277 29.892 1.00 38.79 H new ATOM 0 HB2 ASP D 16 12.429 16.441 29.919 1.00 45.24 H new ATOM 0 HB3 ASP D 16 11.730 15.133 30.400 1.00 45.24 H new ATOM 3050 N PRO D 17 14.987 12.921 30.666 1.00 37.84 N ATOM 3051 CA PRO D 17 15.140 11.557 31.189 1.00 40.95 C ATOM 3052 C PRO D 17 14.766 11.425 32.666 1.00 40.60 C ATOM 3053 O PRO D 17 15.064 12.313 33.465 1.00 38.42 O ATOM 3054 CB PRO D 17 16.638 11.261 30.971 1.00 38.85 C ATOM 3055 CG PRO D 17 17.075 12.257 29.938 1.00 37.18 C ATOM 3056 CD PRO D 17 16.274 13.489 30.248 1.00 36.43 C ATOM 0 HA PRO D 17 14.545 10.935 30.741 1.00 40.95 H new ATOM 0 HB2 PRO D 17 17.141 11.363 31.794 1.00 38.85 H new ATOM 0 HB3 PRO D 17 16.777 10.351 30.665 1.00 38.85 H new ATOM 0 HG2 PRO D 17 18.028 12.431 29.994 1.00 37.18 H new ATOM 0 HG3 PRO D 17 16.898 11.936 29.040 1.00 37.18 H new ATOM 0 HD2 PRO D 17 16.682 14.020 30.950 1.00 36.43 H new ATOM 0 HD3 PRO D 17 16.182 14.066 29.474 1.00 36.43 H new ATOM 3057 N ILE D 18 14.109 10.318 32.996 1.00 44.52 N ATOM 3058 CA ILE D 18 13.616 10.049 34.354 1.00 54.52 C ATOM 3059 C ILE D 18 14.721 9.497 35.273 1.00 59.16 C ATOM 3060 O ILE D 18 15.475 8.607 34.875 1.00 57.41 O ATOM 3061 CB ILE D 18 12.404 9.068 34.325 1.00 52.71 C ATOM 3062 CG1 ILE D 18 11.432 9.439 33.189 1.00 53.97 C ATOM 3063 CG2 ILE D 18 11.680 9.057 35.670 1.00 51.50 C ATOM 3064 CD1 ILE D 18 10.492 8.329 32.748 1.00 51.35 C ATOM 0 H ILE D 18 13.932 9.691 32.434 1.00 44.52 H new ATOM 0 HA ILE D 18 13.324 10.899 34.719 1.00 54.52 H new ATOM 0 HB ILE D 18 12.743 8.175 34.158 1.00 52.71 H new ATOM 0 HG12 ILE D 18 10.900 10.199 33.474 1.00 53.97 H new ATOM 0 HG13 ILE D 18 11.950 9.727 32.421 1.00 53.97 H new ATOM 0 HG21 ILE D 18 10.931 8.442 35.630 1.00 51.50 H new ATOM 0 HG22 ILE D 18 12.294 8.774 36.366 1.00 51.50 H new ATOM 0 HG23 ILE D 18 11.355 9.949 35.870 1.00 51.50 H new ATOM 0 HD11 ILE D 18 9.921 8.653 32.034 1.00 51.35 H new ATOM 0 HD12 ILE D 18 11.010 7.573 32.430 1.00 51.35 H new ATOM 0 HD13 ILE D 18 9.944 8.052 33.499 1.00 51.35 H new ATOM 3065 N HIS D 19 14.801 10.027 36.496 1.00 71.01 N ATOM 3066 CA HIS D 19 15.729 9.519 37.536 1.00 79.06 C ATOM 3067 C HIS D 19 15.021 9.127 38.817 1.00 83.11 C ATOM 3068 O HIS D 19 13.936 9.633 39.122 1.00 84.06 O ATOM 3069 CB HIS D 19 16.806 10.551 37.862 1.00 78.55 C ATOM 3070 CG HIS D 19 17.423 11.204 36.648 1.00 81.69 C ATOM 3071 ND1 HIS D 19 17.028 12.411 36.197 1.00 80.46 N ATOM 3072 CD2 HIS D 19 18.444 10.778 35.796 1.00 83.14 C ATOM 3073 CE1 HIS D 19 17.757 12.744 35.113 1.00 82.28 C ATOM 3074 NE2 HIS D 19 18.623 11.744 34.868 1.00 82.43 N ATOM 0 H HIS D 19 14.321 10.692 36.754 1.00 71.01 H new ATOM 0 HA HIS D 19 16.135 8.722 37.161 1.00 79.06 H new ATOM 0 HB2 HIS D 19 16.420 11.239 38.426 1.00 78.55 H new ATOM 0 HB3 HIS D 19 17.507 10.121 38.377 1.00 78.55 H new ATOM 0 HD2 HIS D 19 18.914 9.978 35.856 1.00 83.14 H new ATOM 0 HE1 HIS D 19 17.675 13.529 34.620 1.00 82.28 H new ATOM 0 HE2 HIS D 19 19.196 11.723 34.227 1.00 82.43 H new ATOM 3075 N SER D 20 15.633 8.230 39.590 1.00 86.38 N ATOM 3076 CA SER D 20 15.073 7.822 40.885 1.00 88.18 C ATOM 3077 C SER D 20 15.783 8.503 42.052 1.00 91.44 C ATOM 3078 O SER D 20 16.849 8.064 42.488 1.00 96.78 O ATOM 3079 CB SER D 20 15.130 6.299 41.053 1.00 88.12 C ATOM 3080 OG SER D 20 13.995 5.685 40.470 1.00 89.59 O ATOM 0 H SER D 20 16.374 7.844 39.385 1.00 86.38 H new ATOM 0 HA SER D 20 14.145 8.105 40.893 1.00 88.18 H new ATOM 0 HB2 SER D 20 15.937 5.954 40.640 1.00 88.12 H new ATOM 0 HB3 SER D 20 15.175 6.075 41.996 1.00 88.12 H new ATOM 0 HG SER D 20 14.044 4.852 40.570 1.00 89.59 H new TER 3081 SER D 20 HETATM 3082 CL CL A1180 13.378 0.919 -21.306 1.00 27.24 CL HETATM 3083 K K A1181 10.035 22.926 -17.679 1.00 41.84 K HETATM 3084 CL CL B1181 15.381 -0.690 14.036 1.00 34.15 CL HETATM 3085 CL CL B1182 5.796 11.995 20.263 1.00 22.40 CL HETATM 3086 O HOH A2001 23.413 5.039 -16.543 1.00 13.60 O HETATM 3087 O HOH A2002 16.070 8.627 -15.173 1.00 20.63 O HETATM 3088 O HOH A2003 16.548 5.136 -16.818 1.00 34.64 O HETATM 3089 O HOH A2004 18.788 3.914 -17.541 1.00 34.99 O HETATM 3090 O HOH A2005 36.614 -1.941 -20.049 1.00 52.22 O HETATM 3091 O HOH A2006 26.282 6.801 -30.092 1.00 46.99 O HETATM 3092 O HOH A2007 7.556 12.536 -13.919 1.00 20.56 O HETATM 3093 O HOH A2008 8.323 15.916 -21.203 1.00 30.18 O HETATM 3094 O HOH A2009 37.370 7.019 -27.078 1.00 27.65 O HETATM 3095 O HOH A2010 35.222 6.939 -28.267 1.00 17.37 O HETATM 3096 O HOH A2011 35.206 0.430 -18.979 1.00 38.37 O HETATM 3097 O HOH A2012 30.566 3.976 -28.201 1.00 18.71 O HETATM 3098 O HOH A2013 25.461 8.067 -26.811 1.00 26.66 O HETATM 3099 O HOH A2014 19.545 2.703 -30.018 1.00 22.81 O HETATM 3100 O HOH A2015 15.284 2.767 -28.672 1.00 14.85 O HETATM 3101 O HOH A2016 15.492 -0.429 -19.193 1.00 36.88 O HETATM 3102 O HOH A2017 15.584 5.555 -25.943 1.00 29.78 O HETATM 3103 O HOH A2018 12.156 1.136 -14.194 1.00 25.30 O HETATM 3104 O HOH A2019 11.746 0.746 -24.100 1.00 34.29 O HETATM 3105 O HOH A2020 20.952 4.192 -16.241 1.00 29.84 O HETATM 3106 O HOH A2021 11.484 18.710 -23.336 1.00 26.50 O HETATM 3107 O HOH A2022 12.386 20.290 -21.216 1.00 30.22 O HETATM 3108 O HOH A2023 12.914 19.849 -10.336 1.00 15.56 O HETATM 3109 O HOH A2024 7.828 20.763 -17.520 1.00 32.05 O HETATM 3110 O HOH A2025 14.500 8.924 -6.681 1.00 23.11 O HETATM 3111 O HOH A2026 10.639 11.382 -4.987 1.00 41.27 O HETATM 3112 O HOH A2027 10.542 15.192 -5.996 1.00 13.48 O HETATM 3113 O HOH A2028 14.096 14.951 -4.482 1.00 27.41 O HETATM 3114 O HOH A2029 18.446 16.921 -6.283 1.00 18.55 O HETATM 3115 O HOH A2030 11.121 18.361 -3.040 1.00 35.89 O HETATM 3116 O HOH A2031 18.755 27.152 -7.384 1.00 39.82 O HETATM 3117 O HOH A2032 20.606 28.044 -8.327 1.00 69.31 O HETATM 3118 O HOH A2033 18.541 29.159 -21.033 1.00 35.18 O HETATM 3119 O HOH A2034 37.482 14.103 -12.711 1.00 33.15 O HETATM 3120 O HOH A2035 23.039 8.661 -27.932 1.00 24.81 O HETATM 3121 O HOH A2036 38.612 19.799 -32.548 1.00 32.00 O HETATM 3122 O HOH A2037 34.303 33.446 -22.384 1.00 42.74 O HETATM 3123 O HOH A2038 36.719 35.567 -20.743 1.00 39.11 O HETATM 3124 O HOH A2039 25.542 20.472 -40.123 1.00 36.82 O HETATM 3125 O HOH A2040 26.443 14.875 -30.895 1.00 24.64 O HETATM 3126 O HOH A2041 22.227 12.820 -30.959 1.00 33.97 O HETATM 3127 O HOH A2042 44.631 11.567 -18.223 1.00 46.46 O HETATM 3128 O HOH B2001 13.673 19.803 15.685 1.00 26.31 O HETATM 3129 O HOH B2002 13.936 11.866 14.206 1.00 19.33 O HETATM 3130 O HOH B2003 11.123 13.900 15.808 1.00 37.03 O HETATM 3131 O HOH B2004 14.517 2.267 13.078 1.00 22.00 O HETATM 3132 O HOH B2005 19.731 0.002 15.499 1.00 27.08 O HETATM 3133 O HOH B2006 19.431 29.599 27.681 1.00 24.24 O HETATM 3134 O HOH B2007 15.386 26.628 27.200 1.00 25.12 O HETATM 3135 O HOH B2008 5.451 14.866 18.089 1.00 38.87 O HETATM 3136 O HOH B2009 10.872 12.329 24.890 1.00 28.29 O HETATM 3137 O HOH B2010 5.740 10.857 13.274 1.00 23.71 O HETATM 3138 O HOH B2011 5.446 9.733 24.413 1.00 58.16 O HETATM 3139 O HOH B2012 11.776 1.048 8.810 1.00 36.97 O HETATM 3140 O HOH B2013 6.427 6.364 13.259 1.00 29.12 O HETATM 3141 O HOH B2014 11.946 15.300 13.394 1.00 37.07 O HETATM 3142 O HOH B2015 12.332 19.326 8.405 0.50 18.39 O HETATM 3143 O HOH B2016 21.236 3.106 22.333 1.00 33.65 O HETATM 3144 O HOH B2017 17.564 2.096 20.266 1.00 38.67 O HETATM 3145 O HOH B2018 25.072 0.809 16.451 1.00 21.93 O HETATM 3146 O HOH B2019 23.407 4.474 9.395 1.00 19.74 O HETATM 3147 O HOH B2020 22.282 -0.359 16.633 1.00 31.51 O HETATM 3148 O HOH B2021 13.702 10.165 5.704 1.00 30.84 O HETATM 3149 O HOH B2022 14.623 5.215 4.268 1.00 36.56 O HETATM 3150 O HOH B2023 18.102 4.148 4.974 1.00 15.78 O HETATM 3151 O HOH B2024 19.504 7.231 3.681 1.00 28.20 O HETATM 3152 O HOH B2025 22.576 10.586 5.302 1.00 21.81 O HETATM 3153 O HOH B2026 21.032 3.582 2.243 1.00 29.06 O HETATM 3154 O HOH B2027 20.770 10.583 3.048 1.00 38.48 O HETATM 3155 O HOH B2028 22.989 23.069 31.482 1.00 45.06 O HETATM 3156 O HOH B2029 16.685 17.962 26.901 1.00 26.59 O HETATM 3157 O HOH B2030 16.187 20.634 29.691 1.00 50.25 O HETATM 3158 O HOH B2031 32.920 28.041 31.826 1.00 52.38 O HETATM 3159 O HOH B2032 44.263 30.256 27.716 1.00 33.62 O HETATM 3160 O HOH B2033 30.399 27.737 33.316 1.00 51.41 O HETATM 3161 O HOH B2034 29.175 30.126 33.227 1.00 42.65 O HETATM 3162 O HOH B2035 28.479 16.104 39.186 1.00 45.39 O HETATM 3163 O HOH B2036 23.537 19.253 30.161 1.00 30.10 O HETATM 3164 O HOH C2001 17.290 4.776 -29.784 1.00 37.74 O HETATM 3165 O HOH D2001 13.774 8.632 30.982 1.00 45.45 O CONECT 539 3083 CONECT 3083 539 3109 CONECT 3109 3083 END