USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=93 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZ6 TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 102) COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEAR AUTOANTIGEN SP-100; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: NUCLEAR DOT-ASSOCIATED SP100 PROTEIN,SPECKLED 100 KDA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: SP100; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PANDDA, SGC - DIAMOND I04-1 FRAGMENT SCREENING, BROMODOMAIN, KEYWDS 2 EPIGENETICS, XCHEMEXPLORER, TRANSCRIPTION EXPDTA X-RAY DIFFRACTION AUTHOR N.M.PEARCE,T.KROJER,R.TALON,A.R.BRADLEY,M.FAIRHEAD,R.SETHI,N.WRIGHT, AUTHOR 2 E.MACLEAN,P.COLLINS,J.BRANDAO-NETO,A.DOUANGAMATH,Z.RENJIE,A.DIAS, AUTHOR 3 J.NG,P.E.BRENNAN,O.COX,C.BOUNTRA,C.H.ARROWSMITH,A.EDWARDS,F.VON AUTHOR 4 DELFT REVDAT 1 22-MAR-17 5PZ6 0 JRNL AUTH N.M.PEARCE,T.KROJER,A.R.BRADLEY,P.COLLINS,R.NOWAK,R.TALON, JRNL AUTH 2 B.MARSDEN,S.KELM,J.SHI,D.DEANE,F.VON DELFT JRNL TITL A MULTI-CRYSTAL METHOD FOR EXTRACTING OBSCURED JRNL TITL 2 CRYSTALLOGRAPHIC STATES FROM CONVENTIONALLY UNINTERPRETABLE JRNL TITL 3 ELECTRON DENSITY JRNL REF NAT COMMUN 2017 JRNL REFN ESSN 2041-1723 REMARK 2 REMARK 2 RESOLUTION. 1.87 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 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) : 1.87 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.01 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 36579 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) : 0.177 REMARK 3 R VALUE (WORKING SET) : 0.175 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1892 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.87 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.92 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2692 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.91 REMARK 3 BIN R VALUE (WORKING SET) : 0.2870 REMARK 3 BIN FREE R VALUE SET COUNT : 131 REMARK 3 BIN FREE R VALUE : 0.3230 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2925 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 579 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.27000 REMARK 3 B22 (A**2) : 0.22000 REMARK 3 B33 (A**2) : 0.78000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.49000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.135 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.129 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.099 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.525 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.963 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.951 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.018 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.736 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.041 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.263 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.510 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.205 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;17.324 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.116 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.440 ; 3.096 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.440 ; 3.092 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.413 ; 4.615 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER 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 : 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 ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 5PZ6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1001401296. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-APR-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 0.9200 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 2M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.3.11 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 38474 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.870 REMARK 200 RESOLUTION RANGE LOW (A) : 39.010 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.06900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.87 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.92 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.2 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.65800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: REFMAC REMARK 200 STARTING MODEL: 4PTB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 6.1 -- 20% PEG20K, PH 7, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.84000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.73500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.84000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.73500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B1034 LIES ON A SPECIAL POSITION. 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 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 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 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 803 O HOH A 1001 1.84 REMARK 500 O2 EDO B 903 O HOH B 1001 1.88 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.92 REMARK 500 O HOH A 1112 O HOH A 1281 1.99 REMARK 500 O HOH A 1167 O HOH A 1236 2.01 REMARK 500 NH1 ARG A 803 O HOH A 1003 2.08 REMARK 500 O HOH A 1174 O HOH A 1236 2.10 REMARK 500 O HOH A 1163 O HOH A 1167 2.11 REMARK 500 O HOH A 1232 O HOH A 1239 2.14 REMARK 500 O HOH A 1205 O HOH A 1259 2.14 REMARK 500 O HOH B 1005 O HOH B 1009 2.15 REMARK 500 REMARK 500 REMARK: NULL 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 1259 O HOH B 1259 2555 1.00 REMARK 500 O HOH A 1020 O HOH A 1130 1565 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 754 CA - CB - SG ANGL. DEV. = 8.4 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG B 855 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 736 -132.61 -112.35 REMARK 500 LYS A 737 95.16 71.32 REMARK 500 ASN A 802 84.60 -152.04 REMARK 500 ARG A 849 -119.67 53.53 REMARK 500 ASN B 738 102.90 -172.05 REMARK 500 CYS B 754 88.80 -150.22 REMARK 500 SER B 757 -167.53 -58.02 REMARK 500 GLN B 758 44.83 -66.96 REMARK 500 TYR B 801 -95.91 -118.07 REMARK 500 GLU B 804 -92.43 -138.03 REMARK 500 ARG B 849 -112.58 52.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO B 755 GLU B 756 146.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1313 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH A1314 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.28 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.75 ANGSTROMS 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 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 111.5 REMARK 620 3 HIS A 725 ND1 96.5 97.1 REMARK 620 4 CYS A 728 SG 112.5 117.9 118.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 717 SG REMARK 620 2 CYS A 720 SG 110.3 REMARK 620 3 CYS A 742 SG 108.7 105.3 REMARK 620 4 CYS A 745 SG 108.6 104.6 119.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 903 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 754 SG REMARK 620 2 GLU A 756 OE2 107.9 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 113.4 REMARK 620 3 HIS B 725 ND1 100.5 98.8 REMARK 620 4 CYS B 728 SG 111.6 116.0 115.0 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 111.8 REMARK 620 3 CYS B 742 SG 111.2 107.6 REMARK 620 4 CYS B 745 SG 107.2 104.5 114.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 903 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 904 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 905 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 903 DBREF 5PZ6 A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZ6 B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 ARG B 753 1 12 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 ASP B 789 1 18 HELIX 13 AB4 SER B 792 SER B 797 1 6 HELIX 14 AB5 TRP B 814 GLU B 824 1 11 HELIX 15 AB6 ARG B 829 ARG B 849 1 21 HELIX 16 AB7 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.23 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.39 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.21 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.18 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.20 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.24 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.47 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.35 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.76 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.47 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.29 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.32 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.16 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.35 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.17 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.31 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.37 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.37 CISPEP 1 ILE A 730 PRO A 731 0 -10.91 CISPEP 2 ASN A 738 PRO A 739 0 -6.92 CISPEP 3 ILE B 730 PRO B 731 0 -13.62 CISPEP 4 ASN B 738 PRO B 739 0 10.03 CISPEP 5 ARG B 803 GLU B 804 0 -9.51 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 CYS A 754 GLU A 756 SITE *** AC4 14 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 14 HOH A1020 HOH A1038 HOH A1101 HOH A1163 SITE *** AC4 14 HOH A1174 HOH A1236 ARG B 753 PRO B 773 SITE *** AC4 14 GLU B 774 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1037 SITE *** AC5 6 HOH A1099 HOH A1239 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 7 MES A 904 ARG B 746 PRO B 773 GLU B 774 SITE *** AC8 7 HOH B1001 HOH B1017 HOH B1028 CRYST1 127.680 45.470 83.590 90.00 101.83 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.007832 0.000000 0.001640 0.00000 SCALE2 0.000000 0.021993 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012223 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 725 HIS HD1 : A 725 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD NoAdj-H: B 725 HIS HD1 : B 725 HIS ND1 : B 901 ZNZN :(H bumps) USER MOD Set 1.1: B 762 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.3) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.15,f=-0.25) USER MOD Set 2.1: B 791 LYS NZ :NH3+ -171:sc= 1.6 (180deg=1.03) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.341 K(o=1.9,f=-0.88) USER MOD Set 3.1: B 821 SER OG : rot 80:sc= 2.13 USER MOD Set 3.2: B 826 MET CE B:methyl 162:sc= -0.089 (180deg=-0.107) USER MOD Set 4.1: B 813 MET CE :methyl 149:sc= -0.239 (180deg=-0.442) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -170:sc=-0.00365 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -20:sc= 1.26 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.56 K(o=2.8,f=1.8) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -156:sc= 0.22 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.02 K(o=1.2,f=0.28) USER MOD Set 7.1: B 771 MET CE :methyl 172:sc= 0 (180deg=-0.0617) USER MOD Set 7.2: B 779 CYS SG : rot 140:sc= 0.33 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.379 K(o=0.8,f=-0.76) USER MOD Set 8.2: B 732 SER OG : rot -121:sc= 0.42 USER MOD Set 9.1: B 716 CYS SG A: rot -58:sc= 0.0379 USER MOD Set 9.2: B 723 SER OG : rot 158:sc= 1.31 USER MOD Set10.1: B 719 THR OG1 : rot 81:sc= 2.11 USER MOD Set10.2: B 741 SER OG : rot -81:sc= 1.02 USER MOD Set11.1: A 791 LYS NZ :NH3+ -174:sc= 1.91 (180deg=0.967) USER MOD Set11.2: A 859 GLN : amide:sc= 0.629 K(o=2.5,f=-2.9) USER MOD Set12.1: A 787 TYR OH : rot 7:sc= 1.27 USER MOD Set12.2: A 816 ASN : amide:sc= 1.74 K(o=3,f=1.8) USER MOD Set13.1: A 771 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set13.2: A 779 CYS SG : rot -99:sc= 0.438 USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.336 K(o=0.71,f=-0.75) USER MOD Set14.2: A 732 SER OG : rot -116:sc= 0.377 USER MOD Set15.1: A 719 THR OG1 : rot 73:sc= 2.65 USER MOD Set15.2: A 741 SER OG : rot -51:sc= 1.29 USER MOD Set16.1: A 716 CYS SG : rot -44:sc= 0.181 USER MOD Set16.2: A 723 SER OG : rot 140:sc= 0.766 USER MOD Single : A 701 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.89) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= -0.0201 K(o=-0.02,f=-0.55) USER MOD Single : A 709 ASN : amide:sc= 0.477 X(o=0.48,f=0.052) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.86 K(o=1.9,f=-8.3!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 738 ASN : amide:sc= -0.941 K(o=-0.94,f=-3.2!) USER MOD Single : A 748 LYS NZ :NH3+ -136:sc= -0.0286 (180deg=-0.0511) USER MOD Single : A 749 THR OG1 : rot 77:sc= 0.086 USER MOD Single : A 751 GLN : amide:sc= 0.051 X(o=0.051,f=-0.22) USER MOD Single : A 754 CYS SG A: rot 11:sc= 0.441 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.924 USER MOD Single : A 757 SER OG : rot -84:sc= 2.14 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 176:sc= 1.09 USER MOD Single : A 761 HIS : no HE2:sc= -0.965 K(o=-0.97,f=-2.5) USER MOD Single : A 762 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 764 SER OG : rot -82:sc= 0.0994 USER MOD Single : A 768 MET CE :methyl 167:sc= -0.214 (180deg=-0.587) USER MOD Single : A 770 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 776 GLN : amide:sc= 2.55 K(o=2.5,f=-0.053) USER MOD Single : A 778 LYS NZ A:NH3+ -157:sc= -1.83! (180deg=-2.16) USER MOD Single : A 778 LYS NZ B:NH3+ 167:sc= 0.815 (180deg=0.723) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 62:sc= 0.0041 USER MOD Single : A 790 SER OG : rot -73:sc= 0 USER MOD Single : A 792 SER OG : rot -85:sc= 1.59 USER MOD Single : A 793 CYS SG : rot -84:sc= -0.167 USER MOD Single : A 797 SER OG : rot -56:sc= 0.748 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot -10:sc= 2.29 USER MOD Single : A 802 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.7!) USER MOD Single : A 806 SER OG : rot -154:sc= 0.78 USER MOD Single : A 807 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.61) USER MOD Single : A 810 GLN : amide:sc=-0.00243 X(o=-0.0024,f=-0.091) USER MOD Single : A 811 LYS NZ :NH3+ -165:sc= 1.48 (180deg=1.33) USER MOD Single : A 813 MET CE :methyl 174:sc= 0 (180deg=-0.0536) USER MOD Single : A 817 LYS NZ :NH3+ 165:sc= -0.0415 (180deg=-0.26) USER MOD Single : A 819 LYS NZ :NH3+ 172:sc= 2.1 (180deg=1.87) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 SER OG : rot 75:sc= 1.21 USER MOD Single : A 823 ASN : amide:sc= 0.668 K(o=0.67,f=-1.3) USER MOD Single : A 825 GLN : amide:sc= 0.962 X(o=0.96,f=0.5) USER MOD Single : A 826 MET CE A:methyl -157:sc= -0.147 (180deg=-0.653) USER MOD Single : A 826 MET CE B:methyl -157:sc= -2.81! (180deg=-3.06!) USER MOD Single : A 827 TYR OH : rot 1:sc= 1.29 USER MOD Single : A 828 THR OG1 : rot -105:sc= 1.2 USER MOD Single : A 835 GLN : amide:sc= 1.04 K(o=1,f=-0.41) USER MOD Single : A 837 MET CE :methyl -166:sc=-0.00365 (180deg=-0.166) USER MOD Single : A 842 HIS : no HE2:sc= 1.89 K(o=1.9,f=-4.9!) USER MOD Single : A 843 ASN : amide:sc= 3.13 K(o=3.1,f=1.1) USER MOD Single : A 844 HIS : no HD1:sc= 1.42 K(o=1.4,f=-4.4!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot 23:sc= 1.97 USER MOD Single : A 852 LYS NZ :NH3+ -165:sc= 0.592 (180deg=0.478) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -79:sc= 0.00817 USER MOD Single : A 861 GLN : amide:sc= 1.04 K(o=1,f=0.021) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.23 K(o=2.2,f=0.83) USER MOD Single : A 870 ASN : amide:sc= 1.04 K(o=1,f=-0.069) USER MOD Single : A 875 GLN : amide:sc= 0.202 X(o=0.2,f=-0.12) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 905 EDO O1 : rot -91:sc= 1.22 USER MOD Single : A 905 EDO O2 : rot 47:sc= 1.22 USER MOD Single : B 701 ASN : amide:sc= -0.874 X(o=-0.87,f=-0.77) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0842 USER MOD Single : B 703 ASN : amide:sc= 0.103 K(o=0.1,f=-3.2!) USER MOD Single : B 709 ASN : amide:sc= 0.0473 X(o=0.047,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 13:sc= 0.225 USER MOD Single : B 729 HIS : no HE2:sc= 1.51 K(o=1.5,f=-8.2!) USER MOD Single : B 736 ASN : amide:sc= -0.717 K(o=-0.72,f=-5.9!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 84:sc= 0.151 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.251 K(o=0.25,f=-1.2) USER MOD Single : B 764 SER OG A: rot 180:sc= 0 USER MOD Single : B 764 SER OG B: rot 180:sc= 0 USER MOD Single : B 768 MET CE :methyl -129:sc= -0.686 (180deg=-0.917) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 776 GLN : amide:sc= 1.94 K(o=1.9,f=-1.1!) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 66:sc= 0.0742 USER MOD Single : B 790 SER OG : rot -105:sc= 0.903 USER MOD Single : B 792 SER OG : rot -80:sc= 1.84 USER MOD Single : B 793 CYS SG : rot 180:sc=-0.00604 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.521 USER MOD Single : B 801 TYR OH : rot -29:sc= 1.96 USER MOD Single : B 802 ASN : amide:sc= 0.0842 X(o=0.084,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 811 LYS NZ :NH3+ 171:sc= 0.756 (180deg=0.717) USER MOD Single : B 819 LYS NZ :NH3+ -176:sc= 0.774 (180deg=0.766) USER MOD Single : B 820 THR OG1 : rot 152:sc= 1.3 USER MOD Single : B 823 ASN : amide:sc= 2.22 K(o=2.2,f=1.7) USER MOD Single : B 825 GLN : amide:sc= 1.25 K(o=1.3,f=-1.4!) USER MOD Single : B 826 MET CE A:methyl -175:sc=-0.00249 (180deg=-0.037) USER MOD Single : B 827 TYR OH : rot -7:sc= 1.25 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 837 MET CE :methyl -155:sc= -0.0723 (180deg=-0.403) USER MOD Single : B 842 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0095) USER MOD Single : B 843 ASN : amide:sc= 1.7 K(o=1.7,f=-0.49!) USER MOD Single : B 844 HIS : no HD1:sc= 0.959 K(o=0.96,f=-4.3!) USER MOD Single : B 845 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0652) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.877 USER MOD Single : B 852 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 854 THR OG1A: rot 180:sc= 0 USER MOD Single : B 854 THR OG1B: rot -95:sc= 1.29 USER MOD Single : B 861 GLN : amide:sc= 1.09 K(o=1.1,f=-0.36) USER MOD Single : B 866 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.09) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 65:sc= 1.53 USER MOD Single : B 903 EDO O2 : rot -33:sc= 0.667 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.562 -4.854 -4.070 1.00 56.49 N ATOM 2 CA ASN A 701 15.179 -3.923 -3.073 1.00 59.15 C ATOM 3 C ASN A 701 14.151 -2.920 -2.560 1.00 60.26 C ATOM 4 O ASN A 701 13.195 -2.571 -3.266 1.00 49.27 O ATOM 5 CB ASN A 701 16.385 -3.166 -3.658 1.00 66.31 C ATOM 6 CG ASN A 701 17.643 -4.012 -3.709 1.00 75.14 C ATOM 7 OD1 ASN A 701 18.057 -4.425 -4.786 1.00 75.99 O ATOM 8 ND2 ASN A 701 18.269 -4.263 -2.546 1.00 72.86 N ATOM 0 HA ASN A 701 15.493 -4.471 -2.337 1.00 59.15 H new ATOM 0 HB2 ASN A 701 16.168 -2.863 -4.553 1.00 66.31 H new ATOM 0 HB3 ASN A 701 16.554 -2.374 -3.124 1.00 66.31 H new ATOM 0 HD21 ASN A 701 18.991 -4.731 -2.538 1.00 72.86 H new ATOM 0 HD22 ASN A 701 17.948 -3.956 -1.810 1.00 72.86 H new ATOM 9 N SER A 702 14.361 -2.450 -1.332 1.00 56.18 N ATOM 10 CA SER A 702 13.509 -1.419 -0.752 1.00 53.17 C ATOM 11 C SER A 702 13.668 -0.132 -1.590 1.00 50.75 C ATOM 12 O SER A 702 14.711 0.099 -2.204 1.00 48.29 O ATOM 13 CB SER A 702 13.869 -1.198 0.736 1.00 50.97 C ATOM 14 OG SER A 702 12.952 -0.341 1.432 1.00 46.70 O ATOM 0 H SER A 702 14.996 -2.718 -0.817 1.00 56.18 H new ATOM 0 HA SER A 702 12.578 -1.691 -0.774 1.00 53.17 H new ATOM 0 HB2 SER A 702 13.899 -2.058 1.184 1.00 50.97 H new ATOM 0 HB3 SER A 702 14.760 -0.818 0.792 1.00 50.97 H new ATOM 0 HG SER A 702 13.196 -0.259 2.232 1.00 46.70 H new ATOM 15 N ASN A 703 12.608 0.675 -1.610 1.00 49.91 N ATOM 16 CA ASN A 703 12.569 1.977 -2.289 1.00 51.56 C ATOM 17 C ASN A 703 12.873 3.135 -1.373 1.00 42.76 C ATOM 18 O ASN A 703 12.837 4.269 -1.840 1.00 38.12 O ATOM 19 CB ASN A 703 11.160 2.237 -2.874 1.00 58.00 C ATOM 20 CG ASN A 703 10.663 1.083 -3.710 1.00 74.62 C ATOM 21 OD1 ASN A 703 11.458 0.282 -4.231 1.00 85.88 O ATOM 22 ND2 ASN A 703 9.346 0.976 -3.843 1.00 85.15 N ATOM 0 H ASN A 703 11.869 0.477 -1.218 1.00 49.91 H new ATOM 0 HA ASN A 703 13.249 1.927 -2.979 1.00 51.56 H new ATOM 0 HB2 ASN A 703 10.537 2.400 -2.149 1.00 58.00 H new ATOM 0 HB3 ASN A 703 11.181 3.041 -3.416 1.00 58.00 H new ATOM 0 HD21 ASN A 703 9.011 0.332 -4.305 1.00 85.15 H new ATOM 0 HD22 ASN A 703 8.828 1.550 -3.467 1.00 85.15 H new ATOM 23 N ILE A 704 13.167 2.868 -0.079 1.00 37.45 N ATOM 24 CA ILE A 704 13.668 3.916 0.838 1.00 34.22 C ATOM 25 C ILE A 704 14.988 3.474 1.553 1.00 31.89 C ATOM 26 O ILE A 704 15.257 2.312 1.694 1.00 29.52 O ATOM 27 CB ILE A 704 12.585 4.359 1.887 1.00 35.76 C ATOM 28 CG1 ILE A 704 12.029 3.162 2.687 1.00 39.82 C ATOM 29 CG2 ILE A 704 11.424 5.056 1.181 1.00 41.01 C ATOM 30 CD1 ILE A 704 11.164 3.488 3.904 1.00 38.90 C ATOM 0 H ILE A 704 13.083 2.092 0.282 1.00 37.45 H new ATOM 0 HA ILE A 704 13.869 4.689 0.287 1.00 34.22 H new ATOM 0 HB ILE A 704 13.021 4.966 2.505 1.00 35.76 H new ATOM 0 HG12 ILE A 704 11.506 2.612 2.083 1.00 39.82 H new ATOM 0 HG13 ILE A 704 12.779 2.623 2.985 1.00 39.82 H new ATOM 0 HG21 ILE A 704 10.761 5.325 1.836 1.00 41.01 H new ATOM 0 HG22 ILE A 704 11.753 5.840 0.713 1.00 41.01 H new ATOM 0 HG23 ILE A 704 11.019 4.446 0.544 1.00 41.01 H new ATOM 0 HD11 ILE A 704 10.873 2.664 4.325 1.00 38.90 H new ATOM 0 HD12 ILE A 704 11.681 4.010 4.538 1.00 38.90 H new ATOM 0 HD13 ILE A 704 10.388 3.998 3.623 1.00 38.90 H new ATOM 31 N CYS A 705 15.766 4.448 1.960 1.00 29.54 N ATOM 32 CA CYS A 705 16.946 4.260 2.819 1.00 28.44 C ATOM 33 C CYS A 705 16.619 3.603 4.140 1.00 26.98 C ATOM 34 O CYS A 705 15.741 4.019 4.874 1.00 24.58 O ATOM 35 CB CYS A 705 17.606 5.582 3.045 1.00 27.72 C ATOM 36 SG CYS A 705 19.184 5.603 4.006 1.00 26.16 S ATOM 0 H CYS A 705 15.631 5.270 1.745 1.00 29.54 H new ATOM 0 HA CYS A 705 17.549 3.656 2.357 1.00 28.44 H new ATOM 0 HB2 CYS A 705 17.780 5.981 2.178 1.00 27.72 H new ATOM 0 HB3 CYS A 705 16.972 6.158 3.500 1.00 27.72 H new ATOM 37 N GLU A 706 17.409 2.591 4.465 1.00 27.01 N ATOM 38 CA GLU A 706 17.211 1.839 5.636 1.00 27.62 C ATOM 39 C GLU A 706 17.399 2.690 6.890 1.00 23.20 C ATOM 40 O GLU A 706 16.758 2.411 7.845 1.00 21.72 O ATOM 41 CB GLU A 706 18.225 0.707 5.682 1.00 30.04 C ATOM 42 CG GLU A 706 17.967 -0.258 6.787 1.00 31.58 C ATOM 43 CD GLU A 706 16.871 -1.204 6.470 1.00 35.79 C ATOM 44 OE1 GLU A 706 16.286 -1.157 5.364 1.00 43.31 O ATOM 45 OE2 GLU A 706 16.651 -2.028 7.311 1.00 32.29 O ATOM 0 H GLU A 706 18.079 2.336 3.990 1.00 27.01 H new ATOM 0 HA GLU A 706 16.302 1.500 5.618 1.00 27.62 H new ATOM 0 HB2 GLU A 706 18.213 0.233 4.836 1.00 30.04 H new ATOM 0 HB3 GLU A 706 19.115 1.080 5.785 1.00 30.04 H new ATOM 0 HG2 GLU A 706 18.778 -0.757 6.972 1.00 31.58 H new ATOM 0 HG3 GLU A 706 17.744 0.231 7.594 1.00 31.58 H new ATOM 46 N VAL A 707 18.295 3.672 6.837 1.00 22.38 N ATOM 47 CA VAL A 707 18.710 4.481 7.981 1.00 21.49 C ATOM 48 C VAL A 707 17.731 5.640 8.239 1.00 26.48 C ATOM 49 O VAL A 707 17.233 5.794 9.356 1.00 24.18 O ATOM 50 CB VAL A 707 20.118 5.013 7.785 1.00 21.09 C ATOM 51 CG1 VAL A 707 20.573 5.847 8.948 1.00 19.88 C ATOM 52 CG2 VAL A 707 21.091 3.815 7.613 1.00 21.64 C ATOM 0 H VAL A 707 18.693 3.894 6.107 1.00 22.38 H new ATOM 0 HA VAL A 707 18.702 3.905 8.761 1.00 21.49 H new ATOM 0 HB VAL A 707 20.116 5.577 6.996 1.00 21.09 H new ATOM 0 HG11 VAL A 707 21.474 6.167 8.784 1.00 19.88 H new ATOM 0 HG12 VAL A 707 19.976 6.604 9.057 1.00 19.88 H new ATOM 0 HG13 VAL A 707 20.563 5.310 9.755 1.00 19.88 H new ATOM 0 HG21 VAL A 707 21.994 4.147 7.487 1.00 21.64 H new ATOM 0 HG22 VAL A 707 21.060 3.256 8.405 1.00 21.64 H new ATOM 0 HG23 VAL A 707 20.828 3.293 6.839 1.00 21.64 H new ATOM 53 N CYS A 708 17.486 6.442 7.197 1.00 23.46 N ATOM 54 CA CYS A 708 16.759 7.724 7.360 1.00 26.83 C ATOM 55 C CYS A 708 15.319 7.621 6.800 1.00 30.02 C ATOM 56 O CYS A 708 14.552 8.579 6.937 1.00 28.86 O ATOM 57 CB CYS A 708 17.554 8.855 6.716 1.00 25.83 C ATOM 58 SG CYS A 708 17.342 8.827 4.923 1.00 27.99 S ATOM 0 H CYS A 708 17.728 6.270 6.390 1.00 23.46 H new ATOM 0 HA CYS A 708 16.673 7.924 8.305 1.00 26.83 H new ATOM 0 HB2 CYS A 708 17.259 9.709 7.070 1.00 25.83 H new ATOM 0 HB3 CYS A 708 18.494 8.766 6.938 1.00 25.83 H new ATOM 59 N ASN A 709 14.958 6.443 6.256 1.00 29.01 N ATOM 60 CA ASN A 709 13.630 6.159 5.718 1.00 32.33 C ATOM 61 C ASN A 709 13.077 7.116 4.656 1.00 35.41 C ATOM 62 O ASN A 709 11.853 7.301 4.620 1.00 31.50 O ATOM 63 CB ASN A 709 12.639 6.091 6.850 1.00 32.77 C ATOM 64 CG ASN A 709 13.027 5.047 7.850 1.00 40.87 C ATOM 65 OD1 ASN A 709 13.488 5.352 8.947 1.00 41.86 O ATOM 66 ND2 ASN A 709 12.902 3.817 7.460 1.00 40.82 N ATOM 0 H ASN A 709 15.498 5.777 6.192 1.00 29.01 H new ATOM 0 HA ASN A 709 13.749 5.316 5.253 1.00 32.33 H new ATOM 0 HB2 ASN A 709 12.584 6.955 7.287 1.00 32.77 H new ATOM 0 HB3 ASN A 709 11.757 5.894 6.499 1.00 32.77 H new ATOM 0 HD21 ASN A 709 13.147 3.175 7.977 1.00 40.82 H new ATOM 0 HD22 ASN A 709 12.574 3.643 6.684 1.00 40.82 H new ATOM 67 N LYS A 710 13.964 7.763 3.896 1.00 31.73 N ATOM 68 CA LYS A 710 13.618 8.637 2.780 1.00 34.89 C ATOM 69 C LYS A 710 14.059 7.987 1.450 1.00 40.90 C ATOM 70 O LYS A 710 14.982 7.149 1.393 1.00 35.72 O ATOM 71 CB LYS A 710 14.313 9.968 2.901 1.00 33.64 C ATOM 72 CG LYS A 710 13.902 10.799 4.109 1.00 39.51 C ATOM 73 CD LYS A 710 12.471 11.288 3.986 1.00 42.63 C ATOM 74 CE LYS A 710 12.115 12.301 5.067 1.00 47.96 C ATOM 75 NZ LYS A 710 12.022 11.682 6.409 1.00 55.03 N ATOM 0 H LYS A 710 14.812 7.701 4.023 1.00 31.73 H new ATOM 0 HA LYS A 710 12.657 8.770 2.796 1.00 34.89 H new ATOM 0 HB2 LYS A 710 15.270 9.816 2.940 1.00 33.64 H new ATOM 0 HB3 LYS A 710 14.140 10.483 2.097 1.00 33.64 H new ATOM 0 HG2 LYS A 710 13.996 10.268 4.915 1.00 39.51 H new ATOM 0 HG3 LYS A 710 14.498 11.559 4.199 1.00 39.51 H new ATOM 0 HD2 LYS A 710 12.342 11.690 3.113 1.00 42.63 H new ATOM 0 HD3 LYS A 710 11.866 10.532 4.042 1.00 42.63 H new ATOM 0 HE2 LYS A 710 12.784 13.003 5.083 1.00 47.96 H new ATOM 0 HE3 LYS A 710 11.269 12.721 4.848 1.00 47.96 H new ATOM 0 HZ1 LYS A 710 11.813 12.305 7.010 1.00 55.03 H new ATOM 0 HZ2 LYS A 710 11.392 11.053 6.403 1.00 55.03 H new ATOM 0 HZ3 LYS A 710 12.805 11.316 6.622 1.00 55.03 H new ATOM 76 N TRP A 711 13.377 8.363 0.369 1.00 38.19 N ATOM 77 CA TRP A 711 13.810 8.030 -0.995 1.00 32.92 C ATOM 78 C TRP A 711 14.890 9.039 -1.397 1.00 32.65 C ATOM 79 O TRP A 711 15.323 9.891 -0.584 1.00 43.79 O ATOM 80 CB TRP A 711 12.588 8.016 -1.926 1.00 38.23 C ATOM 81 CG TRP A 711 12.862 7.722 -3.323 1.00 36.92 C ATOM 82 CD1 TRP A 711 13.169 6.526 -3.847 1.00 43.16 C ATOM 83 CD2 TRP A 711 12.847 8.645 -4.399 1.00 37.33 C ATOM 84 NE1 TRP A 711 13.363 6.635 -5.184 1.00 41.06 N ATOM 85 CE2 TRP A 711 13.152 7.931 -5.549 1.00 37.08 C ATOM 86 CE3 TRP A 711 12.566 10.004 -4.505 1.00 32.86 C ATOM 87 CZ2 TRP A 711 13.210 8.528 -6.797 1.00 39.83 C ATOM 88 CZ3 TRP A 711 12.639 10.598 -5.734 1.00 35.69 C ATOM 89 CH2 TRP A 711 12.953 9.854 -6.868 1.00 31.99 C ATOM 0 H TRP A 711 12.649 8.819 0.403 1.00 38.19 H new ATOM 0 HA TRP A 711 14.199 7.144 -1.056 1.00 32.92 H new ATOM 0 HB2 TRP A 711 11.956 7.360 -1.593 1.00 38.23 H new ATOM 0 HB3 TRP A 711 12.153 8.881 -1.874 1.00 38.23 H new ATOM 0 HD1 TRP A 711 13.239 5.735 -3.362 1.00 43.16 H new ATOM 0 HE1 TRP A 711 13.582 5.994 -5.713 1.00 41.06 H new ATOM 0 HE3 TRP A 711 12.333 10.499 -3.753 1.00 32.86 H new ATOM 0 HZ2 TRP A 711 13.418 8.036 -7.558 1.00 39.83 H new ATOM 0 HZ3 TRP A 711 12.477 11.510 -5.814 1.00 35.69 H new ATOM 0 HH2 TRP A 711 12.987 10.279 -7.694 1.00 31.99 H new ATOM 90 N GLY A 712 15.458 8.822 -2.578 1.00 29.79 N ATOM 91 CA GLY A 712 16.508 9.679 -3.127 1.00 31.92 C ATOM 92 C GLY A 712 17.456 8.795 -3.952 1.00 30.27 C ATOM 93 O GLY A 712 17.031 7.744 -4.451 1.00 34.00 O ATOM 0 H GLY A 712 15.243 8.166 -3.091 1.00 29.79 H new ATOM 0 HA2 GLY A 712 16.123 10.374 -3.683 1.00 31.92 H new ATOM 0 HA3 GLY A 712 16.992 10.122 -2.413 1.00 31.92 H new ATOM 94 N ARG A 713 18.712 9.224 -4.067 1.00 33.09 N ATOM 95 CA ARG A 713 19.777 8.445 -4.721 1.00 34.97 C ATOM 96 C ARG A 713 20.223 7.311 -3.768 1.00 36.59 C ATOM 97 O ARG A 713 20.955 7.562 -2.831 1.00 39.98 O ATOM 98 CB ARG A 713 20.947 9.346 -5.074 1.00 39.06 C ATOM 99 CG ARG A 713 22.121 8.677 -5.782 1.00 47.81 C ATOM 100 CD ARG A 713 21.719 7.914 -7.051 1.00 59.01 C ATOM 101 NE ARG A 713 22.802 7.063 -7.553 1.00 67.94 N ATOM 102 CZ ARG A 713 22.767 5.736 -7.722 1.00 71.42 C ATOM 103 NH1 ARG A 713 23.860 5.124 -8.177 1.00 76.61 N ATOM 104 NH2 ARG A 713 21.686 5.006 -7.450 1.00 70.29 N ATOM 0 H ARG A 713 18.978 9.984 -3.765 1.00 33.09 H new ATOM 0 HA ARG A 713 19.443 8.057 -5.545 1.00 34.97 H new ATOM 0 HB2 ARG A 713 20.620 10.064 -5.638 1.00 39.06 H new ATOM 0 HB3 ARG A 713 21.275 9.754 -4.257 1.00 39.06 H new ATOM 0 HG2 ARG A 713 22.777 9.353 -6.014 1.00 47.81 H new ATOM 0 HG3 ARG A 713 22.552 8.063 -5.167 1.00 47.81 H new ATOM 0 HD2 ARG A 713 20.940 7.367 -6.864 1.00 59.01 H new ATOM 0 HD3 ARG A 713 21.462 8.547 -7.739 1.00 59.01 H new ATOM 0 HE ARG A 713 23.537 7.458 -7.761 1.00 67.94 H new ATOM 0 HH11 ARG A 713 24.566 5.581 -8.355 1.00 76.61 H new ATOM 0 HH12 ARG A 713 23.859 4.272 -8.293 1.00 76.61 H new ATOM 0 HH21 ARG A 713 20.974 5.386 -7.153 1.00 70.29 H new ATOM 0 HH22 ARG A 713 21.700 4.155 -7.571 1.00 70.29 H new ATOM 105 N LEU A 714 19.734 6.113 -4.009 1.00 32.85 N ATOM 106 CA LEU A 714 20.003 4.938 -3.214 1.00 34.90 C ATOM 107 C LEU A 714 20.935 3.905 -3.874 1.00 41.05 C ATOM 108 O LEU A 714 20.846 3.651 -5.071 1.00 38.68 O ATOM 109 CB LEU A 714 18.695 4.218 -2.967 1.00 32.20 C ATOM 110 CG LEU A 714 17.651 5.051 -2.286 1.00 30.66 C ATOM 111 CD1 LEU A 714 16.406 4.226 -2.220 1.00 30.00 C ATOM 112 CD2 LEU A 714 18.104 5.529 -0.910 1.00 34.41 C ATOM 0 H LEU A 714 19.211 5.955 -4.673 1.00 32.85 H new ATOM 0 HA LEU A 714 20.441 5.265 -2.412 1.00 34.90 H new ATOM 0 HB2 LEU A 714 18.343 3.908 -3.816 1.00 32.20 H new ATOM 0 HB3 LEU A 714 18.868 3.431 -2.427 1.00 32.20 H new ATOM 0 HG LEU A 714 17.487 5.864 -2.789 1.00 30.66 H new ATOM 0 HD11 LEU A 714 15.704 4.734 -1.784 1.00 30.00 H new ATOM 0 HD12 LEU A 714 16.125 3.992 -3.118 1.00 30.00 H new ATOM 0 HD13 LEU A 714 16.580 3.416 -1.715 1.00 30.00 H new ATOM 0 HD21 LEU A 714 17.402 6.062 -0.505 1.00 34.41 H new ATOM 0 HD22 LEU A 714 18.292 4.762 -0.347 1.00 34.41 H new ATOM 0 HD23 LEU A 714 18.906 6.067 -1.002 1.00 34.41 H new ATOM 113 N PHE A 715 21.773 3.278 -3.044 1.00 41.37 N ATOM 114 CA PHE A 715 22.560 2.104 -3.420 1.00 36.53 C ATOM 115 C PHE A 715 21.970 0.826 -2.835 1.00 37.54 C ATOM 116 O PHE A 715 21.637 0.760 -1.662 1.00 41.43 O ATOM 117 CB PHE A 715 23.963 2.361 -3.002 1.00 34.76 C ATOM 118 CG PHE A 715 24.523 3.628 -3.574 1.00 37.28 C ATOM 119 CD1 PHE A 715 25.237 3.605 -4.776 1.00 41.82 C ATOM 120 CD2 PHE A 715 24.336 4.834 -2.941 1.00 41.08 C ATOM 121 CE1 PHE A 715 25.782 4.753 -5.299 1.00 44.44 C ATOM 122 CE2 PHE A 715 24.874 6.003 -3.456 1.00 45.02 C ATOM 123 CZ PHE A 715 25.602 5.957 -4.647 1.00 50.45 C ATOM 0 H PHE A 715 21.901 3.530 -2.232 1.00 41.37 H new ATOM 0 HA PHE A 715 22.540 1.961 -4.379 1.00 36.53 H new ATOM 0 HB2 PHE A 715 24.004 2.404 -2.034 1.00 34.76 H new ATOM 0 HB3 PHE A 715 24.519 1.615 -3.277 1.00 34.76 H new ATOM 0 HD1 PHE A 715 25.345 2.800 -5.229 1.00 41.82 H new ATOM 0 HD2 PHE A 715 23.841 4.866 -2.155 1.00 41.08 H new ATOM 0 HE1 PHE A 715 26.271 4.719 -6.090 1.00 44.44 H new ATOM 0 HE2 PHE A 715 24.751 6.811 -3.012 1.00 45.02 H new ATOM 0 HZ PHE A 715 25.965 6.737 -5.001 1.00 50.45 H new ATOM 124 N CYS A 716 21.822 -0.202 -3.652 1.00 36.17 N ATOM 125 CA CYS A 716 21.089 -1.386 -3.257 1.00 38.89 C ATOM 126 C CYS A 716 22.044 -2.488 -2.840 1.00 40.35 C ATOM 127 O CYS A 716 23.099 -2.635 -3.422 1.00 48.47 O ATOM 128 CB CYS A 716 20.210 -1.858 -4.404 1.00 49.52 C ATOM 129 SG CYS A 716 18.729 -0.848 -4.652 1.00 52.13 S ATOM 0 H CYS A 716 22.143 -0.232 -4.449 1.00 36.17 H new ATOM 0 HA CYS A 716 20.526 -1.165 -2.498 1.00 38.89 H new ATOM 0 HB2 CYS A 716 20.732 -1.858 -5.222 1.00 49.52 H new ATOM 0 HB3 CYS A 716 19.942 -2.775 -4.239 1.00 49.52 H new ATOM 0 HG CYS A 716 18.219 -0.617 -3.590 1.00 52.13 H new ATOM 130 N CYS A 717 21.699 -3.221 -1.791 1.00 39.43 N ATOM 131 CA CYS A 717 22.541 -4.321 -1.360 1.00 42.67 C ATOM 132 C CYS A 717 22.314 -5.456 -2.348 1.00 43.98 C ATOM 133 O CYS A 717 21.165 -5.672 -2.746 1.00 47.17 O ATOM 134 CB CYS A 717 22.142 -4.790 0.021 1.00 37.48 C ATOM 135 SG CYS A 717 23.278 -5.981 0.706 1.00 36.65 S ATOM 0 H CYS A 717 20.989 -3.099 -1.321 1.00 39.43 H new ATOM 0 HA CYS A 717 23.470 -4.043 -1.329 1.00 42.67 H new ATOM 0 HB2 CYS A 717 22.087 -4.024 0.614 1.00 37.48 H new ATOM 0 HB3 CYS A 717 21.256 -5.182 -0.019 1.00 37.48 H new ATOM 136 N ASP A 718 23.368 -6.196 -2.687 1.00 46.20 N ATOM 137 CA ASP A 718 23.202 -7.361 -3.578 1.00 46.48 C ATOM 138 C ASP A 718 22.823 -8.636 -2.833 1.00 50.75 C ATOM 139 O ASP A 718 22.288 -9.557 -3.428 1.00 55.16 O ATOM 140 CB ASP A 718 24.412 -7.518 -4.488 1.00 49.47 C ATOM 141 CG ASP A 718 24.465 -6.447 -5.548 1.00 48.17 C ATOM 142 OD1 ASP A 718 23.456 -6.323 -6.260 1.00 58.16 O ATOM 143 OD2 ASP A 718 25.477 -5.719 -5.682 1.00 50.67 O ATOM 0 H ASP A 718 24.173 -6.051 -2.422 1.00 46.20 H new ATOM 0 HA ASP A 718 22.439 -7.187 -4.151 1.00 46.48 H new ATOM 0 HB2 ASP A 718 25.222 -7.485 -3.956 1.00 49.47 H new ATOM 0 HB3 ASP A 718 24.386 -8.390 -4.912 1.00 49.47 H new ATOM 144 N THR A 719 23.003 -8.679 -1.521 1.00 45.75 N ATOM 145 CA THR A 719 22.708 -9.895 -0.778 1.00 41.75 C ATOM 146 C THR A 719 21.530 -9.798 0.130 1.00 40.63 C ATOM 147 O THR A 719 21.225 -10.756 0.822 1.00 39.05 O ATOM 148 CB THR A 719 23.980 -10.355 -0.019 1.00 47.55 C ATOM 149 OG1 THR A 719 24.560 -9.272 0.734 1.00 42.40 O ATOM 150 CG2 THR A 719 25.017 -10.810 -1.038 1.00 46.50 C ATOM 0 H THR A 719 23.292 -8.023 -1.046 1.00 45.75 H new ATOM 0 HA THR A 719 22.450 -10.565 -1.430 1.00 41.75 H new ATOM 0 HB THR A 719 23.729 -11.070 0.587 1.00 47.55 H new ATOM 0 HG1 THR A 719 24.077 -9.104 1.400 1.00 42.40 H new ATOM 0 HG21 THR A 719 25.819 -11.101 -0.576 1.00 46.50 H new ATOM 0 HG22 THR A 719 24.659 -11.546 -1.558 1.00 46.50 H new ATOM 0 HG23 THR A 719 25.235 -10.073 -1.630 1.00 46.50 H new ATOM 151 N CYS A 720 20.890 -8.635 0.208 1.00 39.21 N ATOM 152 CA CYS A 720 19.632 -8.497 0.948 1.00 37.86 C ATOM 153 C CYS A 720 18.838 -7.383 0.298 1.00 31.53 C ATOM 154 O CYS A 720 19.374 -6.681 -0.516 1.00 35.86 O ATOM 155 CB CYS A 720 19.855 -8.201 2.454 1.00 39.37 C ATOM 156 SG CYS A 720 20.428 -6.523 2.843 1.00 36.12 S ATOM 0 H CYS A 720 21.166 -7.909 -0.161 1.00 39.21 H new ATOM 0 HA CYS A 720 19.150 -9.338 0.911 1.00 37.86 H new ATOM 0 HB2 CYS A 720 19.022 -8.359 2.926 1.00 39.37 H new ATOM 0 HB3 CYS A 720 20.502 -8.835 2.800 1.00 39.37 H new ATOM 157 N PRO A 721 17.590 -7.191 0.704 1.00 36.76 N ATOM 158 CA PRO A 721 16.788 -6.144 0.056 1.00 39.70 C ATOM 159 C PRO A 721 16.936 -4.699 0.592 1.00 44.88 C ATOM 160 O PRO A 721 16.169 -3.829 0.167 1.00 48.47 O ATOM 161 CB PRO A 721 15.349 -6.649 0.238 1.00 39.30 C ATOM 162 CG PRO A 721 15.385 -7.549 1.427 1.00 41.63 C ATOM 163 CD PRO A 721 16.816 -7.924 1.722 1.00 38.19 C ATOM 0 HA PRO A 721 17.087 -6.035 -0.860 1.00 39.70 H new ATOM 0 HB2 PRO A 721 14.736 -5.911 0.378 1.00 39.30 H new ATOM 0 HB3 PRO A 721 15.044 -7.125 -0.550 1.00 39.30 H new ATOM 0 HG2 PRO A 721 14.991 -7.105 2.194 1.00 41.63 H new ATOM 0 HG3 PRO A 721 14.858 -8.346 1.259 1.00 41.63 H new ATOM 0 HD2 PRO A 721 17.074 -7.664 2.620 1.00 38.19 H new ATOM 0 HD3 PRO A 721 16.954 -8.882 1.653 1.00 38.19 H new ATOM 164 N ARG A 722 17.930 -4.402 1.425 1.00 35.78 N ATOM 165 CA ARG A 722 18.083 -3.015 1.929 1.00 36.61 C ATOM 166 C ARG A 722 18.687 -2.079 0.941 1.00 31.58 C ATOM 167 O ARG A 722 19.474 -2.464 0.108 1.00 32.47 O ATOM 168 CB ARG A 722 18.949 -2.957 3.206 1.00 33.87 C ATOM 169 CG ARG A 722 18.371 -3.786 4.314 1.00 33.50 C ATOM 170 CD ARG A 722 19.238 -3.821 5.540 1.00 30.36 C ATOM 171 NE ARG A 722 18.576 -4.531 6.625 1.00 29.96 N ATOM 172 CZ ARG A 722 18.745 -5.823 6.904 1.00 28.37 C ATOM 173 NH1 ARG A 722 19.516 -6.594 6.156 1.00 31.63 N ATOM 174 NH2 ARG A 722 18.132 -6.335 7.916 1.00 29.97 N ATOM 0 H ARG A 722 18.516 -4.963 1.710 1.00 35.78 H new ATOM 0 HA ARG A 722 17.174 -2.732 2.115 1.00 36.61 H new ATOM 0 HB2 ARG A 722 19.845 -3.269 3.003 1.00 33.87 H new ATOM 0 HB3 ARG A 722 19.029 -2.036 3.500 1.00 33.87 H new ATOM 0 HG2 ARG A 722 17.499 -3.435 4.552 1.00 33.50 H new ATOM 0 HG3 ARG A 722 18.235 -4.692 3.995 1.00 33.50 H new ATOM 0 HD2 ARG A 722 20.081 -4.254 5.332 1.00 30.36 H new ATOM 0 HD3 ARG A 722 19.445 -2.916 5.820 1.00 30.36 H new ATOM 0 HE ARG A 722 18.036 -4.083 7.123 1.00 29.96 H new ATOM 0 HH11 ARG A 722 19.921 -6.264 5.473 1.00 31.63 H new ATOM 0 HH12 ARG A 722 19.612 -7.426 6.353 1.00 31.63 H new ATOM 0 HH21 ARG A 722 17.621 -5.844 8.403 1.00 29.97 H new ATOM 0 HH22 ARG A 722 18.234 -7.168 8.104 1.00 29.97 H new ATOM 175 N SER A 723 18.387 -0.802 1.098 1.00 31.55 N ATOM 176 CA SER A 723 19.036 0.237 0.287 1.00 30.87 C ATOM 177 C SER A 723 19.449 1.388 1.164 1.00 29.98 C ATOM 178 O SER A 723 18.854 1.592 2.243 1.00 33.77 O ATOM 179 CB SER A 723 18.084 0.731 -0.858 1.00 40.33 C ATOM 180 OG SER A 723 17.472 -0.392 -1.532 1.00 41.45 O ATOM 0 H SER A 723 17.812 -0.507 1.666 1.00 31.55 H new ATOM 0 HA SER A 723 19.827 -0.143 -0.127 1.00 30.87 H new ATOM 0 HB2 SER A 723 17.396 1.306 -0.488 1.00 40.33 H new ATOM 0 HB3 SER A 723 18.586 1.263 -1.495 1.00 40.33 H new ATOM 0 HG SER A 723 16.667 -0.216 -1.697 1.00 41.45 H new ATOM 181 N PHE A 724 20.407 2.166 0.672 1.00 25.79 N ATOM 182 CA PHE A 724 21.057 3.237 1.395 1.00 25.53 C ATOM 183 C PHE A 724 21.384 4.432 0.594 1.00 26.77 C ATOM 184 O PHE A 724 21.922 4.359 -0.515 1.00 28.38 O ATOM 185 CB PHE A 724 22.397 2.738 2.043 1.00 24.53 C ATOM 186 CG PHE A 724 22.208 1.569 2.939 1.00 26.47 C ATOM 187 CD1 PHE A 724 22.079 0.303 2.407 1.00 25.94 C ATOM 188 CD2 PHE A 724 22.091 1.739 4.351 1.00 23.79 C ATOM 189 CE1 PHE A 724 21.858 -0.807 3.238 1.00 29.50 C ATOM 190 CE2 PHE A 724 21.841 0.636 5.159 1.00 24.41 C ATOM 191 CZ PHE A 724 21.744 -0.655 4.600 1.00 24.45 C ATOM 0 H PHE A 724 20.705 2.075 -0.129 1.00 25.79 H new ATOM 0 HA PHE A 724 20.399 3.498 2.058 1.00 25.53 H new ATOM 0 HB2 PHE A 724 23.022 2.503 1.340 1.00 24.53 H new ATOM 0 HB3 PHE A 724 22.797 3.464 2.547 1.00 24.53 H new ATOM 0 HD1 PHE A 724 22.139 0.183 1.487 1.00 25.94 H new ATOM 0 HD2 PHE A 724 22.182 2.584 4.729 1.00 23.79 H new ATOM 0 HE1 PHE A 724 21.788 -1.655 2.863 1.00 29.50 H new ATOM 0 HE2 PHE A 724 21.737 0.750 6.076 1.00 24.41 H new ATOM 0 HZ PHE A 724 21.605 -1.395 5.146 1.00 24.45 H new ATOM 192 N HIS A 725 21.229 5.596 1.215 1.00 29.22 N ATOM 193 CA HIS A 725 21.943 6.730 0.718 1.00 29.08 C ATOM 194 C HIS A 725 23.441 6.507 0.959 1.00 33.54 C ATOM 195 O HIS A 725 23.845 5.816 1.915 1.00 32.31 O ATOM 196 CB HIS A 725 21.572 8.060 1.395 1.00 31.56 C ATOM 197 CG HIS A 725 20.172 8.509 1.152 1.00 34.16 C ATOM 198 ND1 HIS A 725 19.155 8.269 2.044 1.00 32.97 N ATOM 199 CD2 HIS A 725 19.603 9.166 0.108 1.00 36.06 C ATOM 200 CE1 HIS A 725 18.027 8.774 1.595 1.00 32.09 C ATOM 201 NE2 HIS A 725 18.267 9.317 0.409 1.00 36.32 N ATOM 0 H HIS A 725 20.730 5.736 1.901 1.00 29.22 H new ATOM 0 HA HIS A 725 21.709 6.803 -0.220 1.00 29.08 H new ATOM 0 HB2 HIS A 725 21.710 7.972 2.351 1.00 31.56 H new ATOM 0 HB3 HIS A 725 22.179 8.749 1.083 1.00 31.56 H new ATOM 0 HD2 HIS A 725 20.033 9.458 -0.663 1.00 36.06 H new ATOM 0 HE1 HIS A 725 17.206 8.754 2.032 1.00 32.09 H new ATOM 0 HE2 HIS A 725 17.683 9.701 -0.092 1.00 36.32 H new ATOM 202 N GLU A 726 24.250 7.214 0.168 1.00 32.44 N ATOM 203 CA GLU A 726 25.697 7.062 0.131 1.00 35.66 C ATOM 204 C GLU A 726 26.307 7.258 1.495 1.00 34.31 C ATOM 205 O GLU A 726 27.051 6.407 1.922 1.00 35.90 O ATOM 206 CB GLU A 726 26.337 8.075 -0.822 1.00 37.90 C ATOM 207 CG GLU A 726 27.862 8.063 -0.843 1.00 42.85 C ATOM 208 CD GLU A 726 28.459 8.907 -1.965 1.00 51.14 C ATOM 209 OE1 GLU A 726 27.729 9.735 -2.543 1.00 51.30 O ATOM 210 OE2 GLU A 726 29.660 8.741 -2.267 1.00 51.32 O ATOM 0 H GLU A 726 23.959 7.812 -0.377 1.00 32.44 H new ATOM 0 HA GLU A 726 25.870 6.159 -0.179 1.00 35.66 H new ATOM 0 HB2 GLU A 726 26.013 7.904 -1.720 1.00 37.90 H new ATOM 0 HB3 GLU A 726 26.037 8.964 -0.577 1.00 37.90 H new ATOM 0 HG2 GLU A 726 28.193 8.388 0.009 1.00 42.85 H new ATOM 0 HG3 GLU A 726 28.170 7.148 -0.936 1.00 42.85 H new ATOM 211 N HIS A 727 26.003 8.388 2.131 1.00 28.80 N ATOM 212 CA HIS A 727 26.547 8.749 3.445 1.00 27.14 C ATOM 213 C HIS A 727 25.654 8.386 4.657 1.00 23.72 C ATOM 214 O HIS A 727 25.997 8.722 5.784 1.00 26.44 O ATOM 215 CB HIS A 727 26.842 10.236 3.485 1.00 31.20 C ATOM 216 CG HIS A 727 27.891 10.668 2.511 1.00 40.81 C ATOM 217 ND1 HIS A 727 29.007 9.907 2.221 1.00 48.73 N ATOM 218 CD2 HIS A 727 28.024 11.807 1.796 1.00 47.75 C ATOM 219 CE1 HIS A 727 29.767 10.547 1.351 1.00 51.20 C ATOM 220 NE2 HIS A 727 29.196 11.707 1.083 1.00 54.98 N ATOM 0 H HIS A 727 25.467 8.977 1.808 1.00 28.80 H new ATOM 0 HA HIS A 727 27.351 8.215 3.537 1.00 27.14 H new ATOM 0 HB2 HIS A 727 26.024 10.725 3.305 1.00 31.20 H new ATOM 0 HB3 HIS A 727 27.125 10.477 4.381 1.00 31.20 H new ATOM 0 HD2 HIS A 727 27.433 12.525 1.788 1.00 47.75 H new ATOM 0 HE1 HIS A 727 30.565 10.235 0.990 1.00 51.20 H new ATOM 0 HE2 HIS A 727 29.507 12.304 0.548 1.00 54.98 H new ATOM 221 N CYS A 728 24.559 7.676 4.421 1.00 23.35 N ATOM 222 CA CYS A 728 23.754 7.048 5.496 1.00 22.70 C ATOM 223 C CYS A 728 24.378 5.677 5.844 1.00 24.12 C ATOM 224 O CYS A 728 24.453 5.303 7.021 1.00 22.70 O ATOM 225 CB CYS A 728 22.308 6.885 5.094 1.00 25.94 C ATOM 226 SG CYS A 728 21.280 8.426 5.215 1.00 26.33 S ATOM 0 H CYS A 728 24.249 7.537 3.631 1.00 23.35 H new ATOM 0 HA CYS A 728 23.765 7.628 6.274 1.00 22.70 H new ATOM 0 HB2 CYS A 728 22.275 6.562 4.180 1.00 25.94 H new ATOM 0 HB3 CYS A 728 21.907 6.200 5.652 1.00 25.94 H new ATOM 227 N HIS A 729 24.797 4.929 4.821 1.00 20.31 N ATOM 228 CA HIS A 729 25.574 3.714 5.084 1.00 22.50 C ATOM 229 C HIS A 729 26.854 4.064 5.838 1.00 19.32 C ATOM 230 O HIS A 729 27.415 5.139 5.686 1.00 21.29 O ATOM 231 CB HIS A 729 25.888 2.936 3.788 1.00 20.36 C ATOM 232 CG HIS A 729 26.263 1.529 4.040 1.00 19.77 C ATOM 233 ND1 HIS A 729 27.567 1.148 4.248 1.00 22.93 N ATOM 234 CD2 HIS A 729 25.512 0.430 4.216 1.00 21.96 C ATOM 235 CE1 HIS A 729 27.612 -0.151 4.467 1.00 21.04 C ATOM 236 NE2 HIS A 729 26.381 -0.608 4.442 1.00 22.92 N ATOM 0 H HIS A 729 24.648 5.100 3.991 1.00 20.31 H new ATOM 0 HA HIS A 729 25.034 3.129 5.638 1.00 22.50 H new ATOM 0 HB2 HIS A 729 25.113 2.960 3.206 1.00 20.36 H new ATOM 0 HB3 HIS A 729 26.611 3.379 3.317 1.00 20.36 H new ATOM 0 HD1 HIS A 729 28.247 1.674 4.237 1.00 22.93 H new ATOM 0 HD2 HIS A 729 24.584 0.382 4.190 1.00 21.96 H new ATOM 0 HE1 HIS A 729 28.380 -0.655 4.613 1.00 21.04 H new ATOM 237 N ILE A 730 27.311 3.158 6.738 1.00 19.27 N ATOM 238 CA ILE A 730 28.588 3.361 7.386 1.00 19.08 C ATOM 239 C ILE A 730 29.328 1.999 7.247 1.00 22.69 C ATOM 240 O ILE A 730 28.734 0.951 7.594 1.00 22.68 O ATOM 241 CB ILE A 730 28.470 3.629 8.899 1.00 19.89 C ATOM 242 CG1 ILE A 730 27.513 4.799 9.155 1.00 19.96 C ATOM 243 CG2 ILE A 730 29.845 3.867 9.483 1.00 19.99 C ATOM 244 CD1 ILE A 730 27.272 5.142 10.652 1.00 20.19 C ATOM 0 H ILE A 730 26.893 2.443 6.969 1.00 19.27 H new ATOM 0 HA ILE A 730 29.028 4.126 6.982 1.00 19.08 H new ATOM 0 HB ILE A 730 28.095 2.853 9.344 1.00 19.89 H new ATOM 0 HG12 ILE A 730 27.862 5.587 8.710 1.00 19.96 H new ATOM 0 HG13 ILE A 730 26.659 4.595 8.743 1.00 19.96 H new ATOM 0 HG21 ILE A 730 29.768 4.035 10.435 1.00 19.99 H new ATOM 0 HG22 ILE A 730 30.399 3.084 9.337 1.00 19.99 H new ATOM 0 HG23 ILE A 730 30.252 4.635 9.051 1.00 19.99 H new ATOM 0 HD11 ILE A 730 26.658 5.890 10.718 1.00 20.19 H new ATOM 0 HD12 ILE A 730 26.893 4.372 11.104 1.00 20.19 H new ATOM 0 HD13 ILE A 730 28.115 5.379 11.070 1.00 20.19 H new ATOM 245 N PRO A 731 30.530 1.997 6.701 1.00 24.74 N ATOM 246 CA PRO A 731 31.181 3.095 6.003 1.00 26.06 C ATOM 247 C PRO A 731 30.405 3.632 4.787 1.00 24.58 C ATOM 248 O PRO A 731 29.503 2.946 4.346 1.00 24.19 O ATOM 249 CB PRO A 731 32.480 2.461 5.492 1.00 30.30 C ATOM 250 CG PRO A 731 32.632 1.188 6.201 1.00 28.96 C ATOM 251 CD PRO A 731 31.256 0.721 6.550 1.00 32.11 C ATOM 0 HA PRO A 731 31.278 3.854 6.599 1.00 26.06 H new ATOM 0 HB2 PRO A 731 32.440 2.319 4.533 1.00 30.30 H new ATOM 0 HB3 PRO A 731 33.237 3.043 5.662 1.00 30.30 H new ATOM 0 HG2 PRO A 731 33.086 0.536 5.644 1.00 28.96 H new ATOM 0 HG3 PRO A 731 33.170 1.301 7.000 1.00 28.96 H new ATOM 0 HD2 PRO A 731 30.873 0.165 5.853 1.00 32.11 H new ATOM 0 HD3 PRO A 731 31.246 0.198 7.367 1.00 32.11 H new ATOM 252 N SER A 732 30.736 4.848 4.305 1.00 28.77 N ATOM 253 CA SER A 732 30.056 5.400 3.062 1.00 36.69 C ATOM 254 C SER A 732 30.081 4.397 1.910 1.00 36.87 C ATOM 255 O SER A 732 31.024 3.590 1.815 1.00 38.43 O ATOM 256 CB SER A 732 30.739 6.648 2.557 1.00 41.07 C ATOM 257 OG SER A 732 30.686 7.648 3.542 1.00 48.03 O ATOM 0 H SER A 732 31.327 5.366 4.655 1.00 28.77 H new ATOM 0 HA SER A 732 29.144 5.592 3.332 1.00 36.69 H new ATOM 0 HB2 SER A 732 31.662 6.453 2.331 1.00 41.07 H new ATOM 0 HB3 SER A 732 30.307 6.958 1.746 1.00 41.07 H new ATOM 0 HG SER A 732 30.232 8.296 3.260 1.00 48.03 H new ATOM 258 N VAL A 733 29.038 4.366 1.088 1.00 40.90 N ATOM 259 CA VAL A 733 28.895 3.252 0.152 1.00 40.03 C ATOM 260 C VAL A 733 30.091 3.292 -0.802 1.00 47.38 C ATOM 261 O VAL A 733 30.505 4.360 -1.251 1.00 47.94 O ATOM 262 CB VAL A 733 27.601 3.244 -0.637 1.00 39.39 C ATOM 263 CG1 VAL A 733 27.616 2.126 -1.681 1.00 35.72 C ATOM 264 CG2 VAL A 733 26.382 3.025 0.267 1.00 39.81 C ATOM 0 H VAL A 733 28.417 4.960 1.054 1.00 40.90 H new ATOM 0 HA VAL A 733 28.868 2.437 0.677 1.00 40.03 H new ATOM 0 HB VAL A 733 27.532 4.112 -1.064 1.00 39.39 H new ATOM 0 HG11 VAL A 733 26.782 2.135 -2.177 1.00 35.72 H new ATOM 0 HG12 VAL A 733 28.356 2.264 -2.292 1.00 35.72 H new ATOM 0 HG13 VAL A 733 27.719 1.270 -1.237 1.00 35.72 H new ATOM 0 HG21 VAL A 733 25.575 3.026 -0.271 1.00 39.81 H new ATOM 0 HG22 VAL A 733 26.465 2.172 0.722 1.00 39.81 H new ATOM 0 HG23 VAL A 733 26.333 3.738 0.923 1.00 39.81 H new ATOM 265 N GLU A 734 30.670 2.110 -1.024 1.00 57.52 N ATOM 266 CA GLU A 734 31.949 1.943 -1.736 1.00 66.52 C ATOM 267 C GLU A 734 31.736 2.214 -3.257 1.00 70.76 C ATOM 268 O GLU A 734 30.681 1.857 -3.809 1.00 60.49 O ATOM 269 CB GLU A 734 32.532 0.537 -1.445 1.00 66.56 C ATOM 270 CG GLU A 734 32.931 0.261 0.027 1.00 64.52 C ATOM 271 CD GLU A 734 31.777 0.045 1.043 1.00 70.98 C ATOM 272 OE1 GLU A 734 30.709 -0.463 0.688 1.00 68.06 O ATOM 273 OE2 GLU A 734 31.907 0.376 2.241 1.00 72.10 O ATOM 0 H GLU A 734 30.327 1.367 -0.761 1.00 57.52 H new ATOM 0 HA GLU A 734 32.602 2.587 -1.420 1.00 66.52 H new ATOM 0 HB2 GLU A 734 31.879 -0.127 -1.715 1.00 66.56 H new ATOM 0 HB3 GLU A 734 33.315 0.408 -2.004 1.00 66.56 H new ATOM 0 HG2 GLU A 734 33.498 -0.526 0.043 1.00 64.52 H new ATOM 0 HG3 GLU A 734 33.470 1.005 0.337 1.00 64.52 H new ATOM 274 N ALA A 735 32.713 2.887 -3.894 1.00 82.41 N ATOM 275 CA ALA A 735 32.608 3.394 -5.293 1.00 87.66 C ATOM 276 C ALA A 735 32.279 2.307 -6.314 1.00 94.30 C ATOM 277 O ALA A 735 31.327 2.435 -7.100 1.00102.70 O ATOM 278 CB ALA A 735 33.892 4.104 -5.714 1.00 83.48 C ATOM 0 H ALA A 735 33.468 3.067 -3.525 1.00 82.41 H new ATOM 0 HA ALA A 735 31.866 4.019 -5.286 1.00 87.66 H new ATOM 0 HB1 ALA A 735 33.801 4.425 -6.625 1.00 83.48 H new ATOM 0 HB2 ALA A 735 34.056 4.855 -5.122 1.00 83.48 H new ATOM 0 HB3 ALA A 735 34.636 3.484 -5.663 1.00 83.48 H new ATOM 279 N ASN A 736 33.064 1.237 -6.296 1.00 91.52 N ATOM 280 CA ASN A 736 32.824 0.110 -7.180 1.00 99.01 C ATOM 281 C ASN A 736 32.387 -1.111 -6.327 1.00 99.95 C ATOM 282 O ASN A 736 31.515 -0.941 -5.467 1.00106.84 O ATOM 283 CB ASN A 736 34.044 -0.084 -8.106 1.00100.88 C ATOM 284 CG ASN A 736 33.660 -0.649 -9.464 1.00 94.89 C ATOM 285 OD1 ASN A 736 33.434 -1.847 -9.589 1.00108.70 O ATOM 286 ND2 ASN A 736 33.566 0.213 -10.483 1.00 79.84 N ATOM 0 H ASN A 736 33.743 1.146 -5.776 1.00 91.52 H new ATOM 0 HA ASN A 736 32.086 0.259 -7.792 1.00 99.01 H new ATOM 0 HB2 ASN A 736 34.492 0.768 -8.228 1.00100.88 H new ATOM 0 HB3 ASN A 736 34.679 -0.680 -7.679 1.00100.88 H new ATOM 0 HD21 ASN A 736 33.339 -0.067 -11.264 1.00 79.84 H new ATOM 0 HD22 ASN A 736 33.732 1.047 -10.357 1.00 79.84 H new ATOM 287 N LYS A 737 32.960 -2.303 -6.540 1.00 99.51 N ATOM 288 CA LYS A 737 32.530 -3.537 -5.875 1.00 95.87 C ATOM 289 C LYS A 737 31.169 -3.988 -6.425 1.00 94.52 C ATOM 290 O LYS A 737 30.123 -3.500 -6.002 1.00 95.15 O ATOM 291 CB LYS A 737 32.504 -3.388 -4.334 1.00 92.78 C ATOM 0 H LYS A 737 33.618 -2.416 -7.082 1.00 99.51 H new ATOM 0 HA LYS A 737 33.183 -4.227 -6.072 1.00 95.87 H new ATOM 292 N ASN A 738 31.195 -4.888 -7.406 1.00 88.78 N ATOM 293 CA ASN A 738 29.990 -5.613 -7.841 1.00 88.29 C ATOM 294 C ASN A 738 30.286 -7.098 -7.649 1.00 85.00 C ATOM 295 O ASN A 738 31.312 -7.547 -8.129 1.00 95.19 O ATOM 296 CB ASN A 738 29.660 -5.333 -9.306 1.00 93.00 C ATOM 297 CG ASN A 738 29.853 -3.863 -9.687 1.00 93.79 C ATOM 298 OD1 ASN A 738 30.905 -3.272 -9.427 1.00 88.34 O ATOM 299 ND2 ASN A 738 28.847 -3.275 -10.326 1.00 94.18 N ATOM 0 H ASN A 738 31.907 -5.098 -7.840 1.00 88.78 H new ATOM 0 HA ASN A 738 29.222 -5.326 -7.322 1.00 88.29 H new ATOM 0 HB2 ASN A 738 30.222 -5.886 -9.871 1.00 93.00 H new ATOM 0 HB3 ASN A 738 28.741 -5.590 -9.481 1.00 93.00 H new ATOM 0 HD21 ASN A 738 28.916 -2.454 -10.574 1.00 94.18 H new ATOM 0 HD22 ASN A 738 28.127 -3.715 -10.492 1.00 94.18 H new ATOM 300 N PRO A 739 29.483 -7.857 -6.905 1.00 76.62 N ATOM 301 CA PRO A 739 28.380 -7.352 -6.114 1.00 73.33 C ATOM 302 C PRO A 739 28.845 -6.544 -4.867 1.00 65.40 C ATOM 303 O PRO A 739 30.017 -6.606 -4.456 1.00 62.69 O ATOM 304 CB PRO A 739 27.661 -8.646 -5.703 1.00 75.71 C ATOM 305 CG PRO A 739 28.753 -9.691 -5.638 1.00 71.85 C ATOM 306 CD PRO A 739 29.943 -9.168 -6.398 1.00 69.99 C ATOM 0 HA PRO A 739 27.826 -6.723 -6.603 1.00 73.33 H new ATOM 0 HB2 PRO A 739 27.218 -8.546 -4.846 1.00 75.71 H new ATOM 0 HB3 PRO A 739 26.979 -8.890 -6.348 1.00 75.71 H new ATOM 0 HG2 PRO A 739 28.993 -9.874 -4.716 1.00 71.85 H new ATOM 0 HG3 PRO A 739 28.446 -10.527 -6.022 1.00 71.85 H new ATOM 0 HD2 PRO A 739 30.720 -9.076 -5.825 1.00 69.99 H new ATOM 0 HD3 PRO A 739 30.193 -9.763 -7.122 1.00 69.99 H new ATOM 307 N TRP A 740 27.917 -5.778 -4.299 1.00 56.45 N ATOM 308 CA TRP A 740 28.145 -5.037 -3.042 1.00 50.75 C ATOM 309 C TRP A 740 27.257 -5.582 -1.928 1.00 42.89 C ATOM 310 O TRP A 740 26.064 -5.858 -2.119 1.00 44.74 O ATOM 311 CB TRP A 740 27.894 -3.549 -3.253 1.00 52.04 C ATOM 312 CG TRP A 740 28.027 -2.738 -1.994 1.00 48.79 C ATOM 313 CD1 TRP A 740 29.174 -2.377 -1.374 1.00 48.21 C ATOM 314 CD2 TRP A 740 26.955 -2.180 -1.231 1.00 41.58 C ATOM 315 NE1 TRP A 740 28.891 -1.609 -0.273 1.00 45.08 N ATOM 316 CE2 TRP A 740 27.536 -1.475 -0.156 1.00 41.23 C ATOM 317 CE3 TRP A 740 25.565 -2.200 -1.360 1.00 38.17 C ATOM 318 CZ2 TRP A 740 26.789 -0.839 0.807 1.00 38.00 C ATOM 319 CZ3 TRP A 740 24.801 -1.525 -0.418 1.00 39.52 C ATOM 320 CH2 TRP A 740 25.420 -0.846 0.655 1.00 38.93 C ATOM 0 H TRP A 740 27.130 -5.668 -4.628 1.00 56.45 H new ATOM 0 HA TRP A 740 29.070 -5.158 -2.776 1.00 50.75 H new ATOM 0 HB2 TRP A 740 28.519 -3.213 -3.914 1.00 52.04 H new ATOM 0 HB3 TRP A 740 27.003 -3.426 -3.617 1.00 52.04 H new ATOM 0 HD1 TRP A 740 30.029 -2.615 -1.653 1.00 48.21 H new ATOM 0 HE1 TRP A 740 29.474 -1.266 0.259 1.00 45.08 H new ATOM 0 HE3 TRP A 740 25.160 -2.656 -2.062 1.00 38.17 H new ATOM 0 HZ2 TRP A 740 27.192 -0.420 1.533 1.00 38.00 H new ATOM 0 HZ3 TRP A 740 23.874 -1.520 -0.494 1.00 39.52 H new ATOM 0 HH2 TRP A 740 24.892 -0.394 1.272 1.00 38.93 H new ATOM 321 N SER A 741 27.855 -5.801 -0.766 1.00 41.37 N ATOM 322 CA SER A 741 27.118 -6.297 0.400 1.00 34.89 C ATOM 323 C SER A 741 27.144 -5.164 1.491 1.00 30.87 C ATOM 324 O SER A 741 28.172 -4.605 1.798 1.00 27.71 O ATOM 325 CB SER A 741 27.756 -7.605 0.898 1.00 39.27 C ATOM 326 OG SER A 741 27.063 -8.767 0.403 1.00 41.47 O ATOM 0 H SER A 741 28.693 -5.669 -0.626 1.00 41.37 H new ATOM 0 HA SER A 741 26.196 -6.503 0.181 1.00 34.89 H new ATOM 0 HB2 SER A 741 28.684 -7.639 0.617 1.00 39.27 H new ATOM 0 HB3 SER A 741 27.753 -7.616 1.868 1.00 39.27 H new ATOM 0 HG SER A 741 26.241 -8.689 0.555 1.00 41.47 H new ATOM 327 N CYS A 742 25.974 -4.822 2.001 1.00 29.76 N ATOM 328 CA CYS A 742 25.805 -3.866 3.102 1.00 28.85 C ATOM 329 C CYS A 742 26.311 -4.418 4.463 1.00 25.87 C ATOM 330 O CYS A 742 26.485 -5.626 4.706 1.00 23.43 O ATOM 331 CB CYS A 742 24.278 -3.466 3.237 1.00 24.33 C ATOM 332 SG CYS A 742 23.198 -4.478 4.206 1.00 28.42 S ATOM 0 H CYS A 742 25.230 -5.144 1.714 1.00 29.76 H new ATOM 0 HA CYS A 742 26.344 -3.089 2.884 1.00 28.85 H new ATOM 0 HB2 CYS A 742 24.243 -2.569 3.604 1.00 24.33 H new ATOM 0 HB3 CYS A 742 23.909 -3.421 2.341 1.00 24.33 H new ATOM 333 N ILE A 743 26.476 -3.473 5.376 1.00 25.08 N ATOM 334 CA ILE A 743 26.910 -3.724 6.716 1.00 22.58 C ATOM 335 C ILE A 743 26.071 -4.720 7.485 1.00 23.16 C ATOM 336 O ILE A 743 26.629 -5.544 8.244 1.00 23.76 O ATOM 337 CB ILE A 743 27.085 -2.401 7.470 1.00 24.75 C ATOM 338 CG1 ILE A 743 27.861 -2.734 8.774 1.00 23.81 C ATOM 339 CG2 ILE A 743 25.747 -1.737 7.693 1.00 23.21 C ATOM 340 CD1 ILE A 743 28.525 -1.555 9.376 1.00 27.97 C ATOM 0 H ILE A 743 26.330 -2.641 5.216 1.00 25.08 H new ATOM 0 HA ILE A 743 27.771 -4.164 6.642 1.00 22.58 H new ATOM 0 HB ILE A 743 27.596 -1.750 6.964 1.00 24.75 H new ATOM 0 HG12 ILE A 743 27.247 -3.117 9.420 1.00 23.81 H new ATOM 0 HG13 ILE A 743 28.529 -3.411 8.582 1.00 23.81 H new ATOM 0 HG21 ILE A 743 25.875 -0.903 8.171 1.00 23.21 H new ATOM 0 HG22 ILE A 743 25.328 -1.558 6.837 1.00 23.21 H new ATOM 0 HG23 ILE A 743 25.177 -2.324 8.215 1.00 23.21 H new ATOM 0 HD11 ILE A 743 28.991 -1.823 10.183 1.00 27.97 H new ATOM 0 HD12 ILE A 743 29.161 -1.184 8.744 1.00 27.97 H new ATOM 0 HD13 ILE A 743 27.859 -0.885 9.595 1.00 27.97 H new ATOM 341 N PHE A 744 24.736 -4.769 7.247 1.00 25.30 N ATOM 342 CA PHE A 744 23.926 -5.783 7.931 1.00 25.20 C ATOM 343 C PHE A 744 24.374 -7.200 7.442 1.00 27.65 C ATOM 344 O PHE A 744 24.470 -8.184 8.214 1.00 25.48 O ATOM 345 CB PHE A 744 22.379 -5.633 7.680 1.00 26.72 C ATOM 346 CG PHE A 744 21.748 -4.414 8.287 1.00 22.35 C ATOM 347 CD1 PHE A 744 21.868 -3.205 7.683 1.00 24.14 C ATOM 348 CD2 PHE A 744 20.968 -4.518 9.419 1.00 20.98 C ATOM 349 CE1 PHE A 744 21.278 -2.071 8.235 1.00 22.17 C ATOM 350 CE2 PHE A 744 20.342 -3.421 9.950 1.00 21.54 C ATOM 351 CZ PHE A 744 20.510 -2.183 9.362 1.00 21.42 C ATOM 0 H PHE A 744 24.307 -4.246 6.717 1.00 25.30 H new ATOM 0 HA PHE A 744 24.072 -5.662 8.882 1.00 25.20 H new ATOM 0 HB2 PHE A 744 22.221 -5.619 6.723 1.00 26.72 H new ATOM 0 HB3 PHE A 744 21.931 -6.419 8.030 1.00 26.72 H new ATOM 0 HD1 PHE A 744 22.350 -3.133 6.891 1.00 24.14 H new ATOM 0 HD2 PHE A 744 20.865 -5.346 9.829 1.00 20.98 H new ATOM 0 HE1 PHE A 744 21.406 -1.239 7.839 1.00 22.17 H new ATOM 0 HE2 PHE A 744 19.805 -3.510 10.704 1.00 21.54 H new ATOM 0 HZ PHE A 744 20.104 -1.431 9.729 1.00 21.42 H new ATOM 352 N CYS A 745 24.621 -7.291 6.144 1.00 29.55 N ATOM 353 CA CYS A 745 25.053 -8.593 5.544 1.00 30.60 C ATOM 354 C CYS A 745 26.446 -8.988 6.049 1.00 28.60 C ATOM 355 O CYS A 745 26.693 -10.163 6.372 1.00 29.18 O ATOM 356 CB CYS A 745 25.037 -8.521 3.992 1.00 29.43 C ATOM 357 SG CYS A 745 23.339 -8.550 3.373 1.00 36.15 S ATOM 0 H CYS A 745 24.553 -6.639 5.587 1.00 29.55 H new ATOM 0 HA CYS A 745 24.422 -9.275 5.822 1.00 30.60 H new ATOM 0 HB2 CYS A 745 25.481 -7.711 3.696 1.00 29.43 H new ATOM 0 HB3 CYS A 745 25.534 -9.268 3.623 1.00 29.43 H new ATOM 358 N ARG A 746 27.340 -8.012 6.088 1.00 24.70 N ATOM 359 CA ARG A 746 28.705 -8.268 6.549 1.00 26.76 C ATOM 360 C ARG A 746 28.733 -8.696 8.005 1.00 25.20 C ATOM 361 O ARG A 746 29.482 -9.617 8.356 1.00 27.73 O ATOM 362 CB ARG A 746 29.583 -7.090 6.325 1.00 27.67 C ATOM 363 CG ARG A 746 29.722 -6.831 4.870 1.00 29.89 C ATOM 364 CD ARG A 746 30.391 -5.543 4.608 1.00 33.01 C ATOM 365 NE ARG A 746 31.767 -5.576 5.062 1.00 41.50 N ATOM 366 CZ ARG A 746 32.544 -4.501 5.206 1.00 49.60 C ATOM 367 NH1 ARG A 746 32.079 -3.260 4.920 1.00 55.78 N ATOM 368 NH2 ARG A 746 33.789 -4.660 5.644 1.00 45.18 N ATOM 0 H ARG A 746 27.183 -7.199 5.855 1.00 24.70 H new ATOM 0 HA ARG A 746 29.052 -9.003 6.020 1.00 26.76 H new ATOM 0 HB2 ARG A 746 29.210 -6.311 6.766 1.00 27.67 H new ATOM 0 HB3 ARG A 746 30.456 -7.248 6.718 1.00 27.67 H new ATOM 0 HG2 ARG A 746 30.229 -7.549 4.460 1.00 29.89 H new ATOM 0 HG3 ARG A 746 28.845 -6.831 4.456 1.00 29.89 H new ATOM 0 HD2 ARG A 746 30.364 -5.347 3.658 1.00 33.01 H new ATOM 0 HD3 ARG A 746 29.914 -4.829 5.059 1.00 33.01 H new ATOM 0 HE ARG A 746 32.107 -6.343 5.252 1.00 41.50 H new ATOM 0 HH11 ARG A 746 31.272 -3.157 4.641 1.00 55.78 H new ATOM 0 HH12 ARG A 746 32.591 -2.576 5.017 1.00 55.78 H new ATOM 0 HH21 ARG A 746 34.082 -5.447 5.830 1.00 45.18 H new ATOM 0 HH22 ARG A 746 34.301 -3.976 5.742 1.00 45.18 H new ATOM 369 N ILE A 747 27.860 -8.129 8.839 1.00 24.39 N ATOM 370 CA ILE A 747 27.756 -8.534 10.255 1.00 24.63 C ATOM 371 C ILE A 747 27.171 -9.960 10.390 1.00 27.31 C ATOM 372 O ILE A 747 27.643 -10.792 11.184 1.00 25.40 O ATOM 373 CB ILE A 747 26.925 -7.533 11.083 1.00 25.29 C ATOM 374 CG1 ILE A 747 27.659 -6.213 11.204 1.00 24.43 C ATOM 375 CG2 ILE A 747 26.552 -8.129 12.419 1.00 27.93 C ATOM 376 CD1 ILE A 747 28.847 -6.123 12.166 1.00 27.06 C ATOM 0 H ILE A 747 27.315 -7.505 8.609 1.00 24.39 H new ATOM 0 HA ILE A 747 28.658 -8.536 10.612 1.00 24.63 H new ATOM 0 HB ILE A 747 26.091 -7.347 10.623 1.00 25.29 H new ATOM 0 HG12 ILE A 747 27.976 -5.970 10.320 1.00 24.43 H new ATOM 0 HG13 ILE A 747 27.013 -5.540 11.469 1.00 24.43 H new ATOM 0 HG21 ILE A 747 26.031 -7.487 12.926 1.00 27.93 H new ATOM 0 HG22 ILE A 747 26.027 -8.933 12.280 1.00 27.93 H new ATOM 0 HG23 ILE A 747 27.358 -8.351 12.911 1.00 27.93 H new ATOM 0 HD11 ILE A 747 29.217 -5.227 12.141 1.00 27.06 H new ATOM 0 HD12 ILE A 747 28.550 -6.324 13.067 1.00 27.06 H new ATOM 0 HD13 ILE A 747 29.528 -6.761 11.900 1.00 27.06 H new ATOM 377 N LYS A 748 26.152 -10.240 9.615 1.00 32.34 N ATOM 378 CA LYS A 748 25.576 -11.604 9.580 1.00 34.84 C ATOM 379 C LYS A 748 26.647 -12.642 9.182 1.00 31.80 C ATOM 380 O LYS A 748 26.749 -13.694 9.797 1.00 30.33 O ATOM 381 CB LYS A 748 24.360 -11.652 8.642 1.00 39.14 C ATOM 382 CG LYS A 748 23.584 -12.961 8.737 1.00 47.14 C ATOM 383 CD LYS A 748 22.788 -13.300 7.476 1.00 59.59 C ATOM 384 CE LYS A 748 21.718 -12.267 7.160 1.00 69.41 C ATOM 385 NZ LYS A 748 20.768 -11.978 8.277 1.00 79.59 N ATOM 0 H LYS A 748 25.766 -9.672 9.097 1.00 32.34 H new ATOM 0 HA LYS A 748 25.269 -11.833 10.471 1.00 34.84 H new ATOM 0 HB2 LYS A 748 23.766 -10.914 8.852 1.00 39.14 H new ATOM 0 HB3 LYS A 748 24.658 -11.524 7.728 1.00 39.14 H new ATOM 0 HG2 LYS A 748 24.205 -13.683 8.921 1.00 47.14 H new ATOM 0 HG3 LYS A 748 22.975 -12.912 9.490 1.00 47.14 H new ATOM 0 HD2 LYS A 748 23.396 -13.370 6.724 1.00 59.59 H new ATOM 0 HD3 LYS A 748 22.371 -14.169 7.586 1.00 59.59 H new ATOM 0 HE2 LYS A 748 22.153 -11.439 6.901 1.00 69.41 H new ATOM 0 HE3 LYS A 748 21.210 -12.572 6.392 1.00 69.41 H new ATOM 0 HZ1 LYS A 748 19.937 -11.946 7.960 1.00 79.59 H new ATOM 0 HZ2 LYS A 748 20.826 -12.620 8.890 1.00 79.59 H new ATOM 0 HZ3 LYS A 748 20.974 -11.195 8.647 1.00 79.59 H new ATOM 386 N THR A 749 27.480 -12.340 8.194 1.00 30.13 N ATOM 387 CA THR A 749 28.518 -13.289 7.798 1.00 30.41 C ATOM 388 C THR A 749 29.502 -13.627 8.902 1.00 38.24 C ATOM 389 O THR A 749 29.906 -14.799 9.034 1.00 35.25 O ATOM 390 CB THR A 749 29.253 -12.739 6.566 1.00 32.98 C ATOM 391 OG1 THR A 749 28.304 -12.689 5.516 1.00 34.59 O ATOM 392 CG2 THR A 749 30.443 -13.620 6.160 1.00 33.24 C ATOM 0 H THR A 749 27.465 -11.606 7.746 1.00 30.13 H new ATOM 0 HA THR A 749 28.074 -14.125 7.588 1.00 30.41 H new ATOM 0 HB THR A 749 29.618 -11.863 6.765 1.00 32.98 H new ATOM 0 HG1 THR A 749 27.801 -12.025 5.624 1.00 34.59 H new ATOM 0 HG21 THR A 749 30.877 -13.238 5.381 1.00 33.24 H new ATOM 0 HG22 THR A 749 31.077 -13.666 6.893 1.00 33.24 H new ATOM 0 HG23 THR A 749 30.128 -14.513 5.949 1.00 33.24 H new ATOM 393 N ILE A 750 29.921 -12.616 9.678 1.00 39.79 N ATOM 394 CA ILE A 750 30.811 -12.816 10.843 1.00 41.97 C ATOM 395 C ILE A 750 30.224 -13.847 11.776 1.00 42.33 C ATOM 396 O ILE A 750 30.936 -14.776 12.176 1.00 42.77 O ATOM 397 CB ILE A 750 31.051 -11.567 11.736 1.00 46.19 C ATOM 398 CG1 ILE A 750 31.594 -10.345 10.990 1.00 49.27 C ATOM 399 CG2 ILE A 750 31.994 -11.895 12.890 1.00 48.40 C ATOM 400 CD1 ILE A 750 32.689 -10.641 10.022 1.00 54.03 C ATOM 0 H ILE A 750 29.699 -11.796 9.546 1.00 39.79 H new ATOM 0 HA ILE A 750 31.652 -13.073 10.435 1.00 41.97 H new ATOM 0 HB ILE A 750 30.170 -11.329 12.065 1.00 46.19 H new ATOM 0 HG12 ILE A 750 30.863 -9.921 10.513 1.00 49.27 H new ATOM 0 HG13 ILE A 750 31.919 -9.702 11.640 1.00 49.27 H new ATOM 0 HG21 ILE A 750 32.129 -11.103 13.433 1.00 48.40 H new ATOM 0 HG22 ILE A 750 31.607 -12.598 13.435 1.00 48.40 H new ATOM 0 HG23 ILE A 750 32.847 -12.194 12.537 1.00 48.40 H new ATOM 0 HD11 ILE A 750 32.975 -9.818 9.595 1.00 54.03 H new ATOM 0 HD12 ILE A 750 33.439 -11.038 10.493 1.00 54.03 H new ATOM 0 HD13 ILE A 750 32.367 -11.260 9.348 1.00 54.03 H new ATOM 401 N GLN A 751 28.955 -13.680 12.136 1.00 42.03 N ATOM 402 CA GLN A 751 28.262 -14.624 13.015 1.00 47.11 C ATOM 403 C GLN A 751 28.173 -16.044 12.457 1.00 47.19 C ATOM 404 O GLN A 751 28.340 -17.007 13.201 1.00 56.70 O ATOM 405 CB GLN A 751 26.839 -14.162 13.309 1.00 51.17 C ATOM 406 CG GLN A 751 26.739 -12.940 14.193 1.00 59.19 C ATOM 407 CD GLN A 751 25.315 -12.436 14.282 1.00 63.73 C ATOM 408 OE1 GLN A 751 24.359 -13.196 14.075 1.00 65.41 O ATOM 409 NE2 GLN A 751 25.161 -11.156 14.570 1.00 64.04 N ATOM 0 H GLN A 751 28.470 -13.018 11.879 1.00 42.03 H new ATOM 0 HA GLN A 751 28.802 -14.643 13.820 1.00 47.11 H new ATOM 0 HB2 GLN A 751 26.393 -13.975 12.468 1.00 51.17 H new ATOM 0 HB3 GLN A 751 26.356 -14.891 13.730 1.00 51.17 H new ATOM 0 HG2 GLN A 751 27.064 -13.154 15.081 1.00 59.19 H new ATOM 0 HG3 GLN A 751 27.311 -12.239 13.844 1.00 59.19 H new ATOM 0 HE21 GLN A 751 25.850 -10.660 14.707 1.00 64.04 H new ATOM 0 HE22 GLN A 751 24.372 -10.819 14.620 1.00 64.04 H new ATOM 410 N GLU A 752 27.895 -16.151 11.160 1.00 43.34 N ATOM 411 CA GLU A 752 27.793 -17.427 10.461 1.00 42.78 C ATOM 412 C GLU A 752 29.137 -18.164 10.377 1.00 40.23 C ATOM 413 O GLU A 752 29.201 -19.378 10.553 1.00 45.64 O ATOM 414 CB GLU A 752 27.198 -17.211 9.066 1.00 45.52 C ATOM 415 CG GLU A 752 25.723 -16.861 9.133 1.00 49.18 C ATOM 416 CD GLU A 752 25.109 -16.511 7.789 1.00 55.20 C ATOM 417 OE1 GLU A 752 25.840 -16.409 6.775 1.00 52.19 O ATOM 418 OE2 GLU A 752 23.861 -16.328 7.772 1.00 63.38 O ATOM 0 H GLU A 752 27.758 -15.470 10.653 1.00 43.34 H new ATOM 0 HA GLU A 752 27.201 -17.996 10.977 1.00 42.78 H new ATOM 0 HB2 GLU A 752 27.679 -16.500 8.615 1.00 45.52 H new ATOM 0 HB3 GLU A 752 27.316 -18.014 8.535 1.00 45.52 H new ATOM 0 HG2 GLU A 752 25.239 -17.611 9.514 1.00 49.18 H new ATOM 0 HG3 GLU A 752 25.605 -16.111 9.737 1.00 49.18 H new ATOM 419 N ARG A 753 30.211 -17.425 10.181 1.00 38.42 N ATOM 420 CA ARG A 753 31.550 -17.991 10.170 1.00 38.90 C ATOM 421 C ARG A 753 32.018 -18.429 11.531 1.00 43.15 C ATOM 422 O ARG A 753 32.861 -19.330 11.579 1.00 52.55 O ATOM 423 CB ARG A 753 32.581 -17.064 9.553 1.00 40.26 C ATOM 424 CG ARG A 753 32.410 -16.935 8.042 1.00 49.59 C ATOM 425 CD ARG A 753 33.497 -16.075 7.371 1.00 55.24 C ATOM 426 NE ARG A 753 33.518 -16.353 5.932 1.00 59.23 N ATOM 427 CZ ARG A 753 33.795 -15.480 4.971 1.00 64.26 C ATOM 428 NH1 ARG A 753 34.119 -14.212 5.235 1.00 63.87 N ATOM 429 NH2 ARG A 753 33.746 -15.897 3.712 1.00 70.97 N ATOM 0 H ARG A 753 30.187 -16.575 10.049 1.00 38.42 H new ATOM 0 HA ARG A 753 31.473 -18.778 9.609 1.00 38.90 H new ATOM 0 HB2 ARG A 753 32.510 -16.187 9.961 1.00 40.26 H new ATOM 0 HB3 ARG A 753 33.471 -17.397 9.749 1.00 40.26 H new ATOM 0 HG2 ARG A 753 32.418 -17.821 7.646 1.00 49.59 H new ATOM 0 HG3 ARG A 753 31.540 -16.549 7.854 1.00 49.59 H new ATOM 0 HD2 ARG A 753 33.321 -15.134 7.526 1.00 55.24 H new ATOM 0 HD3 ARG A 753 34.364 -16.269 7.761 1.00 55.24 H new ATOM 0 HE ARG A 753 33.334 -17.157 5.687 1.00 59.23 H new ATOM 0 HH11 ARG A 753 34.153 -13.938 6.049 1.00 63.87 H new ATOM 0 HH12 ARG A 753 34.293 -13.670 4.591 1.00 63.87 H new ATOM 0 HH21 ARG A 753 33.539 -16.713 3.537 1.00 70.97 H new ATOM 0 HH22 ARG A 753 33.921 -15.351 3.071 1.00 70.97 H new ATOM 430 N CYS A 754 31.505 -17.835 12.622 1.00 34.87 N ATOM 431 CA ACYS A 754 31.883 -18.227 13.977 0.55 37.36 C ATOM 432 CA BCYS A 754 31.939 -18.184 13.980 0.45 34.48 C ATOM 433 C CYS A 754 30.684 -18.158 14.881 1.00 35.46 C ATOM 434 O CYS A 754 30.487 -17.192 15.618 1.00 33.49 O ATOM 435 CB ACYS A 754 32.980 -17.346 14.509 0.55 38.25 C ATOM 436 CB BCYS A 754 33.034 -17.175 14.418 0.45 32.53 C ATOM 437 SG ACYS A 754 34.508 -17.807 13.736 0.55 49.04 S ATOM 438 SG BCYS A 754 33.989 -17.366 15.971 0.45 31.54 S ATOM 0 H ACYS A 754 30.930 -17.196 12.589 0.55 34.87 H new ATOM 0 H BCYS A 754 30.901 -17.224 12.592 0.45 34.87 H new ATOM 0 HA ACYS A 754 32.214 -19.138 13.949 0.55 34.48 H new ATOM 0 HA BCYS A 754 32.332 -19.069 14.039 0.45 34.48 H new ATOM 0 HB2ACYS A 754 32.780 -16.414 14.328 0.55 32.53 H new ATOM 0 HB2BCYS A 754 33.682 -17.139 13.697 0.45 32.53 H new ATOM 0 HB3ACYS A 754 33.049 -17.440 15.472 0.55 32.53 H new ATOM 0 HB3BCYS A 754 32.608 -16.305 14.460 0.45 32.53 H new ATOM 0 HG ACYS A 754 34.286 -18.554 12.823 0.55 31.54 H new ATOM 0 HG BCYS A 754 34.769 -16.460 16.075 0.45 31.54 H new ATOM 439 N PRO A 755 29.839 -19.223 14.827 1.00 36.06 N ATOM 440 CA PRO A 755 28.612 -19.240 15.618 1.00 33.25 C ATOM 441 C PRO A 755 28.839 -18.975 17.113 1.00 32.20 C ATOM 442 O PRO A 755 27.966 -18.351 17.762 1.00 33.03 O ATOM 443 CB PRO A 755 28.042 -20.651 15.371 1.00 37.97 C ATOM 444 CG PRO A 755 28.692 -21.122 14.095 1.00 37.27 C ATOM 445 CD PRO A 755 30.031 -20.488 14.061 1.00 35.01 C ATOM 0 HA PRO A 755 28.009 -18.528 15.353 1.00 33.25 H new ATOM 0 HB2 PRO A 755 28.247 -21.246 16.109 1.00 37.97 H new ATOM 0 HB3 PRO A 755 27.076 -20.629 15.285 1.00 37.97 H new ATOM 0 HG2 PRO A 755 28.765 -22.089 14.079 1.00 37.27 H new ATOM 0 HG3 PRO A 755 28.166 -20.864 13.322 1.00 37.27 H new ATOM 0 HD2 PRO A 755 30.704 -21.054 14.470 1.00 35.01 H new ATOM 0 HD3 PRO A 755 30.321 -20.314 13.152 1.00 35.01 H new ATOM 446 N GLU A 756 30.006 -19.369 17.624 1.00 32.14 N ATOM 447 CA GLU A 756 30.348 -19.194 19.029 1.00 34.05 C ATOM 448 C GLU A 756 30.571 -17.762 19.469 1.00 33.43 C ATOM 449 O GLU A 756 30.546 -17.500 20.654 1.00 28.44 O ATOM 450 CB GLU A 756 31.569 -20.042 19.426 1.00 38.33 C ATOM 451 CG GLU A 756 32.912 -19.615 18.851 1.00 49.69 C ATOM 452 CD GLU A 756 33.206 -20.144 17.419 1.00 56.30 C ATOM 453 OE1 GLU A 756 32.271 -20.335 16.580 1.00 57.46 O ATOM 454 OE2 GLU A 756 34.403 -20.353 17.107 1.00 70.26 O ATOM 0 H GLU A 756 30.623 -19.747 17.159 1.00 32.14 H new ATOM 0 HA GLU A 756 29.556 -19.502 19.496 1.00 34.05 H new ATOM 0 HB2 GLU A 756 31.639 -20.039 20.393 1.00 38.33 H new ATOM 0 HB3 GLU A 756 31.402 -20.959 19.157 1.00 38.33 H new ATOM 0 HG2 GLU A 756 32.951 -18.646 18.838 1.00 49.69 H new ATOM 0 HG3 GLU A 756 33.616 -19.919 19.445 1.00 49.69 H new ATOM 455 N SER A 757 30.810 -16.860 18.498 1.00 32.46 N ATOM 456 CA SER A 757 30.868 -15.397 18.699 1.00 31.23 C ATOM 457 C SER A 757 29.555 -14.862 19.329 1.00 30.13 C ATOM 458 O SER A 757 29.561 -13.829 19.921 1.00 29.26 O ATOM 459 CB SER A 757 31.152 -14.700 17.345 1.00 30.31 C ATOM 460 OG SER A 757 29.969 -14.754 16.495 1.00 32.12 O ATOM 0 H SER A 757 30.947 -17.091 17.681 1.00 32.46 H new ATOM 0 HA SER A 757 31.588 -15.197 19.318 1.00 31.23 H new ATOM 0 HB2 SER A 757 31.408 -13.777 17.496 1.00 30.31 H new ATOM 0 HB3 SER A 757 31.898 -15.133 16.901 1.00 30.31 H new ATOM 0 HG SER A 757 29.949 -15.489 16.089 1.00 32.12 H new ATOM 461 N GLN A 758 28.454 -15.598 19.248 1.00 29.32 N ATOM 462 CA GLN A 758 27.225 -15.198 19.921 1.00 32.98 C ATOM 463 C GLN A 758 27.073 -15.683 21.351 1.00 29.41 C ATOM 464 O GLN A 758 26.116 -15.289 22.003 1.00 25.79 O ATOM 465 CB GLN A 758 25.982 -15.640 19.138 1.00 36.96 C ATOM 466 CG GLN A 758 25.921 -15.094 17.717 1.00 43.46 C ATOM 467 CD GLN A 758 25.029 -15.993 16.885 1.00 58.64 C ATOM 468 OE1 GLN A 758 25.512 -16.973 16.269 1.00 66.50 O ATOM 469 NE2 GLN A 758 23.712 -15.761 16.966 1.00 59.50 N ATOM 0 H GLN A 758 28.397 -16.334 18.807 1.00 29.32 H new ATOM 0 HA GLN A 758 27.298 -14.231 19.954 1.00 32.98 H new ATOM 0 HB2 GLN A 758 25.960 -16.609 19.104 1.00 36.96 H new ATOM 0 HB3 GLN A 758 25.189 -15.355 19.619 1.00 36.96 H new ATOM 0 HG2 GLN A 758 25.575 -14.188 17.720 1.00 43.46 H new ATOM 0 HG3 GLN A 758 26.811 -15.056 17.333 1.00 43.46 H new ATOM 0 HE21 GLN A 758 23.422 -15.077 17.399 1.00 59.50 H new ATOM 0 HE22 GLN A 758 23.157 -16.296 16.585 1.00 59.50 H new ATOM 470 N SER A 759 27.982 -16.517 21.844 1.00 24.54 N ATOM 471 CA SER A 759 27.979 -16.817 23.284 1.00 25.04 C ATOM 472 C SER A 759 28.252 -15.532 24.090 1.00 27.32 C ATOM 473 O SER A 759 28.910 -14.594 23.609 1.00 27.52 O ATOM 474 CB SER A 759 29.000 -17.912 23.641 1.00 23.38 C ATOM 475 OG SER A 759 28.666 -19.121 22.984 1.00 22.96 O ATOM 0 H SER A 759 28.593 -16.911 21.385 1.00 24.54 H new ATOM 0 HA SER A 759 27.101 -17.157 23.517 1.00 25.04 H new ATOM 0 HB2 SER A 759 29.891 -17.630 23.382 1.00 23.38 H new ATOM 0 HB3 SER A 759 29.014 -18.050 24.601 1.00 23.38 H new ATOM 0 HG SER A 759 29.256 -19.698 23.141 1.00 22.96 H new ATOM 476 N GLY A 760 27.788 -15.518 25.325 1.00 24.77 N ATOM 477 CA GLY A 760 27.858 -14.304 26.141 1.00 26.06 C ATOM 478 C GLY A 760 29.262 -13.854 26.445 1.00 26.07 C ATOM 479 O GLY A 760 30.190 -14.710 26.633 1.00 24.61 O ATOM 0 H GLY A 760 27.428 -16.194 25.716 1.00 24.77 H new ATOM 0 HA2 GLY A 760 27.391 -13.589 25.682 1.00 26.06 H new ATOM 0 HA3 GLY A 760 27.389 -14.459 26.976 1.00 26.06 H new ATOM 480 N HIS A 761 29.443 -12.519 26.478 1.00 23.24 N ATOM 481 CA HIS A 761 30.692 -11.882 26.830 1.00 23.17 C ATOM 482 C HIS A 761 30.507 -10.909 27.981 1.00 24.09 C ATOM 483 O HIS A 761 29.417 -10.444 28.258 1.00 24.07 O ATOM 484 CB HIS A 761 31.289 -11.111 25.620 1.00 23.95 C ATOM 485 CG HIS A 761 31.569 -11.972 24.436 1.00 24.38 C ATOM 486 ND1 HIS A 761 30.582 -12.359 23.560 1.00 25.32 N ATOM 487 CD2 HIS A 761 32.724 -12.468 23.944 1.00 27.33 C ATOM 488 CE1 HIS A 761 31.112 -13.071 22.587 1.00 28.67 C ATOM 489 NE2 HIS A 761 32.409 -13.167 22.803 1.00 30.65 N ATOM 0 H HIS A 761 28.817 -11.960 26.289 1.00 23.24 H new ATOM 0 HA HIS A 761 31.302 -12.587 27.098 1.00 23.17 H new ATOM 0 HB2 HIS A 761 30.673 -10.408 25.360 1.00 23.95 H new ATOM 0 HB3 HIS A 761 32.112 -10.679 25.897 1.00 23.95 H new ATOM 0 HD1 HIS A 761 29.747 -12.166 23.636 1.00 25.32 H new ATOM 0 HD2 HIS A 761 33.573 -12.358 24.308 1.00 27.33 H new ATOM 0 HE1 HIS A 761 30.650 -13.442 21.870 1.00 28.67 H new ATOM 490 N GLN A 762 31.598 -10.639 28.690 1.00 24.74 N ATOM 491 CA GLN A 762 31.618 -9.594 29.717 1.00 26.24 C ATOM 492 C GLN A 762 31.924 -8.272 29.003 1.00 20.59 C ATOM 493 O GLN A 762 32.830 -8.220 28.166 1.00 19.58 O ATOM 494 CB GLN A 762 32.738 -9.822 30.747 1.00 27.44 C ATOM 495 CG GLN A 762 32.542 -11.065 31.606 1.00 33.11 C ATOM 496 CD GLN A 762 31.235 -11.041 32.348 1.00 38.78 C ATOM 497 OE1 GLN A 762 30.276 -11.743 31.989 1.00 40.86 O ATOM 498 NE2 GLN A 762 31.163 -10.213 33.371 1.00 42.78 N ATOM 0 H GLN A 762 32.346 -11.052 28.592 1.00 24.74 H new ATOM 0 HA GLN A 762 30.766 -9.595 30.180 1.00 26.24 H new ATOM 0 HB2 GLN A 762 33.585 -9.892 30.280 1.00 27.44 H new ATOM 0 HB3 GLN A 762 32.796 -9.046 31.326 1.00 27.44 H new ATOM 0 HG2 GLN A 762 32.578 -11.854 31.043 1.00 33.11 H new ATOM 0 HG3 GLN A 762 33.272 -11.136 32.241 1.00 33.11 H new ATOM 0 HE21 GLN A 762 31.848 -9.742 33.592 1.00 42.78 H new ATOM 0 HE22 GLN A 762 30.431 -10.144 33.818 1.00 42.78 H new ATOM 499 N GLU A 763 31.236 -7.218 29.405 1.00 21.38 N ATOM 500 CA GLU A 763 31.457 -5.914 28.783 1.00 21.75 C ATOM 501 C GLU A 763 32.914 -5.499 28.957 1.00 23.79 C ATOM 502 O GLU A 763 33.530 -4.949 28.042 1.00 21.11 O ATOM 503 CB GLU A 763 30.568 -4.848 29.423 1.00 24.19 C ATOM 504 CG GLU A 763 30.869 -3.446 28.862 1.00 23.61 C ATOM 505 CD GLU A 763 29.920 -2.368 29.337 1.00 26.61 C ATOM 506 OE1 GLU A 763 28.724 -2.563 29.333 1.00 27.25 O ATOM 507 OE2 GLU A 763 30.374 -1.315 29.731 1.00 26.18 O ATOM 0 H GLU A 763 30.643 -7.229 30.028 1.00 21.38 H new ATOM 0 HA GLU A 763 31.238 -5.990 27.841 1.00 21.75 H new ATOM 0 HB2 GLU A 763 29.636 -5.067 29.266 1.00 24.19 H new ATOM 0 HB3 GLU A 763 30.702 -4.848 30.384 1.00 24.19 H new ATOM 0 HG2 GLU A 763 31.774 -3.198 29.109 1.00 23.61 H new ATOM 0 HG3 GLU A 763 30.840 -3.484 27.893 1.00 23.61 H new ATOM 508 N SER A 764 33.496 -5.769 30.144 1.00 23.89 N ATOM 509 CA SER A 764 34.878 -5.335 30.407 1.00 24.80 C ATOM 510 C SER A 764 35.879 -5.932 29.401 1.00 24.60 C ATOM 511 O SER A 764 36.765 -5.220 28.909 1.00 24.85 O ATOM 512 CB SER A 764 35.263 -5.636 31.879 1.00 29.04 C ATOM 513 OG SER A 764 35.128 -7.031 32.135 1.00 31.22 O ATOM 0 H SER A 764 33.117 -6.190 30.791 1.00 23.89 H new ATOM 0 HA SER A 764 34.922 -4.375 30.279 1.00 24.80 H new ATOM 0 HB2 SER A 764 36.176 -5.354 32.048 1.00 29.04 H new ATOM 0 HB3 SER A 764 34.694 -5.131 32.481 1.00 29.04 H new ATOM 0 HG SER A 764 34.323 -7.210 32.295 1.00 31.22 H new ATOM 514 N GLU A 765 35.720 -7.209 29.056 1.00 22.31 N ATOM 515 CA GLU A 765 36.527 -7.820 28.037 1.00 24.00 C ATOM 516 C GLU A 765 36.277 -7.173 26.661 1.00 20.82 C ATOM 517 O GLU A 765 37.206 -6.958 25.912 1.00 21.71 O ATOM 518 CB GLU A 765 36.242 -9.348 27.949 1.00 25.86 C ATOM 519 CG GLU A 765 37.013 -10.048 26.810 1.00 29.27 C ATOM 520 CD GLU A 765 36.265 -10.207 25.458 1.00 32.06 C ATOM 521 OE1 GLU A 765 35.038 -10.446 25.450 1.00 31.63 O ATOM 522 OE2 GLU A 765 36.942 -10.159 24.401 1.00 29.96 O ATOM 0 H GLU A 765 35.140 -7.734 29.412 1.00 22.31 H new ATOM 0 HA GLU A 765 37.455 -7.681 28.283 1.00 24.00 H new ATOM 0 HB2 GLU A 765 36.477 -9.764 28.793 1.00 25.86 H new ATOM 0 HB3 GLU A 765 35.291 -9.486 27.820 1.00 25.86 H new ATOM 0 HG2 GLU A 765 37.830 -9.552 26.648 1.00 29.27 H new ATOM 0 HG3 GLU A 765 37.273 -10.930 27.118 1.00 29.27 H new ATOM 523 N VAL A 766 35.016 -6.901 26.326 1.00 19.45 N ATOM 524 CA VAL A 766 34.705 -6.317 24.993 1.00 19.79 C ATOM 525 C VAL A 766 35.396 -4.966 24.827 1.00 17.80 C ATOM 526 O VAL A 766 35.952 -4.687 23.779 1.00 18.65 O ATOM 527 CB VAL A 766 33.176 -6.208 24.785 1.00 20.86 C ATOM 528 CG1 VAL A 766 32.789 -5.369 23.566 1.00 19.82 C ATOM 529 CG2 VAL A 766 32.590 -7.619 24.689 1.00 23.39 C ATOM 0 H VAL A 766 34.334 -7.038 26.832 1.00 19.45 H new ATOM 0 HA VAL A 766 35.049 -6.910 24.306 1.00 19.79 H new ATOM 0 HB VAL A 766 32.804 -5.740 25.549 1.00 20.86 H new ATOM 0 HG11 VAL A 766 31.823 -5.337 23.488 1.00 19.82 H new ATOM 0 HG12 VAL A 766 33.134 -4.468 23.670 1.00 19.82 H new ATOM 0 HG13 VAL A 766 33.164 -5.768 22.766 1.00 19.82 H new ATOM 0 HG21 VAL A 766 31.630 -7.563 24.558 1.00 23.39 H new ATOM 0 HG22 VAL A 766 32.991 -8.086 23.939 1.00 23.39 H new ATOM 0 HG23 VAL A 766 32.776 -8.103 25.508 1.00 23.39 H new ATOM 530 N LEU A 767 35.313 -4.122 25.838 1.00 18.04 N ATOM 531 CA LEU A 767 35.867 -2.773 25.761 1.00 18.97 C ATOM 532 C LEU A 767 37.370 -2.778 25.518 1.00 21.10 C ATOM 533 O LEU A 767 37.894 -1.876 24.856 1.00 19.38 O ATOM 534 CB LEU A 767 35.504 -1.937 27.005 1.00 20.08 C ATOM 535 CG LEU A 767 33.990 -1.711 27.196 1.00 22.30 C ATOM 536 CD1 LEU A 767 33.737 -0.771 28.382 1.00 24.40 C ATOM 537 CD2 LEU A 767 33.304 -1.106 25.990 1.00 22.01 C ATOM 0 H LEU A 767 34.936 -4.308 26.588 1.00 18.04 H new ATOM 0 HA LEU A 767 35.457 -2.349 24.991 1.00 18.97 H new ATOM 0 HB2 LEU A 767 35.857 -2.379 27.793 1.00 20.08 H new ATOM 0 HB3 LEU A 767 35.944 -1.075 26.942 1.00 20.08 H new ATOM 0 HG LEU A 767 33.619 -2.595 27.347 1.00 22.30 H new ATOM 0 HD11 LEU A 767 32.783 -0.637 28.491 1.00 24.40 H new ATOM 0 HD12 LEU A 767 34.103 -1.164 29.190 1.00 24.40 H new ATOM 0 HD13 LEU A 767 34.166 0.083 28.215 1.00 24.40 H new ATOM 0 HD21 LEU A 767 32.359 -0.992 26.178 1.00 22.01 H new ATOM 0 HD22 LEU A 767 33.700 -0.243 25.791 1.00 22.01 H new ATOM 0 HD23 LEU A 767 33.412 -1.695 25.227 1.00 22.01 H new ATOM 538 N MET A 768 38.088 -3.772 26.093 1.00 23.13 N ATOM 539 CA MET A 768 39.575 -3.822 25.944 1.00 22.46 C ATOM 540 C MET A 768 40.016 -4.367 24.621 1.00 24.08 C ATOM 541 O MET A 768 41.225 -4.278 24.316 1.00 26.55 O ATOM 542 CB MET A 768 40.226 -4.685 27.041 1.00 27.67 C ATOM 543 CG MET A 768 40.166 -4.018 28.377 1.00 36.26 C ATOM 544 SD MET A 768 40.594 -2.258 28.410 1.00 55.37 S ATOM 545 CE MET A 768 42.214 -2.195 27.665 1.00 41.15 C ATOM 0 H MET A 768 37.749 -4.410 26.560 1.00 23.13 H new ATOM 0 HA MET A 768 39.862 -2.899 26.018 1.00 22.46 H new ATOM 0 HB2 MET A 768 39.777 -5.543 27.087 1.00 27.67 H new ATOM 0 HB3 MET A 768 41.151 -4.861 26.808 1.00 27.67 H new ATOM 0 HG2 MET A 768 39.268 -4.120 28.729 1.00 36.26 H new ATOM 0 HG3 MET A 768 40.763 -4.489 28.980 1.00 36.26 H new ATOM 0 HE1 MET A 768 42.438 -1.275 27.454 1.00 41.15 H new ATOM 0 HE2 MET A 768 42.869 -2.553 28.284 1.00 41.15 H new ATOM 0 HE3 MET A 768 42.217 -2.723 26.851 1.00 41.15 H new ATOM 546 N ARG A 769 39.095 -4.846 23.783 1.00 19.16 N ATOM 547 CA ARG A 769 39.504 -5.353 22.488 1.00 20.97 C ATOM 548 C ARG A 769 40.105 -4.279 21.623 1.00 23.12 C ATOM 549 O ARG A 769 39.576 -3.171 21.524 1.00 20.83 O ATOM 550 CB ARG A 769 38.335 -5.981 21.759 1.00 21.65 C ATOM 551 CG ARG A 769 37.780 -7.204 22.444 1.00 23.85 C ATOM 552 CD ARG A 769 36.691 -7.725 21.597 1.00 26.46 C ATOM 553 NE ARG A 769 35.945 -8.730 22.281 1.00 28.99 N ATOM 554 CZ ARG A 769 34.780 -9.182 21.863 1.00 28.08 C ATOM 555 NH1 ARG A 769 34.190 -8.663 20.773 1.00 28.41 N ATOM 556 NH2 ARG A 769 34.197 -10.125 22.545 1.00 29.03 N ATOM 0 H ARG A 769 38.251 -4.883 23.945 1.00 19.16 H new ATOM 0 HA ARG A 769 40.182 -6.025 22.657 1.00 20.97 H new ATOM 0 HB2 ARG A 769 37.629 -5.322 21.669 1.00 21.65 H new ATOM 0 HB3 ARG A 769 38.615 -6.222 20.862 1.00 21.65 H new ATOM 0 HG2 ARG A 769 38.472 -7.874 22.562 1.00 23.85 H new ATOM 0 HG3 ARG A 769 37.449 -6.980 23.328 1.00 23.85 H new ATOM 0 HD2 ARG A 769 36.101 -6.999 21.340 1.00 26.46 H new ATOM 0 HD3 ARG A 769 37.061 -8.093 20.779 1.00 26.46 H new ATOM 0 HE ARG A 769 36.273 -9.059 23.005 1.00 28.99 H new ATOM 0 HH11 ARG A 769 34.573 -8.027 20.338 1.00 28.41 H new ATOM 0 HH12 ARG A 769 33.430 -8.967 20.510 1.00 28.41 H new ATOM 0 HH21 ARG A 769 34.573 -10.439 23.252 1.00 29.03 H new ATOM 0 HH22 ARG A 769 33.436 -10.434 22.289 1.00 29.03 H new ATOM 557 N GLN A 770 41.187 -4.639 20.947 1.00 21.19 N ATOM 558 CA GLN A 770 41.724 -3.814 19.922 1.00 22.45 C ATOM 559 C GLN A 770 40.822 -3.679 18.705 1.00 20.60 C ATOM 560 O GLN A 770 40.139 -4.644 18.268 1.00 20.54 O ATOM 561 CB GLN A 770 43.103 -4.372 19.501 1.00 22.29 C ATOM 562 CG GLN A 770 44.086 -4.191 20.667 1.00 25.91 C ATOM 563 CD GLN A 770 45.439 -4.781 20.337 1.00 33.27 C ATOM 564 OE1 GLN A 770 45.786 -4.930 19.168 1.00 40.37 O ATOM 565 NE2 GLN A 770 46.186 -5.149 21.350 1.00 39.45 N ATOM 0 H GLN A 770 41.619 -5.371 21.081 1.00 21.19 H new ATOM 0 HA GLN A 770 41.807 -2.920 20.290 1.00 22.45 H new ATOM 0 HB2 GLN A 770 43.029 -5.310 19.267 1.00 22.29 H new ATOM 0 HB3 GLN A 770 43.427 -3.908 18.713 1.00 22.29 H new ATOM 0 HG2 GLN A 770 44.182 -3.247 20.869 1.00 25.91 H new ATOM 0 HG3 GLN A 770 43.730 -4.616 21.463 1.00 25.91 H new ATOM 0 HE21 GLN A 770 45.909 -5.028 22.155 1.00 39.45 H new ATOM 0 HE22 GLN A 770 46.953 -5.511 21.209 1.00 39.45 H new ATOM 566 N MET A 771 40.878 -2.501 18.110 1.00 20.87 N ATOM 567 CA MET A 771 40.036 -2.231 16.970 1.00 23.62 C ATOM 568 C MET A 771 40.579 -2.902 15.688 1.00 21.85 C ATOM 569 O MET A 771 40.866 -2.229 14.693 1.00 21.22 O ATOM 570 CB MET A 771 39.809 -0.756 16.768 1.00 21.43 C ATOM 571 CG MET A 771 38.922 -0.146 17.784 1.00 25.67 C ATOM 572 SD MET A 771 37.165 -0.563 17.425 1.00 24.58 S ATOM 573 CE MET A 771 36.654 1.070 16.911 1.00 26.04 C ATOM 0 H MET A 771 41.391 -1.853 18.349 1.00 20.87 H new ATOM 0 HA MET A 771 39.171 -2.626 17.161 1.00 23.62 H new ATOM 0 HB2 MET A 771 40.665 -0.300 16.782 1.00 21.43 H new ATOM 0 HB3 MET A 771 39.426 -0.613 15.888 1.00 21.43 H new ATOM 0 HG2 MET A 771 39.163 -0.465 18.668 1.00 25.67 H new ATOM 0 HG3 MET A 771 39.039 0.817 17.789 1.00 25.67 H new ATOM 0 HE1 MET A 771 35.714 1.055 16.671 1.00 26.04 H new ATOM 0 HE2 MET A 771 36.791 1.696 17.639 1.00 26.04 H new ATOM 0 HE3 MET A 771 37.179 1.347 16.144 1.00 26.04 H new ATOM 574 N LEU A 772 40.618 -4.246 15.675 1.00 22.45 N ATOM 575 CA LEU A 772 40.923 -4.966 14.441 1.00 23.53 C ATOM 576 C LEU A 772 39.684 -4.885 13.524 1.00 23.89 C ATOM 577 O LEU A 772 38.609 -4.461 14.016 1.00 23.89 O ATOM 578 CB LEU A 772 41.211 -6.419 14.764 1.00 26.01 C ATOM 579 CG LEU A 772 42.456 -6.754 15.594 1.00 31.57 C ATOM 580 CD1 LEU A 772 42.540 -8.272 15.854 1.00 31.52 C ATOM 581 CD2 LEU A 772 43.674 -6.276 14.852 1.00 32.10 C ATOM 0 H LEU A 772 40.473 -4.745 16.360 1.00 22.45 H new ATOM 0 HA LEU A 772 41.697 -4.577 14.004 1.00 23.53 H new ATOM 0 HB2 LEU A 772 40.440 -6.775 15.233 1.00 26.01 H new ATOM 0 HB3 LEU A 772 41.279 -6.900 13.924 1.00 26.01 H new ATOM 0 HG LEU A 772 42.404 -6.309 16.454 1.00 31.57 H new ATOM 0 HD11 LEU A 772 43.332 -8.467 16.379 1.00 31.52 H new ATOM 0 HD12 LEU A 772 41.751 -8.562 16.339 1.00 31.52 H new ATOM 0 HD13 LEU A 772 42.590 -8.743 15.008 1.00 31.52 H new ATOM 0 HD21 LEU A 772 44.469 -6.483 15.368 1.00 32.10 H new ATOM 0 HD22 LEU A 772 43.723 -6.720 13.991 1.00 32.10 H new ATOM 0 HD23 LEU A 772 43.616 -5.317 14.718 1.00 32.10 H new ATOM 582 N PRO A 773 39.796 -5.287 12.245 1.00 24.46 N ATOM 583 CA PRO A 773 38.730 -5.184 11.226 1.00 24.08 C ATOM 584 C PRO A 773 37.343 -5.604 11.654 1.00 25.11 C ATOM 585 O PRO A 773 36.373 -4.888 11.384 1.00 23.38 O ATOM 586 CB PRO A 773 39.262 -6.084 10.095 1.00 23.46 C ATOM 587 CG PRO A 773 40.684 -5.773 10.109 1.00 24.20 C ATOM 588 CD PRO A 773 41.045 -5.741 11.574 1.00 25.91 C ATOM 0 HA PRO A 773 38.582 -4.255 10.989 1.00 24.08 H new ATOM 0 HB2 PRO A 773 39.094 -7.023 10.268 1.00 23.46 H new ATOM 0 HB3 PRO A 773 38.852 -5.875 9.241 1.00 23.46 H new ATOM 0 HG2 PRO A 773 41.198 -6.444 9.633 1.00 24.20 H new ATOM 0 HG3 PRO A 773 40.864 -4.921 9.681 1.00 24.20 H new ATOM 0 HD2 PRO A 773 41.320 -6.615 11.891 1.00 25.91 H new ATOM 0 HD3 PRO A 773 41.781 -5.133 11.745 1.00 25.91 H new ATOM 589 N GLU A 774 37.232 -6.722 12.359 1.00 23.65 N ATOM 590 CA AGLU A 774 35.933 -7.211 12.842 0.49 25.37 C ATOM 591 CA BGLU A 774 35.902 -7.146 12.767 0.51 25.68 C ATOM 592 C GLU A 774 35.295 -6.268 13.885 1.00 22.71 C ATOM 593 O GLU A 774 34.091 -5.996 13.828 1.00 19.84 O ATOM 594 CB AGLU A 774 36.060 -8.632 13.436 0.49 26.12 C ATOM 595 CB BGLU A 774 35.882 -8.644 13.071 0.51 26.82 C ATOM 596 CG AGLU A 774 34.751 -9.206 13.924 0.49 27.40 C ATOM 597 CG BGLU A 774 36.186 -9.434 11.804 0.51 28.65 C ATOM 598 CD AGLU A 774 34.849 -10.663 14.290 0.49 30.94 C ATOM 599 CD BGLU A 774 35.844 -10.900 11.944 0.51 30.81 C ATOM 600 OE1AGLU A 774 35.499 -11.421 13.552 0.49 30.45 O ATOM 601 OE1BGLU A 774 35.824 -11.392 13.088 0.51 31.57 O ATOM 602 OE2AGLU A 774 34.259 -11.021 15.329 0.49 32.37 O ATOM 603 OE2BGLU A 774 35.557 -11.521 10.898 0.51 33.75 O ATOM 0 H AGLU A 774 37.899 -7.221 12.573 0.49 23.65 H new ATOM 0 H BGLU A 774 37.882 -7.229 12.603 0.51 23.65 H new ATOM 0 HA AGLU A 774 35.348 -7.236 12.069 0.49 25.68 H new ATOM 0 HA BGLU A 774 35.306 -7.005 12.015 0.51 25.68 H new ATOM 0 HB2AGLU A 774 36.432 -9.223 12.763 0.49 26.82 H new ATOM 0 HB2BGLU A 774 36.536 -8.852 13.756 0.51 26.82 H new ATOM 0 HB3AGLU A 774 36.689 -8.610 14.174 0.49 26.82 H new ATOM 0 HB3BGLU A 774 35.014 -8.900 13.421 0.51 26.82 H new ATOM 0 HG2AGLU A 774 34.451 -8.703 14.697 0.49 28.65 H new ATOM 0 HG2BGLU A 774 35.686 -9.057 11.063 0.51 28.65 H new ATOM 0 HG3AGLU A 774 34.078 -9.095 13.235 0.49 28.65 H new ATOM 0 HG3BGLU A 774 37.127 -9.343 11.587 0.51 28.65 H new ATOM 604 N GLU A 775 36.105 -5.791 14.836 1.00 20.62 N ATOM 605 CA AGLU A 775 35.601 -4.887 15.859 0.55 22.11 C ATOM 606 CA BGLU A 775 35.624 -4.878 15.883 0.45 20.48 C ATOM 607 C GLU A 775 35.315 -3.495 15.285 1.00 20.38 C ATOM 608 O GLU A 775 34.367 -2.822 15.717 1.00 19.06 O ATOM 609 CB AGLU A 775 36.604 -4.755 16.993 0.55 24.40 C ATOM 610 CB BGLU A 775 36.650 -4.690 17.015 0.45 20.42 C ATOM 611 CG AGLU A 775 37.000 -6.091 17.630 0.55 27.18 C ATOM 612 CG BGLU A 775 36.641 -5.773 18.111 0.45 20.40 C ATOM 613 CD AGLU A 775 35.805 -6.941 18.033 0.55 29.09 C ATOM 614 CD BGLU A 775 37.145 -7.131 17.596 0.45 21.23 C ATOM 615 OE1AGLU A 775 35.084 -6.497 18.912 0.55 32.04 O ATOM 616 OE1BGLU A 775 37.970 -7.158 16.651 0.45 22.55 O ATOM 617 OE2AGLU A 775 35.579 -8.028 17.481 0.55 30.81 O ATOM 618 OE2BGLU A 775 36.723 -8.165 18.161 0.45 18.09 O ATOM 0 H AGLU A 775 36.941 -5.980 14.901 0.55 20.62 H new ATOM 0 H BGLU A 775 36.941 -5.985 14.893 0.45 20.62 H new ATOM 0 HA AGLU A 775 34.773 -5.265 16.194 0.55 20.48 H new ATOM 0 HA BGLU A 775 34.823 -5.282 16.252 0.45 20.48 H new ATOM 0 HB2AGLU A 775 37.402 -4.317 16.658 0.55 20.42 H new ATOM 0 HB2BGLU A 775 37.537 -4.657 16.623 0.45 20.42 H new ATOM 0 HB3AGLU A 775 36.231 -4.178 17.678 0.55 20.42 H new ATOM 0 HB3BGLU A 775 36.492 -3.829 17.433 0.45 20.42 H new ATOM 0 HG2AGLU A 775 37.549 -6.590 17.005 0.55 20.40 H new ATOM 0 HG2BGLU A 775 37.196 -5.484 18.852 0.45 20.40 H new ATOM 0 HG3AGLU A 775 37.546 -5.920 18.413 0.55 20.40 H new ATOM 0 HG3BGLU A 775 35.740 -5.874 18.455 0.45 20.40 H new ATOM 619 N GLN A 776 36.127 -3.062 14.361 1.00 18.77 N ATOM 620 CA GLN A 776 35.852 -1.796 13.619 1.00 19.65 C ATOM 621 C GLN A 776 34.460 -1.848 12.975 1.00 18.82 C ATOM 622 O GLN A 776 33.667 -0.865 13.068 1.00 18.86 O ATOM 623 CB GLN A 776 36.966 -1.552 12.567 1.00 19.99 C ATOM 624 CG GLN A 776 36.820 -0.340 11.637 1.00 22.02 C ATOM 625 CD GLN A 776 37.190 1.019 12.223 1.00 20.88 C ATOM 626 OE1 GLN A 776 38.034 1.161 13.142 1.00 20.92 O ATOM 627 NE2 GLN A 776 36.575 2.047 11.685 1.00 23.18 N ATOM 0 H GLN A 776 36.850 -3.464 14.127 1.00 18.77 H new ATOM 0 HA GLN A 776 35.857 -1.049 14.238 1.00 19.65 H new ATOM 0 HB2 GLN A 776 37.808 -1.465 13.040 1.00 19.99 H new ATOM 0 HB3 GLN A 776 37.032 -2.346 12.014 1.00 19.99 H new ATOM 0 HG2 GLN A 776 37.370 -0.492 10.853 1.00 22.02 H new ATOM 0 HG3 GLN A 776 35.899 -0.299 11.334 1.00 22.02 H new ATOM 0 HE21 GLN A 776 36.001 1.924 11.057 1.00 23.18 H new ATOM 0 HE22 GLN A 776 36.746 2.843 11.961 1.00 23.18 H new ATOM 628 N LEU A 777 34.196 -2.934 12.240 1.00 18.69 N ATOM 629 CA LEU A 777 32.907 -3.141 11.597 1.00 21.20 C ATOM 630 C LEU A 777 31.744 -3.139 12.570 1.00 21.12 C ATOM 631 O LEU A 777 30.693 -2.527 12.275 1.00 18.34 O ATOM 632 CB LEU A 777 32.887 -4.444 10.843 1.00 25.77 C ATOM 633 CG LEU A 777 31.678 -4.598 9.925 1.00 27.57 C ATOM 634 CD1 LEU A 777 31.876 -3.763 8.669 1.00 30.80 C ATOM 635 CD2 LEU A 777 31.520 -6.076 9.647 1.00 30.07 C ATOM 0 H LEU A 777 34.762 -3.567 12.104 1.00 18.69 H new ATOM 0 HA LEU A 777 32.797 -2.391 10.992 1.00 21.20 H new ATOM 0 HB2 LEU A 777 33.697 -4.516 10.314 1.00 25.77 H new ATOM 0 HB3 LEU A 777 32.897 -5.177 11.478 1.00 25.77 H new ATOM 0 HG LEU A 777 30.861 -4.271 10.332 1.00 27.57 H new ATOM 0 HD11 LEU A 777 31.105 -3.864 8.088 1.00 30.80 H new ATOM 0 HD12 LEU A 777 31.976 -2.830 8.913 1.00 30.80 H new ATOM 0 HD13 LEU A 777 32.672 -4.062 8.203 1.00 30.80 H new ATOM 0 HD21 LEU A 777 30.758 -6.216 9.064 1.00 30.07 H new ATOM 0 HD22 LEU A 777 32.322 -6.412 9.217 1.00 30.07 H new ATOM 0 HD23 LEU A 777 31.379 -6.549 10.482 1.00 30.07 H new ATOM 636 N LYS A 778 31.897 -3.841 13.703 1.00 20.11 N ATOM 637 CA ALYS A 778 30.834 -3.886 14.719 0.17 18.99 C ATOM 638 CA BLYS A 778 30.825 -3.907 14.709 0.83 20.39 C ATOM 639 C LYS A 778 30.545 -2.487 15.290 1.00 17.73 C ATOM 640 O LYS A 778 29.369 -2.130 15.554 1.00 18.20 O ATOM 641 CB ALYS A 778 31.192 -4.863 15.844 0.17 18.77 C ATOM 642 CB BLYS A 778 31.197 -4.895 15.811 0.83 20.89 C ATOM 643 CG ALYS A 778 31.040 -6.330 15.440 0.17 19.19 C ATOM 644 CG BLYS A 778 31.013 -6.385 15.374 0.83 25.01 C ATOM 645 CD ALYS A 778 31.352 -7.280 16.586 0.17 19.27 C ATOM 646 CD BLYS A 778 31.412 -7.371 16.478 0.83 28.88 C ATOM 647 CE ALYS A 778 31.008 -8.708 16.194 0.17 19.76 C ATOM 648 CE BLYS A 778 31.173 -8.813 16.021 0.83 35.85 C ATOM 649 NZ ALYS A 778 31.994 -9.285 15.237 0.17 19.61 N ATOM 650 NZ BLYS A 778 30.927 -9.735 17.179 0.83 40.60 N ATOM 0 H ALYS A 778 32.601 -4.293 13.900 0.17 20.11 H new ATOM 0 H BLYS A 778 32.607 -4.282 13.906 0.83 20.11 H new ATOM 0 HA ALYS A 778 30.027 -4.203 14.284 0.17 20.39 H new ATOM 0 HA BLYS A 778 30.011 -4.223 14.287 0.83 20.39 H new ATOM 0 HB2ALYS A 778 32.107 -4.704 16.123 0.17 20.89 H new ATOM 0 HB2BLYS A 778 32.120 -4.750 16.072 0.83 20.89 H new ATOM 0 HB3ALYS A 778 30.626 -4.685 16.611 0.17 20.89 H new ATOM 0 HB3BLYS A 778 30.651 -4.722 16.593 0.83 20.89 H new ATOM 0 HG2ALYS A 778 30.134 -6.486 15.131 0.17 25.01 H new ATOM 0 HG2BLYS A 778 30.087 -6.535 15.129 0.83 25.01 H new ATOM 0 HG3ALYS A 778 31.631 -6.521 14.695 0.17 25.01 H new ATOM 0 HG3BLYS A 778 31.547 -6.556 14.583 0.83 25.01 H new ATOM 0 HD2ALYS A 778 32.292 -7.219 16.819 0.17 28.88 H new ATOM 0 HD2BLYS A 778 32.347 -7.249 16.706 0.83 28.88 H new ATOM 0 HD3ALYS A 778 30.848 -7.024 17.374 0.17 28.88 H new ATOM 0 HD3BLYS A 778 30.898 -7.191 17.281 0.83 28.88 H new ATOM 0 HE2ALYS A 778 30.972 -9.260 16.991 0.17 35.85 H new ATOM 0 HE2BLYS A 778 30.412 -8.839 15.420 0.83 35.85 H new ATOM 0 HE3ALYS A 778 30.124 -8.728 15.795 0.17 35.85 H new ATOM 0 HE3BLYS A 778 31.942 -9.124 15.518 0.83 35.85 H new ATOM 0 HZ1ALYS A 778 31.614 -9.949 14.783 0.17 40.60 H new ATOM 0 HZ1BLYS A 778 30.610 -10.511 16.879 0.83 40.60 H new ATOM 0 HZ2ALYS A 778 32.262 -8.654 14.670 0.17 40.60 H new ATOM 0 HZ2BLYS A 778 31.691 -9.876 17.614 0.83 40.60 H new ATOM 0 HZ3ALYS A 778 32.696 -9.597 15.686 0.17 40.60 H new ATOM 0 HZ3BLYS A 778 30.335 -9.366 17.732 0.83 40.60 H new ATOM 651 N CYS A 779 31.594 -1.705 15.512 1.00 16.29 N ATOM 652 CA CYS A 779 31.396 -0.325 16.020 1.00 17.31 C ATOM 653 C CYS A 779 30.693 0.511 14.924 1.00 17.52 C ATOM 654 O CYS A 779 29.823 1.300 15.235 1.00 15.35 O ATOM 655 CB CYS A 779 32.674 0.353 16.455 1.00 17.37 C ATOM 656 SG CYS A 779 33.398 -0.372 17.974 1.00 19.77 S ATOM 0 H CYS A 779 32.413 -1.934 15.383 1.00 16.29 H new ATOM 0 HA CYS A 779 30.847 -0.387 16.817 1.00 17.31 H new ATOM 0 HB2 CYS A 779 33.323 0.297 15.736 1.00 17.37 H new ATOM 0 HB3 CYS A 779 32.498 1.295 16.606 1.00 17.37 H new ATOM 0 HG CYS A 779 33.095 0.299 18.922 1.00 19.77 H new ATOM 657 N GLU A 780 31.120 0.386 13.680 1.00 18.19 N ATOM 658 CA GLU A 780 30.419 1.076 12.553 1.00 19.32 C ATOM 659 C GLU A 780 28.940 0.707 12.505 1.00 17.52 C ATOM 660 O GLU A 780 28.080 1.564 12.339 1.00 18.24 O ATOM 661 CB GLU A 780 31.132 0.800 11.211 1.00 18.04 C ATOM 662 CG GLU A 780 32.519 1.391 11.104 1.00 19.70 C ATOM 663 CD GLU A 780 33.407 0.798 9.982 1.00 21.00 C ATOM 664 OE1 GLU A 780 33.082 -0.277 9.420 1.00 21.50 O ATOM 665 OE2 GLU A 780 34.445 1.443 9.656 1.00 22.08 O ATOM 0 H GLU A 780 31.803 -0.082 13.447 1.00 18.19 H new ATOM 0 HA GLU A 780 30.462 2.032 12.712 1.00 19.32 H new ATOM 0 HB2 GLU A 780 31.191 -0.159 11.081 1.00 18.04 H new ATOM 0 HB3 GLU A 780 30.587 1.151 10.490 1.00 18.04 H new ATOM 0 HG2 GLU A 780 32.437 2.347 10.960 1.00 19.70 H new ATOM 0 HG3 GLU A 780 32.972 1.270 11.953 1.00 19.70 H new ATOM 666 N PHE A 781 28.616 -0.561 12.711 1.00 18.05 N ATOM 667 CA PHE A 781 27.231 -1.000 12.701 1.00 17.27 C ATOM 668 C PHE A 781 26.419 -0.448 13.868 1.00 17.92 C ATOM 669 O PHE A 781 25.293 0.004 13.651 1.00 16.98 O ATOM 670 CB PHE A 781 27.203 -2.552 12.675 1.00 16.49 C ATOM 671 CG PHE A 781 25.851 -3.174 12.521 1.00 18.60 C ATOM 672 CD1 PHE A 781 25.015 -2.786 11.479 1.00 20.00 C ATOM 673 CD2 PHE A 781 25.429 -4.150 13.349 1.00 18.72 C ATOM 674 CE1 PHE A 781 23.801 -3.401 11.310 1.00 21.22 C ATOM 675 CE2 PHE A 781 24.214 -4.753 13.210 1.00 19.46 C ATOM 676 CZ PHE A 781 23.393 -4.385 12.178 1.00 20.99 C ATOM 0 H PHE A 781 29.188 -1.186 12.859 1.00 18.05 H new ATOM 0 HA PHE A 781 26.806 -0.646 11.904 1.00 17.27 H new ATOM 0 HB2 PHE A 781 27.766 -2.857 11.946 1.00 16.49 H new ATOM 0 HB3 PHE A 781 27.600 -2.880 13.497 1.00 16.49 H new ATOM 0 HD1 PHE A 781 25.279 -2.110 10.897 1.00 20.00 H new ATOM 0 HD2 PHE A 781 25.987 -4.422 14.041 1.00 18.72 H new ATOM 0 HE1 PHE A 781 23.250 -3.151 10.604 1.00 21.22 H new ATOM 0 HE2 PHE A 781 23.945 -5.409 13.812 1.00 19.46 H new ATOM 0 HZ PHE A 781 22.567 -4.797 12.066 1.00 20.99 H new ATOM 677 N LEU A 782 27.011 -0.457 15.087 1.00 16.36 N ATOM 678 CA LEU A 782 26.381 0.064 16.285 1.00 15.07 C ATOM 679 C LEU A 782 26.102 1.556 16.089 1.00 15.09 C ATOM 680 O LEU A 782 24.989 2.041 16.421 1.00 15.06 O ATOM 681 CB LEU A 782 27.318 -0.159 17.494 1.00 16.37 C ATOM 682 CG LEU A 782 26.930 0.416 18.851 1.00 16.33 C ATOM 683 CD1 LEU A 782 25.511 0.097 19.151 1.00 17.89 C ATOM 684 CD2 LEU A 782 27.752 -0.223 19.982 1.00 16.04 C ATOM 0 H LEU A 782 27.799 -0.774 15.223 1.00 16.36 H new ATOM 0 HA LEU A 782 25.544 -0.396 16.453 1.00 15.07 H new ATOM 0 HB2 LEU A 782 27.430 -1.116 17.604 1.00 16.37 H new ATOM 0 HB3 LEU A 782 28.187 0.204 17.261 1.00 16.37 H new ATOM 0 HG LEU A 782 27.088 1.372 18.806 1.00 16.33 H new ATOM 0 HD11 LEU A 782 25.272 0.466 20.016 1.00 17.89 H new ATOM 0 HD12 LEU A 782 24.941 0.482 18.467 1.00 17.89 H new ATOM 0 HD13 LEU A 782 25.392 -0.866 19.167 1.00 17.89 H new ATOM 0 HD21 LEU A 782 27.485 0.160 20.832 1.00 16.04 H new ATOM 0 HD22 LEU A 782 27.595 -1.180 19.996 1.00 16.04 H new ATOM 0 HD23 LEU A 782 28.695 -0.053 19.833 1.00 16.04 H new ATOM 685 N LEU A 783 27.057 2.255 15.490 1.00 14.94 N ATOM 686 CA LEU A 783 26.862 3.694 15.165 1.00 15.67 C ATOM 687 C LEU A 783 25.672 3.844 14.207 1.00 16.40 C ATOM 688 O LEU A 783 24.778 4.704 14.396 1.00 15.56 O ATOM 689 CB LEU A 783 28.108 4.322 14.647 1.00 16.82 C ATOM 690 CG LEU A 783 28.062 5.804 14.305 1.00 15.92 C ATOM 691 CD1 LEU A 783 27.521 6.614 15.510 1.00 16.54 C ATOM 692 CD2 LEU A 783 29.393 6.397 13.804 1.00 16.86 C ATOM 0 H LEU A 783 27.821 1.934 15.260 1.00 14.94 H new ATOM 0 HA LEU A 783 26.653 4.178 15.980 1.00 15.67 H new ATOM 0 HB2 LEU A 783 28.806 4.189 15.307 1.00 16.82 H new ATOM 0 HB3 LEU A 783 28.376 3.840 13.849 1.00 16.82 H new ATOM 0 HG LEU A 783 27.456 5.878 13.551 1.00 15.92 H new ATOM 0 HD11 LEU A 783 27.496 7.556 15.282 1.00 16.54 H new ATOM 0 HD12 LEU A 783 26.626 6.311 15.728 1.00 16.54 H new ATOM 0 HD13 LEU A 783 28.102 6.483 16.275 1.00 16.54 H new ATOM 0 HD21 LEU A 783 29.275 7.340 13.610 1.00 16.86 H new ATOM 0 HD22 LEU A 783 30.073 6.290 14.488 1.00 16.86 H new ATOM 0 HD23 LEU A 783 29.671 5.934 12.998 1.00 16.86 H new ATOM 693 N LEU A 784 25.633 2.977 13.182 1.00 16.07 N ATOM 694 CA LEU A 784 24.610 3.074 12.198 1.00 17.44 C ATOM 695 C LEU A 784 23.233 2.818 12.832 1.00 18.11 C ATOM 696 O LEU A 784 22.250 3.539 12.518 1.00 20.82 O ATOM 697 CB LEU A 784 24.845 2.113 11.037 1.00 17.29 C ATOM 698 CG LEU A 784 23.709 2.030 10.003 1.00 17.82 C ATOM 699 CD1 LEU A 784 24.282 2.025 8.607 1.00 20.11 C ATOM 700 CD2 LEU A 784 22.783 0.853 10.150 1.00 19.47 C ATOM 0 H LEU A 784 26.196 2.339 13.060 1.00 16.07 H new ATOM 0 HA LEU A 784 24.634 3.975 11.841 1.00 17.44 H new ATOM 0 HB2 LEU A 784 25.659 2.377 10.579 1.00 17.29 H new ATOM 0 HB3 LEU A 784 24.997 1.226 11.398 1.00 17.29 H new ATOM 0 HG LEU A 784 23.168 2.817 10.170 1.00 17.82 H new ATOM 0 HD11 LEU A 784 23.560 1.973 7.961 1.00 20.11 H new ATOM 0 HD12 LEU A 784 24.787 2.840 8.461 1.00 20.11 H new ATOM 0 HD13 LEU A 784 24.867 1.259 8.500 1.00 20.11 H new ATOM 0 HD21 LEU A 784 22.104 0.887 9.458 1.00 19.47 H new ATOM 0 HD22 LEU A 784 23.290 0.030 10.066 1.00 19.47 H new ATOM 0 HD23 LEU A 784 22.358 0.883 11.021 1.00 19.47 H new ATOM 701 N LYS A 785 23.167 1.865 13.744 1.00 17.22 N ATOM 702 CA LYS A 785 21.925 1.550 14.484 1.00 17.82 C ATOM 703 C LYS A 785 21.378 2.750 15.280 1.00 18.13 C ATOM 704 O LYS A 785 20.146 2.962 15.300 1.00 18.92 O ATOM 705 CB LYS A 785 22.078 0.322 15.404 1.00 19.04 C ATOM 706 CG LYS A 785 22.097 -1.022 14.659 1.00 21.38 C ATOM 707 CD LYS A 785 20.699 -1.321 14.069 1.00 26.97 C ATOM 708 CE LYS A 785 20.689 -2.672 13.431 1.00 35.60 C ATOM 709 NZ LYS A 785 19.425 -3.393 13.716 1.00 39.71 N ATOM 0 H LYS A 785 23.837 1.372 13.963 1.00 17.22 H new ATOM 0 HA LYS A 785 21.274 1.332 13.799 1.00 17.82 H new ATOM 0 HB2 LYS A 785 22.900 0.411 15.912 1.00 19.04 H new ATOM 0 HB3 LYS A 785 21.349 0.316 16.043 1.00 19.04 H new ATOM 0 HG2 LYS A 785 22.757 -0.997 13.949 1.00 21.38 H new ATOM 0 HG3 LYS A 785 22.359 -1.732 15.265 1.00 21.38 H new ATOM 0 HD2 LYS A 785 20.029 -1.281 14.770 1.00 26.97 H new ATOM 0 HD3 LYS A 785 20.465 -0.645 13.414 1.00 26.97 H new ATOM 0 HE2 LYS A 785 20.802 -2.580 12.472 1.00 35.60 H new ATOM 0 HE3 LYS A 785 21.441 -3.191 13.757 1.00 35.60 H new ATOM 0 HZ1 LYS A 785 19.445 -4.193 13.326 1.00 39.71 H new ATOM 0 HZ2 LYS A 785 19.333 -3.495 14.595 1.00 39.71 H new ATOM 0 HZ3 LYS A 785 18.738 -2.925 13.398 1.00 39.71 H new ATOM 710 N VAL A 786 22.264 3.601 15.783 1.00 17.10 N ATOM 711 CA VAL A 786 21.804 4.813 16.447 1.00 16.90 C ATOM 712 C VAL A 786 21.239 5.822 15.417 1.00 16.46 C ATOM 713 O VAL A 786 20.172 6.417 15.648 1.00 15.90 O ATOM 714 CB VAL A 786 22.904 5.420 17.349 1.00 17.92 C ATOM 715 CG1 VAL A 786 22.585 6.799 17.887 1.00 15.43 C ATOM 716 CG2 VAL A 786 23.275 4.439 18.470 1.00 16.33 C ATOM 0 H VAL A 786 23.117 3.499 15.752 1.00 17.10 H new ATOM 0 HA VAL A 786 21.073 4.579 17.040 1.00 16.90 H new ATOM 0 HB VAL A 786 23.676 5.557 16.779 1.00 17.92 H new ATOM 0 HG11 VAL A 786 23.319 7.109 18.440 1.00 15.43 H new ATOM 0 HG12 VAL A 786 22.456 7.413 17.147 1.00 15.43 H new ATOM 0 HG13 VAL A 786 21.775 6.760 18.419 1.00 15.43 H new ATOM 0 HG21 VAL A 786 23.965 4.831 19.028 1.00 16.33 H new ATOM 0 HG22 VAL A 786 22.491 4.252 19.009 1.00 16.33 H new ATOM 0 HG23 VAL A 786 23.604 3.613 18.082 1.00 16.33 H new ATOM 717 N TYR A 787 21.948 6.053 14.334 1.00 17.42 N ATOM 718 CA TYR A 787 21.456 6.926 13.234 1.00 17.56 C ATOM 719 C TYR A 787 20.110 6.418 12.694 1.00 18.67 C ATOM 720 O TYR A 787 19.315 7.247 12.208 1.00 19.40 O ATOM 721 CB TYR A 787 22.469 7.067 12.059 1.00 17.78 C ATOM 722 CG TYR A 787 23.589 8.010 12.229 1.00 16.72 C ATOM 723 CD1 TYR A 787 23.413 9.406 11.974 1.00 18.87 C ATOM 724 CD2 TYR A 787 24.852 7.581 12.647 1.00 15.63 C ATOM 725 CE1 TYR A 787 24.471 10.269 12.058 1.00 16.84 C ATOM 726 CE2 TYR A 787 25.881 8.463 12.762 1.00 15.69 C ATOM 727 CZ TYR A 787 25.704 9.801 12.512 1.00 16.90 C ATOM 728 OH TYR A 787 26.787 10.686 12.625 1.00 16.60 O ATOM 0 H TYR A 787 22.728 5.719 14.195 1.00 17.42 H new ATOM 0 HA TYR A 787 21.344 7.807 13.624 1.00 17.56 H new ATOM 0 HB2 TYR A 787 22.842 6.190 11.880 1.00 17.78 H new ATOM 0 HB3 TYR A 787 21.974 7.331 11.268 1.00 17.78 H new ATOM 0 HD1 TYR A 787 22.571 9.730 11.749 1.00 18.87 H new ATOM 0 HD2 TYR A 787 24.990 6.684 12.848 1.00 15.63 H new ATOM 0 HE1 TYR A 787 24.369 11.161 11.814 1.00 16.84 H new ATOM 0 HE2 TYR A 787 26.721 8.154 13.015 1.00 15.69 H new ATOM 0 HH TYR A 787 26.525 11.470 12.479 1.00 16.60 H new ATOM 729 N CYS A 788 19.817 5.131 12.800 1.00 17.20 N ATOM 730 CA CYS A 788 18.534 4.576 12.318 1.00 20.87 C ATOM 731 C CYS A 788 17.342 5.122 13.122 1.00 22.89 C ATOM 732 O CYS A 788 16.235 5.149 12.635 1.00 23.48 O ATOM 733 CB CYS A 788 18.466 3.047 12.324 1.00 20.89 C ATOM 734 SG CYS A 788 19.481 2.218 11.050 1.00 22.21 S ATOM 0 H CYS A 788 20.344 4.548 13.149 1.00 17.20 H new ATOM 0 HA CYS A 788 18.482 4.867 11.394 1.00 20.87 H new ATOM 0 HB2 CYS A 788 18.745 2.729 13.197 1.00 20.89 H new ATOM 0 HB3 CYS A 788 17.542 2.778 12.206 1.00 20.89 H new ATOM 0 HG CYS A 788 20.639 2.481 11.227 1.00 22.21 H new ATOM 735 N ASP A 789 17.583 5.608 14.319 1.00 21.96 N ATOM 736 CA ASP A 789 16.441 6.192 15.105 1.00 20.94 C ATOM 737 C ASP A 789 16.321 7.646 14.731 1.00 19.13 C ATOM 738 O ASP A 789 17.310 8.362 14.758 1.00 17.62 O ATOM 739 CB ASP A 789 16.708 6.098 16.595 1.00 23.86 C ATOM 740 CG ASP A 789 15.473 6.346 17.430 1.00 26.51 C ATOM 741 OD1 ASP A 789 15.017 7.520 17.589 1.00 23.85 O ATOM 742 OD2 ASP A 789 14.929 5.303 17.874 1.00 26.54 O ATOM 0 H ASP A 789 18.351 5.624 14.706 1.00 21.96 H new ATOM 0 HA ASP A 789 15.628 5.702 14.904 1.00 20.94 H new ATOM 0 HB2 ASP A 789 17.061 5.218 16.801 1.00 23.86 H new ATOM 0 HB3 ASP A 789 17.392 6.742 16.838 1.00 23.86 H new ATOM 743 N SER A 790 15.089 8.113 14.408 1.00 19.23 N ATOM 744 CA SER A 790 14.958 9.527 14.033 1.00 20.28 C ATOM 745 C SER A 790 15.403 10.498 15.125 1.00 17.48 C ATOM 746 O SER A 790 15.863 11.625 14.802 1.00 18.63 O ATOM 747 CB SER A 790 13.492 9.856 13.577 1.00 21.21 C ATOM 748 OG SER A 790 12.636 9.535 14.682 1.00 28.19 O ATOM 0 H SER A 790 14.363 7.652 14.402 1.00 19.23 H new ATOM 0 HA SER A 790 15.565 9.656 13.287 1.00 20.28 H new ATOM 0 HB2 SER A 790 13.408 10.792 13.336 1.00 21.21 H new ATOM 0 HB3 SER A 790 13.251 9.339 12.793 1.00 21.21 H new ATOM 0 HG SER A 790 12.577 8.701 14.758 1.00 28.19 H new ATOM 749 N LYS A 791 15.400 10.100 16.396 1.00 16.61 N ATOM 750 CA LYS A 791 15.800 10.980 17.460 1.00 16.95 C ATOM 751 C LYS A 791 17.312 11.222 17.473 1.00 20.77 C ATOM 752 O LYS A 791 17.802 12.105 18.167 1.00 17.67 O ATOM 753 CB LYS A 791 15.312 10.487 18.833 1.00 18.51 C ATOM 754 CG LYS A 791 13.806 10.464 19.003 1.00 21.72 C ATOM 755 CD LYS A 791 13.401 9.438 20.098 1.00 24.09 C ATOM 756 CE LYS A 791 11.908 9.469 20.414 1.00 24.32 C ATOM 757 NZ LYS A 791 11.528 10.664 21.224 1.00 26.14 N ATOM 0 H LYS A 791 15.165 9.314 16.653 1.00 16.61 H new ATOM 0 HA LYS A 791 15.369 11.831 17.283 1.00 16.95 H new ATOM 0 HB2 LYS A 791 15.655 9.592 18.982 1.00 18.51 H new ATOM 0 HB3 LYS A 791 15.694 11.055 19.521 1.00 18.51 H new ATOM 0 HG2 LYS A 791 13.488 11.348 19.246 1.00 21.72 H new ATOM 0 HG3 LYS A 791 13.383 10.232 18.162 1.00 21.72 H new ATOM 0 HD2 LYS A 791 13.647 8.546 19.807 1.00 24.09 H new ATOM 0 HD3 LYS A 791 13.903 9.621 20.908 1.00 24.09 H new ATOM 0 HE2 LYS A 791 11.404 9.468 19.585 1.00 24.32 H new ATOM 0 HE3 LYS A 791 11.664 8.663 20.895 1.00 24.32 H new ATOM 0 HZ1 LYS A 791 10.672 10.602 21.461 1.00 26.14 H new ATOM 0 HZ2 LYS A 791 12.036 10.702 21.954 1.00 26.14 H new ATOM 0 HZ3 LYS A 791 11.649 11.401 20.741 1.00 26.14 H new ATOM 758 N SER A 792 18.065 10.464 16.649 1.00 18.45 N ATOM 759 CA SER A 792 19.480 10.719 16.508 1.00 19.29 C ATOM 760 C SER A 792 19.760 12.121 15.901 1.00 18.94 C ATOM 761 O SER A 792 20.799 12.696 16.156 1.00 17.89 O ATOM 762 CB SER A 792 20.126 9.619 15.645 1.00 18.57 C ATOM 763 OG SER A 792 19.710 9.778 14.254 1.00 19.13 O ATOM 0 H SER A 792 17.765 9.811 16.177 1.00 18.45 H new ATOM 0 HA SER A 792 19.874 10.707 17.394 1.00 19.29 H new ATOM 0 HB2 SER A 792 21.092 9.670 15.711 1.00 18.57 H new ATOM 0 HB3 SER A 792 19.865 8.744 15.972 1.00 18.57 H new ATOM 0 HG SER A 792 18.970 9.398 14.138 1.00 19.13 H new ATOM 764 N CYS A 793 18.761 12.749 15.238 1.00 19.06 N ATOM 765 CA CYS A 793 18.978 14.100 14.706 1.00 19.91 C ATOM 766 C CYS A 793 19.468 15.120 15.742 1.00 18.45 C ATOM 767 O CYS A 793 20.332 16.006 15.466 1.00 21.10 O ATOM 768 CB CYS A 793 17.674 14.621 14.028 1.00 23.58 C ATOM 769 SG CYS A 793 16.329 14.925 15.212 1.00 25.09 S ATOM 0 H CYS A 793 17.981 12.417 15.094 1.00 19.06 H new ATOM 0 HA CYS A 793 19.694 14.015 14.057 1.00 19.91 H new ATOM 0 HB2 CYS A 793 17.870 15.443 13.551 1.00 23.58 H new ATOM 0 HB3 CYS A 793 17.378 13.974 13.369 1.00 23.58 H new ATOM 0 HG CYS A 793 15.741 13.900 15.422 1.00 25.09 H new ATOM 770 N PHE A 794 19.005 14.973 16.970 1.00 17.49 N ATOM 771 CA PHE A 794 19.411 15.866 18.065 1.00 18.51 C ATOM 772 C PHE A 794 20.858 15.779 18.466 1.00 21.00 C ATOM 773 O PHE A 794 21.398 16.714 19.033 1.00 19.07 O ATOM 774 CB PHE A 794 18.569 15.671 19.350 1.00 20.45 C ATOM 775 CG PHE A 794 17.113 15.975 19.165 1.00 19.92 C ATOM 776 CD1 PHE A 794 16.694 17.312 18.985 1.00 22.73 C ATOM 777 CD2 PHE A 794 16.158 14.974 19.217 1.00 21.56 C ATOM 778 CE1 PHE A 794 15.334 17.611 18.828 1.00 23.78 C ATOM 779 CE2 PHE A 794 14.784 15.256 19.033 1.00 24.80 C ATOM 780 CZ PHE A 794 14.376 16.603 18.830 1.00 23.59 C ATOM 0 H PHE A 794 18.449 14.359 17.202 1.00 17.49 H new ATOM 0 HA PHE A 794 19.254 16.741 17.676 1.00 18.51 H new ATOM 0 HB2 PHE A 794 18.664 14.755 19.654 1.00 20.45 H new ATOM 0 HB3 PHE A 794 18.924 16.241 20.050 1.00 20.45 H new ATOM 0 HD1 PHE A 794 17.323 17.997 18.971 1.00 22.73 H new ATOM 0 HD2 PHE A 794 16.425 14.098 19.376 1.00 21.56 H new ATOM 0 HE1 PHE A 794 15.068 18.496 18.721 1.00 23.78 H new ATOM 0 HE2 PHE A 794 14.156 14.570 19.045 1.00 24.80 H new ATOM 0 HZ PHE A 794 13.478 16.808 18.700 1.00 23.59 H new ATOM 781 N PHE A 795 21.466 14.643 18.170 1.00 20.36 N ATOM 782 CA PHE A 795 22.853 14.351 18.563 1.00 18.79 C ATOM 783 C PHE A 795 23.838 14.269 17.379 1.00 18.89 C ATOM 784 O PHE A 795 25.018 14.014 17.603 1.00 19.30 O ATOM 785 CB PHE A 795 22.801 12.992 19.305 1.00 18.84 C ATOM 786 CG PHE A 795 21.944 13.065 20.536 1.00 18.39 C ATOM 787 CD1 PHE A 795 22.305 13.851 21.579 1.00 18.45 C ATOM 788 CD2 PHE A 795 20.706 12.427 20.575 1.00 18.08 C ATOM 789 CE1 PHE A 795 21.481 13.957 22.719 1.00 18.83 C ATOM 790 CE2 PHE A 795 19.882 12.521 21.673 1.00 19.31 C ATOM 791 CZ PHE A 795 20.245 13.313 22.754 1.00 17.29 C ATOM 0 H PHE A 795 21.089 14.007 17.731 1.00 20.36 H new ATOM 0 HA PHE A 795 23.188 15.076 19.114 1.00 18.79 H new ATOM 0 HB2 PHE A 795 22.454 12.310 18.709 1.00 18.84 H new ATOM 0 HB3 PHE A 795 23.700 12.723 19.551 1.00 18.84 H new ATOM 0 HD1 PHE A 795 23.104 14.325 21.543 1.00 18.45 H new ATOM 0 HD2 PHE A 795 20.430 11.926 19.842 1.00 18.08 H new ATOM 0 HE1 PHE A 795 21.763 14.458 23.450 1.00 18.83 H new ATOM 0 HE2 PHE A 795 19.079 12.052 21.691 1.00 19.31 H new ATOM 0 HZ PHE A 795 19.677 13.412 23.484 1.00 17.29 H new ATOM 792 N ALA A 796 23.395 14.487 16.153 1.00 17.39 N ATOM 793 CA ALA A 796 24.220 14.280 14.986 1.00 19.43 C ATOM 794 C ALA A 796 25.310 15.330 14.805 1.00 18.92 C ATOM 795 O ALA A 796 26.459 15.006 14.544 1.00 18.91 O ATOM 796 CB ALA A 796 23.388 14.214 13.721 1.00 21.87 C ATOM 0 H ALA A 796 22.599 14.762 15.976 1.00 17.39 H new ATOM 0 HA ALA A 796 24.657 13.429 15.143 1.00 19.43 H new ATOM 0 HB1 ALA A 796 23.970 14.075 12.958 1.00 21.87 H new ATOM 0 HB2 ALA A 796 22.758 13.479 13.786 1.00 21.87 H new ATOM 0 HB3 ALA A 796 22.902 15.046 13.609 1.00 21.87 H new ATOM 797 N SER A 797 24.955 16.602 14.937 1.00 21.75 N ATOM 798 CA SER A 797 25.862 17.655 14.549 1.00 22.35 C ATOM 799 C SER A 797 26.319 18.393 15.793 1.00 21.55 C ATOM 800 O SER A 797 25.827 18.130 16.896 1.00 21.51 O ATOM 801 CB SER A 797 25.175 18.555 13.501 1.00 25.82 C ATOM 802 OG SER A 797 24.298 19.393 14.202 1.00 30.62 O ATOM 0 H SER A 797 24.199 16.869 15.247 1.00 21.75 H new ATOM 0 HA SER A 797 26.661 17.303 14.125 1.00 22.35 H new ATOM 0 HB2 SER A 797 25.831 19.075 13.011 1.00 25.82 H new ATOM 0 HB3 SER A 797 24.694 18.020 12.850 1.00 25.82 H new ATOM 0 HG SER A 797 23.769 18.927 14.659 1.00 30.62 H new ATOM 803 N GLU A 798 27.291 19.275 15.622 1.00 19.65 N ATOM 804 CA GLU A 798 27.993 19.946 16.720 1.00 22.03 C ATOM 805 C GLU A 798 27.064 20.822 17.498 1.00 22.77 C ATOM 806 O GLU A 798 26.462 21.739 16.916 1.00 23.38 O ATOM 807 CB GLU A 798 29.192 20.780 16.241 1.00 22.42 C ATOM 808 CG GLU A 798 30.072 21.289 17.360 1.00 26.69 C ATOM 809 CD GLU A 798 31.345 22.016 16.884 1.00 28.60 C ATOM 810 OE1 GLU A 798 31.623 22.153 15.645 1.00 30.70 O ATOM 811 OE2 GLU A 798 32.110 22.400 17.783 1.00 31.69 O ATOM 0 H GLU A 798 27.573 19.511 14.844 1.00 19.65 H new ATOM 0 HA GLU A 798 28.331 19.238 17.290 1.00 22.03 H new ATOM 0 HB2 GLU A 798 29.729 20.242 15.639 1.00 22.42 H new ATOM 0 HB3 GLU A 798 28.865 21.536 15.730 1.00 22.42 H new ATOM 0 HG2 GLU A 798 29.555 21.894 17.915 1.00 26.69 H new ATOM 0 HG3 GLU A 798 30.330 20.541 17.921 1.00 26.69 H new ATOM 812 N PRO A 799 26.955 20.567 18.791 1.00 22.51 N ATOM 813 CA PRO A 799 26.032 21.304 19.624 1.00 24.22 C ATOM 814 C PRO A 799 26.620 22.632 20.073 1.00 26.15 C ATOM 815 O PRO A 799 27.853 22.865 19.958 1.00 23.20 O ATOM 816 CB PRO A 799 25.879 20.375 20.849 1.00 25.80 C ATOM 817 CG PRO A 799 27.223 19.789 20.983 1.00 26.42 C ATOM 818 CD PRO A 799 27.672 19.528 19.581 1.00 24.81 C ATOM 0 HA PRO A 799 25.204 21.516 19.166 1.00 24.22 H new ATOM 0 HB2 PRO A 799 25.620 20.867 21.644 1.00 25.80 H new ATOM 0 HB3 PRO A 799 25.203 19.695 20.703 1.00 25.80 H new ATOM 0 HG2 PRO A 799 27.827 20.396 21.438 1.00 26.42 H new ATOM 0 HG3 PRO A 799 27.199 18.970 21.502 1.00 26.42 H new ATOM 0 HD2 PRO A 799 28.634 19.612 19.492 1.00 24.81 H new ATOM 0 HD3 PRO A 799 27.437 18.633 19.291 1.00 24.81 H new ATOM 819 N TYR A 800 25.741 23.483 20.606 1.00 24.40 N ATOM 820 CA TYR A 800 26.145 24.645 21.344 1.00 27.38 C ATOM 821 C TYR A 800 25.271 24.877 22.572 1.00 25.07 C ATOM 822 O TYR A 800 24.132 24.417 22.668 1.00 23.73 O ATOM 823 CB TYR A 800 26.205 25.862 20.427 1.00 31.69 C ATOM 824 CG TYR A 800 24.852 26.314 19.922 1.00 37.21 C ATOM 825 CD1 TYR A 800 24.384 25.908 18.685 1.00 44.14 C ATOM 826 CD2 TYR A 800 24.069 27.219 20.680 1.00 47.36 C ATOM 827 CE1 TYR A 800 23.153 26.364 18.193 1.00 51.34 C ATOM 828 CE2 TYR A 800 22.837 27.680 20.215 1.00 54.63 C ATOM 829 CZ TYR A 800 22.389 27.261 18.966 1.00 56.60 C ATOM 830 OH TYR A 800 21.187 27.727 18.512 1.00 65.86 O ATOM 0 H TYR A 800 24.889 23.388 20.541 1.00 24.40 H new ATOM 0 HA TYR A 800 27.040 24.491 21.685 1.00 27.38 H new ATOM 0 HB2 TYR A 800 26.624 26.595 20.904 1.00 31.69 H new ATOM 0 HB3 TYR A 800 26.772 25.656 19.667 1.00 31.69 H new ATOM 0 HD1 TYR A 800 24.894 25.324 18.172 1.00 44.14 H new ATOM 0 HD2 TYR A 800 24.383 27.512 21.505 1.00 47.36 H new ATOM 0 HE1 TYR A 800 22.843 26.077 17.364 1.00 51.34 H new ATOM 0 HE2 TYR A 800 22.323 28.258 20.732 1.00 54.63 H new ATOM 0 HH TYR A 800 20.855 28.248 19.081 1.00 65.86 H new ATOM 831 N TYR A 801 25.856 25.568 23.532 1.00 24.55 N ATOM 832 CA TYR A 801 25.377 25.619 24.875 1.00 22.49 C ATOM 833 C TYR A 801 25.244 27.083 25.421 1.00 24.22 C ATOM 834 O TYR A 801 26.218 27.716 25.905 1.00 23.06 O ATOM 835 CB TYR A 801 26.363 24.831 25.751 1.00 23.44 C ATOM 836 CG TYR A 801 26.431 23.378 25.310 1.00 22.07 C ATOM 837 CD1 TYR A 801 25.456 22.459 25.739 1.00 21.55 C ATOM 838 CD2 TYR A 801 27.451 22.927 24.433 1.00 23.51 C ATOM 839 CE1 TYR A 801 25.541 21.115 25.345 1.00 23.02 C ATOM 840 CE2 TYR A 801 27.548 21.586 24.040 1.00 23.87 C ATOM 841 CZ TYR A 801 26.581 20.666 24.504 1.00 22.79 C ATOM 842 OH TYR A 801 26.584 19.313 24.147 1.00 21.03 O ATOM 0 H TYR A 801 26.568 26.034 23.405 1.00 24.55 H new ATOM 0 HA TYR A 801 24.487 25.235 24.898 1.00 22.49 H new ATOM 0 HB2 TYR A 801 27.244 25.232 25.695 1.00 23.44 H new ATOM 0 HB3 TYR A 801 26.088 24.879 26.680 1.00 23.44 H new ATOM 0 HD1 TYR A 801 24.756 22.742 26.283 1.00 21.55 H new ATOM 0 HD2 TYR A 801 28.073 23.539 24.110 1.00 23.51 H new ATOM 0 HE1 TYR A 801 24.901 20.510 25.643 1.00 23.02 H new ATOM 0 HE2 TYR A 801 28.238 21.306 23.483 1.00 23.87 H new ATOM 0 HH TYR A 801 26.018 18.900 24.610 1.00 21.03 H new ATOM 843 N ASN A 802 24.005 27.545 25.471 1.00 24.81 N ATOM 844 CA ASN A 802 23.723 28.858 26.064 1.00 24.34 C ATOM 845 C ASN A 802 22.298 28.845 26.620 1.00 23.42 C ATOM 846 O ASN A 802 21.365 29.192 25.919 1.00 25.81 O ATOM 847 CB ASN A 802 23.915 30.006 25.056 1.00 24.02 C ATOM 848 CG ASN A 802 23.930 31.373 25.748 1.00 28.30 C ATOM 849 OD1 ASN A 802 23.823 31.445 26.996 1.00 25.78 O ATOM 850 ND2 ASN A 802 24.148 32.455 24.960 1.00 26.06 N ATOM 0 H ASN A 802 23.316 27.126 25.173 1.00 24.81 H new ATOM 0 HA ASN A 802 24.357 29.020 26.780 1.00 24.34 H new ATOM 0 HB2 ASN A 802 24.747 29.878 24.574 1.00 24.02 H new ATOM 0 HB3 ASN A 802 23.201 29.983 24.400 1.00 24.02 H new ATOM 0 HD21 ASN A 802 24.219 33.236 25.312 1.00 26.06 H new ATOM 0 HD22 ASN A 802 24.215 32.360 24.108 1.00 26.06 H new ATOM 851 N ARG A 803 22.215 28.344 27.835 1.00 25.83 N ATOM 852 CA AARG A 803 20.976 28.172 28.585 0.43 29.75 C ATOM 853 CA BARG A 803 20.985 28.134 28.587 0.57 30.20 C ATOM 854 C ARG A 803 21.163 28.762 29.960 1.00 29.75 C ATOM 855 O ARG A 803 22.182 28.547 30.619 1.00 29.62 O ATOM 856 CB AARG A 803 20.570 26.692 28.690 0.43 31.58 C ATOM 857 CB BARG A 803 20.683 26.622 28.713 0.57 32.66 C ATOM 858 CG AARG A 803 19.747 26.297 29.921 0.43 32.38 C ATOM 859 CG BARG A 803 19.426 26.234 29.501 0.57 33.51 C ATOM 860 CD AARG A 803 19.319 24.842 29.839 0.43 34.06 C ATOM 861 CD BARG A 803 19.322 24.748 29.852 0.57 36.91 C ATOM 862 NE AARG A 803 18.063 24.726 29.136 0.43 36.50 N ATOM 863 NE BARG A 803 17.943 24.487 30.230 0.57 39.99 N ATOM 864 CZ AARG A 803 16.902 24.568 29.752 0.43 34.18 C ATOM 865 CZ BARG A 803 17.469 24.110 31.412 0.57 45.81 C ATOM 866 NH1AARG A 803 16.854 24.503 31.070 0.43 36.41 N ATOM 867 NH1BARG A 803 18.249 23.814 32.446 0.57 47.12 N ATOM 868 NH2AARG A 803 15.809 24.478 29.050 0.43 29.29 N ATOM 869 NH2BARG A 803 16.146 23.985 31.535 0.57 54.50 N ATOM 0 H AARG A 803 22.908 28.081 28.271 0.43 25.83 H new ATOM 0 H BARG A 803 22.914 28.101 28.274 0.57 25.83 H new ATOM 0 HA AARG A 803 20.261 28.629 28.115 0.43 30.20 H new ATOM 0 HA BARG A 803 20.235 28.545 28.129 0.57 30.20 H new ATOM 0 HB2AARG A 803 20.062 26.459 27.897 0.43 32.66 H new ATOM 0 HB2BARG A 803 20.606 26.253 27.819 0.57 32.66 H new ATOM 0 HB3AARG A 803 21.377 26.154 28.678 0.43 32.66 H new ATOM 0 HB3BARG A 803 21.447 26.195 29.131 0.57 32.66 H new ATOM 0 HG2AARG A 803 20.271 26.440 30.725 0.43 33.51 H new ATOM 0 HG2BARG A 803 19.402 26.750 30.322 0.57 33.51 H new ATOM 0 HG3AARG A 803 18.964 26.866 29.988 0.43 33.51 H new ATOM 0 HG3BARG A 803 18.645 26.487 28.985 0.57 33.51 H new ATOM 0 HD2AARG A 803 20.001 24.323 29.383 0.43 36.91 H new ATOM 0 HD2BARG A 803 19.578 24.199 29.094 0.57 36.91 H new ATOM 0 HD3AARG A 803 19.232 24.474 30.732 0.43 36.91 H new ATOM 0 HD3BARG A 803 19.924 24.526 30.580 0.57 36.91 H new ATOM 0 HE AARG A 803 18.070 24.761 28.277 0.43 39.99 H new ATOM 0 HE BARG A 803 17.358 24.590 29.608 0.57 39.99 H new ATOM 0 HH11AARG A 803 17.578 24.563 31.530 0.43 47.12 H new ATOM 0 HH11BARG A 803 19.104 23.862 32.367 0.57 47.12 H new ATOM 0 HH12AARG A 803 16.099 24.400 31.468 0.43 47.12 H new ATOM 0 HH12BARG A 803 17.899 23.574 33.194 0.57 47.12 H new ATOM 0 HH21AARG A 803 15.844 24.521 28.192 0.43 54.50 H new ATOM 0 HH21BARG A 803 15.634 24.147 30.863 0.57 54.50 H new ATOM 0 HH22AARG A 803 15.052 24.375 29.445 0.43 54.50 H new ATOM 0 HH22BARG A 803 15.805 23.743 32.286 0.57 54.50 H new ATOM 870 N GLU A 804 20.179 29.542 30.387 1.00 32.21 N ATOM 871 CA GLU A 804 20.246 30.170 31.707 1.00 37.87 C ATOM 872 C GLU A 804 20.336 29.070 32.764 1.00 33.81 C ATOM 873 O GLU A 804 19.596 28.109 32.719 1.00 32.51 O ATOM 874 CB GLU A 804 18.988 31.019 31.905 1.00 46.33 C ATOM 875 CG GLU A 804 18.940 31.834 33.184 1.00 63.52 C ATOM 876 CD GLU A 804 17.620 32.610 33.315 1.00 74.88 C ATOM 877 OE1 GLU A 804 17.076 33.117 32.285 1.00 65.88 O ATOM 878 OE2 GLU A 804 17.121 32.692 34.464 1.00 85.17 O ATOM 0 H GLU A 804 19.469 29.721 29.936 1.00 32.21 H new ATOM 0 HA GLU A 804 21.025 30.742 31.785 1.00 37.87 H new ATOM 0 HB2 GLU A 804 18.904 31.624 31.152 1.00 46.33 H new ATOM 0 HB3 GLU A 804 18.215 30.433 31.885 1.00 46.33 H new ATOM 0 HG2 GLU A 804 19.046 31.245 33.947 1.00 63.52 H new ATOM 0 HG3 GLU A 804 19.684 32.456 33.200 1.00 63.52 H new ATOM 879 N GLY A 805 21.272 29.196 33.682 1.00 34.07 N ATOM 880 CA GLY A 805 21.430 28.244 34.768 1.00 35.65 C ATOM 881 C GLY A 805 22.209 26.965 34.454 1.00 38.25 C ATOM 882 O GLY A 805 22.311 26.111 35.322 1.00 38.46 O ATOM 0 H GLY A 805 21.841 29.841 33.696 1.00 34.07 H new ATOM 0 HA2 GLY A 805 21.873 28.695 35.504 1.00 35.65 H new ATOM 0 HA3 GLY A 805 20.547 27.992 35.080 1.00 35.65 H new ATOM 883 N SER A 806 22.772 26.836 33.242 1.00 33.12 N ATOM 884 CA SER A 806 23.623 25.687 32.895 1.00 34.81 C ATOM 885 C SER A 806 24.922 26.159 32.273 1.00 34.71 C ATOM 886 O SER A 806 24.980 27.211 31.641 1.00 29.68 O ATOM 887 CB SER A 806 22.921 24.725 31.901 1.00 36.35 C ATOM 888 OG SER A 806 21.814 24.115 32.492 1.00 39.68 O ATOM 0 H SER A 806 22.672 27.406 32.606 1.00 33.12 H new ATOM 0 HA SER A 806 23.799 25.209 33.720 1.00 34.81 H new ATOM 0 HB2 SER A 806 22.641 25.217 31.113 1.00 36.35 H new ATOM 0 HB3 SER A 806 23.548 24.047 31.604 1.00 36.35 H new ATOM 0 HG SER A 806 21.664 23.380 32.114 1.00 39.68 H new ATOM 889 N GLN A 807 25.940 25.336 32.445 1.00 33.57 N ATOM 890 CA GLN A 807 27.194 25.495 31.761 1.00 39.69 C ATOM 891 C GLN A 807 27.370 24.332 30.765 1.00 31.65 C ATOM 892 O GLN A 807 27.048 23.167 31.068 1.00 28.40 O ATOM 893 CB GLN A 807 28.347 25.503 32.778 1.00 47.03 C ATOM 894 CG GLN A 807 28.632 26.854 33.421 1.00 62.84 C ATOM 895 CD GLN A 807 29.096 27.895 32.409 1.00 75.80 C ATOM 896 OE1 GLN A 807 29.733 27.556 31.400 1.00 70.34 O ATOM 897 NE2 GLN A 807 28.745 29.172 32.653 1.00 88.48 N ATOM 0 H GLN A 807 25.916 24.658 32.974 1.00 33.57 H new ATOM 0 HA GLN A 807 27.202 26.337 31.280 1.00 39.69 H new ATOM 0 HB2 GLN A 807 28.146 24.863 33.479 1.00 47.03 H new ATOM 0 HB3 GLN A 807 29.153 25.195 32.335 1.00 47.03 H new ATOM 0 HG2 GLN A 807 27.831 27.173 33.865 1.00 62.84 H new ATOM 0 HG3 GLN A 807 29.311 26.747 34.105 1.00 62.84 H new ATOM 0 HE21 GLN A 807 28.303 29.368 33.364 1.00 88.48 H new ATOM 0 HE22 GLN A 807 28.963 29.791 32.098 1.00 88.48 H new ATOM 898 N GLY A 808 27.973 24.636 29.631 1.00 27.61 N ATOM 899 CA GLY A 808 28.251 23.569 28.635 1.00 29.02 C ATOM 900 C GLY A 808 29.280 22.533 29.136 1.00 28.52 C ATOM 901 O GLY A 808 30.018 22.793 30.079 1.00 27.97 O ATOM 0 H GLY A 808 28.230 25.425 29.406 1.00 27.61 H new ATOM 0 HA2 GLY A 808 27.423 23.115 28.415 1.00 29.02 H new ATOM 0 HA3 GLY A 808 28.579 23.974 27.817 1.00 29.02 H new ATOM 902 N PRO A 809 29.329 21.348 28.488 1.00 24.52 N ATOM 903 CA PRO A 809 30.237 20.283 28.904 1.00 23.88 C ATOM 904 C PRO A 809 31.663 20.635 28.563 1.00 25.21 C ATOM 905 O PRO A 809 31.936 21.321 27.545 1.00 25.06 O ATOM 906 CB PRO A 809 29.753 19.060 28.094 1.00 24.41 C ATOM 907 CG PRO A 809 29.056 19.631 26.900 1.00 24.58 C ATOM 908 CD PRO A 809 28.386 20.910 27.441 1.00 22.47 C ATOM 0 HA PRO A 809 30.227 20.125 29.861 1.00 23.88 H new ATOM 0 HB2 PRO A 809 30.498 18.498 27.829 1.00 24.41 H new ATOM 0 HB3 PRO A 809 29.153 18.507 28.619 1.00 24.41 H new ATOM 0 HG2 PRO A 809 29.681 19.831 26.185 1.00 24.58 H new ATOM 0 HG3 PRO A 809 28.402 19.012 26.540 1.00 24.58 H new ATOM 0 HD2 PRO A 809 28.278 21.581 26.749 1.00 22.47 H new ATOM 0 HD3 PRO A 809 27.504 20.730 27.802 1.00 22.47 H new ATOM 909 N GLN A 810 32.572 20.124 29.380 1.00 27.86 N ATOM 910 CA GLN A 810 33.990 20.280 29.162 1.00 31.45 C ATOM 911 C GLN A 810 34.440 19.639 27.872 1.00 31.42 C ATOM 912 O GLN A 810 35.376 20.152 27.247 1.00 29.81 O ATOM 913 CB GLN A 810 34.776 19.630 30.290 1.00 38.11 C ATOM 914 CG GLN A 810 34.430 20.155 31.673 1.00 47.50 C ATOM 915 CD GLN A 810 34.896 21.565 31.866 1.00 55.05 C ATOM 916 OE1 GLN A 810 36.058 21.881 31.652 1.00 66.79 O ATOM 917 NE2 GLN A 810 33.986 22.427 32.262 1.00 65.21 N ATOM 0 H GLN A 810 32.375 19.672 30.084 1.00 27.86 H new ATOM 0 HA GLN A 810 34.157 21.235 29.124 1.00 31.45 H new ATOM 0 HB2 GLN A 810 34.620 18.673 30.270 1.00 38.11 H new ATOM 0 HB3 GLN A 810 35.723 19.766 30.131 1.00 38.11 H new ATOM 0 HG2 GLN A 810 33.470 20.111 31.805 1.00 47.50 H new ATOM 0 HG3 GLN A 810 34.835 19.586 32.346 1.00 47.50 H new ATOM 0 HE21 GLN A 810 33.179 22.166 32.402 1.00 65.21 H new ATOM 0 HE22 GLN A 810 34.198 23.252 32.381 1.00 65.21 H new ATOM 918 N LYS A 811 33.780 18.534 27.460 1.00 25.21 N ATOM 919 CA LYS A 811 34.160 17.822 26.257 1.00 22.06 C ATOM 920 C LYS A 811 32.972 17.475 25.402 1.00 21.31 C ATOM 921 O LYS A 811 32.378 16.389 25.538 1.00 21.01 O ATOM 922 CB LYS A 811 34.957 16.564 26.603 1.00 26.75 C ATOM 923 CG LYS A 811 35.443 15.845 25.328 1.00 30.34 C ATOM 924 CD LYS A 811 36.367 14.671 25.664 1.00 33.00 C ATOM 925 CE LYS A 811 36.581 13.748 24.480 1.00 36.59 C ATOM 926 NZ LYS A 811 37.251 12.529 24.998 1.00 40.96 N ATOM 0 H LYS A 811 33.109 18.193 27.877 1.00 25.21 H new ATOM 0 HA LYS A 811 34.723 18.418 25.739 1.00 22.06 H new ATOM 0 HB2 LYS A 811 35.719 16.802 27.154 1.00 26.75 H new ATOM 0 HB3 LYS A 811 34.405 15.962 27.127 1.00 26.75 H new ATOM 0 HG2 LYS A 811 34.678 15.523 24.825 1.00 30.34 H new ATOM 0 HG3 LYS A 811 35.912 16.475 24.759 1.00 30.34 H new ATOM 0 HD2 LYS A 811 37.224 15.012 25.964 1.00 33.00 H new ATOM 0 HD3 LYS A 811 35.989 14.166 26.401 1.00 33.00 H new ATOM 0 HE2 LYS A 811 35.735 13.524 24.062 1.00 36.59 H new ATOM 0 HE3 LYS A 811 37.126 14.178 23.803 1.00 36.59 H new ATOM 0 HZ1 LYS A 811 37.587 12.063 24.318 1.00 40.96 H new ATOM 0 HZ2 LYS A 811 37.908 12.763 25.550 1.00 40.96 H new ATOM 0 HZ3 LYS A 811 36.660 12.029 25.436 1.00 40.96 H new ATOM 927 N PRO A 812 32.592 18.393 24.529 1.00 21.85 N ATOM 928 CA PRO A 812 31.428 18.151 23.687 1.00 23.57 C ATOM 929 C PRO A 812 31.658 16.941 22.786 1.00 23.27 C ATOM 930 O PRO A 812 32.798 16.689 22.381 1.00 24.61 O ATOM 931 CB PRO A 812 31.378 19.437 22.819 1.00 23.33 C ATOM 932 CG PRO A 812 32.053 20.496 23.682 1.00 23.74 C ATOM 933 CD PRO A 812 33.140 19.766 24.376 1.00 21.82 C ATOM 0 HA PRO A 812 30.619 17.973 24.191 1.00 23.57 H new ATOM 0 HB2 PRO A 812 31.845 19.315 21.977 1.00 23.33 H new ATOM 0 HB3 PRO A 812 30.465 19.684 22.604 1.00 23.33 H new ATOM 0 HG2 PRO A 812 32.403 21.222 23.142 1.00 23.74 H new ATOM 0 HG3 PRO A 812 31.430 20.887 24.314 1.00 23.74 H new ATOM 0 HD2 PRO A 812 33.960 19.768 23.857 1.00 21.82 H new ATOM 0 HD3 PRO A 812 33.347 20.166 25.235 1.00 21.82 H new ATOM 934 N MET A 813 30.599 16.284 22.369 1.00 20.06 N ATOM 935 CA MET A 813 30.682 15.131 21.515 1.00 17.87 C ATOM 936 C MET A 813 29.389 15.036 20.741 1.00 18.00 C ATOM 937 O MET A 813 28.337 15.393 21.269 1.00 19.77 O ATOM 938 CB MET A 813 30.920 13.885 22.409 1.00 20.22 C ATOM 939 CG MET A 813 31.361 12.603 21.644 1.00 20.84 C ATOM 940 SD MET A 813 32.659 12.777 20.386 1.00 21.39 S ATOM 941 CE MET A 813 33.962 13.308 21.451 1.00 23.08 C ATOM 0 H MET A 813 29.794 16.502 22.580 1.00 20.06 H new ATOM 0 HA MET A 813 31.414 15.192 20.882 1.00 17.87 H new ATOM 0 HB2 MET A 813 31.598 14.101 23.069 1.00 20.22 H new ATOM 0 HB3 MET A 813 30.103 13.691 22.895 1.00 20.22 H new ATOM 0 HG2 MET A 813 31.664 11.954 22.298 1.00 20.84 H new ATOM 0 HG3 MET A 813 30.577 12.227 21.214 1.00 20.84 H new ATOM 0 HE1 MET A 813 34.789 13.364 20.947 1.00 23.08 H new ATOM 0 HE2 MET A 813 33.746 14.180 21.816 1.00 23.08 H new ATOM 0 HE3 MET A 813 34.068 12.672 22.176 1.00 23.08 H new ATOM 942 N TRP A 814 29.438 14.593 19.495 1.00 16.59 N ATOM 943 CA TRP A 814 28.277 14.407 18.660 1.00 15.95 C ATOM 944 C TRP A 814 28.529 13.249 17.683 1.00 14.61 C ATOM 945 O TRP A 814 29.705 12.825 17.516 1.00 15.23 O ATOM 946 CB TRP A 814 27.919 15.708 17.948 1.00 14.69 C ATOM 947 CG TRP A 814 29.002 16.318 17.127 1.00 16.88 C ATOM 948 CD1 TRP A 814 29.125 16.228 15.788 1.00 19.05 C ATOM 949 CD2 TRP A 814 30.106 17.118 17.576 1.00 17.83 C ATOM 950 NE1 TRP A 814 30.242 16.943 15.359 1.00 18.72 N ATOM 951 CE2 TRP A 814 30.835 17.511 16.436 1.00 18.93 C ATOM 952 CE3 TRP A 814 30.563 17.510 18.820 1.00 18.97 C ATOM 953 CZ2 TRP A 814 31.977 18.274 16.512 1.00 20.87 C ATOM 954 CZ3 TRP A 814 31.725 18.296 18.890 1.00 20.88 C ATOM 955 CH2 TRP A 814 32.418 18.640 17.747 1.00 20.09 C ATOM 0 H TRP A 814 30.175 14.387 19.103 1.00 16.59 H new ATOM 0 HA TRP A 814 27.511 14.170 19.206 1.00 15.95 H new ATOM 0 HB2 TRP A 814 27.155 15.543 17.374 1.00 14.69 H new ATOM 0 HB3 TRP A 814 27.638 16.355 18.614 1.00 14.69 H new ATOM 0 HD1 TRP A 814 28.548 15.757 15.231 1.00 19.05 H new ATOM 0 HE1 TRP A 814 30.510 17.012 14.545 1.00 18.72 H new ATOM 0 HE3 TRP A 814 30.111 17.259 19.593 1.00 18.97 H new ATOM 0 HZ2 TRP A 814 32.434 18.532 15.744 1.00 20.87 H new ATOM 0 HZ3 TRP A 814 32.032 18.589 19.718 1.00 20.88 H new ATOM 0 HH2 TRP A 814 33.203 19.133 17.822 1.00 20.09 H new ATOM 956 N LEU A 815 27.455 12.714 17.101 1.00 15.04 N ATOM 957 CA LEU A 815 27.545 11.487 16.290 1.00 15.60 C ATOM 958 C LEU A 815 28.441 11.652 15.079 1.00 18.43 C ATOM 959 O LEU A 815 29.258 10.758 14.745 1.00 15.91 O ATOM 960 CB LEU A 815 26.212 10.957 15.857 1.00 15.14 C ATOM 961 CG LEU A 815 25.283 10.540 16.987 1.00 16.89 C ATOM 962 CD1 LEU A 815 23.853 10.389 16.532 1.00 15.41 C ATOM 963 CD2 LEU A 815 25.656 9.225 17.655 1.00 16.10 C ATOM 0 H LEU A 815 26.663 13.043 17.161 1.00 15.04 H new ATOM 0 HA LEU A 815 27.944 10.835 16.887 1.00 15.60 H new ATOM 0 HB2 LEU A 815 25.767 11.636 15.326 1.00 15.14 H new ATOM 0 HB3 LEU A 815 26.357 10.193 15.278 1.00 15.14 H new ATOM 0 HG LEU A 815 25.380 11.266 17.623 1.00 16.89 H new ATOM 0 HD11 LEU A 815 23.300 10.123 17.284 1.00 15.41 H new ATOM 0 HD12 LEU A 815 23.534 11.235 16.180 1.00 15.41 H new ATOM 0 HD13 LEU A 815 23.803 9.712 15.839 1.00 15.41 H new ATOM 0 HD21 LEU A 815 25.020 9.029 18.361 1.00 16.10 H new ATOM 0 HD22 LEU A 815 25.639 8.512 16.998 1.00 16.10 H new ATOM 0 HD23 LEU A 815 26.547 9.295 18.033 1.00 16.10 H new ATOM 964 N ASN A 816 28.342 12.796 14.415 1.00 19.42 N ATOM 965 CA ASN A 816 29.209 13.018 13.201 1.00 20.43 C ATOM 966 C ASN A 816 30.660 13.073 13.527 1.00 17.28 C ATOM 967 O ASN A 816 31.439 12.669 12.719 1.00 17.47 O ATOM 968 CB ASN A 816 28.795 14.245 12.380 1.00 21.17 C ATOM 969 CG ASN A 816 27.372 14.142 11.766 1.00 24.65 C ATOM 970 OD1 ASN A 816 26.780 13.073 11.617 1.00 25.80 O ATOM 971 ND2 ASN A 816 26.835 15.298 11.364 1.00 25.88 N ATOM 0 H ASN A 816 27.813 13.443 14.618 1.00 19.42 H new ATOM 0 HA ASN A 816 29.061 12.236 12.647 1.00 20.43 H new ATOM 0 HB2 ASN A 816 28.837 15.031 12.947 1.00 21.17 H new ATOM 0 HB3 ASN A 816 29.437 14.376 11.665 1.00 21.17 H new ATOM 0 HD21 ASN A 816 26.060 15.306 10.992 1.00 25.88 H new ATOM 0 HD22 ASN A 816 27.265 16.034 11.477 1.00 25.88 H new ATOM 972 N LYS A 817 31.039 13.523 14.717 1.00 17.68 N ATOM 973 CA LYS A 817 32.428 13.479 15.167 1.00 19.59 C ATOM 974 C LYS A 817 32.893 12.060 15.436 1.00 17.80 C ATOM 975 O LYS A 817 34.012 11.693 15.018 1.00 15.33 O ATOM 976 CB LYS A 817 32.609 14.324 16.426 1.00 19.54 C ATOM 977 CG LYS A 817 34.021 14.534 16.872 1.00 24.71 C ATOM 978 CD LYS A 817 33.992 15.409 18.099 1.00 28.53 C ATOM 979 CE LYS A 817 35.364 15.591 18.711 1.00 38.91 C ATOM 980 NZ LYS A 817 36.236 16.264 17.730 1.00 46.56 N ATOM 0 H LYS A 817 30.496 13.864 15.290 1.00 17.68 H new ATOM 0 HA LYS A 817 32.971 13.842 14.450 1.00 19.59 H new ATOM 0 HB2 LYS A 817 32.203 15.192 16.274 1.00 19.54 H new ATOM 0 HB3 LYS A 817 32.118 13.905 17.150 1.00 19.54 H new ATOM 0 HG2 LYS A 817 34.445 13.684 17.071 1.00 24.71 H new ATOM 0 HG3 LYS A 817 34.541 14.953 16.168 1.00 24.71 H new ATOM 0 HD2 LYS A 817 33.627 16.277 17.866 1.00 28.53 H new ATOM 0 HD3 LYS A 817 33.396 15.019 18.757 1.00 28.53 H new ATOM 0 HE2 LYS A 817 35.302 16.118 19.523 1.00 38.91 H new ATOM 0 HE3 LYS A 817 35.738 14.731 18.959 1.00 38.91 H new ATOM 0 HZ1 LYS A 817 36.964 16.570 18.140 1.00 46.56 H new ATOM 0 HZ2 LYS A 817 36.474 15.685 17.097 1.00 46.56 H new ATOM 0 HZ3 LYS A 817 35.797 16.944 17.360 1.00 46.56 H new ATOM 981 N VAL A 818 32.038 11.254 16.013 1.00 16.59 N ATOM 982 CA VAL A 818 32.349 9.798 16.196 1.00 18.38 C ATOM 983 C VAL A 818 32.434 9.102 14.849 1.00 20.06 C ATOM 984 O VAL A 818 33.306 8.263 14.613 1.00 16.25 O ATOM 985 CB VAL A 818 31.303 9.127 17.103 1.00 16.45 C ATOM 986 CG1 VAL A 818 31.531 7.623 17.191 1.00 18.81 C ATOM 987 CG2 VAL A 818 31.321 9.715 18.510 1.00 17.76 C ATOM 0 H VAL A 818 31.270 11.498 16.314 1.00 16.59 H new ATOM 0 HA VAL A 818 33.212 9.719 16.632 1.00 18.38 H new ATOM 0 HB VAL A 818 30.437 9.297 16.701 1.00 16.45 H new ATOM 0 HG11 VAL A 818 30.859 7.227 17.768 1.00 18.81 H new ATOM 0 HG12 VAL A 818 31.467 7.233 16.305 1.00 18.81 H new ATOM 0 HG13 VAL A 818 32.413 7.450 17.556 1.00 18.81 H new ATOM 0 HG21 VAL A 818 30.652 9.272 19.055 1.00 17.76 H new ATOM 0 HG22 VAL A 818 32.197 9.584 18.905 1.00 17.76 H new ATOM 0 HG23 VAL A 818 31.125 10.664 18.467 1.00 17.76 H new ATOM 988 N LYS A 819 31.550 9.459 13.927 1.00 17.42 N ATOM 989 CA LYS A 819 31.633 8.939 12.563 1.00 19.65 C ATOM 990 C LYS A 819 32.993 9.221 11.908 1.00 19.07 C ATOM 991 O LYS A 819 33.642 8.305 11.350 1.00 19.47 O ATOM 992 CB LYS A 819 30.510 9.478 11.664 1.00 20.98 C ATOM 993 CG LYS A 819 30.515 8.844 10.287 1.00 23.71 C ATOM 994 CD LYS A 819 29.379 9.268 9.382 1.00 26.39 C ATOM 995 CE LYS A 819 28.059 8.670 9.786 1.00 28.57 C ATOM 996 NZ LYS A 819 27.034 8.862 8.727 1.00 34.51 N ATOM 0 H LYS A 819 30.896 9.999 14.067 1.00 17.42 H new ATOM 0 HA LYS A 819 31.527 7.979 12.648 1.00 19.65 H new ATOM 0 HB2 LYS A 819 29.653 9.315 12.089 1.00 20.98 H new ATOM 0 HB3 LYS A 819 30.604 10.439 11.575 1.00 20.98 H new ATOM 0 HG2 LYS A 819 31.355 9.057 9.851 1.00 23.71 H new ATOM 0 HG3 LYS A 819 30.486 7.880 10.390 1.00 23.71 H new ATOM 0 HD2 LYS A 819 29.308 10.235 9.391 1.00 26.39 H new ATOM 0 HD3 LYS A 819 29.582 9.007 8.470 1.00 26.39 H new ATOM 0 HE2 LYS A 819 28.171 7.723 9.963 1.00 28.57 H new ATOM 0 HE3 LYS A 819 27.755 9.079 10.611 1.00 28.57 H new ATOM 0 HZ1 LYS A 819 26.301 8.403 8.936 1.00 34.51 H new ATOM 0 HZ2 LYS A 819 26.833 9.727 8.661 1.00 34.51 H new ATOM 0 HZ3 LYS A 819 27.353 8.572 7.949 1.00 34.51 H new ATOM 997 N THR A 820 33.431 10.457 11.985 1.00 20.86 N ATOM 998 CA THR A 820 34.735 10.831 11.432 1.00 21.53 C ATOM 999 C THR A 820 35.891 10.130 12.128 1.00 20.94 C ATOM 1000 O THR A 820 36.840 9.738 11.474 1.00 20.90 O ATOM 1001 CB THR A 820 34.867 12.330 11.474 1.00 20.79 C ATOM 1002 OG1 THR A 820 33.882 12.813 10.562 1.00 23.18 O ATOM 1003 CG2 THR A 820 36.279 12.789 11.075 1.00 27.10 C ATOM 0 H THR A 820 32.997 11.103 12.351 1.00 20.86 H new ATOM 0 HA THR A 820 34.780 10.533 10.510 1.00 21.53 H new ATOM 0 HB THR A 820 34.731 12.677 12.370 1.00 20.79 H new ATOM 0 HG1 THR A 820 33.906 13.652 10.542 1.00 23.18 H new ATOM 0 HG21 THR A 820 36.328 13.757 11.113 1.00 27.10 H new ATOM 0 HG22 THR A 820 36.928 12.409 11.687 1.00 27.10 H new ATOM 0 HG23 THR A 820 36.473 12.491 10.173 1.00 27.10 H new ATOM 1004 N SER A 821 35.847 10.062 13.447 1.00 19.36 N ATOM 1005 CA SER A 821 36.837 9.366 14.220 1.00 21.98 C ATOM 1006 C SER A 821 36.975 7.893 13.811 1.00 20.90 C ATOM 1007 O SER A 821 38.103 7.364 13.699 1.00 21.91 O ATOM 1008 CB SER A 821 36.559 9.504 15.738 1.00 23.73 C ATOM 1009 OG SER A 821 36.677 10.861 16.193 1.00 24.42 O ATOM 0 H SER A 821 35.228 10.427 13.920 1.00 19.36 H new ATOM 0 HA SER A 821 37.689 9.788 14.029 1.00 21.98 H new ATOM 0 HB2 SER A 821 35.667 9.176 15.932 1.00 23.73 H new ATOM 0 HB3 SER A 821 37.180 8.945 16.231 1.00 23.73 H new ATOM 0 HG SER A 821 36.005 11.299 15.945 1.00 24.42 H new ATOM 1010 N LEU A 822 35.861 7.223 13.627 1.00 19.80 N ATOM 1011 CA LEU A 822 35.887 5.872 13.093 1.00 22.11 C ATOM 1012 C LEU A 822 36.435 5.782 11.726 1.00 24.78 C ATOM 1013 O LEU A 822 37.212 4.860 11.405 1.00 27.46 O ATOM 1014 CB LEU A 822 34.483 5.302 13.032 1.00 21.72 C ATOM 1015 CG LEU A 822 34.027 4.622 14.250 1.00 21.30 C ATOM 1016 CD1 LEU A 822 32.588 4.181 13.958 1.00 19.93 C ATOM 1017 CD2 LEU A 822 34.845 3.337 14.610 1.00 18.89 C ATOM 0 H LEU A 822 35.076 7.527 13.803 1.00 19.80 H new ATOM 0 HA LEU A 822 36.463 5.376 13.696 1.00 22.11 H new ATOM 0 HB2 LEU A 822 33.866 6.023 12.832 1.00 21.72 H new ATOM 0 HB3 LEU A 822 34.436 4.675 12.293 1.00 21.72 H new ATOM 0 HG LEU A 822 34.127 5.232 14.997 1.00 21.30 H new ATOM 0 HD11 LEU A 822 32.227 3.721 14.732 1.00 19.93 H new ATOM 0 HD12 LEU A 822 32.044 4.960 13.762 1.00 19.93 H new ATOM 0 HD13 LEU A 822 32.581 3.583 13.195 1.00 19.93 H new ATOM 0 HD21 LEU A 822 34.489 2.943 15.422 1.00 18.89 H new ATOM 0 HD22 LEU A 822 34.778 2.697 13.884 1.00 18.89 H new ATOM 0 HD23 LEU A 822 35.776 3.573 14.747 1.00 18.89 H new ATOM 1018 N ASN A 823 36.023 6.712 10.872 1.00 29.09 N ATOM 1019 CA ASN A 823 36.522 6.724 9.483 1.00 29.56 C ATOM 1020 C ASN A 823 38.035 6.937 9.432 1.00 30.22 C ATOM 1021 O ASN A 823 38.675 6.353 8.572 1.00 31.70 O ATOM 1022 CB ASN A 823 35.780 7.784 8.650 1.00 29.78 C ATOM 1023 CG ASN A 823 36.261 7.868 7.184 1.00 32.83 C ATOM 1024 OD1 ASN A 823 36.777 8.906 6.713 1.00 43.19 O ATOM 1025 ND2 ASN A 823 36.121 6.809 6.490 1.00 30.14 N ATOM 0 H ASN A 823 35.465 7.338 11.063 1.00 29.09 H new ATOM 0 HA ASN A 823 36.342 5.854 9.094 1.00 29.56 H new ATOM 0 HB2 ASN A 823 34.831 7.586 8.660 1.00 29.78 H new ATOM 0 HB3 ASN A 823 35.893 8.651 9.070 1.00 29.78 H new ATOM 0 HD21 ASN A 823 36.385 6.793 5.672 1.00 30.14 H new ATOM 0 HD22 ASN A 823 35.763 6.110 6.840 1.00 30.14 H new ATOM 1026 N GLU A 824 38.579 7.786 10.311 1.00 27.48 N ATOM 1027 CA GLU A 824 39.993 8.149 10.314 1.00 28.00 C ATOM 1028 C GLU A 824 40.808 7.159 11.228 1.00 25.84 C ATOM 1029 O GLU A 824 41.960 7.425 11.483 1.00 28.46 O ATOM 1030 CB GLU A 824 40.153 9.627 10.689 1.00 31.44 C ATOM 1031 CG GLU A 824 39.584 10.566 9.590 1.00 39.59 C ATOM 1032 CD GLU A 824 39.590 12.104 9.880 1.00 54.94 C ATOM 1033 OE1 GLU A 824 40.171 12.563 10.898 1.00 63.79 O ATOM 1034 OE2 GLU A 824 39.006 12.909 9.060 1.00 67.88 O ATOM 0 H GLU A 824 38.125 8.171 10.931 1.00 27.48 H new ATOM 0 HA GLU A 824 40.368 8.055 9.424 1.00 28.00 H new ATOM 0 HB2 GLU A 824 39.698 9.799 11.528 1.00 31.44 H new ATOM 0 HB3 GLU A 824 41.092 9.825 10.829 1.00 31.44 H new ATOM 0 HG2 GLU A 824 40.088 10.413 8.775 1.00 39.59 H new ATOM 0 HG3 GLU A 824 38.669 10.298 9.412 1.00 39.59 H new ATOM 1035 N GLN A 825 40.183 6.069 11.693 1.00 23.04 N ATOM 1036 CA GLN A 825 40.833 5.042 12.550 1.00 24.09 C ATOM 1037 C GLN A 825 41.490 5.661 13.741 1.00 25.95 C ATOM 1038 O GLN A 825 42.595 5.331 14.040 1.00 26.12 O ATOM 1039 CB GLN A 825 41.864 4.232 11.728 1.00 26.71 C ATOM 1040 CG GLN A 825 41.204 3.448 10.606 1.00 30.69 C ATOM 1041 CD GLN A 825 42.123 3.041 9.473 1.00 32.54 C ATOM 1042 OE1 GLN A 825 42.908 3.840 8.958 1.00 32.86 O ATOM 1043 NE2 GLN A 825 41.967 1.825 9.033 1.00 29.41 N ATOM 0 H GLN A 825 39.358 5.897 11.521 1.00 23.04 H new ATOM 0 HA GLN A 825 40.142 4.441 12.871 1.00 24.09 H new ATOM 0 HB2 GLN A 825 42.525 4.835 11.355 1.00 26.71 H new ATOM 0 HB3 GLN A 825 42.337 3.621 12.315 1.00 26.71 H new ATOM 0 HG2 GLN A 825 40.804 2.648 10.982 1.00 30.69 H new ATOM 0 HG3 GLN A 825 40.481 3.981 10.241 1.00 30.69 H new ATOM 0 HE21 GLN A 825 41.409 1.296 9.419 1.00 29.41 H new ATOM 0 HE22 GLN A 825 42.422 1.551 8.357 1.00 29.41 H new ATOM 1044 N MET A 826 40.790 6.519 14.482 1.00 23.00 N ATOM 1045 CA AMET A 826 41.368 7.180 15.648 0.53 23.78 C ATOM 1046 CA BMET A 826 41.366 7.205 15.643 0.47 24.95 C ATOM 1047 C MET A 826 41.151 6.378 16.902 1.00 24.14 C ATOM 1048 O MET A 826 41.719 6.679 17.930 1.00 27.62 O ATOM 1049 CB AMET A 826 40.739 8.564 15.858 0.53 26.27 C ATOM 1050 CB BMET A 826 40.754 8.619 15.861 0.47 29.15 C ATOM 1051 CG AMET A 826 40.945 9.497 14.675 0.53 27.62 C ATOM 1052 CG BMET A 826 40.907 9.618 14.697 0.47 32.91 C ATOM 1053 SD AMET A 826 42.648 10.032 14.510 0.53 31.02 S ATOM 1054 SD BMET A 826 40.373 11.329 15.089 0.47 41.27 S ATOM 1055 CE AMET A 826 42.955 10.895 16.046 0.53 31.20 C ATOM 1056 CE BMET A 826 39.790 11.923 13.514 0.47 37.58 C ATOM 0 H AMET A 826 39.972 6.732 14.323 0.53 23.00 H new ATOM 0 H BMET A 826 39.968 6.721 14.327 0.47 23.00 H new ATOM 0 HA AMET A 826 42.319 7.264 15.476 0.53 24.95 H new ATOM 0 HA BMET A 826 42.313 7.310 15.463 0.47 24.95 H new ATOM 0 HB2AMET A 826 39.788 8.460 16.020 0.53 29.15 H new ATOM 0 HB2BMET A 826 39.808 8.515 16.050 0.47 29.15 H new ATOM 0 HB3AMET A 826 41.119 8.969 16.653 0.53 29.15 H new ATOM 0 HB3BMET A 826 41.161 9.008 16.651 0.47 29.15 H new ATOM 0 HG2AMET A 826 40.670 9.047 13.861 0.53 32.91 H new ATOM 0 HG2BMET A 826 41.837 9.636 14.422 0.47 32.91 H new ATOM 0 HG3AMET A 826 40.373 10.274 14.777 0.53 32.91 H new ATOM 0 HG3BMET A 826 40.393 9.296 13.940 0.47 32.91 H new ATOM 0 HE1AMET A 826 43.688 11.519 15.926 0.53 37.58 H new ATOM 0 HE1BMET A 826 39.822 12.892 13.501 0.47 37.58 H new ATOM 0 HE2AMET A 826 42.157 11.380 16.310 0.53 37.58 H new ATOM 0 HE2BMET A 826 40.353 11.572 12.807 0.47 37.58 H new ATOM 0 HE3AMET A 826 43.187 10.254 16.737 0.53 37.58 H new ATOM 0 HE3BMET A 826 38.876 11.629 13.375 0.47 37.58 H new ATOM 1057 N TYR A 827 40.301 5.366 16.859 1.00 21.64 N ATOM 1058 CA TYR A 827 40.117 4.557 18.070 1.00 21.00 C ATOM 1059 C TYR A 827 41.002 3.323 17.946 1.00 23.33 C ATOM 1060 O TYR A 827 40.973 2.684 16.911 1.00 26.69 O ATOM 1061 CB TYR A 827 38.693 4.088 18.267 1.00 20.78 C ATOM 1062 CG TYR A 827 37.702 5.228 18.374 1.00 17.79 C ATOM 1063 CD1 TYR A 827 37.735 6.094 19.448 1.00 17.50 C ATOM 1064 CD2 TYR A 827 36.740 5.433 17.360 1.00 17.79 C ATOM 1065 CE1 TYR A 827 36.827 7.168 19.530 1.00 18.88 C ATOM 1066 CE2 TYR A 827 35.853 6.476 17.424 1.00 19.03 C ATOM 1067 CZ TYR A 827 35.868 7.332 18.502 1.00 17.82 C ATOM 1068 OH TYR A 827 34.933 8.385 18.613 1.00 19.96 O ATOM 0 H TYR A 827 39.836 5.131 16.175 1.00 21.64 H new ATOM 0 HA TYR A 827 40.348 5.114 18.830 1.00 21.00 H new ATOM 0 HB2 TYR A 827 38.441 3.516 17.525 1.00 20.78 H new ATOM 0 HB3 TYR A 827 38.644 3.548 19.071 1.00 20.78 H new ATOM 0 HD1 TYR A 827 38.362 5.968 20.123 1.00 17.50 H new ATOM 0 HD2 TYR A 827 36.708 4.850 16.636 1.00 17.79 H new ATOM 0 HE1 TYR A 827 36.857 7.759 20.247 1.00 18.88 H new ATOM 0 HE2 TYR A 827 35.239 6.606 16.737 1.00 19.03 H new ATOM 0 HH TYR A 827 35.081 8.818 19.317 1.00 19.96 H new ATOM 1069 N THR A 828 41.769 3.018 18.996 1.00 24.59 N ATOM 1070 CA THR A 828 42.600 1.822 19.026 1.00 22.75 C ATOM 1071 C THR A 828 41.913 0.662 19.711 1.00 21.97 C ATOM 1072 O THR A 828 42.238 -0.493 19.430 1.00 21.77 O ATOM 1073 CB THR A 828 43.956 2.058 19.711 1.00 23.91 C ATOM 1074 OG1 THR A 828 43.743 2.521 21.036 1.00 25.27 O ATOM 1075 CG2 THR A 828 44.768 3.035 18.950 1.00 25.47 C ATOM 0 H THR A 828 41.819 3.500 19.707 1.00 24.59 H new ATOM 0 HA THR A 828 42.752 1.602 18.094 1.00 22.75 H new ATOM 0 HB THR A 828 44.443 1.220 19.737 1.00 23.91 H new ATOM 0 HG1 THR A 828 43.913 3.343 21.077 1.00 25.27 H new ATOM 0 HG21 THR A 828 45.618 3.169 19.399 1.00 25.47 H new ATOM 0 HG22 THR A 828 44.925 2.697 18.054 1.00 25.47 H new ATOM 0 HG23 THR A 828 44.294 3.879 18.898 1.00 25.47 H new ATOM 1076 N ARG A 829 40.928 0.944 20.590 1.00 19.26 N ATOM 1077 CA AARG A 829 40.165 -0.097 21.257 0.23 20.00 C ATOM 1078 CA BARG A 829 40.164 -0.091 21.260 0.77 21.01 C ATOM 1079 C ARG A 829 38.680 0.241 21.261 1.00 19.48 C ATOM 1080 O ARG A 829 38.303 1.410 21.202 1.00 19.77 O ATOM 1081 CB AARG A 829 40.669 -0.295 22.697 0.23 20.70 C ATOM 1082 CB BARG A 829 40.625 -0.228 22.721 0.77 23.35 C ATOM 1083 CG AARG A 829 42.048 -0.960 22.762 0.23 20.90 C ATOM 1084 CG BARG A 829 41.991 -0.943 22.865 0.77 24.46 C ATOM 1085 CD AARG A 829 42.541 -1.246 24.171 0.23 21.44 C ATOM 1086 CD BARG A 829 42.520 -0.868 24.277 0.77 26.61 C ATOM 1087 NE AARG A 829 43.689 -2.152 24.105 0.23 21.74 N ATOM 1088 NE BARG A 829 43.974 -1.062 24.283 0.77 26.06 N ATOM 1089 CZ AARG A 829 44.952 -1.772 23.941 0.23 21.34 C ATOM 1090 CZ BARG A 829 44.614 -2.229 24.308 0.77 29.67 C ATOM 1091 NH1AARG A 829 45.251 -0.497 23.892 0.23 20.21 N ATOM 1092 NH1BARG A 829 43.977 -3.445 24.375 0.77 28.59 N ATOM 1093 NH2AARG A 829 45.920 -2.672 23.831 0.23 21.44 N ATOM 1094 NH2BARG A 829 45.947 -2.179 24.245 0.77 30.84 N ATOM 0 H AARG A 829 40.696 1.743 20.805 0.23 19.26 H new ATOM 0 H BARG A 829 40.696 1.744 20.804 0.77 19.26 H new ATOM 0 HA AARG A 829 40.290 -0.925 20.767 0.23 21.01 H new ATOM 0 HA BARG A 829 40.311 -0.920 20.779 0.77 21.01 H new ATOM 0 HB2AARG A 829 40.709 0.566 23.142 0.23 23.35 H new ATOM 0 HB2BARG A 829 40.685 0.654 23.119 0.77 23.35 H new ATOM 0 HB3AARG A 829 40.031 -0.837 23.186 0.23 23.35 H new ATOM 0 HB3BARG A 829 39.955 -0.720 23.221 0.77 23.35 H new ATOM 0 HG2AARG A 829 42.017 -1.793 22.267 0.23 24.46 H new ATOM 0 HG2BARG A 829 41.898 -1.873 22.604 0.77 24.46 H new ATOM 0 HG3AARG A 829 42.692 -0.388 22.315 0.23 24.46 H new ATOM 0 HG3BARG A 829 42.632 -0.541 22.258 0.77 24.46 H new ATOM 0 HD2AARG A 829 42.793 -0.419 24.611 0.23 26.61 H new ATOM 0 HD2BARG A 829 42.300 -0.007 24.667 0.77 26.61 H new ATOM 0 HD3AARG A 829 41.831 -1.644 24.699 0.23 26.61 H new ATOM 0 HD3BARG A 829 42.094 -1.545 24.826 0.77 26.61 H new ATOM 0 HE AARG A 829 43.534 -2.995 24.178 0.23 26.06 H new ATOM 0 HE BARG A 829 44.460 -0.353 24.269 0.77 26.06 H new ATOM 0 HH11AARG A 829 44.630 0.093 23.966 0.23 28.59 H new ATOM 0 HH11BARG A 829 43.118 -3.480 24.403 0.77 28.59 H new ATOM 0 HH12AARG A 829 46.068 -0.251 23.786 0.23 28.59 H new ATOM 0 HH12BARG A 829 44.437 -4.171 24.389 0.77 28.59 H new ATOM 0 HH21AARG A 829 45.733 -3.511 23.866 0.23 30.84 H new ATOM 0 HH21BARG A 829 46.347 -1.419 24.192 0.77 30.84 H new ATOM 0 HH22AARG A 829 46.734 -2.417 23.725 0.23 30.84 H new ATOM 0 HH22BARG A 829 46.406 -2.906 24.258 0.77 30.84 H new ATOM 1095 N VAL A 830 37.878 -0.781 21.406 1.00 17.09 N ATOM 1096 CA VAL A 830 36.415 -0.613 21.476 1.00 16.75 C ATOM 1097 C VAL A 830 36.001 0.457 22.540 1.00 19.52 C ATOM 1098 O VAL A 830 35.054 1.281 22.306 1.00 18.02 O ATOM 1099 CB VAL A 830 35.732 -1.923 21.706 1.00 14.62 C ATOM 1100 CG1 VAL A 830 34.237 -1.694 21.930 1.00 16.46 C ATOM 1101 CG2 VAL A 830 35.852 -2.789 20.492 1.00 16.65 C ATOM 0 H VAL A 830 38.145 -1.596 21.468 1.00 17.09 H new ATOM 0 HA VAL A 830 36.118 -0.278 20.615 1.00 16.75 H new ATOM 0 HB VAL A 830 36.146 -2.343 22.476 1.00 14.62 H new ATOM 0 HG11 VAL A 830 33.798 -2.546 22.079 1.00 16.46 H new ATOM 0 HG12 VAL A 830 34.109 -1.125 22.705 1.00 16.46 H new ATOM 0 HG13 VAL A 830 33.854 -1.266 21.148 1.00 16.46 H new ATOM 0 HG21 VAL A 830 35.406 -3.635 20.653 1.00 16.65 H new ATOM 0 HG22 VAL A 830 35.439 -2.345 19.735 1.00 16.65 H new ATOM 0 HG23 VAL A 830 36.789 -2.949 20.300 1.00 16.65 H new ATOM 1102 N GLU A 831 36.711 0.446 23.666 1.00 17.28 N ATOM 1103 CA GLU A 831 36.494 1.363 24.784 1.00 20.32 C ATOM 1104 C GLU A 831 36.460 2.876 24.351 1.00 16.57 C ATOM 1105 O GLU A 831 35.650 3.681 24.791 1.00 19.88 O ATOM 1106 CB GLU A 831 37.675 1.150 25.720 1.00 23.85 C ATOM 1107 CG GLU A 831 37.581 1.952 26.969 1.00 32.82 C ATOM 1108 CD GLU A 831 38.675 1.535 27.965 1.00 38.01 C ATOM 1109 OE1 GLU A 831 39.859 1.584 27.525 1.00 38.45 O ATOM 1110 OE2 GLU A 831 38.286 1.086 29.080 1.00 42.95 O ATOM 0 H GLU A 831 37.351 -0.111 23.805 1.00 17.28 H new ATOM 0 HA GLU A 831 35.632 1.178 25.189 1.00 20.32 H new ATOM 0 HB2 GLU A 831 37.733 0.209 25.950 1.00 23.85 H new ATOM 0 HB3 GLU A 831 38.495 1.380 25.255 1.00 23.85 H new ATOM 0 HG2 GLU A 831 37.669 2.895 26.761 1.00 32.82 H new ATOM 0 HG3 GLU A 831 36.707 1.831 27.372 1.00 32.82 H new ATOM 1111 N GLY A 832 37.317 3.222 23.420 1.00 17.35 N ATOM 1112 CA GLY A 832 37.401 4.604 22.866 1.00 17.93 C ATOM 1113 C GLY A 832 36.098 5.016 22.230 1.00 18.28 C ATOM 1114 O GLY A 832 35.609 6.132 22.495 1.00 17.74 O ATOM 0 H GLY A 832 37.882 2.675 23.072 1.00 17.35 H new ATOM 0 HA2 GLY A 832 37.629 5.226 23.575 1.00 17.93 H new ATOM 0 HA3 GLY A 832 38.113 4.649 22.209 1.00 17.93 H new ATOM 1115 N PHE A 833 35.553 4.138 21.389 1.00 18.67 N ATOM 1116 CA PHE A 833 34.323 4.406 20.684 1.00 17.95 C ATOM 1117 C PHE A 833 33.148 4.465 21.661 1.00 17.30 C ATOM 1118 O PHE A 833 32.353 5.357 21.643 1.00 15.89 O ATOM 1119 CB PHE A 833 34.110 3.337 19.607 1.00 16.54 C ATOM 1120 CG PHE A 833 32.727 3.289 19.062 1.00 16.74 C ATOM 1121 CD1 PHE A 833 32.316 4.204 18.097 1.00 17.34 C ATOM 1122 CD2 PHE A 833 31.819 2.322 19.493 1.00 16.38 C ATOM 1123 CE1 PHE A 833 31.029 4.167 17.562 1.00 16.72 C ATOM 1124 CE2 PHE A 833 30.498 2.321 18.998 1.00 15.82 C ATOM 1125 CZ PHE A 833 30.123 3.243 18.034 1.00 17.42 C ATOM 0 H PHE A 833 35.896 3.368 21.217 1.00 18.67 H new ATOM 0 HA PHE A 833 34.379 5.271 20.249 1.00 17.95 H new ATOM 0 HB2 PHE A 833 34.729 3.499 18.878 1.00 16.54 H new ATOM 0 HB3 PHE A 833 34.331 2.469 19.979 1.00 16.54 H new ATOM 0 HD1 PHE A 833 32.913 4.854 17.803 1.00 17.34 H new ATOM 0 HD2 PHE A 833 32.085 1.677 20.108 1.00 16.38 H new ATOM 0 HE1 PHE A 833 30.784 4.762 16.891 1.00 16.72 H new ATOM 0 HE2 PHE A 833 29.881 1.703 19.318 1.00 15.82 H new ATOM 0 HZ PHE A 833 29.254 3.238 17.703 1.00 17.42 H new ATOM 1126 N VAL A 834 33.018 3.441 22.514 1.00 17.69 N ATOM 1127 CA VAL A 834 31.917 3.385 23.497 1.00 17.00 C ATOM 1128 C VAL A 834 32.001 4.559 24.462 1.00 16.21 C ATOM 1129 O VAL A 834 30.968 5.132 24.775 1.00 13.81 O ATOM 1130 CB VAL A 834 31.912 2.037 24.285 1.00 16.75 C ATOM 1131 CG1 VAL A 834 30.855 2.012 25.394 1.00 17.92 C ATOM 1132 CG2 VAL A 834 31.686 0.884 23.317 1.00 16.42 C ATOM 0 H VAL A 834 33.554 2.769 22.542 1.00 17.69 H new ATOM 0 HA VAL A 834 31.084 3.441 23.003 1.00 17.00 H new ATOM 0 HB VAL A 834 32.776 1.944 24.716 1.00 16.75 H new ATOM 0 HG11 VAL A 834 30.889 1.159 25.854 1.00 17.92 H new ATOM 0 HG12 VAL A 834 31.031 2.727 26.025 1.00 17.92 H new ATOM 0 HG13 VAL A 834 29.975 2.134 25.005 1.00 17.92 H new ATOM 0 HG21 VAL A 834 31.683 0.046 23.806 1.00 16.42 H new ATOM 0 HG22 VAL A 834 30.833 1.000 22.869 1.00 16.42 H new ATOM 0 HG23 VAL A 834 32.398 0.870 22.658 1.00 16.42 H new ATOM 1133 N GLN A 835 33.185 4.974 24.884 1.00 17.65 N ATOM 1134 CA GLN A 835 33.279 6.153 25.771 1.00 17.33 C ATOM 1135 C GLN A 835 32.709 7.431 25.101 1.00 17.76 C ATOM 1136 O GLN A 835 31.999 8.200 25.756 1.00 17.90 O ATOM 1137 CB GLN A 835 34.697 6.451 26.302 1.00 20.79 C ATOM 1138 CG GLN A 835 35.082 5.416 27.359 1.00 22.29 C ATOM 1139 CD GLN A 835 36.564 5.382 27.735 1.00 28.13 C ATOM 1140 OE1 GLN A 835 37.421 5.886 27.016 1.00 30.62 O ATOM 1141 NE2 GLN A 835 36.853 4.748 28.880 1.00 31.28 N ATOM 0 H GLN A 835 33.936 4.606 24.682 1.00 17.65 H new ATOM 0 HA GLN A 835 32.736 5.909 26.537 1.00 17.33 H new ATOM 0 HB2 GLN A 835 35.335 6.433 25.572 1.00 20.79 H new ATOM 0 HB3 GLN A 835 34.728 7.342 26.684 1.00 20.79 H new ATOM 0 HG2 GLN A 835 34.564 5.587 28.161 1.00 22.29 H new ATOM 0 HG3 GLN A 835 34.825 4.537 27.038 1.00 22.29 H new ATOM 0 HE21 GLN A 835 36.221 4.409 29.355 1.00 31.28 H new ATOM 0 HE22 GLN A 835 37.670 4.681 29.140 1.00 31.28 H new ATOM 1142 N ASP A 836 33.097 7.709 23.878 1.00 19.31 N ATOM 1143 CA ASP A 836 32.566 8.876 23.152 1.00 17.83 C ATOM 1144 C ASP A 836 31.088 8.757 22.948 1.00 18.96 C ATOM 1145 O ASP A 836 30.423 9.760 23.156 1.00 16.43 O ATOM 1146 CB ASP A 836 33.255 9.101 21.795 1.00 17.96 C ATOM 1147 CG ASP A 836 34.660 9.730 21.934 1.00 20.05 C ATOM 1148 OD1 ASP A 836 35.003 10.166 23.050 1.00 19.81 O ATOM 1149 OD2 ASP A 836 35.363 9.761 20.885 1.00 19.16 O ATOM 0 H ASP A 836 33.668 7.243 23.436 1.00 19.31 H new ATOM 0 HA ASP A 836 32.756 9.646 23.710 1.00 17.83 H new ATOM 0 HB2 ASP A 836 33.329 8.253 21.330 1.00 17.96 H new ATOM 0 HB3 ASP A 836 32.700 9.677 21.247 1.00 17.96 H new ATOM 1150 N MET A 837 30.551 7.576 22.580 1.00 16.82 N ATOM 1151 CA MET A 837 29.102 7.406 22.453 1.00 15.77 C ATOM 1152 C MET A 837 28.378 7.738 23.753 1.00 16.86 C ATOM 1153 O MET A 837 27.389 8.522 23.723 1.00 15.69 O ATOM 1154 CB MET A 837 28.692 6.054 21.930 1.00 14.24 C ATOM 1155 CG MET A 837 29.181 5.761 20.502 1.00 16.18 C ATOM 1156 SD MET A 837 28.375 6.839 19.254 1.00 16.33 S ATOM 1157 CE MET A 837 26.753 6.070 19.214 1.00 17.29 C ATOM 0 H MET A 837 31.011 6.871 22.403 1.00 16.82 H new ATOM 0 HA MET A 837 28.826 8.047 21.779 1.00 15.77 H new ATOM 0 HB2 MET A 837 29.034 5.370 22.526 1.00 14.24 H new ATOM 0 HB3 MET A 837 27.724 5.990 21.950 1.00 14.24 H new ATOM 0 HG2 MET A 837 30.142 5.884 20.460 1.00 16.18 H new ATOM 0 HG3 MET A 837 29.004 4.832 20.286 1.00 16.18 H new ATOM 0 HE1 MET A 837 26.264 6.385 18.438 1.00 17.29 H new ATOM 0 HE2 MET A 837 26.853 5.106 19.163 1.00 17.29 H new ATOM 0 HE3 MET A 837 26.265 6.302 20.019 1.00 17.29 H new ATOM 1158 N ARG A 838 28.845 7.170 24.885 1.00 15.58 N ATOM 1159 CA ARG A 838 28.166 7.406 26.146 1.00 16.15 C ATOM 1160 C ARG A 838 28.276 8.847 26.629 1.00 15.70 C ATOM 1161 O ARG A 838 27.319 9.368 27.275 1.00 15.29 O ATOM 1162 CB ARG A 838 28.714 6.440 27.241 1.00 16.56 C ATOM 1163 CG ARG A 838 28.227 4.994 27.001 1.00 17.17 C ATOM 1164 CD ARG A 838 28.878 3.981 27.944 1.00 16.71 C ATOM 1165 NE ARG A 838 28.206 2.686 27.809 1.00 17.83 N ATOM 1166 CZ ARG A 838 28.668 1.528 28.282 1.00 20.08 C ATOM 1167 NH1 ARG A 838 29.873 1.464 28.841 1.00 19.73 N ATOM 1168 NH2 ARG A 838 27.901 0.435 28.188 1.00 19.38 N ATOM 0 H ARG A 838 29.536 6.660 24.930 1.00 15.58 H new ATOM 0 HA ARG A 838 27.225 7.233 25.987 1.00 16.15 H new ATOM 0 HB2 ARG A 838 29.684 6.462 27.240 1.00 16.56 H new ATOM 0 HB3 ARG A 838 28.424 6.741 28.116 1.00 16.56 H new ATOM 0 HG2 ARG A 838 27.264 4.960 27.112 1.00 17.17 H new ATOM 0 HG3 ARG A 838 28.416 4.742 26.083 1.00 17.17 H new ATOM 0 HD2 ARG A 838 29.821 3.890 27.736 1.00 16.71 H new ATOM 0 HD3 ARG A 838 28.819 4.293 28.860 1.00 16.71 H new ATOM 0 HE ARG A 838 27.454 2.672 27.392 1.00 17.83 H new ATOM 0 HH11 ARG A 838 30.358 2.172 28.899 1.00 19.73 H new ATOM 0 HH12 ARG A 838 30.167 0.715 29.145 1.00 19.73 H new ATOM 0 HH21 ARG A 838 27.122 0.486 27.827 1.00 19.38 H new ATOM 0 HH22 ARG A 838 28.187 -0.318 28.489 1.00 19.38 H new ATOM 1169 N LEU A 839 29.359 9.495 26.253 1.00 16.50 N ATOM 1170 CA LEU A 839 29.612 10.897 26.602 1.00 18.50 C ATOM 1171 C LEU A 839 28.579 11.854 25.972 1.00 17.39 C ATOM 1172 O LEU A 839 28.118 12.815 26.626 1.00 17.80 O ATOM 1173 CB LEU A 839 31.039 11.306 26.139 1.00 19.98 C ATOM 1174 CG LEU A 839 31.510 12.746 26.487 1.00 20.68 C ATOM 1175 CD1 LEU A 839 31.449 12.942 27.999 1.00 22.13 C ATOM 1176 CD2 LEU A 839 32.868 12.951 25.898 1.00 24.14 C ATOM 0 H LEU A 839 29.983 9.137 25.781 1.00 16.50 H new ATOM 0 HA LEU A 839 29.535 10.971 27.566 1.00 18.50 H new ATOM 0 HB2 LEU A 839 31.672 10.681 26.525 1.00 19.98 H new ATOM 0 HB3 LEU A 839 31.086 11.198 25.176 1.00 19.98 H new ATOM 0 HG LEU A 839 30.930 13.423 26.105 1.00 20.68 H new ATOM 0 HD11 LEU A 839 31.742 13.840 28.221 1.00 22.13 H new ATOM 0 HD12 LEU A 839 30.538 12.815 28.305 1.00 22.13 H new ATOM 0 HD13 LEU A 839 32.029 12.296 28.433 1.00 22.13 H new ATOM 0 HD21 LEU A 839 33.179 13.846 26.105 1.00 24.14 H new ATOM 0 HD22 LEU A 839 33.484 12.301 26.270 1.00 24.14 H new ATOM 0 HD23 LEU A 839 32.824 12.839 24.935 1.00 24.14 H new ATOM 1177 N ILE A 840 28.199 11.539 24.749 1.00 16.11 N ATOM 1178 CA ILE A 840 27.112 12.274 24.047 1.00 17.52 C ATOM 1179 C ILE A 840 25.900 12.363 24.947 1.00 17.51 C ATOM 1180 O ILE A 840 25.370 13.439 25.164 1.00 17.79 O ATOM 1181 CB ILE A 840 26.724 11.593 22.698 1.00 16.01 C ATOM 1182 CG1 ILE A 840 27.909 11.627 21.716 1.00 16.11 C ATOM 1183 CG2 ILE A 840 25.452 12.177 22.110 1.00 15.51 C ATOM 1184 CD1 ILE A 840 27.636 10.862 20.421 1.00 16.61 C ATOM 0 H ILE A 840 28.548 10.902 24.289 1.00 16.11 H new ATOM 0 HA ILE A 840 27.438 13.164 23.841 1.00 17.52 H new ATOM 0 HB ILE A 840 26.524 10.661 22.876 1.00 16.01 H new ATOM 0 HG12 ILE A 840 28.119 12.550 21.502 1.00 16.11 H new ATOM 0 HG13 ILE A 840 28.692 11.251 22.149 1.00 16.11 H new ATOM 0 HG21 ILE A 840 25.246 11.729 21.275 1.00 15.51 H new ATOM 0 HG22 ILE A 840 24.720 12.051 22.734 1.00 15.51 H new ATOM 0 HG23 ILE A 840 25.577 13.125 21.945 1.00 15.51 H new ATOM 0 HD11 ILE A 840 28.413 10.917 19.843 1.00 16.61 H new ATOM 0 HD12 ILE A 840 27.452 9.932 20.627 1.00 16.61 H new ATOM 0 HD13 ILE A 840 26.870 11.251 19.971 1.00 16.61 H new ATOM 1185 N PHE A 841 25.425 11.244 25.435 1.00 17.91 N ATOM 1186 CA PHE A 841 24.208 11.232 26.234 1.00 17.72 C ATOM 1187 C PHE A 841 24.367 11.779 27.614 1.00 18.25 C ATOM 1188 O PHE A 841 23.448 12.429 28.135 1.00 18.63 O ATOM 1189 CB PHE A 841 23.567 9.827 26.176 1.00 18.81 C ATOM 1190 CG PHE A 841 23.545 9.259 24.791 1.00 18.12 C ATOM 1191 CD1 PHE A 841 22.870 9.919 23.791 1.00 17.97 C ATOM 1192 CD2 PHE A 841 24.276 8.116 24.468 1.00 17.02 C ATOM 1193 CE1 PHE A 841 22.804 9.387 22.496 1.00 20.22 C ATOM 1194 CE2 PHE A 841 24.230 7.591 23.187 1.00 17.67 C ATOM 1195 CZ PHE A 841 23.540 8.258 22.178 1.00 18.19 C ATOM 0 H PHE A 841 25.787 10.473 25.320 1.00 17.91 H new ATOM 0 HA PHE A 841 23.587 11.862 25.836 1.00 17.72 H new ATOM 0 HB2 PHE A 841 24.058 9.227 26.760 1.00 18.81 H new ATOM 0 HB3 PHE A 841 22.660 9.875 26.516 1.00 18.81 H new ATOM 0 HD1 PHE A 841 22.452 10.729 23.976 1.00 17.97 H new ATOM 0 HD2 PHE A 841 24.798 7.703 25.117 1.00 17.02 H new ATOM 0 HE1 PHE A 841 22.268 9.791 21.852 1.00 20.22 H new ATOM 0 HE2 PHE A 841 24.662 6.789 23.000 1.00 17.67 H new ATOM 0 HZ PHE A 841 23.573 7.949 21.301 1.00 18.19 H new ATOM 1196 N HIS A 842 25.538 11.562 28.196 1.00 18.91 N ATOM 1197 CA HIS A 842 25.851 12.046 29.532 1.00 23.00 C ATOM 1198 C HIS A 842 25.939 13.594 29.525 1.00 22.71 C ATOM 1199 O HIS A 842 25.435 14.243 30.459 1.00 19.67 O ATOM 1200 CB HIS A 842 27.184 11.504 30.059 1.00 24.34 C ATOM 1201 CG HIS A 842 27.395 11.803 31.502 1.00 29.39 C ATOM 1202 ND1 HIS A 842 28.227 12.806 31.940 1.00 34.93 N ATOM 1203 CD2 HIS A 842 26.831 11.270 32.619 1.00 35.93 C ATOM 1204 CE1 HIS A 842 28.205 12.850 33.263 1.00 32.77 C ATOM 1205 NE2 HIS A 842 27.363 11.932 33.701 1.00 37.09 N ATOM 0 H HIS A 842 26.179 11.126 27.824 1.00 18.91 H new ATOM 0 HA HIS A 842 25.139 11.734 30.112 1.00 23.00 H new ATOM 0 HB2 HIS A 842 27.215 10.544 29.924 1.00 24.34 H new ATOM 0 HB3 HIS A 842 27.911 11.887 29.543 1.00 24.34 H new ATOM 0 HD1 HIS A 842 28.690 13.324 31.433 1.00 34.93 H new ATOM 0 HD2 HIS A 842 26.202 10.585 32.646 1.00 35.93 H new ATOM 0 HE1 HIS A 842 28.700 13.430 33.795 1.00 32.77 H new ATOM 1206 N ASN A 843 26.560 14.151 28.491 1.00 20.39 N ATOM 1207 CA ASN A 843 26.631 15.618 28.341 1.00 19.49 C ATOM 1208 C ASN A 843 25.226 16.220 28.257 1.00 20.35 C ATOM 1209 O ASN A 843 24.898 17.210 28.942 1.00 22.50 O ATOM 1210 CB ASN A 843 27.418 16.039 27.097 1.00 17.72 C ATOM 1211 CG ASN A 843 28.938 15.910 27.258 1.00 18.63 C ATOM 1212 OD1 ASN A 843 29.496 15.681 28.326 1.00 20.05 O ATOM 1213 ND2 ASN A 843 29.615 16.093 26.164 1.00 17.83 N ATOM 0 H ASN A 843 26.947 13.708 27.864 1.00 20.39 H new ATOM 0 HA ASN A 843 27.094 15.951 29.126 1.00 19.49 H new ATOM 0 HB2 ASN A 843 27.133 15.497 26.345 1.00 17.72 H new ATOM 0 HB3 ASN A 843 27.200 16.959 26.882 1.00 17.72 H new ATOM 0 HD21 ASN A 843 30.474 16.055 26.178 1.00 17.83 H new ATOM 0 HD22 ASN A 843 29.204 16.252 25.426 1.00 17.83 H new ATOM 1214 N HIS A 844 24.363 15.591 27.461 1.00 19.05 N ATOM 1215 CA HIS A 844 23.004 16.029 27.295 1.00 21.71 C ATOM 1216 C HIS A 844 22.209 16.018 28.624 1.00 21.21 C ATOM 1217 O HIS A 844 21.533 17.013 28.946 1.00 22.88 O ATOM 1218 CB HIS A 844 22.339 15.197 26.228 1.00 19.77 C ATOM 1219 CG HIS A 844 20.895 15.507 25.974 1.00 21.79 C ATOM 1220 ND1 HIS A 844 20.494 16.265 24.900 1.00 21.24 N ATOM 1221 CD2 HIS A 844 19.757 15.128 26.614 1.00 19.64 C ATOM 1222 CE1 HIS A 844 19.167 16.315 24.875 1.00 22.85 C ATOM 1223 NE2 HIS A 844 18.703 15.655 25.916 1.00 21.43 N ATOM 0 H HIS A 844 24.563 14.892 27.002 1.00 19.05 H new ATOM 0 HA HIS A 844 23.014 16.956 27.010 1.00 21.71 H new ATOM 0 HB2 HIS A 844 22.829 15.311 25.399 1.00 19.77 H new ATOM 0 HB3 HIS A 844 22.414 14.262 26.475 1.00 19.77 H new ATOM 0 HD2 HIS A 844 19.704 14.608 27.383 1.00 19.64 H new ATOM 0 HE1 HIS A 844 18.652 16.744 24.230 1.00 22.85 H new ATOM 0 HE2 HIS A 844 17.873 15.569 26.124 1.00 21.43 H new ATOM 1224 N LYS A 845 22.347 14.960 29.391 1.00 22.42 N ATOM 1225 CA ALYS A 845 21.692 14.824 30.711 0.50 25.74 C ATOM 1226 CA BLYS A 845 21.657 14.848 30.663 0.50 25.44 C ATOM 1227 C LYS A 845 22.138 15.895 31.670 1.00 25.58 C ATOM 1228 O LYS A 845 21.340 16.520 32.367 1.00 27.63 O ATOM 1229 CB ALYS A 845 22.061 13.508 31.396 0.50 28.31 C ATOM 1230 CB BLYS A 845 21.862 13.461 31.245 0.50 27.18 C ATOM 1231 CG ALYS A 845 21.436 12.308 30.768 0.50 32.77 C ATOM 1232 CG BLYS A 845 21.071 13.229 32.511 0.50 30.98 C ATOM 1233 CD ALYS A 845 22.007 10.973 31.239 0.50 36.46 C ATOM 1234 CD BLYS A 845 21.978 13.136 33.708 0.50 32.93 C ATOM 1235 CE ALYS A 845 21.003 10.242 32.093 0.50 37.88 C ATOM 1236 CE BLYS A 845 22.321 11.699 33.997 0.50 32.78 C ATOM 1237 NZ ALYS A 845 21.383 8.808 32.160 0.50 39.11 N ATOM 1238 NZ BLYS A 845 21.427 11.193 35.080 0.50 34.22 N ATOM 0 H ALYS A 845 22.827 14.281 29.173 0.50 22.42 H new ATOM 0 H BLYS A 845 22.842 14.285 29.194 0.50 22.42 H new ATOM 0 HA ALYS A 845 20.742 14.880 30.524 0.50 25.44 H new ATOM 0 HA BLYS A 845 20.714 15.003 30.495 0.50 25.44 H new ATOM 0 HB2ALYS A 845 23.025 13.405 31.382 0.50 27.18 H new ATOM 0 HB2BLYS A 845 21.607 12.798 30.585 0.50 27.18 H new ATOM 0 HB3ALYS A 845 21.794 13.552 32.327 0.50 27.18 H new ATOM 0 HB3BLYS A 845 22.805 13.330 31.430 0.50 27.18 H new ATOM 0 HG2ALYS A 845 20.483 12.321 30.951 0.50 30.98 H new ATOM 0 HG2BLYS A 845 20.438 13.953 32.637 0.50 30.98 H new ATOM 0 HG3ALYS A 845 21.541 12.370 29.806 0.50 30.98 H new ATOM 0 HG3BLYS A 845 20.555 12.412 32.428 0.50 30.98 H new ATOM 0 HD2ALYS A 845 22.245 10.428 30.473 0.50 32.93 H new ATOM 0 HD2BLYS A 845 22.790 13.642 33.546 0.50 32.93 H new ATOM 0 HD3ALYS A 845 22.821 11.123 31.744 0.50 32.93 H new ATOM 0 HD3BLYS A 845 21.546 13.533 34.480 0.50 32.93 H new ATOM 0 HE2ALYS A 845 20.979 10.625 32.984 0.50 32.78 H new ATOM 0 HE2BLYS A 845 22.214 11.162 33.196 0.50 32.78 H new ATOM 0 HE3ALYS A 845 20.113 10.336 31.719 0.50 32.78 H new ATOM 0 HE3BLYS A 845 23.250 11.624 34.267 0.50 32.78 H new ATOM 0 HZ1ALYS A 845 20.795 8.368 32.663 0.50 34.22 H new ATOM 0 HZ1BLYS A 845 21.625 10.343 35.256 0.50 34.22 H new ATOM 0 HZ2ALYS A 845 21.388 8.463 31.339 0.50 34.22 H new ATOM 0 HZ2BLYS A 845 21.543 11.682 35.814 0.50 34.22 H new ATOM 0 HZ3ALYS A 845 22.194 8.732 32.518 0.50 34.22 H new ATOM 0 HZ3BLYS A 845 20.579 11.251 34.817 0.50 34.22 H new ATOM 1239 N GLU A 846 23.426 16.084 31.741 1.00 25.99 N ATOM 1240 CA GLU A 846 23.934 17.098 32.614 1.00 29.46 C ATOM 1241 C GLU A 846 23.480 18.509 32.214 1.00 27.35 C ATOM 1242 O GLU A 846 23.130 19.305 33.100 1.00 28.92 O ATOM 1243 CB GLU A 846 25.450 16.994 32.747 1.00 34.39 C ATOM 1244 CG GLU A 846 25.938 15.691 33.402 1.00 39.05 C ATOM 1245 CD GLU A 846 25.381 15.490 34.809 1.00 47.01 C ATOM 1246 OE1 GLU A 846 25.860 16.223 35.710 1.00 52.58 O ATOM 1247 OE2 GLU A 846 24.445 14.654 34.975 1.00 44.74 O ATOM 0 H GLU A 846 24.018 15.643 31.299 1.00 25.99 H new ATOM 0 HA GLU A 846 23.550 16.939 33.490 1.00 29.46 H new ATOM 0 HB2 GLU A 846 25.848 17.070 31.866 1.00 34.39 H new ATOM 0 HB3 GLU A 846 25.771 17.746 33.269 1.00 34.39 H new ATOM 0 HG2 GLU A 846 25.680 14.939 32.846 1.00 39.05 H new ATOM 0 HG3 GLU A 846 26.907 15.697 33.440 1.00 39.05 H new ATOM 1248 N PHE A 847 23.478 18.821 30.919 1.00 23.08 N ATOM 1249 CA PHE A 847 23.173 20.203 30.461 1.00 25.68 C ATOM 1250 C PHE A 847 21.712 20.578 30.649 1.00 25.93 C ATOM 1251 O PHE A 847 21.404 21.699 31.110 1.00 28.49 O ATOM 1252 CB PHE A 847 23.544 20.407 29.023 1.00 24.08 C ATOM 1253 CG PHE A 847 23.365 21.825 28.568 1.00 23.24 C ATOM 1254 CD1 PHE A 847 24.239 22.798 29.015 1.00 25.98 C ATOM 1255 CD2 PHE A 847 22.339 22.167 27.731 1.00 21.92 C ATOM 1256 CE1 PHE A 847 24.107 24.152 28.604 1.00 24.70 C ATOM 1257 CE2 PHE A 847 22.176 23.494 27.328 1.00 26.33 C ATOM 1258 CZ PHE A 847 23.064 24.488 27.771 1.00 24.57 C ATOM 0 H PHE A 847 23.647 18.263 30.287 1.00 23.08 H new ATOM 0 HA PHE A 847 23.713 20.783 31.021 1.00 25.68 H new ATOM 0 HB2 PHE A 847 24.469 20.145 28.892 1.00 24.08 H new ATOM 0 HB3 PHE A 847 23.003 19.824 28.468 1.00 24.08 H new ATOM 0 HD1 PHE A 847 24.926 22.562 29.596 1.00 25.98 H new ATOM 0 HD2 PHE A 847 21.749 21.515 27.430 1.00 21.92 H new ATOM 0 HE1 PHE A 847 24.712 24.797 28.892 1.00 24.70 H new ATOM 0 HE2 PHE A 847 21.474 23.721 26.762 1.00 26.33 H new ATOM 0 HZ PHE A 847 22.948 25.371 27.502 1.00 24.57 H new ATOM 1259 N TYR A 848 20.826 19.658 30.286 1.00 22.25 N ATOM 1260 CA TYR A 848 19.420 19.929 30.296 1.00 25.24 C ATOM 1261 C TYR A 848 18.748 19.673 31.619 1.00 33.47 C ATOM 1262 O TYR A 848 17.580 20.032 31.749 1.00 38.74 O ATOM 1263 CB TYR A 848 18.677 19.240 29.137 1.00 27.04 C ATOM 1264 CG TYR A 848 19.038 19.886 27.788 1.00 26.16 C ATOM 1265 CD1 TYR A 848 18.559 21.139 27.443 1.00 24.47 C ATOM 1266 CD2 TYR A 848 19.833 19.236 26.879 1.00 23.29 C ATOM 1267 CE1 TYR A 848 18.888 21.719 26.220 1.00 25.73 C ATOM 1268 CE2 TYR A 848 20.172 19.799 25.670 1.00 23.01 C ATOM 1269 CZ TYR A 848 19.692 21.055 25.360 1.00 27.96 C ATOM 1270 OH TYR A 848 19.994 21.628 24.164 1.00 29.25 O ATOM 0 H TYR A 848 21.034 18.864 30.029 1.00 22.25 H new ATOM 0 HA TYR A 848 19.357 20.887 30.155 1.00 25.24 H new ATOM 0 HB2 TYR A 848 18.903 18.297 29.119 1.00 27.04 H new ATOM 0 HB3 TYR A 848 17.720 19.299 29.282 1.00 27.04 H new ATOM 0 HD1 TYR A 848 18.010 21.599 28.036 1.00 24.47 H new ATOM 0 HD2 TYR A 848 20.153 18.388 27.086 1.00 23.29 H new ATOM 0 HE1 TYR A 848 18.556 22.559 25.996 1.00 25.73 H new ATOM 0 HE2 TYR A 848 20.716 19.340 25.071 1.00 23.01 H new ATOM 0 HH TYR A 848 19.894 22.460 24.219 1.00 29.25 H new ATOM 1271 N ARG A 849 19.447 19.119 32.604 1.00 34.10 N ATOM 1272 CA ARG A 849 18.994 19.212 34.008 1.00 47.66 C ATOM 1273 C ARG A 849 17.552 18.714 34.140 1.00 43.35 C ATOM 1274 O ARG A 849 17.259 17.595 33.785 1.00 45.10 O ATOM 1275 CB ARG A 849 19.048 20.670 34.515 1.00 55.68 C ATOM 1276 CG ARG A 849 20.367 21.369 34.433 1.00 68.74 C ATOM 1277 CD ARG A 849 21.329 20.832 35.454 1.00 76.14 C ATOM 1278 NE ARG A 849 22.430 21.791 35.589 1.00 79.69 N ATOM 1279 CZ ARG A 849 22.787 22.421 36.703 1.00 74.06 C ATOM 1280 NH1 ARG A 849 22.159 22.211 37.852 1.00 69.70 N ATOM 1281 NH2 ARG A 849 23.815 23.265 36.662 1.00 80.19 N ATOM 0 H ARG A 849 20.182 18.686 32.492 1.00 34.10 H new ATOM 0 HA ARG A 849 19.590 18.661 34.539 1.00 47.66 H new ATOM 0 HB2 ARG A 849 18.400 21.188 34.012 1.00 55.68 H new ATOM 0 HB3 ARG A 849 18.760 20.678 35.441 1.00 55.68 H new ATOM 0 HG2 ARG A 849 20.740 21.259 33.544 1.00 68.74 H new ATOM 0 HG3 ARG A 849 20.241 22.321 34.572 1.00 68.74 H new ATOM 0 HD2 ARG A 849 20.883 20.706 36.306 1.00 76.14 H new ATOM 0 HD3 ARG A 849 21.666 19.965 35.179 1.00 76.14 H new ATOM 0 HE ARG A 849 22.887 21.962 34.881 1.00 79.69 H new ATOM 0 HH11 ARG A 849 21.503 21.656 37.888 1.00 69.70 H new ATOM 0 HH12 ARG A 849 22.407 22.630 38.561 1.00 69.70 H new ATOM 0 HH21 ARG A 849 24.236 23.395 35.923 1.00 80.19 H new ATOM 0 HH22 ARG A 849 24.059 23.681 37.374 1.00 80.19 H new ATOM 1282 N GLU A 850 16.638 19.560 34.589 1.00 40.88 N ATOM 1283 CA GLU A 850 15.315 19.089 34.867 1.00 44.97 C ATOM 1284 C GLU A 850 14.420 19.406 33.693 1.00 36.32 C ATOM 1285 O GLU A 850 13.245 19.119 33.776 1.00 38.76 O ATOM 1286 CB GLU A 850 14.765 19.718 36.181 1.00 55.00 C ATOM 1287 CG GLU A 850 15.669 19.608 37.421 1.00 61.07 C ATOM 1288 CD GLU A 850 16.002 18.173 37.797 1.00 67.78 C ATOM 1289 OE1 GLU A 850 15.067 17.481 38.247 1.00 86.88 O ATOM 1290 OE2 GLU A 850 17.182 17.736 37.656 1.00 73.85 O ATOM 0 H GLU A 850 16.770 20.397 34.735 1.00 40.88 H new ATOM 0 HA GLU A 850 15.337 18.128 34.997 1.00 44.97 H new ATOM 0 HB2 GLU A 850 14.586 20.657 36.017 1.00 55.00 H new ATOM 0 HB3 GLU A 850 13.915 19.299 36.386 1.00 55.00 H new ATOM 0 HG2 GLU A 850 16.493 20.092 37.257 1.00 61.07 H new ATOM 0 HG3 GLU A 850 15.232 20.039 38.172 1.00 61.07 H new ATOM 1291 N ASP A 851 14.910 20.010 32.603 1.00 30.26 N ATOM 1292 CA ASP A 851 14.047 20.147 31.442 1.00 28.93 C ATOM 1293 C ASP A 851 13.725 18.758 30.959 1.00 29.38 C ATOM 1294 O ASP A 851 14.598 17.884 30.927 1.00 25.50 O ATOM 1295 CB ASP A 851 14.715 20.951 30.328 1.00 32.26 C ATOM 1296 CG ASP A 851 13.778 21.398 29.267 1.00 32.85 C ATOM 1297 OD1 ASP A 851 13.127 20.589 28.570 1.00 28.29 O ATOM 1298 OD2 ASP A 851 13.818 22.615 29.005 1.00 33.00 O ATOM 0 H ASP A 851 15.704 20.332 32.522 1.00 30.26 H new ATOM 0 HA ASP A 851 13.243 20.630 31.689 1.00 28.93 H new ATOM 0 HB2 ASP A 851 15.146 21.729 30.716 1.00 32.26 H new ATOM 0 HB3 ASP A 851 15.413 20.411 29.925 1.00 32.26 H new ATOM 1299 N LYS A 852 12.489 18.584 30.547 1.00 24.65 N ATOM 1300 CA LYS A 852 12.016 17.318 30.049 1.00 26.94 C ATOM 1301 C LYS A 852 12.719 16.853 28.750 1.00 23.23 C ATOM 1302 O LYS A 852 12.642 15.670 28.376 1.00 20.65 O ATOM 1303 CB LYS A 852 10.534 17.365 29.835 1.00 28.46 C ATOM 1304 CG LYS A 852 10.076 18.221 28.676 1.00 31.61 C ATOM 1305 CD LYS A 852 8.588 18.514 28.712 1.00 35.32 C ATOM 1306 CE LYS A 852 8.265 19.555 27.609 1.00 35.78 C ATOM 1307 NZ LYS A 852 6.849 19.674 27.253 1.00 32.53 N ATOM 0 H LYS A 852 11.894 19.205 30.549 1.00 24.65 H new ATOM 0 HA LYS A 852 12.238 16.664 30.730 1.00 26.94 H new ATOM 0 HB2 LYS A 852 10.213 16.460 29.696 1.00 28.46 H new ATOM 0 HB3 LYS A 852 10.115 17.693 30.646 1.00 28.46 H new ATOM 0 HG2 LYS A 852 10.566 19.058 28.684 1.00 31.61 H new ATOM 0 HG3 LYS A 852 10.293 17.773 27.843 1.00 31.61 H new ATOM 0 HD2 LYS A 852 8.081 17.700 28.567 1.00 35.32 H new ATOM 0 HD3 LYS A 852 8.333 18.856 29.583 1.00 35.32 H new ATOM 0 HE2 LYS A 852 8.583 20.423 27.902 1.00 35.78 H new ATOM 0 HE3 LYS A 852 8.765 19.324 26.811 1.00 35.78 H new ATOM 0 HZ1 LYS A 852 6.772 20.116 26.484 1.00 32.53 H new ATOM 0 HZ2 LYS A 852 6.496 18.862 27.165 1.00 32.53 H new ATOM 0 HZ3 LYS A 852 6.418 20.117 27.894 1.00 32.53 H new ATOM 1308 N PHE A 853 13.383 17.798 28.075 1.00 19.92 N ATOM 1309 CA PHE A 853 14.228 17.483 26.924 1.00 22.77 C ATOM 1310 C PHE A 853 15.352 16.512 27.308 1.00 20.78 C ATOM 1311 O PHE A 853 15.876 15.798 26.428 1.00 19.32 O ATOM 1312 CB PHE A 853 14.763 18.752 26.284 1.00 21.26 C ATOM 1313 CG PHE A 853 15.405 18.566 24.937 1.00 20.56 C ATOM 1314 CD1 PHE A 853 14.712 18.028 23.902 1.00 22.12 C ATOM 1315 CD2 PHE A 853 16.675 18.999 24.706 1.00 20.99 C ATOM 1316 CE1 PHE A 853 15.308 17.914 22.620 1.00 22.98 C ATOM 1317 CE2 PHE A 853 17.284 18.917 23.456 1.00 21.71 C ATOM 1318 CZ PHE A 853 16.607 18.386 22.418 1.00 21.36 C ATOM 0 H PHE A 853 13.355 18.635 28.273 1.00 19.92 H new ATOM 0 HA PHE A 853 13.682 17.033 26.261 1.00 22.77 H new ATOM 0 HB2 PHE A 853 14.033 19.385 26.194 1.00 21.26 H new ATOM 0 HB3 PHE A 853 15.412 19.151 26.884 1.00 21.26 H new ATOM 0 HD1 PHE A 853 13.840 17.732 24.034 1.00 22.12 H new ATOM 0 HD2 PHE A 853 17.156 19.365 25.413 1.00 20.99 H new ATOM 0 HE1 PHE A 853 14.837 17.527 21.918 1.00 22.98 H new ATOM 0 HE2 PHE A 853 18.153 19.227 23.338 1.00 21.71 H new ATOM 0 HZ PHE A 853 17.001 18.335 21.577 1.00 21.36 H new ATOM 1319 N THR A 854 15.729 16.451 28.588 1.00 20.47 N ATOM 1320 CA ATHR A 854 16.675 15.422 29.074 0.37 21.66 C ATOM 1321 CA BTHR A 854 16.702 15.413 28.990 0.63 21.87 C ATOM 1322 C THR A 854 16.296 14.016 28.540 1.00 22.42 C ATOM 1323 O THR A 854 17.187 13.155 28.263 1.00 21.83 O ATOM 1324 CB ATHR A 854 16.758 15.455 30.641 0.37 23.79 C ATOM 1325 CB BTHR A 854 16.952 15.322 30.508 0.63 24.93 C ATOM 1326 OG1ATHR A 854 17.901 14.740 31.138 0.37 23.09 O ATOM 1327 OG1BTHR A 854 15.756 14.930 31.197 0.63 28.54 O ATOM 1328 CG2ATHR A 854 15.502 14.872 31.288 0.37 24.11 C ATOM 1329 CG2BTHR A 854 17.490 16.595 31.071 0.63 22.85 C ATOM 0 H ATHR A 854 15.452 16.993 29.196 0.37 20.47 H new ATOM 0 H BTHR A 854 15.453 16.970 29.216 0.63 20.47 H new ATOM 0 HA ATHR A 854 17.558 15.624 28.728 0.37 21.87 H new ATOM 0 HA BTHR A 854 17.513 15.705 28.546 0.63 21.87 H new ATOM 0 HB ATHR A 854 16.840 16.392 30.879 0.37 24.93 H new ATOM 0 HB BTHR A 854 17.629 14.641 30.644 0.63 24.93 H new ATOM 0 HG1ATHR A 854 17.914 14.780 31.977 0.37 28.54 H new ATOM 0 HG1BTHR A 854 15.247 15.593 31.274 0.63 28.54 H new ATOM 0 HG21ATHR A 854 15.588 14.909 32.253 0.37 22.85 H new ATOM 0 HG21BTHR A 854 17.632 16.493 32.025 0.63 22.85 H new ATOM 0 HG22ATHR A 854 14.727 15.387 31.013 0.37 22.85 H new ATOM 0 HG22BTHR A 854 18.332 16.809 30.640 0.63 22.85 H new ATOM 0 HG23ATHR A 854 15.392 13.950 31.008 0.37 22.85 H new ATOM 0 HG23BTHR A 854 16.856 17.312 30.914 0.63 22.85 H new ATOM 1330 N ARG A 855 14.993 13.738 28.452 1.00 20.63 N ATOM 1331 CA ARG A 855 14.553 12.400 28.073 1.00 24.56 C ATOM 1332 C ARG A 855 15.015 11.932 26.680 1.00 20.44 C ATOM 1333 O ARG A 855 15.169 10.715 26.443 1.00 21.56 O ATOM 1334 CB ARG A 855 13.012 12.291 28.246 1.00 30.24 C ATOM 1335 CG ARG A 855 12.352 10.982 27.828 1.00 40.46 C ATOM 1336 CD ARG A 855 10.923 10.883 28.383 1.00 50.62 C ATOM 1337 NE ARG A 855 10.190 9.671 27.948 1.00 53.16 N ATOM 1338 CZ ARG A 855 9.239 9.617 26.999 1.00 63.20 C ATOM 1339 NH1 ARG A 855 8.846 10.706 26.297 1.00 58.58 N ATOM 1340 NH2 ARG A 855 8.671 8.434 26.722 1.00 63.52 N ATOM 0 H ARG A 855 14.361 14.301 28.605 1.00 20.63 H new ATOM 0 HA ARG A 855 14.995 11.784 28.678 1.00 24.56 H new ATOM 0 HB2 ARG A 855 12.803 12.447 29.180 1.00 30.24 H new ATOM 0 HB3 ARG A 855 12.602 13.009 27.739 1.00 30.24 H new ATOM 0 HG2 ARG A 855 12.331 10.921 26.860 1.00 40.46 H new ATOM 0 HG3 ARG A 855 12.879 10.233 28.148 1.00 40.46 H new ATOM 0 HD2 ARG A 855 10.961 10.896 29.352 1.00 50.62 H new ATOM 0 HD3 ARG A 855 10.424 11.668 28.108 1.00 50.62 H new ATOM 0 HE ARG A 855 10.392 8.932 28.339 1.00 53.16 H new ATOM 0 HH11 ARG A 855 9.208 11.471 26.451 1.00 58.58 H new ATOM 0 HH12 ARG A 855 8.234 10.633 25.697 1.00 58.58 H new ATOM 0 HH21 ARG A 855 8.917 7.729 27.148 1.00 63.52 H new ATOM 0 HH22 ARG A 855 8.061 8.381 26.118 1.00 63.52 H new ATOM 1341 N LEU A 856 15.290 12.874 25.769 1.00 20.23 N ATOM 1342 CA LEU A 856 15.752 12.484 24.474 1.00 20.21 C ATOM 1343 C LEU A 856 17.114 11.750 24.616 1.00 19.51 C ATOM 1344 O LEU A 856 17.368 10.836 23.886 1.00 20.29 O ATOM 1345 CB LEU A 856 15.914 13.664 23.499 1.00 21.54 C ATOM 1346 CG LEU A 856 14.679 14.079 22.658 1.00 22.16 C ATOM 1347 CD1 LEU A 856 14.182 12.986 21.703 1.00 25.04 C ATOM 1348 CD2 LEU A 856 13.554 14.492 23.553 1.00 24.47 C ATOM 0 H LEU A 856 15.212 13.721 25.894 1.00 20.23 H new ATOM 0 HA LEU A 856 15.074 11.900 24.099 1.00 20.21 H new ATOM 0 HB2 LEU A 856 16.200 14.437 24.011 1.00 21.54 H new ATOM 0 HB3 LEU A 856 16.634 13.448 22.886 1.00 21.54 H new ATOM 0 HG LEU A 856 14.975 14.823 22.110 1.00 22.16 H new ATOM 0 HD11 LEU A 856 13.412 13.311 21.211 1.00 25.04 H new ATOM 0 HD12 LEU A 856 14.889 12.754 21.080 1.00 25.04 H new ATOM 0 HD13 LEU A 856 13.931 12.200 22.213 1.00 25.04 H new ATOM 0 HD21 LEU A 856 12.789 14.749 23.014 1.00 24.47 H new ATOM 0 HD22 LEU A 856 13.309 13.751 24.129 1.00 24.47 H new ATOM 0 HD23 LEU A 856 13.833 15.245 24.097 1.00 24.47 H new ATOM 1349 N GLY A 857 17.955 12.208 25.511 1.00 19.10 N ATOM 1350 CA GLY A 857 19.240 11.562 25.814 1.00 19.88 C ATOM 1351 C GLY A 857 19.056 10.160 26.379 1.00 20.33 C ATOM 1352 O GLY A 857 19.759 9.203 26.005 1.00 18.00 O ATOM 0 H GLY A 857 17.806 12.916 25.977 1.00 19.10 H new ATOM 0 HA2 GLY A 857 19.776 11.517 25.007 1.00 19.88 H new ATOM 0 HA3 GLY A 857 19.731 12.104 26.451 1.00 19.88 H new ATOM 1353 N ILE A 858 18.113 10.034 27.299 1.00 21.34 N ATOM 1354 CA ILE A 858 17.752 8.709 27.824 1.00 21.16 C ATOM 1355 C ILE A 858 17.264 7.759 26.751 1.00 19.75 C ATOM 1356 O ILE A 858 17.687 6.585 26.684 1.00 18.33 O ATOM 1357 CB ILE A 858 16.729 8.784 28.984 1.00 23.27 C ATOM 1358 CG1 ILE A 858 17.399 9.441 30.175 1.00 28.53 C ATOM 1359 CG2 ILE A 858 16.277 7.377 29.349 1.00 23.28 C ATOM 1360 CD1 ILE A 858 16.437 9.982 31.230 1.00 31.79 C ATOM 0 H ILE A 858 17.670 10.690 27.635 1.00 21.34 H new ATOM 0 HA ILE A 858 18.579 8.348 28.179 1.00 21.16 H new ATOM 0 HB ILE A 858 15.954 9.303 28.718 1.00 23.27 H new ATOM 0 HG12 ILE A 858 17.990 8.796 30.594 1.00 28.53 H new ATOM 0 HG13 ILE A 858 17.954 10.170 29.857 1.00 28.53 H new ATOM 0 HG21 ILE A 858 15.636 7.421 30.076 1.00 23.28 H new ATOM 0 HG22 ILE A 858 15.863 6.960 28.578 1.00 23.28 H new ATOM 0 HG23 ILE A 858 17.044 6.852 29.627 1.00 23.28 H new ATOM 0 HD11 ILE A 858 16.943 10.384 31.954 1.00 31.79 H new ATOM 0 HD12 ILE A 858 15.860 10.651 30.829 1.00 31.79 H new ATOM 0 HD13 ILE A 858 15.897 9.256 31.578 1.00 31.79 H new ATOM 1361 N GLN A 859 16.415 8.248 25.881 1.00 18.42 N ATOM 1362 CA GLN A 859 15.870 7.441 24.839 1.00 22.22 C ATOM 1363 C GLN A 859 16.877 6.939 23.816 1.00 19.66 C ATOM 1364 O GLN A 859 16.915 5.740 23.436 1.00 17.77 O ATOM 1365 CB GLN A 859 14.758 8.198 24.107 1.00 24.77 C ATOM 1366 CG GLN A 859 13.530 8.300 24.959 1.00 27.37 C ATOM 1367 CD GLN A 859 12.492 9.215 24.385 1.00 30.53 C ATOM 1368 OE1 GLN A 859 12.788 10.272 23.758 1.00 30.08 O ATOM 1369 NE2 GLN A 859 11.251 8.821 24.589 1.00 35.18 N ATOM 0 H GLN A 859 16.140 9.063 25.882 1.00 18.42 H new ATOM 0 HA GLN A 859 15.527 6.655 25.292 1.00 22.22 H new ATOM 0 HB2 GLN A 859 15.067 9.087 23.871 1.00 24.77 H new ATOM 0 HB3 GLN A 859 14.544 7.743 23.278 1.00 24.77 H new ATOM 0 HG2 GLN A 859 13.147 7.416 25.073 1.00 27.37 H new ATOM 0 HG3 GLN A 859 13.780 8.616 25.841 1.00 27.37 H new ATOM 0 HE21 GLN A 859 11.096 8.094 25.022 1.00 35.18 H new ATOM 0 HE22 GLN A 859 10.596 9.291 24.290 1.00 35.18 H new ATOM 1370 N VAL A 860 17.712 7.845 23.333 1.00 17.75 N ATOM 1371 CA VAL A 860 18.692 7.437 22.358 1.00 18.89 C ATOM 1372 C VAL A 860 19.814 6.580 23.030 1.00 18.48 C ATOM 1373 O VAL A 860 20.239 5.605 22.436 1.00 18.72 O ATOM 1374 CB VAL A 860 19.208 8.632 21.572 1.00 18.92 C ATOM 1375 CG1 VAL A 860 20.249 8.187 20.564 1.00 17.88 C ATOM 1376 CG2 VAL A 860 18.045 9.291 20.848 1.00 19.66 C ATOM 0 H VAL A 860 17.726 8.677 23.552 1.00 17.75 H new ATOM 0 HA VAL A 860 18.273 6.858 21.703 1.00 18.89 H new ATOM 0 HB VAL A 860 19.617 9.264 22.183 1.00 18.92 H new ATOM 0 HG11 VAL A 860 20.570 8.957 20.069 1.00 17.88 H new ATOM 0 HG12 VAL A 860 20.991 7.769 21.028 1.00 17.88 H new ATOM 0 HG13 VAL A 860 19.853 7.550 19.949 1.00 17.88 H new ATOM 0 HG21 VAL A 860 18.368 10.055 20.344 1.00 19.66 H new ATOM 0 HG22 VAL A 860 17.638 8.653 20.241 1.00 19.66 H new ATOM 0 HG23 VAL A 860 17.386 9.587 21.496 1.00 19.66 H new ATOM 1377 N GLN A 861 20.203 6.874 24.265 1.00 16.88 N ATOM 1378 CA GLN A 861 21.127 6.005 24.990 1.00 18.70 C ATOM 1379 C GLN A 861 20.588 4.590 25.102 1.00 18.51 C ATOM 1380 O GLN A 861 21.344 3.625 24.881 1.00 17.83 O ATOM 1381 CB GLN A 861 21.525 6.517 26.384 1.00 21.03 C ATOM 1382 CG GLN A 861 22.676 5.608 26.883 1.00 24.48 C ATOM 1383 CD GLN A 861 23.522 6.154 27.998 1.00 28.62 C ATOM 1384 OE1 GLN A 861 23.213 7.222 28.554 1.00 31.38 O ATOM 1385 NE2 GLN A 861 24.615 5.418 28.357 1.00 24.51 N ATOM 0 H GLN A 861 19.946 7.569 24.701 1.00 16.88 H new ATOM 0 HA GLN A 861 21.935 6.010 24.453 1.00 18.70 H new ATOM 0 HB2 GLN A 861 21.811 7.443 26.342 1.00 21.03 H new ATOM 0 HB3 GLN A 861 20.770 6.481 26.992 1.00 21.03 H new ATOM 0 HG2 GLN A 861 22.294 4.766 27.176 1.00 24.48 H new ATOM 0 HG3 GLN A 861 23.255 5.410 26.131 1.00 24.48 H new ATOM 0 HE21 GLN A 861 24.793 4.684 27.946 1.00 24.51 H new ATOM 0 HE22 GLN A 861 25.125 5.689 28.994 1.00 24.51 H new ATOM 1386 N ASP A 862 19.301 4.436 25.379 1.00 18.71 N ATOM 1387 CA AASP A 862 18.715 3.072 25.411 0.49 20.85 C ATOM 1388 CA BASP A 862 18.736 3.079 25.427 0.51 21.09 C ATOM 1389 C ASP A 862 18.874 2.320 24.091 1.00 21.71 C ATOM 1390 O ASP A 862 19.140 1.089 24.067 1.00 19.15 O ATOM 1391 CB AASP A 862 17.239 3.108 25.810 0.49 21.07 C ATOM 1392 CB BASP A 862 17.278 3.133 25.898 0.51 21.20 C ATOM 1393 CG AASP A 862 17.048 3.448 27.255 0.49 23.69 C ATOM 1394 CG BASP A 862 16.773 1.800 26.393 0.51 24.90 C ATOM 1395 OD1AASP A 862 18.065 3.440 27.968 0.49 24.18 O ATOM 1396 OD1BASP A 862 17.528 1.108 27.091 0.51 27.24 O ATOM 1397 OD2AASP A 862 15.895 3.737 27.696 0.49 27.74 O ATOM 1398 OD2BASP A 862 15.620 1.439 26.093 0.51 24.16 O ATOM 0 H AASP A 862 18.753 5.077 25.548 0.49 18.71 H new ATOM 0 H BASP A 862 18.748 5.075 25.538 0.51 18.71 H new ATOM 0 HA AASP A 862 19.218 2.587 26.084 0.49 21.09 H new ATOM 0 HA BASP A 862 19.255 2.572 26.071 0.51 21.09 H new ATOM 0 HB2AASP A 862 16.774 3.760 25.263 0.49 21.20 H new ATOM 0 HB2BASP A 862 17.196 3.789 26.608 0.51 21.20 H new ATOM 0 HB3AASP A 862 16.836 2.245 25.627 0.49 21.20 H new ATOM 0 HB3BASP A 862 16.717 3.435 25.166 0.51 21.20 H new ATOM 1399 N ILE A 863 18.703 3.022 22.968 1.00 18.80 N ATOM 1400 CA ILE A 863 18.882 2.399 21.669 1.00 18.81 C ATOM 1401 C ILE A 863 20.329 2.000 21.525 1.00 17.71 C ATOM 1402 O ILE A 863 20.639 0.877 21.101 1.00 16.46 O ATOM 1403 CB ILE A 863 18.521 3.408 20.503 1.00 20.14 C ATOM 1404 CG1 ILE A 863 17.036 3.783 20.559 1.00 21.79 C ATOM 1405 CG2 ILE A 863 18.858 2.802 19.129 1.00 20.59 C ATOM 1406 CD1 ILE A 863 16.111 2.606 20.418 1.00 25.53 C ATOM 0 H ILE A 863 18.485 3.854 22.943 1.00 18.80 H new ATOM 0 HA ILE A 863 18.297 1.628 21.608 1.00 18.81 H new ATOM 0 HB ILE A 863 19.053 4.210 20.625 1.00 20.14 H new ATOM 0 HG12 ILE A 863 16.854 4.228 21.401 1.00 21.79 H new ATOM 0 HG13 ILE A 863 16.845 4.421 19.854 1.00 21.79 H new ATOM 0 HG21 ILE A 863 18.629 3.435 18.431 1.00 20.59 H new ATOM 0 HG22 ILE A 863 19.806 2.603 19.087 1.00 20.59 H new ATOM 0 HG23 ILE A 863 18.351 1.985 19.002 1.00 20.59 H new ATOM 0 HD11 ILE A 863 15.191 2.910 20.462 1.00 25.53 H new ATOM 0 HD12 ILE A 863 16.267 2.172 19.565 1.00 25.53 H new ATOM 0 HD13 ILE A 863 16.277 1.976 21.136 1.00 25.53 H new ATOM 1407 N PHE A 864 21.242 2.887 21.889 1.00 15.20 N ATOM 1408 CA PHE A 864 22.672 2.545 21.830 1.00 16.08 C ATOM 1409 C PHE A 864 23.015 1.258 22.658 1.00 16.64 C ATOM 1410 O PHE A 864 23.705 0.403 22.169 1.00 16.74 O ATOM 1411 CB PHE A 864 23.559 3.729 22.306 1.00 17.18 C ATOM 1412 CG PHE A 864 25.003 3.382 22.470 1.00 14.07 C ATOM 1413 CD1 PHE A 864 25.795 3.215 21.372 1.00 15.15 C ATOM 1414 CD2 PHE A 864 25.534 3.138 23.732 1.00 15.76 C ATOM 1415 CE1 PHE A 864 27.105 2.845 21.500 1.00 17.54 C ATOM 1416 CE2 PHE A 864 26.851 2.736 23.877 1.00 16.65 C ATOM 1417 CZ PHE A 864 27.658 2.609 22.770 1.00 17.34 C ATOM 0 H PHE A 864 21.068 3.681 22.170 1.00 15.20 H new ATOM 0 HA PHE A 864 22.866 2.360 20.898 1.00 16.08 H new ATOM 0 HB2 PHE A 864 23.481 4.456 21.668 1.00 17.18 H new ATOM 0 HB3 PHE A 864 23.217 4.057 23.152 1.00 17.18 H new ATOM 0 HD1 PHE A 864 25.439 3.355 20.524 1.00 15.15 H new ATOM 0 HD2 PHE A 864 25.000 3.246 24.485 1.00 15.76 H new ATOM 0 HE1 PHE A 864 27.634 2.749 20.741 1.00 17.54 H new ATOM 0 HE2 PHE A 864 27.190 2.552 24.723 1.00 16.65 H new ATOM 0 HZ PHE A 864 28.553 2.371 22.861 1.00 17.34 H new ATOM 1418 N GLU A 865 22.568 1.203 23.899 1.00 17.11 N ATOM 1419 CA GLU A 865 22.938 0.176 24.842 1.00 18.72 C ATOM 1420 C GLU A 865 22.330 -1.183 24.505 1.00 18.84 C ATOM 1421 O GLU A 865 23.011 -2.170 24.550 1.00 20.04 O ATOM 1422 CB GLU A 865 22.509 0.536 26.214 1.00 18.67 C ATOM 1423 CG GLU A 865 23.267 1.710 26.822 1.00 18.71 C ATOM 1424 CD GLU A 865 24.745 1.564 27.030 1.00 21.42 C ATOM 1425 OE1 GLU A 865 25.308 0.457 26.971 1.00 20.09 O ATOM 1426 OE2 GLU A 865 25.395 2.609 27.274 1.00 19.48 O ATOM 0 H GLU A 865 22.023 1.783 24.224 1.00 17.11 H new ATOM 0 HA GLU A 865 23.904 0.110 24.789 1.00 18.72 H new ATOM 0 HB2 GLU A 865 21.563 0.748 26.200 1.00 18.67 H new ATOM 0 HB3 GLU A 865 22.618 -0.238 26.789 1.00 18.67 H new ATOM 0 HG2 GLU A 865 23.122 2.483 26.254 1.00 18.71 H new ATOM 0 HG3 GLU A 865 22.865 1.910 27.682 1.00 18.71 H new ATOM 1427 N LYS A 866 21.110 -1.179 24.015 1.00 19.93 N ATOM 1428 CA LYS A 866 20.437 -2.417 23.506 1.00 21.07 C ATOM 1429 C LYS A 866 21.183 -3.011 22.341 1.00 21.30 C ATOM 1430 O LYS A 866 21.460 -4.216 22.301 1.00 17.78 O ATOM 1431 CB LYS A 866 18.998 -2.166 23.076 1.00 23.50 C ATOM 1432 CG LYS A 866 17.996 -2.118 24.206 1.00 32.64 C ATOM 1433 CD LYS A 866 16.560 -1.869 23.716 1.00 36.08 C ATOM 1434 CE LYS A 866 15.624 -1.497 24.859 1.00 38.78 C ATOM 1435 NZ LYS A 866 15.175 -2.743 25.527 1.00 42.08 N ATOM 0 H LYS A 866 20.626 -0.471 23.957 1.00 19.93 H new ATOM 0 HA LYS A 866 20.437 -3.038 24.251 1.00 21.07 H new ATOM 0 HB2 LYS A 866 18.961 -1.326 22.592 1.00 23.50 H new ATOM 0 HB3 LYS A 866 18.733 -2.863 22.456 1.00 23.50 H new ATOM 0 HG2 LYS A 866 18.026 -2.955 24.696 1.00 32.64 H new ATOM 0 HG3 LYS A 866 18.248 -1.417 24.827 1.00 32.64 H new ATOM 0 HD2 LYS A 866 16.563 -1.158 23.057 1.00 36.08 H new ATOM 0 HD3 LYS A 866 16.228 -2.665 23.273 1.00 36.08 H new ATOM 0 HE2 LYS A 866 16.079 -0.920 25.493 1.00 38.78 H new ATOM 0 HE3 LYS A 866 14.861 -1.002 24.522 1.00 38.78 H new ATOM 0 HZ1 LYS A 866 14.627 -2.539 26.198 1.00 42.08 H new ATOM 0 HZ2 LYS A 866 14.747 -3.257 24.940 1.00 42.08 H new ATOM 0 HZ3 LYS A 866 15.882 -3.181 25.845 1.00 42.08 H new ATOM 1436 N ASN A 867 21.542 -2.151 21.395 1.00 19.14 N ATOM 1437 CA ASN A 867 22.327 -2.569 20.249 1.00 18.54 C ATOM 1438 C ASN A 867 23.748 -2.973 20.615 1.00 18.90 C ATOM 1439 O ASN A 867 24.238 -3.903 19.962 1.00 16.56 O ATOM 1440 CB ASN A 867 22.275 -1.525 19.095 1.00 18.79 C ATOM 1441 CG ASN A 867 20.935 -1.573 18.345 1.00 20.70 C ATOM 1442 OD1 ASN A 867 20.737 -2.413 17.471 1.00 21.80 O ATOM 1443 ND2 ASN A 867 20.004 -0.639 18.681 1.00 20.94 N ATOM 0 H ASN A 867 21.338 -1.316 21.401 1.00 19.14 H new ATOM 0 HA ASN A 867 21.909 -3.377 19.912 1.00 18.54 H new ATOM 0 HB2 ASN A 867 22.412 -0.635 19.457 1.00 18.79 H new ATOM 0 HB3 ASN A 867 23.000 -1.693 18.473 1.00 18.79 H new ATOM 0 HD21 ASN A 867 19.245 -0.623 18.276 1.00 20.94 H new ATOM 0 HD22 ASN A 867 20.174 -0.065 19.298 1.00 20.94 H new ATOM 1444 N PHE A 868 24.392 -2.272 21.585 1.00 16.30 N ATOM 1445 CA PHE A 868 25.713 -2.640 22.032 1.00 17.70 C ATOM 1446 C PHE A 868 25.643 -4.071 22.555 1.00 17.42 C ATOM 1447 O PHE A 868 26.450 -4.918 22.142 1.00 17.38 O ATOM 1448 CB PHE A 868 26.213 -1.679 23.094 1.00 17.32 C ATOM 1449 CG PHE A 868 27.487 -2.115 23.740 1.00 21.04 C ATOM 1450 CD1 PHE A 868 28.675 -2.065 23.049 1.00 17.42 C ATOM 1451 CD2 PHE A 868 27.460 -2.675 25.017 1.00 21.97 C ATOM 1452 CE1 PHE A 868 29.880 -2.515 23.641 1.00 20.12 C ATOM 1453 CE2 PHE A 868 28.626 -3.130 25.613 1.00 22.66 C ATOM 1454 CZ PHE A 868 29.836 -3.030 24.923 1.00 21.89 C ATOM 0 H PHE A 868 24.061 -1.584 21.981 1.00 16.30 H new ATOM 0 HA PHE A 868 26.346 -2.590 21.298 1.00 17.70 H new ATOM 0 HB2 PHE A 868 26.344 -0.805 22.693 1.00 17.32 H new ATOM 0 HB3 PHE A 868 25.531 -1.579 23.776 1.00 17.32 H new ATOM 0 HD1 PHE A 868 28.687 -1.731 22.181 1.00 17.42 H new ATOM 0 HD2 PHE A 868 26.652 -2.744 25.473 1.00 21.97 H new ATOM 0 HE1 PHE A 868 30.684 -2.465 23.177 1.00 20.12 H new ATOM 0 HE2 PHE A 868 28.603 -3.499 26.466 1.00 22.66 H new ATOM 0 HZ PHE A 868 30.622 -3.313 25.331 1.00 21.89 H new ATOM 1455 N ARG A 869 24.687 -4.345 23.456 1.00 18.53 N ATOM 1456 CA ARG A 869 24.526 -5.698 24.027 1.00 20.30 C ATOM 1457 C ARG A 869 24.257 -6.768 22.950 1.00 22.91 C ATOM 1458 O ARG A 869 24.818 -7.846 23.008 1.00 20.87 O ATOM 1459 CB ARG A 869 23.441 -5.734 25.090 1.00 19.55 C ATOM 1460 CG ARG A 869 23.863 -4.924 26.282 1.00 21.17 C ATOM 1461 CD ARG A 869 22.945 -5.103 27.488 1.00 22.15 C ATOM 1462 NE ARG A 869 21.554 -4.802 27.213 1.00 22.35 N ATOM 1463 CZ ARG A 869 20.967 -3.624 27.404 1.00 24.62 C ATOM 1464 NH1 ARG A 869 21.628 -2.556 27.868 1.00 25.15 N ATOM 1465 NH2 ARG A 869 19.679 -3.491 27.089 1.00 28.61 N ATOM 0 H ARG A 869 24.123 -3.766 23.750 1.00 18.53 H new ATOM 0 HA ARG A 869 25.374 -5.913 24.446 1.00 20.30 H new ATOM 0 HB2 ARG A 869 22.612 -5.384 24.729 1.00 19.55 H new ATOM 0 HB3 ARG A 869 23.269 -6.651 25.357 1.00 19.55 H new ATOM 0 HG2 ARG A 869 24.767 -5.173 26.531 1.00 21.17 H new ATOM 0 HG3 ARG A 869 23.885 -3.986 26.036 1.00 21.17 H new ATOM 0 HD2 ARG A 869 23.013 -6.018 27.803 1.00 22.15 H new ATOM 0 HD3 ARG A 869 23.255 -4.531 28.208 1.00 22.15 H new ATOM 0 HE ARG A 869 21.068 -5.438 26.900 1.00 22.35 H new ATOM 0 HH11 ARG A 869 22.465 -2.616 28.055 1.00 25.15 H new ATOM 0 HH12 ARG A 869 21.215 -1.810 27.979 1.00 25.15 H new ATOM 0 HH21 ARG A 869 19.243 -4.160 26.769 1.00 28.61 H new ATOM 0 HH22 ARG A 869 19.283 -2.736 27.206 1.00 28.61 H new ATOM 1466 N ASN A 870 23.446 -6.444 21.926 1.00 21.11 N ATOM 1467 CA ASN A 870 23.173 -7.382 20.867 1.00 23.29 C ATOM 1468 C ASN A 870 24.407 -7.629 19.957 1.00 22.97 C ATOM 1469 O ASN A 870 24.835 -8.776 19.712 1.00 21.68 O ATOM 1470 CB ASN A 870 21.981 -6.910 20.023 1.00 24.08 C ATOM 1471 CG ASN A 870 21.729 -7.821 18.825 1.00 30.99 C ATOM 1472 OD1 ASN A 870 22.179 -7.564 17.716 1.00 37.10 O ATOM 1473 ND2 ASN A 870 21.078 -8.923 19.071 1.00 31.47 N ATOM 0 H ASN A 870 23.053 -5.684 21.842 1.00 21.11 H new ATOM 0 HA ASN A 870 22.954 -8.227 21.290 1.00 23.29 H new ATOM 0 HB2 ASN A 870 21.186 -6.879 20.577 1.00 24.08 H new ATOM 0 HB3 ASN A 870 22.145 -6.006 19.712 1.00 24.08 H new ATOM 0 HD21 ASN A 870 20.953 -9.498 18.444 1.00 31.47 H new ATOM 0 HD22 ASN A 870 20.774 -9.075 19.861 1.00 31.47 H new ATOM 1474 N ILE A 871 24.993 -6.559 19.441 1.00 21.53 N ATOM 1475 CA ILE A 871 26.093 -6.684 18.483 1.00 21.47 C ATOM 1476 C ILE A 871 27.336 -7.357 19.076 1.00 20.93 C ATOM 1477 O ILE A 871 28.018 -8.142 18.415 1.00 20.14 O ATOM 1478 CB ILE A 871 26.432 -5.287 17.918 1.00 22.00 C ATOM 1479 CG1 ILE A 871 25.258 -4.864 16.998 1.00 22.83 C ATOM 1480 CG2 ILE A 871 27.650 -5.317 17.032 1.00 21.15 C ATOM 1481 CD1 ILE A 871 25.240 -3.375 16.647 1.00 22.69 C ATOM 0 H ILE A 871 24.772 -5.749 19.629 1.00 21.53 H new ATOM 0 HA ILE A 871 25.797 -7.268 17.767 1.00 21.47 H new ATOM 0 HB ILE A 871 26.586 -4.689 18.666 1.00 22.00 H new ATOM 0 HG12 ILE A 871 25.302 -5.379 16.177 1.00 22.83 H new ATOM 0 HG13 ILE A 871 24.421 -5.094 17.432 1.00 22.83 H new ATOM 0 HG21 ILE A 871 27.830 -4.424 16.698 1.00 21.15 H new ATOM 0 HG22 ILE A 871 28.413 -5.631 17.542 1.00 21.15 H new ATOM 0 HG23 ILE A 871 27.492 -5.915 16.285 1.00 21.15 H new ATOM 0 HD11 ILE A 871 24.482 -3.187 16.072 1.00 22.69 H new ATOM 0 HD12 ILE A 871 25.166 -2.851 17.460 1.00 22.69 H new ATOM 0 HD13 ILE A 871 26.061 -3.141 16.186 1.00 22.69 H new ATOM 1482 N PHE A 872 27.650 -7.043 20.323 1.00 19.69 N ATOM 1483 CA PHE A 872 28.812 -7.579 20.919 1.00 19.82 C ATOM 1484 C PHE A 872 28.497 -8.788 21.802 1.00 21.85 C ATOM 1485 O PHE A 872 29.389 -9.250 22.519 1.00 19.80 O ATOM 1486 CB PHE A 872 29.584 -6.521 21.705 1.00 20.09 C ATOM 1487 CG PHE A 872 30.268 -5.575 20.840 1.00 19.28 C ATOM 1488 CD1 PHE A 872 31.515 -5.859 20.372 1.00 19.33 C ATOM 1489 CD2 PHE A 872 29.661 -4.405 20.476 1.00 18.47 C ATOM 1490 CE1 PHE A 872 32.189 -4.964 19.534 1.00 22.21 C ATOM 1491 CE2 PHE A 872 30.338 -3.484 19.661 1.00 21.99 C ATOM 1492 CZ PHE A 872 31.578 -3.776 19.162 1.00 22.06 C ATOM 0 H PHE A 872 27.190 -6.519 20.826 1.00 19.69 H new ATOM 0 HA PHE A 872 29.379 -7.885 20.194 1.00 19.82 H new ATOM 0 HB2 PHE A 872 28.971 -6.041 22.284 1.00 20.09 H new ATOM 0 HB3 PHE A 872 30.233 -6.958 22.279 1.00 20.09 H new ATOM 0 HD1 PHE A 872 31.924 -6.659 20.613 1.00 19.33 H new ATOM 0 HD2 PHE A 872 28.798 -4.219 20.769 1.00 18.47 H new ATOM 0 HE1 PHE A 872 33.044 -5.165 19.228 1.00 22.21 H new ATOM 0 HE2 PHE A 872 29.940 -2.668 19.458 1.00 21.99 H new ATOM 0 HZ PHE A 872 32.004 -3.187 18.582 1.00 22.06 H new ATOM 1493 N ALA A 873 27.268 -9.288 21.723 1.00 20.28 N ATOM 1494 CA ALA A 873 26.868 -10.490 22.418 1.00 21.12 C ATOM 1495 C ALA A 873 27.283 -10.476 23.912 1.00 20.87 C ATOM 1496 O ALA A 873 27.951 -11.405 24.449 1.00 21.94 O ATOM 1497 CB ALA A 873 27.452 -11.692 21.668 1.00 21.92 C ATOM 0 H ALA A 873 26.640 -8.930 21.257 1.00 20.28 H new ATOM 0 HA ALA A 873 25.900 -10.549 22.425 1.00 21.12 H new ATOM 0 HB1 ALA A 873 27.195 -12.511 22.119 1.00 21.92 H new ATOM 0 HB2 ALA A 873 27.112 -11.703 20.760 1.00 21.92 H new ATOM 0 HB3 ALA A 873 28.419 -11.623 21.650 1.00 21.92 H new ATOM 1498 N ILE A 874 26.816 -9.457 24.625 1.00 20.71 N ATOM 1499 CA ILE A 874 27.095 -9.292 26.007 1.00 22.04 C ATOM 1500 C ILE A 874 26.217 -10.299 26.746 1.00 26.07 C ATOM 1501 O ILE A 874 25.098 -10.500 26.368 1.00 22.23 O ATOM 1502 CB ILE A 874 26.751 -7.872 26.509 1.00 23.84 C ATOM 1503 CG1 ILE A 874 27.603 -6.875 25.776 1.00 25.45 C ATOM 1504 CG2 ILE A 874 26.842 -7.756 28.014 1.00 26.22 C ATOM 1505 CD1 ILE A 874 29.058 -7.002 26.050 1.00 24.83 C ATOM 0 H ILE A 874 26.319 -8.838 24.295 1.00 20.71 H new ATOM 0 HA ILE A 874 28.042 -9.429 26.164 1.00 22.04 H new ATOM 0 HB ILE A 874 25.822 -7.677 26.310 1.00 23.84 H new ATOM 0 HG12 ILE A 874 27.453 -6.975 24.823 1.00 25.45 H new ATOM 0 HG13 ILE A 874 27.315 -5.980 26.016 1.00 25.45 H new ATOM 0 HG21 ILE A 874 26.619 -6.851 28.283 1.00 26.22 H new ATOM 0 HG22 ILE A 874 26.221 -8.378 28.425 1.00 26.22 H new ATOM 0 HG23 ILE A 874 27.745 -7.965 28.301 1.00 26.22 H new ATOM 0 HD11 ILE A 874 29.542 -6.330 25.545 1.00 24.83 H new ATOM 0 HD12 ILE A 874 29.221 -6.874 26.998 1.00 24.83 H new ATOM 0 HD13 ILE A 874 29.361 -7.885 25.786 1.00 24.83 H new ATOM 1506 N GLN A 875 26.747 -10.913 27.798 1.00 24.82 N ATOM 1507 CA GLN A 875 26.025 -11.961 28.562 1.00 28.56 C ATOM 1508 C GLN A 875 24.778 -11.370 29.150 1.00 26.70 C ATOM 1509 O GLN A 875 24.850 -10.347 29.796 1.00 25.24 O ATOM 1510 CB GLN A 875 26.923 -12.519 29.721 1.00 28.03 C ATOM 1511 CG GLN A 875 26.218 -13.528 30.692 1.00 29.33 C ATOM 1512 CD GLN A 875 25.634 -14.738 29.975 1.00 28.31 C ATOM 1513 OE1 GLN A 875 26.316 -15.412 29.214 1.00 28.25 O ATOM 1514 NE2 GLN A 875 24.375 -14.997 30.193 1.00 29.02 N ATOM 0 H GLN A 875 27.534 -10.743 28.099 1.00 24.82 H new ATOM 0 HA GLN A 875 25.803 -12.688 27.960 1.00 28.56 H new ATOM 0 HB2 GLN A 875 27.695 -12.956 29.329 1.00 28.03 H new ATOM 0 HB3 GLN A 875 27.255 -11.771 30.242 1.00 28.03 H new ATOM 0 HG2 GLN A 875 26.857 -13.830 31.356 1.00 29.33 H new ATOM 0 HG3 GLN A 875 25.509 -13.068 31.169 1.00 29.33 H new ATOM 0 HE21 GLN A 875 23.922 -14.505 30.734 1.00 29.02 H new ATOM 0 HE22 GLN A 875 23.997 -15.660 29.796 1.00 29.02 H new ATOM 1515 N GLU A 876 23.645 -12.017 28.928 1.00 26.80 N ATOM 1516 CA GLU A 876 22.396 -11.536 29.483 1.00 32.15 C ATOM 1517 C GLU A 876 22.412 -11.668 30.996 1.00 35.10 C ATOM 1518 O GLU A 876 22.922 -12.701 31.524 1.00 29.37 O ATOM 1519 CB GLU A 876 21.237 -12.293 28.884 1.00 35.01 C ATOM 1520 CG GLU A 876 20.949 -11.852 27.443 1.00 41.00 C ATOM 1521 CD GLU A 876 20.059 -10.601 27.371 1.00 43.17 C ATOM 1522 OE1 GLU A 876 18.970 -10.607 27.947 1.00 46.61 O ATOM 1523 OE2 GLU A 876 20.439 -9.618 26.731 1.00 47.94 O ATOM 0 H GLU A 876 23.579 -12.735 28.459 1.00 26.80 H new ATOM 0 HA GLU A 876 22.290 -10.597 29.263 1.00 32.15 H new ATOM 0 HB2 GLU A 876 21.430 -13.244 28.898 1.00 35.01 H new ATOM 0 HB3 GLU A 876 20.446 -12.156 29.428 1.00 35.01 H new ATOM 0 HG2 GLU A 876 21.788 -11.674 26.990 1.00 41.00 H new ATOM 0 HG3 GLU A 876 20.518 -12.579 26.967 1.00 41.00 H new ATOM 1524 N THR A 877 22.005 -10.589 31.677 1.00 38.75 N ATOM 1525 CA THR A 877 21.789 -10.608 33.169 1.00 48.78 C ATOM 1526 C THR A 877 20.392 -10.108 33.580 1.00 59.41 C ATOM 1527 O THR A 877 19.713 -9.400 32.823 1.00 61.06 O ATOM 1528 CB THR A 877 22.820 -9.742 33.967 1.00 47.71 C ATOM 1529 OG1 THR A 877 22.825 -8.417 33.453 1.00 51.98 O ATOM 1530 CG2 THR A 877 24.227 -10.302 33.890 1.00 48.87 C ATOM 0 H THR A 877 21.844 -9.828 31.310 1.00 38.75 H new ATOM 0 HA THR A 877 21.900 -11.545 33.393 1.00 48.78 H new ATOM 0 HB THR A 877 22.545 -9.752 34.897 1.00 47.71 H new ATOM 0 HG1 THR A 877 23.377 -7.952 33.882 1.00 51.98 H new ATOM 0 HG21 THR A 877 24.829 -9.735 34.397 1.00 48.87 H new ATOM 0 HG22 THR A 877 24.239 -11.199 34.260 1.00 48.87 H new ATOM 0 HG23 THR A 877 24.514 -10.331 32.964 1.00 48.87 H new ATOM 1531 N SER A 878 19.984 -10.490 34.791 1.00 76.16 N ATOM 1532 CA SER A 878 18.878 -9.831 35.519 1.00 82.70 C ATOM 1533 C SER A 878 19.390 -8.544 36.138 1.00 79.29 C ATOM 1534 O SER A 878 18.908 -7.475 35.810 1.00 96.71 O ATOM 1535 CB SER A 878 18.342 -10.731 36.637 1.00 83.78 C ATOM 1536 OG SER A 878 19.415 -11.225 37.429 1.00 82.49 O ATOM 0 H SER A 878 20.340 -11.143 35.222 1.00 76.16 H new ATOM 0 HA SER A 878 18.162 -9.651 34.890 1.00 82.70 H new ATOM 0 HB2 SER A 878 17.723 -10.233 37.194 1.00 83.78 H new ATOM 0 HB3 SER A 878 17.846 -11.472 36.255 1.00 83.78 H new ATOM 0 HG SER A 878 19.110 -11.715 38.039 1.00 82.49 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.422 40.759 40.524 1.00 58.80 N ATOM 1539 CA GLU B 700 -5.395 40.799 39.438 1.00 58.70 C ATOM 1540 C GLU B 700 -5.334 39.516 38.521 1.00 58.13 C ATOM 1541 O GLU B 700 -4.531 39.493 37.582 1.00 68.72 O ATOM 1542 CB GLU B 700 -4.019 41.122 40.050 1.00 49.58 C ATOM 0 HA GLU B 700 -5.669 41.504 38.831 1.00 58.70 H new ATOM 1543 N ASN B 701 -6.135 38.470 38.792 1.00 48.49 N ATOM 1544 CA ASN B 701 -6.302 37.327 37.841 1.00 51.33 C ATOM 1545 C ASN B 701 -7.752 36.977 37.454 1.00 53.03 C ATOM 1546 O ASN B 701 -8.632 37.014 38.308 1.00 56.52 O ATOM 1547 CB ASN B 701 -5.666 36.048 38.390 1.00 50.53 C ATOM 1548 CG ASN B 701 -4.148 36.087 38.324 1.00 58.62 C ATOM 1549 OD1 ASN B 701 -3.523 35.653 37.311 1.00 44.15 O ATOM 1550 ND2 ASN B 701 -3.533 36.597 39.405 1.00 54.83 N ATOM 0 H ASN B 701 -6.593 38.395 39.516 1.00 48.49 H new ATOM 0 HA ASN B 701 -5.857 37.649 37.041 1.00 51.33 H new ATOM 0 HB2 ASN B 701 -5.945 35.919 39.310 1.00 50.53 H new ATOM 0 HB3 ASN B 701 -5.990 35.285 37.886 1.00 50.53 H new ATOM 0 HD21 ASN B 701 -2.674 36.640 39.431 1.00 54.83 H new ATOM 0 HD22 ASN B 701 -3.998 36.880 40.071 1.00 54.83 H new ATOM 1551 N SER B 702 -7.970 36.579 36.192 1.00 41.56 N ATOM 1552 CA SER B 702 -9.272 36.140 35.711 1.00 36.01 C ATOM 1553 C SER B 702 -9.866 35.061 36.591 1.00 32.98 C ATOM 1554 O SER B 702 -9.151 34.230 37.103 1.00 30.95 O ATOM 1555 CB SER B 702 -9.165 35.590 34.281 1.00 35.62 C ATOM 1556 OG SER B 702 -10.458 35.285 33.728 1.00 34.20 O ATOM 0 H SER B 702 -7.355 36.559 35.592 1.00 41.56 H new ATOM 0 HA SER B 702 -9.850 36.918 35.731 1.00 36.01 H new ATOM 0 HB2 SER B 702 -8.717 36.240 33.717 1.00 35.62 H new ATOM 0 HB3 SER B 702 -8.617 34.790 34.282 1.00 35.62 H new ATOM 0 HG SER B 702 -10.366 34.988 32.947 1.00 34.20 H new ATOM 1557 N ASN B 703 -11.200 35.049 36.720 1.00 33.24 N ATOM 1558 CA ASN B 703 -11.914 33.903 37.367 1.00 35.46 C ATOM 1559 C ASN B 703 -12.477 32.892 36.381 1.00 32.02 C ATOM 1560 O ASN B 703 -13.304 32.064 36.728 1.00 32.21 O ATOM 1561 CB ASN B 703 -13.059 34.441 38.233 1.00 49.81 C ATOM 1562 CG ASN B 703 -14.174 35.043 37.397 1.00 58.27 C ATOM 1563 OD1 ASN B 703 -13.923 35.689 36.361 1.00 65.77 O ATOM 1564 ND2 ASN B 703 -15.410 34.863 37.850 1.00 72.73 N ATOM 0 H ASN B 703 -11.715 35.681 36.447 1.00 33.24 H new ATOM 0 HA ASN B 703 -11.252 33.436 37.900 1.00 35.46 H new ATOM 0 HB2 ASN B 703 -13.417 33.722 38.777 1.00 49.81 H new ATOM 0 HB3 ASN B 703 -12.714 35.113 38.842 1.00 49.81 H new ATOM 0 HD21 ASN B 703 -16.077 35.199 37.424 1.00 72.73 H new ATOM 0 HD22 ASN B 703 -15.543 34.411 38.569 1.00 72.73 H new ATOM 1565 N ILE B 704 -12.050 32.953 35.123 1.00 30.51 N ATOM 1566 CA ILE B 704 -12.354 31.862 34.191 1.00 33.26 C ATOM 1567 C ILE B 704 -11.028 31.414 33.497 1.00 26.17 C ATOM 1568 O ILE B 704 -10.137 32.200 33.326 1.00 24.97 O ATOM 1569 CB ILE B 704 -13.424 32.228 33.133 1.00 34.00 C ATOM 1570 CG1 ILE B 704 -13.060 33.511 32.432 1.00 37.58 C ATOM 1571 CG2 ILE B 704 -14.848 32.292 33.730 1.00 40.33 C ATOM 1572 CD1 ILE B 704 -13.980 33.834 31.279 1.00 39.34 C ATOM 0 H ILE B 704 -11.592 33.601 34.791 1.00 30.51 H new ATOM 0 HA ILE B 704 -12.737 31.135 34.707 1.00 33.26 H new ATOM 0 HB ILE B 704 -13.436 31.514 32.476 1.00 34.00 H new ATOM 0 HG12 ILE B 704 -13.082 34.240 33.071 1.00 37.58 H new ATOM 0 HG13 ILE B 704 -12.149 33.448 32.105 1.00 37.58 H new ATOM 0 HG21 ILE B 704 -15.481 32.524 33.033 1.00 40.33 H new ATOM 0 HG22 ILE B 704 -15.081 31.428 34.104 1.00 40.33 H new ATOM 0 HG23 ILE B 704 -14.876 32.965 34.428 1.00 40.33 H new ATOM 0 HD11 ILE B 704 -13.701 34.666 30.866 1.00 39.34 H new ATOM 0 HD12 ILE B 704 -13.942 33.119 30.624 1.00 39.34 H new ATOM 0 HD13 ILE B 704 -14.889 33.924 31.606 1.00 39.34 H new ATOM 1573 N CYS B 705 -11.000 30.145 33.129 1.00 24.25 N ATOM 1574 CA CYS B 705 -9.939 29.550 32.301 1.00 24.15 C ATOM 1575 C CYS B 705 -9.797 30.268 30.975 1.00 25.38 C ATOM 1576 O CYS B 705 -10.765 30.395 30.243 1.00 26.37 O ATOM 1577 CB CYS B 705 -10.285 28.115 32.049 1.00 24.55 C ATOM 1578 SG CYS B 705 -9.016 27.131 31.092 1.00 21.52 S ATOM 0 H CYS B 705 -11.610 29.582 33.355 1.00 24.25 H new ATOM 0 HA CYS B 705 -9.096 29.628 32.774 1.00 24.15 H new ATOM 0 HB2 CYS B 705 -10.430 27.680 32.904 1.00 24.55 H new ATOM 0 HB3 CYS B 705 -11.126 28.082 31.567 1.00 24.55 H new ATOM 1579 N GLU B 706 -8.564 30.591 30.607 1.00 24.92 N ATOM 1580 CA GLU B 706 -8.286 31.305 29.371 1.00 24.76 C ATOM 1581 C GLU B 706 -8.685 30.475 28.172 1.00 22.06 C ATOM 1582 O GLU B 706 -8.984 31.066 27.158 1.00 24.40 O ATOM 1583 CB GLU B 706 -6.807 31.621 29.252 1.00 24.70 C ATOM 1584 CG GLU B 706 -6.398 32.538 28.086 1.00 27.44 C ATOM 1585 CD GLU B 706 -6.638 34.003 28.396 1.00 29.68 C ATOM 1586 OE1 GLU B 706 -7.295 34.259 29.450 1.00 31.06 O ATOM 1587 OE2 GLU B 706 -6.137 34.859 27.606 1.00 29.18 O ATOM 0 H GLU B 706 -7.864 30.401 31.069 1.00 24.92 H new ATOM 0 HA GLU B 706 -8.800 32.127 29.392 1.00 24.76 H new ATOM 0 HB2 GLU B 706 -6.516 32.033 30.080 1.00 24.70 H new ATOM 0 HB3 GLU B 706 -6.323 30.785 29.166 1.00 24.70 H new ATOM 0 HG2 GLU B 706 -5.459 32.402 27.884 1.00 27.44 H new ATOM 0 HG3 GLU B 706 -6.898 32.291 27.292 1.00 27.44 H new ATOM 1588 N VAL B 707 -8.623 29.157 28.282 1.00 20.14 N ATOM 1589 CA VAL B 707 -8.811 28.279 27.168 1.00 21.77 C ATOM 1590 C VAL B 707 -10.270 27.920 26.921 1.00 22.21 C ATOM 1591 O VAL B 707 -10.750 28.058 25.787 1.00 23.29 O ATOM 1592 CB VAL B 707 -7.967 26.992 27.304 1.00 21.23 C ATOM 1593 CG1 VAL B 707 -8.116 26.094 26.090 1.00 22.08 C ATOM 1594 CG2 VAL B 707 -6.498 27.351 27.453 1.00 21.28 C ATOM 0 H VAL B 707 -8.467 28.751 29.024 1.00 20.14 H new ATOM 0 HA VAL B 707 -8.503 28.778 26.395 1.00 21.77 H new ATOM 0 HB VAL B 707 -8.287 26.518 28.088 1.00 21.23 H new ATOM 0 HG11 VAL B 707 -7.575 25.298 26.208 1.00 22.08 H new ATOM 0 HG12 VAL B 707 -9.046 25.840 25.988 1.00 22.08 H new ATOM 0 HG13 VAL B 707 -7.822 26.570 25.297 1.00 22.08 H new ATOM 0 HG21 VAL B 707 -5.973 26.540 27.538 1.00 21.28 H new ATOM 0 HG22 VAL B 707 -6.205 27.845 26.671 1.00 21.28 H new ATOM 0 HG23 VAL B 707 -6.377 27.898 28.245 1.00 21.28 H new ATOM 1595 N CYS B 708 -10.935 27.397 27.960 1.00 21.04 N ATOM 1596 CA CYS B 708 -12.303 26.895 27.803 1.00 21.15 C ATOM 1597 C CYS B 708 -13.337 27.862 28.372 1.00 23.32 C ATOM 1598 O CYS B 708 -14.518 27.570 28.257 1.00 25.04 O ATOM 1599 CB CYS B 708 -12.464 25.535 28.430 1.00 20.87 C ATOM 1600 SG CYS B 708 -12.443 25.566 30.277 1.00 21.50 S ATOM 0 H CYS B 708 -10.614 27.325 28.755 1.00 21.04 H new ATOM 0 HA CYS B 708 -12.461 26.817 26.849 1.00 21.15 H new ATOM 0 HB2 CYS B 708 -13.300 25.146 28.130 1.00 20.87 H new ATOM 0 HB3 CYS B 708 -11.752 24.956 28.116 1.00 20.87 H new ATOM 1601 N ASN B 709 -12.915 28.982 28.976 1.00 25.90 N ATOM 1602 CA ASN B 709 -13.833 29.976 29.532 1.00 28.00 C ATOM 1603 C ASN B 709 -14.770 29.510 30.649 1.00 30.15 C ATOM 1604 O ASN B 709 -15.743 30.201 30.923 1.00 33.16 O ATOM 1605 CB ASN B 709 -14.603 30.667 28.413 1.00 29.22 C ATOM 1606 CG ASN B 709 -13.692 31.158 27.334 1.00 35.01 C ATOM 1607 OD1 ASN B 709 -13.627 30.563 26.257 1.00 40.56 O ATOM 1608 ND2 ASN B 709 -12.934 32.202 27.623 1.00 34.57 N ATOM 0 H ASN B 709 -12.084 29.183 29.073 1.00 25.90 H new ATOM 0 HA ASN B 709 -13.252 30.605 29.988 1.00 28.00 H new ATOM 0 HB2 ASN B 709 -15.249 30.049 28.035 1.00 29.22 H new ATOM 0 HB3 ASN B 709 -15.104 31.413 28.778 1.00 29.22 H new ATOM 0 HD21 ASN B 709 -12.365 32.493 27.047 1.00 34.57 H new ATOM 0 HD22 ASN B 709 -13.010 32.590 28.387 1.00 34.57 H new ATOM 1609 N LYS B 710 -14.473 28.386 31.294 1.00 25.89 N ATOM 1610 CA LYS B 710 -15.226 27.879 32.425 1.00 30.27 C ATOM 1611 C LYS B 710 -14.512 28.157 33.808 1.00 33.22 C ATOM 1612 O LYS B 710 -13.289 28.340 33.938 1.00 29.72 O ATOM 1613 CB LYS B 710 -15.444 26.383 32.284 1.00 31.05 C ATOM 1614 CG LYS B 710 -16.223 25.932 31.055 1.00 38.95 C ATOM 1615 CD LYS B 710 -17.542 26.649 30.866 1.00 45.60 C ATOM 1616 CE LYS B 710 -18.337 26.048 29.698 1.00 54.76 C ATOM 1617 NZ LYS B 710 -19.731 26.564 29.568 1.00 53.25 N ATOM 0 H LYS B 710 -13.808 27.886 31.076 1.00 25.89 H new ATOM 0 HA LYS B 710 -16.074 28.350 32.423 1.00 30.27 H new ATOM 0 HB2 LYS B 710 -14.577 25.948 32.273 1.00 31.05 H new ATOM 0 HB3 LYS B 710 -15.910 26.067 33.074 1.00 31.05 H new ATOM 0 HG2 LYS B 710 -15.674 26.070 30.267 1.00 38.95 H new ATOM 0 HG3 LYS B 710 -16.390 24.979 31.121 1.00 38.95 H new ATOM 0 HD2 LYS B 710 -18.065 26.590 31.681 1.00 45.60 H new ATOM 0 HD3 LYS B 710 -17.380 27.591 30.700 1.00 45.60 H new ATOM 0 HE2 LYS B 710 -17.860 26.225 28.872 1.00 54.76 H new ATOM 0 HE3 LYS B 710 -18.370 25.085 29.806 1.00 54.76 H new ATOM 0 HZ1 LYS B 710 -20.129 26.174 28.874 1.00 53.25 H new ATOM 0 HZ2 LYS B 710 -20.186 26.382 30.311 1.00 53.25 H new ATOM 0 HZ3 LYS B 710 -19.711 27.445 29.441 1.00 53.25 H new ATOM 1618 N TRP B 711 -15.310 28.149 34.866 1.00 36.44 N ATOM 1619 CA TRP B 711 -14.866 28.557 36.202 1.00 35.88 C ATOM 1620 C TRP B 711 -14.345 27.312 36.890 1.00 30.95 C ATOM 1621 O TRP B 711 -14.461 26.184 36.387 1.00 29.78 O ATOM 1622 CB TRP B 711 -16.063 29.177 37.021 1.00 41.75 C ATOM 1623 CG TRP B 711 -16.788 28.132 37.801 1.00 45.91 C ATOM 1624 CD1 TRP B 711 -17.460 27.040 37.283 1.00 52.18 C ATOM 1625 CD2 TRP B 711 -16.845 28.002 39.245 1.00 52.27 C ATOM 1626 NE1 TRP B 711 -17.943 26.246 38.320 1.00 61.60 N ATOM 1627 CE2 TRP B 711 -17.585 26.801 39.527 1.00 58.00 C ATOM 1628 CE3 TRP B 711 -16.379 28.798 40.331 1.00 53.70 C ATOM 1629 CZ2 TRP B 711 -17.870 26.369 40.865 1.00 54.83 C ATOM 1630 CZ3 TRP B 711 -16.667 28.375 41.654 1.00 50.59 C ATOM 1631 CH2 TRP B 711 -17.406 27.164 41.902 1.00 51.87 C ATOM 0 H TRP B 711 -16.134 27.905 34.834 1.00 36.44 H new ATOM 0 HA TRP B 711 -14.176 29.236 36.142 1.00 35.88 H new ATOM 0 HB2 TRP B 711 -15.726 29.858 37.624 1.00 41.75 H new ATOM 0 HB3 TRP B 711 -16.679 29.616 36.414 1.00 41.75 H new ATOM 0 HD1 TRP B 711 -17.573 26.862 36.377 1.00 52.18 H new ATOM 0 HE1 TRP B 711 -18.395 25.521 38.221 1.00 61.60 H new ATOM 0 HE3 TRP B 711 -15.897 29.578 40.176 1.00 53.70 H new ATOM 0 HZ2 TRP B 711 -18.347 25.588 41.030 1.00 54.83 H new ATOM 0 HZ3 TRP B 711 -16.374 28.888 42.372 1.00 50.59 H new ATOM 0 HH2 TRP B 711 -17.576 26.909 42.780 1.00 51.87 H new ATOM 1632 N GLY B 712 -13.752 27.503 38.068 1.00 30.41 N ATOM 1633 CA GLY B 712 -13.460 26.384 38.928 1.00 32.42 C ATOM 1634 C GLY B 712 -12.096 25.729 38.747 1.00 32.62 C ATOM 1635 O GLY B 712 -11.654 25.539 37.632 1.00 34.06 O ATOM 0 H GLY B 712 -13.516 28.270 38.377 1.00 30.41 H new ATOM 0 HA2 GLY B 712 -13.535 26.680 39.849 1.00 32.42 H new ATOM 0 HA3 GLY B 712 -14.142 25.709 38.790 1.00 32.42 H new ATOM 1636 N ARG B 713 -11.478 25.344 39.869 1.00 33.29 N ATOM 1637 CA ARG B 713 -10.227 24.559 39.859 1.00 32.91 C ATOM 1638 C ARG B 713 -9.105 25.285 39.070 1.00 23.62 C ATOM 1639 O ARG B 713 -8.397 24.671 38.330 1.00 27.91 O ATOM 1640 CB ARG B 713 -10.569 23.186 39.291 1.00 33.88 C ATOM 1641 CG ARG B 713 -9.665 22.088 39.809 1.00 41.61 C ATOM 1642 CD ARG B 713 -10.073 20.679 39.417 1.00 47.64 C ATOM 1643 NE ARG B 713 -11.293 20.144 40.067 1.00 54.66 N ATOM 1644 CZ ARG B 713 -12.545 20.179 39.581 1.00 62.66 C ATOM 1645 NH1 ARG B 713 -13.532 19.612 40.276 1.00 60.08 N ATOM 1646 NH2 ARG B 713 -12.846 20.790 38.422 1.00 72.16 N ATOM 0 H ARG B 713 -11.768 25.528 40.657 1.00 33.29 H new ATOM 0 HA ARG B 713 -9.870 24.458 40.755 1.00 32.91 H new ATOM 0 HB2 ARG B 713 -11.489 22.971 39.511 1.00 33.88 H new ATOM 0 HB3 ARG B 713 -10.509 23.218 38.323 1.00 33.88 H new ATOM 0 HG2 ARG B 713 -8.765 22.251 39.487 1.00 41.61 H new ATOM 0 HG3 ARG B 713 -9.634 22.143 40.777 1.00 41.61 H new ATOM 0 HD2 ARG B 713 -10.205 20.656 38.456 1.00 47.64 H new ATOM 0 HD3 ARG B 713 -9.335 20.082 39.616 1.00 47.64 H new ATOM 0 HE ARG B 713 -11.188 19.772 40.835 1.00 54.66 H new ATOM 0 HH11 ARG B 713 -13.364 19.229 41.027 1.00 60.08 H new ATOM 0 HH12 ARG B 713 -14.337 19.629 39.973 1.00 60.08 H new ATOM 0 HH21 ARG B 713 -12.227 21.175 37.966 1.00 72.16 H new ATOM 0 HH22 ARG B 713 -13.657 20.795 38.137 1.00 72.16 H new ATOM 1647 N LEU B 714 -9.013 26.598 39.192 1.00 23.02 N ATOM 1648 CA LEU B 714 -8.090 27.408 38.437 1.00 22.99 C ATOM 1649 C LEU B 714 -6.683 27.653 39.043 1.00 27.01 C ATOM 1650 O LEU B 714 -6.515 27.836 40.252 1.00 25.86 O ATOM 1651 CB LEU B 714 -8.726 28.773 38.217 1.00 24.96 C ATOM 1652 CG LEU B 714 -9.990 28.771 37.374 1.00 27.03 C ATOM 1653 CD1 LEU B 714 -10.476 30.199 37.249 1.00 29.00 C ATOM 1654 CD2 LEU B 714 -9.781 28.155 35.973 1.00 24.62 C ATOM 0 H LEU B 714 -9.503 27.052 39.734 1.00 23.02 H new ATOM 0 HA LEU B 714 -7.932 26.892 37.631 1.00 22.99 H new ATOM 0 HB2 LEU B 714 -8.932 29.161 39.082 1.00 24.96 H new ATOM 0 HB3 LEU B 714 -8.074 29.353 37.794 1.00 24.96 H new ATOM 0 HG LEU B 714 -10.649 28.214 37.817 1.00 27.03 H new ATOM 0 HD11 LEU B 714 -11.284 30.220 36.713 1.00 29.00 H new ATOM 0 HD12 LEU B 714 -10.664 30.555 38.131 1.00 29.00 H new ATOM 0 HD13 LEU B 714 -9.791 30.738 36.822 1.00 29.00 H new ATOM 0 HD21 LEU B 714 -10.616 28.180 35.481 1.00 24.62 H new ATOM 0 HD22 LEU B 714 -9.108 28.663 35.493 1.00 24.62 H new ATOM 0 HD23 LEU B 714 -9.487 27.235 36.064 1.00 24.62 H new ATOM 1655 N PHE B 715 -5.685 27.688 38.165 1.00 29.18 N ATOM 1656 CA PHE B 715 -4.309 28.054 38.511 1.00 27.22 C ATOM 1657 C PHE B 715 -4.076 29.384 37.924 1.00 28.34 C ATOM 1658 O PHE B 715 -4.369 29.563 36.746 1.00 28.10 O ATOM 1659 CB PHE B 715 -3.371 27.040 37.929 1.00 28.01 C ATOM 1660 CG PHE B 715 -3.447 25.684 38.580 1.00 27.30 C ATOM 1661 CD1 PHE B 715 -4.332 24.754 38.144 1.00 28.08 C ATOM 1662 CD2 PHE B 715 -2.541 25.316 39.575 1.00 30.97 C ATOM 1663 CE1 PHE B 715 -4.403 23.511 38.718 1.00 30.76 C ATOM 1664 CE2 PHE B 715 -2.579 24.066 40.136 1.00 27.08 C ATOM 1665 CZ PHE B 715 -3.518 23.166 39.726 1.00 30.32 C ATOM 0 H PHE B 715 -5.788 27.496 37.333 1.00 29.18 H new ATOM 0 HA PHE B 715 -4.164 28.075 39.470 1.00 27.22 H new ATOM 0 HB2 PHE B 715 -3.561 26.944 36.983 1.00 28.01 H new ATOM 0 HB3 PHE B 715 -2.463 27.373 38.004 1.00 28.01 H new ATOM 0 HD1 PHE B 715 -4.903 24.964 37.441 1.00 28.08 H new ATOM 0 HD2 PHE B 715 -1.902 25.928 39.862 1.00 30.97 H new ATOM 0 HE1 PHE B 715 -5.044 22.901 38.431 1.00 30.76 H new ATOM 0 HE2 PHE B 715 -1.966 23.832 40.795 1.00 27.08 H new ATOM 0 HZ PHE B 715 -3.564 22.325 40.121 1.00 30.32 H new ATOM 1666 N CYS B 716 -3.612 30.340 38.746 1.00 27.42 N ATOM 1667 CA ACYS B 716 -3.369 31.682 38.259 0.64 31.46 C ATOM 1668 CA BCYS B 716 -3.340 31.717 38.326 0.36 31.01 C ATOM 1669 C CYS B 716 -1.915 31.836 37.823 1.00 28.23 C ATOM 1670 O CYS B 716 -1.028 31.261 38.412 1.00 32.44 O ATOM 1671 CB ACYS B 716 -3.763 32.709 39.324 0.64 36.69 C ATOM 1672 CB BCYS B 716 -3.535 32.712 39.497 0.36 34.74 C ATOM 1673 SG ACYS B 716 -5.498 32.519 39.807 0.64 39.77 S ATOM 1674 SG BCYS B 716 -2.202 32.822 40.745 0.36 39.58 S ATOM 0 H ACYS B 716 -3.437 30.221 39.580 0.64 27.42 H new ATOM 0 H BCYS B 716 -3.445 30.198 39.578 0.36 27.42 H new ATOM 0 HA ACYS B 716 -3.921 31.844 37.478 0.64 31.01 H new ATOM 0 HA BCYS B 716 -3.966 31.935 37.618 0.36 31.01 H new ATOM 0 HB2ACYS B 716 -3.195 32.605 40.103 0.64 34.74 H new ATOM 0 HB2BCYS B 716 -3.665 33.596 39.120 0.36 34.74 H new ATOM 0 HB3ACYS B 716 -3.616 33.605 38.983 0.64 34.74 H new ATOM 0 HB3BCYS B 716 -4.356 32.476 39.956 0.36 34.74 H new ATOM 0 HG ACYS B 716 -6.198 32.637 38.840 0.64 39.58 H new ATOM 0 HG BCYS B 716 -1.223 32.261 40.336 0.36 39.58 H new ATOM 1675 N CYS B 717 -1.708 32.583 36.749 1.00 28.08 N ATOM 1676 CA CYS B 717 -0.349 32.912 36.328 1.00 29.90 C ATOM 1677 C CYS B 717 0.164 34.028 37.273 1.00 36.56 C ATOM 1678 O CYS B 717 -0.607 34.966 37.657 1.00 37.59 O ATOM 1679 CB CYS B 717 -0.298 33.346 34.867 1.00 28.33 C ATOM 1680 SG CYS B 717 1.344 33.847 34.214 1.00 26.62 S ATOM 0 H CYS B 717 -2.331 32.908 36.253 1.00 28.08 H new ATOM 0 HA CYS B 717 0.220 32.129 36.388 1.00 29.90 H new ATOM 0 HB2 CYS B 717 -0.631 32.616 34.322 1.00 28.33 H new ATOM 0 HB3 CYS B 717 -0.910 34.089 34.750 1.00 28.33 H new ATOM 1681 N ASP B 718 1.452 33.962 37.606 1.00 37.91 N ATOM 1682 CA ASP B 718 2.054 34.970 38.489 1.00 38.73 C ATOM 1683 C ASP B 718 2.564 36.167 37.752 1.00 38.36 C ATOM 1684 O ASP B 718 2.875 37.158 38.396 1.00 44.41 O ATOM 1685 CB ASP B 718 3.146 34.336 39.361 1.00 41.66 C ATOM 1686 CG ASP B 718 2.556 33.397 40.407 1.00 50.33 C ATOM 1687 OD1 ASP B 718 1.628 33.860 41.096 1.00 56.08 O ATOM 1688 OD2 ASP B 718 2.977 32.225 40.551 1.00 44.83 O ATOM 0 H ASP B 718 1.992 33.350 37.336 1.00 37.91 H new ATOM 0 HA ASP B 718 1.347 35.298 39.067 1.00 38.73 H new ATOM 0 HB2 ASP B 718 3.766 33.846 38.799 1.00 41.66 H new ATOM 0 HB3 ASP B 718 3.654 35.034 39.802 1.00 41.66 H new ATOM 1689 N THR B 719 2.621 36.139 36.421 1.00 36.07 N ATOM 1690 CA THR B 719 3.162 37.272 35.666 1.00 32.33 C ATOM 1691 C THR B 719 2.211 37.924 34.737 1.00 32.25 C ATOM 1692 O THR B 719 2.592 38.862 34.057 1.00 34.37 O ATOM 1693 CB THR B 719 4.484 36.871 34.940 1.00 34.14 C ATOM 1694 OG1 THR B 719 4.338 35.601 34.294 1.00 31.93 O ATOM 1695 CG2 THR B 719 5.625 36.750 35.983 1.00 31.30 C ATOM 0 H THR B 719 2.354 35.479 35.938 1.00 36.07 H new ATOM 0 HA THR B 719 3.352 37.952 36.331 1.00 32.33 H new ATOM 0 HB THR B 719 4.689 37.551 34.280 1.00 34.14 H new ATOM 0 HG1 THR B 719 3.942 35.704 33.560 1.00 31.93 H new ATOM 0 HG21 THR B 719 6.448 36.501 35.535 1.00 31.30 H new ATOM 0 HG22 THR B 719 5.746 37.602 36.431 1.00 31.30 H new ATOM 0 HG23 THR B 719 5.395 36.071 36.637 1.00 31.30 H new ATOM 1696 N CYS B 720 0.979 37.395 34.657 1.00 36.22 N ATOM 1697 CA CYS B 720 -0.075 38.016 33.910 1.00 32.12 C ATOM 1698 C CYS B 720 -1.442 37.684 34.544 1.00 33.51 C ATOM 1699 O CYS B 720 -1.505 36.851 35.459 1.00 30.70 O ATOM 1700 CB CYS B 720 0.006 37.599 32.448 1.00 32.84 C ATOM 1701 SG CYS B 720 -0.802 36.013 32.056 1.00 28.60 S ATOM 0 H CYS B 720 0.750 36.662 35.044 1.00 36.22 H new ATOM 0 HA CYS B 720 0.027 38.980 33.940 1.00 32.12 H new ATOM 0 HB2 CYS B 720 -0.396 38.295 31.904 1.00 32.84 H new ATOM 0 HB3 CYS B 720 0.940 37.543 32.193 1.00 32.84 H new ATOM 1702 N PRO B 721 -2.527 38.325 34.056 1.00 33.42 N ATOM 1703 CA PRO B 721 -3.845 38.075 34.665 1.00 36.04 C ATOM 1704 C PRO B 721 -4.526 36.727 34.336 1.00 36.77 C ATOM 1705 O PRO B 721 -5.534 36.406 34.934 1.00 30.34 O ATOM 1706 CB PRO B 721 -4.730 39.201 34.126 1.00 37.80 C ATOM 1707 CG PRO B 721 -3.856 40.088 33.268 1.00 40.93 C ATOM 1708 CD PRO B 721 -2.596 39.327 32.969 1.00 38.29 C ATOM 0 HA PRO B 721 -3.723 38.042 35.627 1.00 36.04 H new ATOM 0 HB2 PRO B 721 -5.465 38.839 33.606 1.00 37.80 H new ATOM 0 HB3 PRO B 721 -5.120 39.708 34.855 1.00 37.80 H new ATOM 0 HG2 PRO B 721 -4.314 40.326 32.447 1.00 40.93 H new ATOM 0 HG3 PRO B 721 -3.653 40.916 33.730 1.00 40.93 H new ATOM 0 HD2 PRO B 721 -2.633 38.905 32.097 1.00 38.29 H new ATOM 0 HD3 PRO B 721 -1.820 39.908 32.970 1.00 38.29 H new ATOM 1709 N ARG B 722 -3.955 35.916 33.451 1.00 31.52 N ATOM 1710 CA ARG B 722 -4.653 34.709 33.008 1.00 29.88 C ATOM 1711 C ARG B 722 -4.759 33.620 34.070 1.00 26.42 C ATOM 1712 O ARG B 722 -3.953 33.504 34.994 1.00 29.48 O ATOM 1713 CB ARG B 722 -3.955 34.167 31.781 1.00 27.84 C ATOM 1714 CG ARG B 722 -3.984 35.108 30.640 1.00 28.45 C ATOM 1715 CD ARG B 722 -3.211 34.573 29.483 1.00 26.93 C ATOM 1716 NE ARG B 722 -3.272 35.420 28.337 1.00 25.49 N ATOM 1717 CZ ARG B 722 -2.413 36.388 28.037 1.00 28.23 C ATOM 1718 NH1 ARG B 722 -1.387 36.678 28.820 1.00 31.10 N ATOM 1719 NH2 ARG B 722 -2.564 37.030 26.885 1.00 27.80 N ATOM 0 H ARG B 722 -3.180 36.041 33.100 1.00 31.52 H new ATOM 0 HA ARG B 722 -5.566 34.969 32.811 1.00 29.88 H new ATOM 0 HB2 ARG B 722 -3.033 33.963 32.003 1.00 27.84 H new ATOM 0 HB3 ARG B 722 -4.375 33.333 31.517 1.00 27.84 H new ATOM 0 HG2 ARG B 722 -4.903 35.268 30.373 1.00 28.45 H new ATOM 0 HG3 ARG B 722 -3.614 35.963 30.912 1.00 28.45 H new ATOM 0 HD2 ARG B 722 -2.284 34.457 29.745 1.00 26.93 H new ATOM 0 HD3 ARG B 722 -3.552 33.695 29.250 1.00 26.93 H new ATOM 0 HE ARG B 722 -3.924 35.293 27.791 1.00 25.49 H new ATOM 0 HH11 ARG B 722 -1.262 36.235 29.546 1.00 31.10 H new ATOM 0 HH12 ARG B 722 -0.845 37.310 28.603 1.00 31.10 H new ATOM 0 HH21 ARG B 722 -3.206 36.816 26.354 1.00 27.80 H new ATOM 0 HH22 ARG B 722 -2.020 37.660 26.669 1.00 27.80 H new ATOM 1720 N SER B 723 -5.786 32.818 33.940 1.00 24.59 N ATOM 1721 CA SER B 723 -5.989 31.669 34.772 1.00 24.91 C ATOM 1722 C SER B 723 -6.274 30.450 33.876 1.00 24.25 C ATOM 1723 O SER B 723 -6.706 30.612 32.697 1.00 27.10 O ATOM 1724 CB SER B 723 -7.152 31.904 35.779 1.00 31.11 C ATOM 1725 OG SER B 723 -6.845 33.026 36.613 1.00 34.73 O ATOM 0 H SER B 723 -6.400 32.931 33.349 1.00 24.59 H new ATOM 0 HA SER B 723 -5.188 31.506 35.294 1.00 24.91 H new ATOM 0 HB2 SER B 723 -7.980 32.063 35.300 1.00 31.11 H new ATOM 0 HB3 SER B 723 -7.286 31.112 36.323 1.00 31.11 H new ATOM 0 HG SER B 723 -7.556 33.344 36.928 1.00 34.73 H new ATOM 1726 N PHE B 724 -5.992 29.253 34.411 1.00 22.23 N ATOM 1727 CA PHE B 724 -6.114 28.015 33.616 1.00 21.73 C ATOM 1728 C PHE B 724 -6.490 26.872 34.437 1.00 21.71 C ATOM 1729 O PHE B 724 -6.048 26.768 35.579 1.00 23.17 O ATOM 1730 CB PHE B 724 -4.726 27.663 33.001 1.00 20.91 C ATOM 1731 CG PHE B 724 -4.153 28.724 32.115 1.00 19.70 C ATOM 1732 CD1 PHE B 724 -3.348 29.748 32.612 1.00 20.07 C ATOM 1733 CD2 PHE B 724 -4.393 28.669 30.717 1.00 21.05 C ATOM 1734 CE1 PHE B 724 -2.839 30.733 31.742 1.00 19.38 C ATOM 1735 CE2 PHE B 724 -3.883 29.626 29.843 1.00 18.74 C ATOM 1736 CZ PHE B 724 -3.091 30.657 30.371 1.00 19.18 C ATOM 0 H PHE B 724 -5.732 29.135 35.222 1.00 22.23 H new ATOM 0 HA PHE B 724 -6.794 28.178 32.944 1.00 21.73 H new ATOM 0 HB2 PHE B 724 -4.101 27.487 33.722 1.00 20.91 H new ATOM 0 HB3 PHE B 724 -4.810 26.842 32.491 1.00 20.91 H new ATOM 0 HD1 PHE B 724 -3.147 29.781 33.519 1.00 20.07 H new ATOM 0 HD2 PHE B 724 -4.906 27.973 30.374 1.00 21.05 H new ATOM 0 HE1 PHE B 724 -2.334 31.436 32.082 1.00 19.38 H new ATOM 0 HE2 PHE B 724 -4.063 29.583 28.932 1.00 18.74 H new ATOM 0 HZ PHE B 724 -2.730 31.297 29.801 1.00 19.18 H new ATOM 1737 N HIS B 725 -7.264 25.951 33.868 1.00 22.34 N ATOM 1738 CA HIS B 725 -7.331 24.616 34.350 1.00 21.55 C ATOM 1739 C HIS B 725 -6.020 23.871 34.107 1.00 24.47 C ATOM 1740 O HIS B 725 -5.296 24.122 33.100 1.00 22.08 O ATOM 1741 CB HIS B 725 -8.449 23.819 33.689 1.00 22.33 C ATOM 1742 CG HIS B 725 -9.804 24.336 34.019 1.00 27.58 C ATOM 1743 ND1 HIS B 725 -10.647 24.863 33.082 1.00 30.89 N ATOM 1744 CD2 HIS B 725 -10.405 24.535 35.220 1.00 28.79 C ATOM 1745 CE1 HIS B 725 -11.738 25.319 33.668 1.00 30.84 C ATOM 1746 NE2 HIS B 725 -11.610 25.134 34.969 1.00 31.15 N ATOM 0 H HIS B 725 -7.763 26.104 33.185 1.00 22.34 H new ATOM 0 HA HIS B 725 -7.506 24.689 35.301 1.00 21.55 H new ATOM 0 HB2 HIS B 725 -8.327 23.837 32.727 1.00 22.33 H new ATOM 0 HB3 HIS B 725 -8.386 22.892 33.966 1.00 22.33 H new ATOM 0 HD2 HIS B 725 -10.063 24.308 36.054 1.00 28.79 H new ATOM 0 HE1 HIS B 725 -12.469 25.703 33.240 1.00 30.84 H new ATOM 0 HE2 HIS B 725 -12.191 25.355 35.564 1.00 31.15 H new ATOM 1747 N GLU B 726 -5.796 22.885 34.966 1.00 26.10 N ATOM 1748 CA GLU B 726 -4.554 22.127 34.941 1.00 28.45 C ATOM 1749 C GLU B 726 -4.218 21.556 33.549 1.00 25.33 C ATOM 1750 O GLU B 726 -3.072 21.647 33.099 1.00 23.48 O ATOM 1751 CB GLU B 726 -4.609 20.979 35.958 1.00 30.10 C ATOM 1752 CG GLU B 726 -3.315 20.211 36.051 1.00 31.83 C ATOM 1753 CD GLU B 726 -3.280 19.220 37.236 1.00 39.04 C ATOM 1754 OE1 GLU B 726 -4.222 19.203 38.062 1.00 39.81 O ATOM 1755 OE2 GLU B 726 -2.319 18.432 37.320 1.00 38.07 O ATOM 0 H GLU B 726 -6.353 22.639 35.573 1.00 26.10 H new ATOM 0 HA GLU B 726 -3.851 22.753 35.175 1.00 28.45 H new ATOM 0 HB2 GLU B 726 -4.830 21.338 36.832 1.00 30.10 H new ATOM 0 HB3 GLU B 726 -5.323 20.370 35.713 1.00 30.10 H new ATOM 0 HG2 GLU B 726 -3.175 19.723 35.224 1.00 31.83 H new ATOM 0 HG3 GLU B 726 -2.579 20.837 36.139 1.00 31.83 H new ATOM 1756 N HIS B 727 -5.199 20.928 32.940 1.00 25.36 N ATOM 1757 CA HIS B 727 -5.050 20.271 31.699 1.00 26.10 C ATOM 1758 C HIS B 727 -5.616 21.034 30.501 1.00 23.34 C ATOM 1759 O HIS B 727 -5.560 20.513 29.383 1.00 23.88 O ATOM 1760 CB HIS B 727 -5.608 18.843 31.771 1.00 29.19 C ATOM 1761 CG HIS B 727 -5.020 18.027 32.886 1.00 37.59 C ATOM 1762 ND1 HIS B 727 -3.690 17.654 32.922 1.00 39.62 N ATOM 1763 CD2 HIS B 727 -5.584 17.498 33.998 1.00 37.46 C ATOM 1764 CE1 HIS B 727 -3.461 16.943 34.012 1.00 41.73 C ATOM 1765 NE2 HIS B 727 -4.598 16.820 34.673 1.00 40.83 N ATOM 0 H HIS B 727 -5.995 20.879 33.262 1.00 25.36 H new ATOM 0 HA HIS B 727 -4.094 20.232 31.537 1.00 26.10 H new ATOM 0 HB2 HIS B 727 -6.571 18.885 31.883 1.00 29.19 H new ATOM 0 HB3 HIS B 727 -5.440 18.394 30.928 1.00 29.19 H new ATOM 0 HD2 HIS B 727 -6.474 17.579 34.257 1.00 37.46 H new ATOM 0 HE1 HIS B 727 -2.640 16.590 34.270 1.00 41.73 H new ATOM 0 HE2 HIS B 727 -4.704 16.386 35.408 1.00 40.83 H new ATOM 1766 N CYS B 728 -6.045 22.280 30.691 1.00 20.48 N ATOM 1767 CA CYS B 728 -6.318 23.221 29.607 1.00 19.41 C ATOM 1768 C CYS B 728 -5.036 23.924 29.173 1.00 19.27 C ATOM 1769 O CYS B 728 -4.781 24.089 27.960 1.00 16.61 O ATOM 1770 CB CYS B 728 -7.435 24.232 29.982 1.00 20.93 C ATOM 1771 SG CYS B 728 -9.119 23.513 29.906 1.00 23.32 S ATOM 0 H CYS B 728 -6.189 22.609 31.472 1.00 20.48 H new ATOM 0 HA CYS B 728 -6.651 22.714 28.850 1.00 19.41 H new ATOM 0 HB2 CYS B 728 -7.273 24.566 30.878 1.00 20.93 H new ATOM 0 HB3 CYS B 728 -7.388 24.993 29.383 1.00 20.93 H new ATOM 1772 N HIS B 729 -4.186 24.214 30.150 1.00 18.47 N ATOM 1773 CA HIS B 729 -2.897 24.794 29.843 1.00 18.92 C ATOM 1774 C HIS B 729 -2.116 23.684 29.123 1.00 18.43 C ATOM 1775 O HIS B 729 -2.347 22.485 29.394 1.00 18.43 O ATOM 1776 CB HIS B 729 -2.171 25.227 31.113 1.00 19.36 C ATOM 1777 CG HIS B 729 -0.982 26.088 30.853 1.00 20.28 C ATOM 1778 ND1 HIS B 729 0.291 25.584 30.682 1.00 22.44 N ATOM 1779 CD2 HIS B 729 -0.883 27.422 30.688 1.00 21.32 C ATOM 1780 CE1 HIS B 729 1.128 26.572 30.451 1.00 21.34 C ATOM 1781 NE2 HIS B 729 0.439 27.697 30.438 1.00 23.39 N ATOM 0 H HIS B 729 -4.338 24.083 30.986 1.00 18.47 H new ATOM 0 HA HIS B 729 -2.985 25.591 29.297 1.00 18.92 H new ATOM 0 HB2 HIS B 729 -2.791 25.707 31.684 1.00 19.36 H new ATOM 0 HB3 HIS B 729 -1.889 24.438 31.601 1.00 19.36 H new ATOM 0 HD1 HIS B 729 0.504 24.752 30.721 1.00 22.44 H new ATOM 0 HD2 HIS B 729 -1.578 28.039 30.735 1.00 21.32 H new ATOM 0 HE1 HIS B 729 2.045 26.492 30.320 1.00 21.34 H new ATOM 1782 N ILE B 730 -1.192 24.090 28.267 1.00 17.80 N ATOM 1783 CA ILE B 730 -0.298 23.194 27.550 1.00 20.20 C ATOM 1784 C ILE B 730 1.103 23.804 27.656 1.00 21.95 C ATOM 1785 O ILE B 730 1.281 24.993 27.314 1.00 21.56 O ATOM 1786 CB ILE B 730 -0.666 22.965 26.068 1.00 20.24 C ATOM 1787 CG1 ILE B 730 -2.123 22.608 25.910 1.00 22.38 C ATOM 1788 CG2 ILE B 730 0.206 21.828 25.495 1.00 22.21 C ATOM 1789 CD1 ILE B 730 -2.584 22.446 24.497 1.00 21.93 C ATOM 0 H ILE B 730 -1.063 24.920 28.081 1.00 17.80 H new ATOM 0 HA ILE B 730 -0.361 22.314 27.954 1.00 20.20 H new ATOM 0 HB ILE B 730 -0.503 23.790 25.584 1.00 20.24 H new ATOM 0 HG12 ILE B 730 -2.293 21.782 26.388 1.00 22.38 H new ATOM 0 HG13 ILE B 730 -2.659 23.297 26.334 1.00 22.38 H new ATOM 0 HG21 ILE B 730 -0.023 21.682 24.564 1.00 22.21 H new ATOM 0 HG22 ILE B 730 1.142 22.072 25.563 1.00 22.21 H new ATOM 0 HG23 ILE B 730 0.048 21.014 25.998 1.00 22.21 H new ATOM 0 HD11 ILE B 730 -3.527 22.218 24.488 1.00 21.93 H new ATOM 0 HD12 ILE B 730 -2.448 23.277 24.015 1.00 21.93 H new ATOM 0 HD13 ILE B 730 -2.077 21.738 24.070 1.00 21.93 H new ATOM 1790 N PRO B 731 2.085 23.037 28.153 1.00 23.18 N ATOM 1791 CA PRO B 731 1.889 21.755 28.871 1.00 24.27 C ATOM 1792 C PRO B 731 1.073 21.929 30.156 1.00 23.31 C ATOM 1793 O PRO B 731 0.896 23.062 30.633 1.00 25.69 O ATOM 1794 CB PRO B 731 3.311 21.328 29.275 1.00 26.34 C ATOM 1795 CG PRO B 731 4.234 22.488 28.949 1.00 27.32 C ATOM 1796 CD PRO B 731 3.458 23.575 28.268 1.00 24.47 C ATOM 0 HA PRO B 731 1.414 21.120 28.312 1.00 24.27 H new ATOM 0 HB2 PRO B 731 3.349 21.115 30.220 1.00 26.34 H new ATOM 0 HB3 PRO B 731 3.579 20.530 28.793 1.00 26.34 H new ATOM 0 HG2 PRO B 731 4.639 22.828 29.762 1.00 27.32 H new ATOM 0 HG3 PRO B 731 4.957 22.187 28.376 1.00 27.32 H new ATOM 0 HD2 PRO B 731 3.473 24.396 28.784 1.00 24.47 H new ATOM 0 HD3 PRO B 731 3.830 23.781 27.396 1.00 24.47 H new ATOM 1797 N SER B 732 0.593 20.829 30.693 1.00 22.68 N ATOM 1798 CA SER B 732 -0.168 20.848 31.951 1.00 27.26 C ATOM 1799 C SER B 732 0.519 21.660 33.031 1.00 29.13 C ATOM 1800 O SER B 732 1.740 21.734 33.091 1.00 28.93 O ATOM 1801 CB SER B 732 -0.337 19.482 32.484 1.00 27.80 C ATOM 1802 OG SER B 732 -1.100 18.743 31.611 1.00 37.14 O ATOM 0 H SER B 732 0.691 20.046 30.350 1.00 22.68 H new ATOM 0 HA SER B 732 -1.023 21.250 31.733 1.00 27.26 H new ATOM 0 HB2 SER B 732 0.529 19.063 32.607 1.00 27.80 H new ATOM 0 HB3 SER B 732 -0.763 19.514 33.355 1.00 27.80 H new ATOM 0 HG SER B 732 -1.789 18.467 32.005 1.00 37.14 H new ATOM 1803 N VAL B 733 -0.275 22.296 33.872 1.00 27.74 N ATOM 1804 CA VAL B 733 0.256 23.249 34.833 1.00 27.58 C ATOM 1805 C VAL B 733 1.117 22.421 35.779 1.00 28.13 C ATOM 1806 O VAL B 733 0.718 21.314 36.091 1.00 27.37 O ATOM 1807 CB VAL B 733 -0.861 23.910 35.658 1.00 25.60 C ATOM 1808 CG1 VAL B 733 -0.296 24.762 36.814 1.00 25.95 C ATOM 1809 CG2 VAL B 733 -1.731 24.791 34.772 1.00 24.30 C ATOM 0 H VAL B 733 -1.128 22.191 33.905 1.00 27.74 H new ATOM 0 HA VAL B 733 0.740 23.956 34.377 1.00 27.58 H new ATOM 0 HB VAL B 733 -1.394 23.193 36.036 1.00 25.60 H new ATOM 0 HG11 VAL B 733 -1.028 25.161 37.310 1.00 25.95 H new ATOM 0 HG12 VAL B 733 0.226 24.198 37.407 1.00 25.95 H new ATOM 0 HG13 VAL B 733 0.270 25.463 36.453 1.00 25.95 H new ATOM 0 HG21 VAL B 733 -2.429 25.199 35.307 1.00 24.30 H new ATOM 0 HG22 VAL B 733 -1.185 25.485 34.369 1.00 24.30 H new ATOM 0 HG23 VAL B 733 -2.134 24.251 34.074 1.00 24.30 H new ATOM 1810 N GLU B 734 2.308 22.920 36.145 1.00 33.45 N ATOM 1811 CA GLU B 734 3.148 22.302 37.226 1.00 43.95 C ATOM 1812 C GLU B 734 2.577 22.857 38.540 1.00 42.38 C ATOM 1813 O GLU B 734 2.814 24.028 38.890 1.00 44.27 O ATOM 1814 CB GLU B 734 4.627 22.696 37.122 1.00 49.79 C ATOM 1815 CG GLU B 734 5.321 22.283 35.838 1.00 58.52 C ATOM 1816 CD GLU B 734 5.062 23.215 34.679 1.00 68.27 C ATOM 1817 OE1 GLU B 734 4.786 24.409 34.928 1.00 83.99 O ATOM 1818 OE2 GLU B 734 5.130 22.756 33.512 1.00 85.85 O ATOM 0 H GLU B 734 2.660 23.618 35.786 1.00 33.45 H new ATOM 0 HA GLU B 734 3.117 21.335 37.162 1.00 43.95 H new ATOM 0 HB2 GLU B 734 4.697 23.659 37.214 1.00 49.79 H new ATOM 0 HB3 GLU B 734 5.104 22.304 37.870 1.00 49.79 H new ATOM 0 HG2 GLU B 734 6.277 22.236 35.997 1.00 58.52 H new ATOM 0 HG3 GLU B 734 5.030 21.390 35.596 1.00 58.52 H new ATOM 1819 N ALA B 735 1.746 22.042 39.184 1.00 44.88 N ATOM 1820 CA ALA B 735 1.027 22.369 40.431 1.00 51.24 C ATOM 1821 C ALA B 735 1.970 22.645 41.630 1.00 57.48 C ATOM 1822 O ALA B 735 1.664 23.465 42.512 1.00 63.64 O ATOM 1823 CB ALA B 735 0.050 21.235 40.772 1.00 47.84 C ATOM 0 H ALA B 735 1.574 21.249 38.900 1.00 44.88 H new ATOM 0 HA ALA B 735 0.543 23.194 40.272 1.00 51.24 H new ATOM 0 HB1 ALA B 735 -0.422 21.450 41.591 1.00 47.84 H new ATOM 0 HB2 ALA B 735 -0.588 21.129 40.049 1.00 47.84 H new ATOM 0 HB3 ALA B 735 0.543 20.408 40.891 1.00 47.84 H new ATOM 1824 N ASN B 736 3.098 21.942 41.639 1.00 55.75 N ATOM 1825 CA ASN B 736 4.196 22.163 42.586 1.00 68.40 C ATOM 1826 C ASN B 736 4.863 23.560 42.557 1.00 70.09 C ATOM 1827 O ASN B 736 5.443 23.959 43.565 1.00 75.25 O ATOM 1828 CB ASN B 736 5.296 21.140 42.288 1.00 73.02 C ATOM 1829 CG ASN B 736 5.831 21.281 40.860 1.00 77.36 C ATOM 1830 OD1 ASN B 736 5.073 21.149 39.882 1.00 69.79 O ATOM 1831 ND2 ASN B 736 7.116 21.609 40.734 1.00 85.45 N ATOM 0 H ASN B 736 3.253 21.306 41.081 1.00 55.75 H new ATOM 0 HA ASN B 736 3.788 22.078 43.462 1.00 68.40 H new ATOM 0 HB2 ASN B 736 6.024 21.254 42.919 1.00 73.02 H new ATOM 0 HB3 ASN B 736 4.948 20.244 42.416 1.00 73.02 H new ATOM 0 HD21 ASN B 736 7.452 21.739 39.953 1.00 85.45 H new ATOM 0 HD22 ASN B 736 7.609 21.691 41.434 1.00 85.45 H new ATOM 1832 N LYS B 737 4.814 24.275 41.420 1.00 70.22 N ATOM 1833 CA LYS B 737 5.690 25.449 41.180 1.00 72.37 C ATOM 1834 C LYS B 737 5.097 26.754 41.667 1.00 70.91 C ATOM 1835 O LYS B 737 3.888 26.925 41.633 1.00 63.25 O ATOM 1836 CB LYS B 737 6.062 25.596 39.693 1.00 72.27 C ATOM 1837 CG LYS B 737 7.413 24.987 39.345 1.00 75.46 C ATOM 1838 CD LYS B 737 7.956 25.498 38.027 1.00 77.92 C ATOM 1839 CE LYS B 737 8.140 27.006 38.037 1.00 81.04 C ATOM 1840 NZ LYS B 737 9.348 27.419 37.282 1.00 82.60 N ATOM 0 H LYS B 737 4.279 24.098 40.770 1.00 70.22 H new ATOM 0 HA LYS B 737 6.489 25.269 41.700 1.00 72.37 H new ATOM 0 HB2 LYS B 737 5.376 25.175 39.152 1.00 72.27 H new ATOM 0 HB3 LYS B 737 6.069 26.538 39.460 1.00 72.27 H new ATOM 0 HG2 LYS B 737 8.046 25.187 40.052 1.00 75.46 H new ATOM 0 HG3 LYS B 737 7.329 24.022 39.304 1.00 75.46 H new ATOM 0 HD2 LYS B 737 8.806 25.070 37.840 1.00 77.92 H new ATOM 0 HD3 LYS B 737 7.351 25.251 37.311 1.00 77.92 H new ATOM 0 HE2 LYS B 737 7.357 27.430 37.652 1.00 81.04 H new ATOM 0 HE3 LYS B 737 8.209 27.317 38.953 1.00 81.04 H new ATOM 0 HZ1 LYS B 737 9.426 28.305 37.308 1.00 82.60 H new ATOM 0 HZ2 LYS B 737 10.069 27.047 37.649 1.00 82.60 H new ATOM 0 HZ3 LYS B 737 9.275 27.152 36.436 1.00 82.60 H new ATOM 1841 N ASN B 738 5.968 27.671 42.102 1.00 74.06 N ATOM 1842 CA ASN B 738 5.544 28.930 42.724 1.00 75.69 C ATOM 1843 C ASN B 738 6.762 29.861 42.937 1.00 71.03 C ATOM 1844 O ASN B 738 7.512 29.642 43.869 1.00 76.91 O ATOM 1845 CB ASN B 738 4.800 28.665 44.059 1.00 79.94 C ATOM 1846 CG ASN B 738 3.732 29.707 44.350 1.00 84.63 C ATOM 1847 OD1 ASN B 738 3.953 30.904 44.172 1.00100.47 O ATOM 1848 ND2 ASN B 738 2.565 29.257 44.766 1.00 84.46 N ATOM 0 H ASN B 738 6.821 27.580 42.044 1.00 74.06 H new ATOM 0 HA ASN B 738 4.923 29.375 42.126 1.00 75.69 H new ATOM 0 HB2 ASN B 738 4.390 27.786 44.028 1.00 79.94 H new ATOM 0 HB3 ASN B 738 5.442 28.653 44.786 1.00 79.94 H new ATOM 0 HD21 ASN B 738 1.923 29.807 44.924 1.00 84.46 H new ATOM 0 HD22 ASN B 738 2.445 28.413 44.880 1.00 84.46 H new ATOM 1849 N PRO B 739 6.969 30.890 42.113 1.00 56.72 N ATOM 1850 CA PRO B 739 6.009 31.349 41.120 1.00 52.99 C ATOM 1851 C PRO B 739 5.923 30.441 39.871 1.00 44.87 C ATOM 1852 O PRO B 739 6.860 29.710 39.543 1.00 45.87 O ATOM 1853 CB PRO B 739 6.511 32.763 40.774 1.00 51.38 C ATOM 1854 CG PRO B 739 7.970 32.721 41.017 1.00 55.28 C ATOM 1855 CD PRO B 739 8.171 31.741 42.149 1.00 55.56 C ATOM 0 HA PRO B 739 5.101 31.334 41.462 1.00 52.99 H new ATOM 0 HB2 PRO B 739 6.315 32.989 39.851 1.00 51.38 H new ATOM 0 HB3 PRO B 739 6.082 33.434 41.328 1.00 51.38 H new ATOM 0 HG2 PRO B 739 8.447 32.437 40.222 1.00 55.28 H new ATOM 0 HG3 PRO B 739 8.309 33.599 41.252 1.00 55.28 H new ATOM 0 HD2 PRO B 739 8.979 31.218 42.025 1.00 55.56 H new ATOM 0 HD3 PRO B 739 8.256 32.197 43.001 1.00 55.56 H new ATOM 1856 N TRP B 740 4.749 30.456 39.247 1.00 39.95 N ATOM 1857 CA TRP B 740 4.478 29.736 37.990 1.00 32.62 C ATOM 1858 C TRP B 740 4.097 30.792 36.982 1.00 32.75 C ATOM 1859 O TRP B 740 3.276 31.676 37.282 1.00 34.84 O ATOM 1860 CB TRP B 740 3.340 28.746 38.183 1.00 33.10 C ATOM 1861 CG TRP B 740 2.952 28.062 36.937 1.00 29.13 C ATOM 1862 CD1 TRP B 740 3.598 27.023 36.352 1.00 33.08 C ATOM 1863 CD2 TRP B 740 1.819 28.367 36.110 1.00 25.90 C ATOM 1864 NE1 TRP B 740 2.963 26.668 35.191 1.00 32.92 N ATOM 1865 CE2 TRP B 740 1.852 27.474 35.022 1.00 30.56 C ATOM 1866 CE3 TRP B 740 0.755 29.285 36.206 1.00 27.89 C ATOM 1867 CZ2 TRP B 740 0.855 27.486 33.995 1.00 26.99 C ATOM 1868 CZ3 TRP B 740 -0.241 29.287 35.215 1.00 25.06 C ATOM 1869 CH2 TRP B 740 -0.160 28.391 34.118 1.00 26.52 C ATOM 0 H TRP B 740 4.070 30.892 39.543 1.00 39.95 H new ATOM 0 HA TRP B 740 5.250 29.228 37.695 1.00 32.62 H new ATOM 0 HB2 TRP B 740 3.603 28.084 38.841 1.00 33.10 H new ATOM 0 HB3 TRP B 740 2.570 29.213 38.543 1.00 33.10 H new ATOM 0 HD1 TRP B 740 4.361 26.612 36.690 1.00 33.08 H new ATOM 0 HE1 TRP B 740 3.215 26.045 34.654 1.00 32.92 H new ATOM 0 HE3 TRP B 740 0.712 29.883 36.917 1.00 27.89 H new ATOM 0 HZ2 TRP B 740 0.897 26.901 33.273 1.00 26.99 H new ATOM 0 HZ3 TRP B 740 -0.956 29.878 35.278 1.00 25.06 H new ATOM 0 HH2 TRP B 740 -0.819 28.421 33.462 1.00 26.52 H new ATOM 1870 N SER B 741 4.716 30.739 35.806 1.00 28.16 N ATOM 1871 CA SER B 741 4.333 31.565 34.670 1.00 27.78 C ATOM 1872 C SER B 741 3.749 30.678 33.571 1.00 26.53 C ATOM 1873 O SER B 741 4.319 29.623 33.271 1.00 25.61 O ATOM 1874 CB SER B 741 5.525 32.266 34.074 1.00 28.82 C ATOM 1875 OG SER B 741 5.875 33.396 34.834 1.00 34.22 O ATOM 0 H SER B 741 5.379 30.215 35.645 1.00 28.16 H new ATOM 0 HA SER B 741 3.690 32.217 34.990 1.00 27.78 H new ATOM 0 HB2 SER B 741 6.277 31.654 34.032 1.00 28.82 H new ATOM 0 HB3 SER B 741 5.326 32.533 33.163 1.00 28.82 H new ATOM 0 HG SER B 741 5.375 34.039 34.628 1.00 34.22 H new ATOM 1876 N CYS B 742 2.697 31.191 32.913 1.00 25.73 N ATOM 1877 CA CYS B 742 1.986 30.491 31.845 1.00 20.45 C ATOM 1878 C CYS B 742 2.743 30.621 30.532 1.00 22.44 C ATOM 1879 O CYS B 742 3.739 31.392 30.421 1.00 21.23 O ATOM 1880 CB CYS B 742 0.579 31.125 31.699 1.00 22.39 C ATOM 1881 SG CYS B 742 0.495 32.681 30.766 1.00 22.67 S ATOM 0 H CYS B 742 2.376 31.970 33.083 1.00 25.73 H new ATOM 0 HA CYS B 742 1.912 29.549 32.064 1.00 20.45 H new ATOM 0 HB2 CYS B 742 -0.003 30.479 31.269 1.00 22.39 H new ATOM 0 HB3 CYS B 742 0.221 31.282 32.587 1.00 22.39 H new ATOM 1882 N ILE B 743 2.172 29.976 29.507 1.00 21.79 N ATOM 1883 CA ILE B 743 2.793 29.789 28.257 1.00 21.58 C ATOM 1884 C ILE B 743 2.777 31.109 27.473 1.00 21.52 C ATOM 1885 O ILE B 743 3.730 31.411 26.772 1.00 19.83 O ATOM 1886 CB ILE B 743 2.265 28.628 27.460 1.00 22.09 C ATOM 1887 CG1 ILE B 743 3.131 28.408 26.185 1.00 22.39 C ATOM 1888 CG2 ILE B 743 0.820 28.776 26.992 1.00 21.68 C ATOM 1889 CD1 ILE B 743 3.049 27.004 25.638 1.00 22.70 C ATOM 0 H ILE B 743 1.384 29.634 29.552 1.00 21.79 H new ATOM 0 HA ILE B 743 3.713 29.536 28.432 1.00 21.58 H new ATOM 0 HB ILE B 743 2.306 27.878 28.074 1.00 22.09 H new ATOM 0 HG12 ILE B 743 2.848 29.032 25.499 1.00 22.39 H new ATOM 0 HG13 ILE B 743 4.056 28.614 26.391 1.00 22.39 H new ATOM 0 HG21 ILE B 743 0.560 27.989 26.489 1.00 21.68 H new ATOM 0 HG22 ILE B 743 0.238 28.873 27.762 1.00 21.68 H new ATOM 0 HG23 ILE B 743 0.741 29.561 26.427 1.00 21.68 H new ATOM 0 HD11 ILE B 743 3.607 26.931 24.848 1.00 22.70 H new ATOM 0 HD12 ILE B 743 3.357 26.376 26.310 1.00 22.70 H new ATOM 0 HD13 ILE B 743 2.130 26.801 25.403 1.00 22.70 H new ATOM 1890 N PHE B 744 1.717 31.907 27.620 1.00 22.42 N ATOM 1891 CA PHE B 744 1.750 33.283 27.022 1.00 20.15 C ATOM 1892 C PHE B 744 2.971 34.094 27.500 1.00 20.96 C ATOM 1893 O PHE B 744 3.685 34.728 26.702 1.00 21.42 O ATOM 1894 CB PHE B 744 0.446 34.067 27.345 1.00 21.61 C ATOM 1895 CG PHE B 744 -0.801 33.487 26.742 1.00 20.88 C ATOM 1896 CD1 PHE B 744 -1.447 32.386 27.275 1.00 21.69 C ATOM 1897 CD2 PHE B 744 -1.309 34.002 25.587 1.00 21.08 C ATOM 1898 CE1 PHE B 744 -2.599 31.854 26.675 1.00 20.42 C ATOM 1899 CE2 PHE B 744 -2.467 33.507 25.010 1.00 21.90 C ATOM 1900 CZ PHE B 744 -3.090 32.399 25.534 1.00 20.40 C ATOM 0 H PHE B 744 0.994 31.701 28.038 1.00 22.42 H new ATOM 0 HA PHE B 744 1.822 33.164 26.062 1.00 20.15 H new ATOM 0 HB2 PHE B 744 0.337 34.106 28.308 1.00 21.61 H new ATOM 0 HB3 PHE B 744 0.547 34.980 27.034 1.00 21.61 H new ATOM 0 HD1 PHE B 744 -1.111 31.990 28.047 1.00 21.69 H new ATOM 0 HD2 PHE B 744 -0.865 34.707 25.174 1.00 21.08 H new ATOM 0 HE1 PHE B 744 -3.028 31.125 27.061 1.00 20.42 H new ATOM 0 HE2 PHE B 744 -2.826 33.928 24.262 1.00 21.90 H new ATOM 0 HZ PHE B 744 -3.834 32.030 25.114 1.00 20.40 H new ATOM 1901 N CYS B 745 3.220 34.078 28.821 1.00 21.38 N ATOM 1902 CA CYS B 745 4.331 34.783 29.416 1.00 23.93 C ATOM 1903 C CYS B 745 5.688 34.234 28.962 1.00 26.41 C ATOM 1904 O CYS B 745 6.582 35.002 28.638 1.00 26.06 O ATOM 1905 CB CYS B 745 4.247 34.717 30.937 1.00 24.65 C ATOM 1906 SG CYS B 745 2.880 35.774 31.522 1.00 28.70 S ATOM 0 H CYS B 745 2.736 33.650 29.388 1.00 21.38 H new ATOM 0 HA CYS B 745 4.268 35.704 29.117 1.00 23.93 H new ATOM 0 HB2 CYS B 745 4.105 33.801 31.223 1.00 24.65 H new ATOM 0 HB3 CYS B 745 5.085 35.009 31.329 1.00 24.65 H new ATOM 1907 N ARG B 746 5.817 32.918 28.945 1.00 25.62 N ATOM 1908 CA ARG B 746 7.073 32.262 28.519 1.00 24.27 C ATOM 1909 C ARG B 746 7.448 32.486 27.086 1.00 25.86 C ATOM 1910 O ARG B 746 8.627 32.595 26.782 1.00 28.11 O ATOM 1911 CB ARG B 746 6.979 30.755 28.773 1.00 26.91 C ATOM 1912 CG ARG B 746 6.916 30.404 30.262 1.00 27.00 C ATOM 1913 CD ARG B 746 6.569 28.954 30.516 1.00 28.62 C ATOM 1914 NE ARG B 746 7.627 28.045 30.077 1.00 30.77 N ATOM 1915 CZ ARG B 746 7.550 26.705 30.030 1.00 29.35 C ATOM 1916 NH1 ARG B 746 6.455 26.051 30.405 1.00 29.42 N ATOM 1917 NH2 ARG B 746 8.637 26.026 29.617 1.00 26.89 N ATOM 0 H ARG B 746 5.193 32.373 29.175 1.00 25.62 H new ATOM 0 HA ARG B 746 7.771 32.676 29.051 1.00 24.27 H new ATOM 0 HB2 ARG B 746 6.190 30.406 28.329 1.00 26.91 H new ATOM 0 HB3 ARG B 746 7.747 30.316 28.374 1.00 26.91 H new ATOM 0 HG2 ARG B 746 7.772 30.603 30.672 1.00 27.00 H new ATOM 0 HG3 ARG B 746 6.257 30.969 30.694 1.00 27.00 H new ATOM 0 HD2 ARG B 746 6.406 28.824 31.463 1.00 28.62 H new ATOM 0 HD3 ARG B 746 5.745 28.735 30.054 1.00 28.62 H new ATOM 0 HE ARG B 746 8.368 28.402 29.825 1.00 30.77 H new ATOM 0 HH11 ARG B 746 5.770 26.487 30.688 1.00 29.42 H new ATOM 0 HH12 ARG B 746 6.432 25.192 30.365 1.00 29.42 H new ATOM 0 HH21 ARG B 746 9.350 26.451 29.394 1.00 26.89 H new ATOM 0 HH22 ARG B 746 8.618 25.167 29.576 1.00 26.89 H new ATOM 1918 N ILE B 747 6.465 32.469 26.203 1.00 23.27 N ATOM 1919 CA ILE B 747 6.606 32.810 24.798 1.00 24.93 C ATOM 1920 C ILE B 747 7.007 34.296 24.600 1.00 26.57 C ATOM 1921 O ILE B 747 7.922 34.608 23.824 1.00 25.76 O ATOM 1922 CB ILE B 747 5.293 32.559 24.036 1.00 25.88 C ATOM 1923 CG1 ILE B 747 5.031 31.039 23.877 1.00 29.88 C ATOM 1924 CG2 ILE B 747 5.283 33.205 22.656 1.00 25.38 C ATOM 1925 CD1 ILE B 747 6.006 30.314 22.953 1.00 31.17 C ATOM 0 H ILE B 747 5.661 32.249 26.415 1.00 23.27 H new ATOM 0 HA ILE B 747 7.309 32.241 24.448 1.00 24.93 H new ATOM 0 HB ILE B 747 4.591 32.966 24.567 1.00 25.88 H new ATOM 0 HG12 ILE B 747 5.066 30.624 24.753 1.00 29.88 H new ATOM 0 HG13 ILE B 747 4.130 30.913 23.539 1.00 29.88 H new ATOM 0 HG21 ILE B 747 4.438 33.019 22.218 1.00 25.38 H new ATOM 0 HG22 ILE B 747 5.395 34.164 22.747 1.00 25.38 H new ATOM 0 HG23 ILE B 747 6.009 32.844 22.124 1.00 25.38 H new ATOM 0 HD11 ILE B 747 5.773 29.374 22.910 1.00 31.17 H new ATOM 0 HD12 ILE B 747 5.958 30.700 22.064 1.00 31.17 H new ATOM 0 HD13 ILE B 747 6.908 30.407 23.297 1.00 31.17 H new ATOM 1926 N LYS B 748 6.334 35.179 25.299 1.00 26.57 N ATOM 1927 CA LYS B 748 6.639 36.615 25.210 1.00 33.27 C ATOM 1928 C LYS B 748 8.092 36.859 25.657 1.00 31.44 C ATOM 1929 O LYS B 748 8.791 37.623 25.040 1.00 30.16 O ATOM 1930 CB LYS B 748 5.694 37.406 26.088 1.00 36.92 C ATOM 1931 CG LYS B 748 5.896 38.918 25.978 1.00 43.67 C ATOM 1932 CD LYS B 748 4.862 39.695 26.771 1.00 50.80 C ATOM 1933 CE LYS B 748 4.968 39.416 28.253 1.00 54.63 C ATOM 1934 NZ LYS B 748 4.055 40.323 29.008 1.00 68.30 N ATOM 0 H LYS B 748 5.692 34.982 25.837 1.00 26.57 H new ATOM 0 HA LYS B 748 6.529 36.906 24.291 1.00 33.27 H new ATOM 0 HB2 LYS B 748 4.780 37.189 25.847 1.00 36.92 H new ATOM 0 HB3 LYS B 748 5.816 37.135 27.011 1.00 36.92 H new ATOM 0 HG2 LYS B 748 6.784 39.148 26.295 1.00 43.67 H new ATOM 0 HG3 LYS B 748 5.851 39.181 25.046 1.00 43.67 H new ATOM 0 HD2 LYS B 748 4.978 40.645 26.611 1.00 50.80 H new ATOM 0 HD3 LYS B 748 3.973 39.462 26.460 1.00 50.80 H new ATOM 0 HE2 LYS B 748 4.739 38.491 28.433 1.00 54.63 H new ATOM 0 HE3 LYS B 748 5.882 39.545 28.550 1.00 54.63 H new ATOM 0 HZ1 LYS B 748 4.122 40.154 29.879 1.00 68.30 H new ATOM 0 HZ2 LYS B 748 4.282 41.169 28.852 1.00 68.30 H new ATOM 0 HZ3 LYS B 748 3.216 40.187 28.744 1.00 68.30 H new ATOM 1935 N THR B 749 8.517 36.233 26.752 1.00 31.59 N ATOM 1936 CA THR B 749 9.905 36.289 27.189 1.00 31.89 C ATOM 1937 C THR B 749 10.898 35.952 26.065 1.00 36.27 C ATOM 1938 O THR B 749 11.799 36.728 25.790 1.00 41.17 O ATOM 1939 CB THR B 749 10.141 35.399 28.406 1.00 30.13 C ATOM 1940 OG1 THR B 749 9.449 35.972 29.507 1.00 33.65 O ATOM 1941 CG2 THR B 749 11.569 35.389 28.757 1.00 34.13 C ATOM 0 H THR B 749 8.007 35.764 27.261 1.00 31.59 H new ATOM 0 HA THR B 749 10.072 37.210 27.445 1.00 31.89 H new ATOM 0 HB THR B 749 9.838 34.499 28.208 1.00 30.13 H new ATOM 0 HG1 THR B 749 8.645 35.728 29.491 1.00 33.65 H new ATOM 0 HG21 THR B 749 11.708 34.821 29.531 1.00 34.13 H new ATOM 0 HG22 THR B 749 12.084 35.048 28.009 1.00 34.13 H new ATOM 0 HG23 THR B 749 11.858 36.292 28.963 1.00 34.13 H new ATOM 1942 N ILE B 750 10.665 34.832 25.390 1.00 34.55 N ATOM 1943 CA ILE B 750 11.424 34.424 24.224 1.00 34.68 C ATOM 1944 C ILE B 750 11.414 35.444 23.089 1.00 38.40 C ATOM 1945 O ILE B 750 12.470 35.733 22.490 1.00 35.83 O ATOM 1946 CB ILE B 750 10.937 33.070 23.675 1.00 33.20 C ATOM 1947 CG1 ILE B 750 11.229 31.990 24.716 1.00 31.50 C ATOM 1948 CG2 ILE B 750 11.600 32.767 22.328 1.00 32.45 C ATOM 1949 CD1 ILE B 750 10.561 30.674 24.459 1.00 29.68 C ATOM 0 H ILE B 750 10.045 34.277 25.606 1.00 34.55 H new ATOM 0 HA ILE B 750 12.337 34.348 24.543 1.00 34.68 H new ATOM 0 HB ILE B 750 9.981 33.096 23.514 1.00 33.20 H new ATOM 0 HG12 ILE B 750 12.188 31.849 24.758 1.00 31.50 H new ATOM 0 HG13 ILE B 750 10.952 32.315 25.587 1.00 31.50 H new ATOM 0 HG21 ILE B 750 11.283 31.912 21.996 1.00 32.45 H new ATOM 0 HG22 ILE B 750 11.375 33.464 21.692 1.00 32.45 H new ATOM 0 HG23 ILE B 750 12.563 32.733 22.441 1.00 32.45 H new ATOM 0 HD11 ILE B 750 10.797 30.048 25.162 1.00 29.68 H new ATOM 0 HD12 ILE B 750 9.599 30.796 24.445 1.00 29.68 H new ATOM 0 HD13 ILE B 750 10.854 30.324 23.603 1.00 29.68 H new ATOM 1950 N GLN B 751 10.236 35.949 22.763 1.00 31.57 N ATOM 1951 CA GLN B 751 10.100 36.922 21.688 1.00 34.08 C ATOM 1952 C GLN B 751 10.865 38.224 22.005 1.00 35.79 C ATOM 1953 O GLN B 751 11.432 38.829 21.117 1.00 40.23 O ATOM 1954 CB GLN B 751 8.626 37.213 21.409 1.00 35.68 C ATOM 1955 CG GLN B 751 7.909 36.001 20.819 1.00 42.90 C ATOM 1956 CD GLN B 751 6.413 36.220 20.581 1.00 47.12 C ATOM 1957 OE1 GLN B 751 5.721 36.955 21.316 1.00 46.02 O ATOM 1958 NE2 GLN B 751 5.899 35.559 19.543 1.00 52.95 N ATOM 0 H GLN B 751 9.498 35.742 23.153 1.00 31.57 H new ATOM 0 HA GLN B 751 10.494 36.538 20.889 1.00 34.08 H new ATOM 0 HB2 GLN B 751 8.188 37.479 22.232 1.00 35.68 H new ATOM 0 HB3 GLN B 751 8.555 37.961 20.796 1.00 35.68 H new ATOM 0 HG2 GLN B 751 8.330 35.765 19.978 1.00 42.90 H new ATOM 0 HG3 GLN B 751 8.025 35.245 21.416 1.00 42.90 H new ATOM 0 HE21 GLN B 751 6.405 35.061 19.057 1.00 52.95 H new ATOM 0 HE22 GLN B 751 5.062 35.631 19.359 1.00 52.95 H new ATOM 1959 N GLU B 752 10.909 38.607 23.281 1.00 37.74 N ATOM 1960 CA GLU B 752 11.478 39.897 23.689 1.00 40.90 C ATOM 1961 C GLU B 752 12.994 39.895 23.902 1.00 47.09 C ATOM 1962 O GLU B 752 13.574 41.006 24.133 1.00 38.09 O ATOM 1963 CB GLU B 752 10.803 40.394 24.966 1.00 41.75 C ATOM 1964 CG GLU B 752 9.414 40.925 24.684 1.00 42.71 C ATOM 1965 CD GLU B 752 8.638 41.236 25.937 1.00 49.03 C ATOM 1966 OE1 GLU B 752 9.121 40.939 27.073 1.00 52.05 O ATOM 1967 OE2 GLU B 752 7.512 41.752 25.771 1.00 59.58 O ATOM 0 H GLU B 752 10.612 38.131 23.933 1.00 37.74 H new ATOM 0 HA GLU B 752 11.306 40.491 22.942 1.00 40.90 H new ATOM 0 HB2 GLU B 752 10.750 39.670 25.609 1.00 41.75 H new ATOM 0 HB3 GLU B 752 11.343 41.092 25.369 1.00 41.75 H new ATOM 0 HG2 GLU B 752 9.483 41.728 24.145 1.00 42.71 H new ATOM 0 HG3 GLU B 752 8.924 40.273 24.159 1.00 42.71 H new ATOM 1968 N ARG B 753 13.617 38.695 23.834 1.00 39.51 N ATOM 1969 CA ARG B 753 15.021 38.530 24.163 1.00 41.49 C ATOM 1970 C ARG B 753 15.930 39.398 23.251 1.00 45.12 C ATOM 1971 O ARG B 753 16.748 40.226 23.729 1.00 42.19 O ATOM 1972 CB ARG B 753 15.427 37.060 24.070 1.00 41.16 C ATOM 1973 CG ARG B 753 16.871 36.811 24.474 1.00 42.22 C ATOM 1974 CD ARG B 753 17.166 35.342 24.651 1.00 43.84 C ATOM 1975 NE ARG B 753 16.719 34.611 23.459 1.00 46.28 N ATOM 1976 CZ ARG B 753 15.920 33.534 23.438 1.00 44.62 C ATOM 1977 NH1 ARG B 753 15.446 32.941 24.570 1.00 41.07 N ATOM 1978 NH2 ARG B 753 15.637 33.008 22.256 1.00 40.00 N ATOM 0 H ARG B 753 13.225 37.968 23.595 1.00 39.51 H new ATOM 0 HA ARG B 753 15.142 38.832 25.077 1.00 41.49 H new ATOM 0 HB2 ARG B 753 14.843 36.533 24.637 1.00 41.16 H new ATOM 0 HB3 ARG B 753 15.294 36.751 23.160 1.00 41.16 H new ATOM 0 HG2 ARG B 753 17.462 37.179 23.799 1.00 42.22 H new ATOM 0 HG3 ARG B 753 17.059 37.279 25.302 1.00 42.22 H new ATOM 0 HD2 ARG B 753 18.117 35.207 24.789 1.00 43.84 H new ATOM 0 HD3 ARG B 753 16.714 35.003 25.440 1.00 43.84 H new ATOM 0 HE ARG B 753 16.997 34.902 22.699 1.00 46.28 H new ATOM 0 HH11 ARG B 753 15.657 33.257 25.342 1.00 41.07 H new ATOM 0 HH12 ARG B 753 14.936 32.251 24.513 1.00 41.07 H new ATOM 0 HH21 ARG B 753 15.962 33.358 21.541 1.00 40.00 H new ATOM 0 HH22 ARG B 753 15.128 32.317 22.204 1.00 40.00 H new ATOM 1979 N CYS B 754 15.810 39.159 21.948 1.00 48.26 N ATOM 1980 CA CYS B 754 16.528 39.925 20.933 1.00 49.06 C ATOM 1981 C CYS B 754 15.669 39.934 19.681 1.00 57.54 C ATOM 1982 O CYS B 754 15.814 39.036 18.838 1.00 58.74 O ATOM 1983 CB CYS B 754 17.925 39.368 20.594 1.00 46.57 C ATOM 1984 SG CYS B 754 18.886 40.616 19.630 1.00 46.54 S ATOM 0 H CYS B 754 15.305 38.542 21.625 1.00 48.26 H new ATOM 0 HA CYS B 754 16.681 40.815 21.286 1.00 49.06 H new ATOM 0 HB2 CYS B 754 18.399 39.144 21.410 1.00 46.57 H new ATOM 0 HB3 CYS B 754 17.839 38.549 20.082 1.00 46.57 H new ATOM 0 HG CYS B 754 19.972 40.174 19.373 1.00 46.54 H new ATOM 1985 N PRO B 755 14.765 40.935 19.571 1.00 65.31 N ATOM 1986 CA PRO B 755 13.871 40.910 18.426 1.00 73.02 C ATOM 1987 C PRO B 755 14.599 41.118 17.074 1.00 79.83 C ATOM 1988 O PRO B 755 15.044 42.212 16.788 1.00 66.99 O ATOM 1989 CB PRO B 755 12.847 42.027 18.753 1.00 72.89 C ATOM 1990 CG PRO B 755 12.907 42.180 20.242 1.00 72.03 C ATOM 1991 CD PRO B 755 14.360 41.966 20.556 1.00 69.79 C ATOM 0 HA PRO B 755 13.450 40.045 18.301 1.00 73.02 H new ATOM 0 HB2 PRO B 755 13.076 42.856 18.305 1.00 72.89 H new ATOM 0 HB3 PRO B 755 11.955 41.783 18.460 1.00 72.89 H new ATOM 0 HG2 PRO B 755 12.606 43.058 20.524 1.00 72.03 H new ATOM 0 HG3 PRO B 755 12.345 41.530 20.691 1.00 72.03 H new ATOM 0 HD2 PRO B 755 14.874 42.782 20.453 1.00 69.79 H new ATOM 0 HD3 PRO B 755 14.490 41.662 21.468 1.00 69.79 H new ATOM 1992 N GLU B 756 14.808 40.029 16.324 1.00 93.51 N ATOM 1993 CA GLU B 756 14.799 40.074 14.862 1.00101.76 C ATOM 1994 C GLU B 756 13.300 39.931 14.606 1.00117.13 C ATOM 1995 O GLU B 756 12.741 38.871 14.895 1.00129.99 O ATOM 1996 CB GLU B 756 15.587 38.909 14.244 1.00 90.45 C ATOM 0 H GLU B 756 14.958 39.248 16.650 1.00 93.51 H new ATOM 0 HA GLU B 756 15.212 40.863 14.478 1.00101.76 H new ATOM 1997 N SER B 757 12.656 41.006 14.123 1.00126.52 N ATOM 1998 CA SER B 757 11.171 41.166 14.113 1.00129.89 C ATOM 1999 C SER B 757 10.416 40.053 13.353 1.00132.50 C ATOM 2000 O SER B 757 11.020 39.035 13.012 1.00146.15 O ATOM 2001 CB SER B 757 10.805 42.547 13.537 1.00125.08 C ATOM 0 H SER B 757 13.070 41.679 13.784 1.00126.52 H new ATOM 0 HA SER B 757 10.883 41.092 15.036 1.00129.89 H new ATOM 2002 N GLN B 758 9.120 40.220 13.063 1.00128.01 N ATOM 2003 CA GLN B 758 8.419 39.277 12.162 1.00120.40 C ATOM 2004 C GLN B 758 8.993 39.411 10.730 1.00122.56 C ATOM 2005 O GLN B 758 8.250 39.375 9.743 1.00123.01 O ATOM 2006 CB GLN B 758 6.900 39.497 12.192 1.00110.64 C ATOM 0 H GLN B 758 8.632 40.859 13.368 1.00128.01 H new ATOM 0 HA GLN B 758 8.571 38.371 12.472 1.00120.40 H new ATOM 2007 N SER B 759 10.336 39.466 10.656 1.00118.36 N ATOM 2008 CA SER B 759 11.120 39.944 9.506 1.00108.76 C ATOM 2009 C SER B 759 11.138 38.899 8.386 1.00101.61 C ATOM 2010 O SER B 759 11.642 39.170 7.285 1.00107.05 O ATOM 2011 CB SER B 759 12.562 40.291 9.939 1.00 94.96 C ATOM 0 H SER B 759 10.835 39.212 11.309 1.00118.36 H new ATOM 0 HA SER B 759 10.696 40.748 9.166 1.00108.76 H new ATOM 2012 N GLY B 760 10.629 37.702 8.694 1.00 78.70 N ATOM 2013 CA GLY B 760 10.177 36.764 7.693 1.00 73.10 C ATOM 2014 C GLY B 760 11.024 35.521 7.765 1.00 69.94 C ATOM 2015 O GLY B 760 12.256 35.609 7.676 1.00 70.51 O ATOM 0 H GLY B 760 10.540 37.419 9.501 1.00 78.70 H new ATOM 0 HA2 GLY B 760 9.244 36.542 7.839 1.00 73.10 H new ATOM 0 HA3 GLY B 760 10.239 37.161 6.810 1.00 73.10 H new ATOM 2016 N HIS B 761 10.368 34.372 7.955 1.00 51.58 N ATOM 2017 CA HIS B 761 10.958 33.089 7.635 1.00 45.69 C ATOM 2018 C HIS B 761 10.105 32.371 6.597 1.00 44.52 C ATOM 2019 O HIS B 761 8.936 32.697 6.410 1.00 42.54 O ATOM 2020 CB HIS B 761 11.037 32.260 8.883 1.00 43.85 C ATOM 2021 CG HIS B 761 11.785 32.921 9.982 1.00 45.77 C ATOM 2022 ND1 HIS B 761 11.177 33.759 10.881 1.00 50.67 N ATOM 2023 CD2 HIS B 761 13.094 32.868 10.337 1.00 43.28 C ATOM 2024 CE1 HIS B 761 12.074 34.180 11.757 1.00 45.13 C ATOM 2025 NE2 HIS B 761 13.239 33.641 11.455 1.00 40.69 N ATOM 0 H HIS B 761 9.570 34.324 8.273 1.00 51.58 H new ATOM 0 HA HIS B 761 11.848 33.223 7.274 1.00 45.69 H new ATOM 0 HB2 HIS B 761 10.138 32.059 9.187 1.00 43.85 H new ATOM 0 HB3 HIS B 761 11.462 31.413 8.675 1.00 43.85 H new ATOM 0 HD1 HIS B 761 10.345 33.976 10.876 1.00 50.67 H new ATOM 0 HD2 HIS B 761 13.766 32.395 9.902 1.00 43.28 H new ATOM 0 HE1 HIS B 761 11.911 34.759 12.466 1.00 45.13 H new ATOM 2026 N GLN B 762 10.694 31.387 5.926 1.00 41.82 N ATOM 2027 CA GLN B 762 9.986 30.603 4.942 1.00 43.65 C ATOM 2028 C GLN B 762 9.376 29.402 5.632 1.00 41.80 C ATOM 2029 O GLN B 762 9.997 28.834 6.513 1.00 44.85 O ATOM 2030 CB GLN B 762 10.940 30.137 3.857 1.00 49.99 C ATOM 2031 CG GLN B 762 11.814 31.245 3.305 1.00 58.25 C ATOM 2032 CD GLN B 762 11.034 32.537 3.083 1.00 70.90 C ATOM 2033 OE1 GLN B 762 10.084 32.573 2.285 1.00 78.99 O ATOM 2034 NE2 GLN B 762 11.408 33.602 3.816 1.00 78.17 N ATOM 0 H GLN B 762 11.517 31.160 6.033 1.00 41.82 H new ATOM 0 HA GLN B 762 9.292 31.143 4.532 1.00 43.65 H new ATOM 0 HB2 GLN B 762 11.507 29.435 4.214 1.00 49.99 H new ATOM 0 HB3 GLN B 762 10.428 29.747 3.132 1.00 49.99 H new ATOM 0 HG2 GLN B 762 12.547 31.413 3.918 1.00 58.25 H new ATOM 0 HG3 GLN B 762 12.206 30.958 2.466 1.00 58.25 H new ATOM 0 HE21 GLN B 762 12.072 33.539 4.359 1.00 78.17 H new ATOM 0 HE22 GLN B 762 10.983 34.346 3.741 1.00 78.17 H new ATOM 2035 N GLU B 763 8.197 28.969 5.216 1.00 37.60 N ATOM 2036 CA GLU B 763 7.585 27.836 5.896 1.00 37.21 C ATOM 2037 C GLU B 763 8.474 26.586 5.806 1.00 39.39 C ATOM 2038 O GLU B 763 8.599 25.872 6.813 1.00 33.99 O ATOM 2039 CB GLU B 763 6.132 27.574 5.419 1.00 37.85 C ATOM 2040 CG GLU B 763 5.520 26.263 5.994 1.00 36.95 C ATOM 2041 CD GLU B 763 4.198 25.871 5.409 1.00 32.75 C ATOM 2042 OE1 GLU B 763 3.282 26.660 5.553 1.00 37.82 O ATOM 2043 OE2 GLU B 763 4.040 24.773 4.840 1.00 36.20 O ATOM 0 H GLU B 763 7.745 29.302 4.564 1.00 37.60 H new ATOM 0 HA GLU B 763 7.515 28.067 6.836 1.00 37.21 H new ATOM 0 HB2 GLU B 763 5.574 28.324 5.677 1.00 37.85 H new ATOM 0 HB3 GLU B 763 6.119 27.531 4.450 1.00 37.85 H new ATOM 0 HG2 GLU B 763 6.149 25.539 5.851 1.00 36.95 H new ATOM 0 HG3 GLU B 763 5.417 26.364 6.953 1.00 36.95 H new ATOM 2044 N SER B 764 9.116 26.346 4.647 1.00 34.42 N ATOM 2045 CA ASER B 764 9.954 25.153 4.436 0.71 34.50 C ATOM 2046 CA BSER B 764 9.959 25.151 4.445 0.29 33.88 C ATOM 2047 C SER B 764 11.079 25.036 5.467 1.00 33.14 C ATOM 2048 O SER B 764 11.402 23.939 5.887 1.00 32.76 O ATOM 2049 CB ASER B 764 10.572 25.164 3.010 0.71 35.54 C ATOM 2050 CB BSER B 764 10.571 25.102 3.027 0.29 34.04 C ATOM 2051 OG ASER B 764 11.269 26.388 2.828 0.71 34.28 O ATOM 2052 OG BSER B 764 9.655 24.552 2.113 0.29 32.98 O ATOM 0 H ASER B 764 9.076 26.870 3.966 0.71 34.42 H new ATOM 0 H BSER B 764 9.075 26.866 3.964 0.29 34.42 H new ATOM 0 HA ASER B 764 9.370 24.386 4.540 0.71 33.88 H new ATOM 0 HA BSER B 764 9.357 24.399 4.561 0.29 33.88 H new ATOM 0 HB2ASER B 764 11.176 24.413 2.899 0.71 34.04 H new ATOM 0 HB2BSER B 764 10.820 25.996 2.745 0.29 34.04 H new ATOM 0 HB3ASER B 764 9.876 25.070 2.341 0.71 34.04 H new ATOM 0 HB3BSER B 764 11.383 24.572 3.038 0.29 34.04 H new ATOM 0 HG ASER B 764 11.609 26.405 2.060 0.71 32.98 H new ATOM 0 HG BSER B 764 10.000 24.533 1.347 0.29 32.98 H new ATOM 2053 N GLU B 765 11.636 26.178 5.849 1.00 29.68 N ATOM 2054 CA GLU B 765 12.705 26.279 6.811 1.00 34.01 C ATOM 2055 C GLU B 765 12.160 25.982 8.211 1.00 35.54 C ATOM 2056 O GLU B 765 12.781 25.222 8.992 1.00 28.46 O ATOM 2057 CB GLU B 765 13.325 27.688 6.791 1.00 34.09 C ATOM 2058 CG GLU B 765 14.484 27.932 7.742 1.00 41.05 C ATOM 2059 CD GLU B 765 14.161 28.552 9.119 1.00 47.90 C ATOM 2060 OE1 GLU B 765 13.381 29.532 9.243 1.00 44.75 O ATOM 2061 OE2 GLU B 765 14.754 28.073 10.124 1.00 44.99 O ATOM 0 H GLU B 765 11.387 26.941 5.539 1.00 29.68 H new ATOM 0 HA GLU B 765 13.392 25.635 6.580 1.00 34.01 H new ATOM 0 HB2 GLU B 765 13.629 27.873 5.889 1.00 34.09 H new ATOM 0 HB3 GLU B 765 12.626 28.330 6.993 1.00 34.09 H new ATOM 0 HG2 GLU B 765 14.930 27.084 7.893 1.00 41.05 H new ATOM 0 HG3 GLU B 765 15.120 28.512 7.295 1.00 41.05 H new ATOM 2062 N VAL B 766 11.006 26.594 8.510 1.00 29.31 N ATOM 2063 CA VAL B 766 10.405 26.452 9.822 1.00 29.70 C ATOM 2064 C VAL B 766 10.094 24.989 10.042 1.00 25.26 C ATOM 2065 O VAL B 766 10.445 24.484 11.083 1.00 23.23 O ATOM 2066 CB VAL B 766 9.148 27.381 10.042 1.00 30.45 C ATOM 2067 CG1 VAL B 766 8.354 26.933 11.297 1.00 30.96 C ATOM 2068 CG2 VAL B 766 9.591 28.818 10.188 1.00 28.39 C ATOM 0 H VAL B 766 10.565 27.091 7.964 1.00 29.31 H new ATOM 0 HA VAL B 766 11.039 26.755 10.491 1.00 29.70 H new ATOM 0 HB VAL B 766 8.566 27.307 9.270 1.00 30.45 H new ATOM 0 HG11 VAL B 766 7.586 27.513 11.418 1.00 30.96 H new ATOM 0 HG12 VAL B 766 8.053 26.018 11.180 1.00 30.96 H new ATOM 0 HG13 VAL B 766 8.926 26.987 12.078 1.00 30.96 H new ATOM 0 HG21 VAL B 766 8.815 29.384 10.323 1.00 28.39 H new ATOM 0 HG22 VAL B 766 10.185 28.898 10.951 1.00 28.39 H new ATOM 0 HG23 VAL B 766 10.058 29.096 9.384 1.00 28.39 H new ATOM 2069 N LEU B 767 9.513 24.320 9.053 1.00 23.42 N ATOM 2070 CA LEU B 767 9.130 22.956 9.243 1.00 24.74 C ATOM 2071 C LEU B 767 10.309 22.008 9.539 1.00 28.72 C ATOM 2072 O LEU B 767 10.135 20.981 10.229 1.00 24.22 O ATOM 2073 CB LEU B 767 8.331 22.396 8.077 1.00 25.01 C ATOM 2074 CG LEU B 767 6.977 23.014 7.737 1.00 27.96 C ATOM 2075 CD1 LEU B 767 6.360 22.385 6.503 1.00 27.46 C ATOM 2076 CD2 LEU B 767 6.081 22.872 8.954 1.00 26.00 C ATOM 0 H LEU B 767 9.338 24.645 8.276 1.00 23.42 H new ATOM 0 HA LEU B 767 8.565 22.988 10.031 1.00 24.74 H new ATOM 0 HB2 LEU B 767 8.888 22.458 7.285 1.00 25.01 H new ATOM 0 HB3 LEU B 767 8.186 21.452 8.249 1.00 25.01 H new ATOM 0 HG LEU B 767 7.090 23.953 7.520 1.00 27.96 H new ATOM 0 HD11 LEU B 767 5.504 22.803 6.320 1.00 27.46 H new ATOM 0 HD12 LEU B 767 6.951 22.513 5.744 1.00 27.46 H new ATOM 0 HD13 LEU B 767 6.230 21.436 6.654 1.00 27.46 H new ATOM 0 HD21 LEU B 767 5.212 23.258 8.763 1.00 26.00 H new ATOM 0 HD22 LEU B 767 5.976 21.932 9.171 1.00 26.00 H new ATOM 0 HD23 LEU B 767 6.482 23.334 9.707 1.00 26.00 H new ATOM 2077 N MET B 768 11.490 22.346 9.035 1.00 29.78 N ATOM 2078 CA MET B 768 12.689 21.496 9.250 1.00 31.20 C ATOM 2079 C MET B 768 13.397 21.731 10.614 1.00 29.83 C ATOM 2080 O MET B 768 14.335 20.981 10.968 1.00 26.08 O ATOM 2081 CB MET B 768 13.672 21.725 8.075 1.00 35.76 C ATOM 2082 CG MET B 768 13.214 21.064 6.782 1.00 40.59 C ATOM 2083 SD MET B 768 12.943 19.265 6.967 1.00 61.18 S ATOM 2084 CE MET B 768 14.614 18.743 7.417 1.00 59.91 C ATOM 0 H MET B 768 11.632 23.054 8.568 1.00 29.78 H new ATOM 0 HA MET B 768 12.390 20.574 9.277 1.00 31.20 H new ATOM 0 HB2 MET B 768 13.775 22.678 7.927 1.00 35.76 H new ATOM 0 HB3 MET B 768 14.545 21.379 8.318 1.00 35.76 H new ATOM 0 HG2 MET B 768 12.391 21.482 6.483 1.00 40.59 H new ATOM 0 HG3 MET B 768 13.878 21.218 6.092 1.00 40.59 H new ATOM 0 HE1 MET B 768 14.889 18.010 6.845 1.00 59.91 H new ATOM 0 HE2 MET B 768 15.227 19.487 7.306 1.00 59.91 H new ATOM 0 HE3 MET B 768 14.624 18.452 8.342 1.00 59.91 H new ATOM 2085 N ARG B 769 12.946 22.723 11.385 1.00 24.15 N ATOM 2086 CA ARG B 769 13.525 22.979 12.669 1.00 25.74 C ATOM 2087 C ARG B 769 13.350 21.786 13.588 1.00 25.73 C ATOM 2088 O ARG B 769 12.289 21.214 13.653 1.00 22.04 O ATOM 2089 CB ARG B 769 12.893 24.167 13.339 1.00 28.52 C ATOM 2090 CG ARG B 769 13.207 25.440 12.575 1.00 34.20 C ATOM 2091 CD ARG B 769 12.928 26.636 13.416 1.00 37.28 C ATOM 2092 NE ARG B 769 12.955 27.803 12.550 1.00 42.70 N ATOM 2093 CZ ARG B 769 12.507 29.004 12.881 1.00 46.54 C ATOM 2094 NH1 ARG B 769 11.943 29.209 14.079 1.00 47.42 N ATOM 2095 NH2 ARG B 769 12.594 30.000 11.987 1.00 44.46 N ATOM 0 H ARG B 769 12.303 23.252 11.168 1.00 24.15 H new ATOM 0 HA ARG B 769 14.466 23.155 12.514 1.00 25.74 H new ATOM 0 HB2 ARG B 769 11.932 24.043 13.390 1.00 28.52 H new ATOM 0 HB3 ARG B 769 13.218 24.242 14.250 1.00 28.52 H new ATOM 0 HG2 ARG B 769 14.138 25.439 12.303 1.00 34.20 H new ATOM 0 HG3 ARG B 769 12.675 25.477 11.765 1.00 34.20 H new ATOM 0 HD2 ARG B 769 12.064 26.553 13.849 1.00 37.28 H new ATOM 0 HD3 ARG B 769 13.591 26.719 14.120 1.00 37.28 H new ATOM 0 HE ARG B 769 13.287 27.706 11.763 1.00 42.70 H new ATOM 0 HH11 ARG B 769 11.871 28.559 14.637 1.00 47.42 H new ATOM 0 HH12 ARG B 769 11.653 29.991 14.290 1.00 47.42 H new ATOM 0 HH21 ARG B 769 12.937 29.853 11.212 1.00 44.46 H new ATOM 0 HH22 ARG B 769 12.307 30.785 12.189 1.00 44.46 H new ATOM 2096 N GLN B 770 14.412 21.440 14.312 1.00 24.69 N ATOM 2097 CA GLN B 770 14.292 20.328 15.253 1.00 23.21 C ATOM 2098 C GLN B 770 13.543 20.773 16.489 1.00 22.58 C ATOM 2099 O GLN B 770 13.580 21.954 16.884 1.00 19.68 O ATOM 2100 CB GLN B 770 15.695 19.775 15.617 1.00 23.40 C ATOM 2101 CG GLN B 770 16.308 19.040 14.417 1.00 26.93 C ATOM 2102 CD GLN B 770 17.710 18.532 14.707 1.00 30.90 C ATOM 2103 OE1 GLN B 770 18.080 18.313 15.851 1.00 31.96 O ATOM 2104 NE2 GLN B 770 18.470 18.338 13.679 1.00 38.17 N ATOM 0 H GLN B 770 15.183 21.819 14.278 1.00 24.69 H new ATOM 0 HA GLN B 770 13.789 19.612 14.835 1.00 23.21 H new ATOM 0 HB2 GLN B 770 16.276 20.503 15.889 1.00 23.40 H new ATOM 0 HB3 GLN B 770 15.625 19.171 16.373 1.00 23.40 H new ATOM 0 HG2 GLN B 770 15.739 18.293 14.173 1.00 26.93 H new ATOM 0 HG3 GLN B 770 16.334 19.638 13.653 1.00 26.93 H new ATOM 0 HE21 GLN B 770 18.175 18.504 12.888 1.00 38.17 H new ATOM 0 HE22 GLN B 770 19.271 18.043 13.786 1.00 38.17 H new ATOM 2105 N MET B 771 12.928 19.803 17.167 1.00 22.44 N ATOM 2106 CA MET B 771 12.128 20.138 18.350 1.00 22.99 C ATOM 2107 C MET B 771 12.927 20.312 19.626 1.00 20.89 C ATOM 2108 O MET B 771 12.702 19.637 20.637 1.00 19.14 O ATOM 2109 CB MET B 771 10.985 19.148 18.514 1.00 22.05 C ATOM 2110 CG MET B 771 9.979 19.227 17.392 1.00 24.72 C ATOM 2111 SD MET B 771 8.751 20.605 17.621 1.00 24.14 S ATOM 2112 CE MET B 771 7.541 19.693 18.528 1.00 25.46 C ATOM 0 H MET B 771 12.958 18.967 16.967 1.00 22.44 H new ATOM 0 HA MET B 771 11.758 21.019 18.185 1.00 22.99 H new ATOM 0 HB2 MET B 771 11.345 18.248 18.557 1.00 22.05 H new ATOM 0 HB3 MET B 771 10.536 19.315 19.358 1.00 22.05 H new ATOM 0 HG2 MET B 771 10.447 19.353 16.552 1.00 24.72 H new ATOM 0 HG3 MET B 771 9.504 18.383 17.329 1.00 24.72 H new ATOM 0 HE1 MET B 771 6.856 20.298 18.853 1.00 25.46 H new ATOM 0 HE2 MET B 771 7.136 19.028 17.949 1.00 25.46 H new ATOM 0 HE3 MET B 771 7.965 19.251 19.280 1.00 25.46 H new ATOM 2113 N LEU B 772 13.833 21.294 19.582 1.00 21.22 N ATOM 2114 CA LEU B 772 14.525 21.805 20.742 1.00 20.74 C ATOM 2115 C LEU B 772 13.482 22.467 21.706 1.00 20.32 C ATOM 2116 O LEU B 772 12.324 22.725 21.292 1.00 18.63 O ATOM 2117 CB LEU B 772 15.558 22.842 20.283 1.00 25.91 C ATOM 2118 CG LEU B 772 16.735 22.272 19.418 1.00 29.76 C ATOM 2119 CD1 LEU B 772 17.575 23.413 18.867 1.00 28.27 C ATOM 2120 CD2 LEU B 772 17.580 21.307 20.234 1.00 31.10 C ATOM 0 H LEU B 772 14.060 21.685 18.850 1.00 21.22 H new ATOM 0 HA LEU B 772 14.979 21.088 21.211 1.00 20.74 H new ATOM 0 HB2 LEU B 772 15.102 23.528 19.771 1.00 25.91 H new ATOM 0 HB3 LEU B 772 15.931 23.275 21.067 1.00 25.91 H new ATOM 0 HG LEU B 772 16.366 21.778 18.669 1.00 29.76 H new ATOM 0 HD11 LEU B 772 18.301 23.053 18.333 1.00 28.27 H new ATOM 0 HD12 LEU B 772 17.021 23.985 18.314 1.00 28.27 H new ATOM 0 HD13 LEU B 772 17.941 23.930 19.602 1.00 28.27 H new ATOM 0 HD21 LEU B 772 18.302 20.965 19.684 1.00 31.10 H new ATOM 0 HD22 LEU B 772 17.950 21.770 21.002 1.00 31.10 H new ATOM 0 HD23 LEU B 772 17.028 20.570 20.537 1.00 31.10 H new ATOM 2121 N PRO B 773 13.878 22.740 22.962 1.00 19.70 N ATOM 2122 CA PRO B 773 12.935 23.200 23.967 1.00 21.08 C ATOM 2123 C PRO B 773 12.074 24.409 23.529 1.00 21.87 C ATOM 2124 O PRO B 773 10.854 24.376 23.724 1.00 21.22 O ATOM 2125 CB PRO B 773 13.841 23.494 25.174 1.00 19.80 C ATOM 2126 CG PRO B 773 14.862 22.403 25.057 1.00 20.48 C ATOM 2127 CD PRO B 773 15.150 22.309 23.599 1.00 21.11 C ATOM 0 HA PRO B 773 12.250 22.541 24.158 1.00 21.08 H new ATOM 0 HB2 PRO B 773 14.242 24.376 25.123 1.00 19.80 H new ATOM 0 HB3 PRO B 773 13.356 23.451 26.013 1.00 19.80 H new ATOM 0 HG2 PRO B 773 15.663 22.615 25.561 1.00 20.48 H new ATOM 0 HG3 PRO B 773 14.522 21.563 25.404 1.00 20.48 H new ATOM 0 HD2 PRO B 773 15.889 22.883 23.344 1.00 21.11 H new ATOM 0 HD3 PRO B 773 15.390 21.405 23.340 1.00 21.11 H new ATOM 2128 N GLU B 774 12.683 25.409 22.867 1.00 24.72 N ATOM 2129 CA GLU B 774 11.902 26.590 22.427 1.00 25.97 C ATOM 2130 C GLU B 774 10.913 26.255 21.315 1.00 23.57 C ATOM 2131 O GLU B 774 9.780 26.779 21.319 1.00 23.81 O ATOM 2132 CB GLU B 774 12.804 27.804 22.084 1.00 24.81 C ATOM 2133 CG GLU B 774 13.427 28.366 23.375 1.00 31.08 C ATOM 2134 CD GLU B 774 14.186 29.697 23.218 1.00 36.47 C ATOM 2135 OE1 GLU B 774 14.374 30.183 22.073 1.00 32.50 O ATOM 2136 OE2 GLU B 774 14.585 30.223 24.286 1.00 37.46 O ATOM 0 H GLU B 774 13.519 25.428 22.667 1.00 24.72 H new ATOM 0 HA GLU B 774 11.366 26.862 23.188 1.00 25.97 H new ATOM 0 HB2 GLU B 774 13.503 27.535 21.467 1.00 24.81 H new ATOM 0 HB3 GLU B 774 12.282 28.491 21.640 1.00 24.81 H new ATOM 0 HG2 GLU B 774 12.722 28.489 24.029 1.00 31.08 H new ATOM 0 HG3 GLU B 774 14.037 27.704 23.736 1.00 31.08 H new ATOM 2137 N GLU B 775 11.300 25.395 20.374 1.00 22.53 N ATOM 2138 CA GLU B 775 10.400 24.979 19.347 1.00 23.88 C ATOM 2139 C GLU B 775 9.271 24.070 19.888 1.00 23.26 C ATOM 2140 O GLU B 775 8.147 24.122 19.419 1.00 22.83 O ATOM 2141 CB GLU B 775 11.092 24.262 18.169 1.00 26.86 C ATOM 2142 CG GLU B 775 12.326 24.960 17.589 1.00 36.33 C ATOM 2143 CD GLU B 775 12.136 26.410 17.208 1.00 45.21 C ATOM 2144 OE1 GLU B 775 11.099 26.762 16.625 1.00 54.05 O ATOM 2145 OE2 GLU B 775 13.054 27.200 17.450 1.00 51.83 O ATOM 0 H GLU B 775 12.086 25.049 20.327 1.00 22.53 H new ATOM 0 HA GLU B 775 10.020 25.807 19.014 1.00 23.88 H new ATOM 0 HB2 GLU B 775 11.352 23.375 18.462 1.00 26.86 H new ATOM 0 HB3 GLU B 775 10.443 24.147 17.457 1.00 26.86 H new ATOM 0 HG2 GLU B 775 13.045 24.904 18.238 1.00 36.33 H new ATOM 0 HG3 GLU B 775 12.615 24.471 16.803 1.00 36.33 H new ATOM 2146 N GLN B 776 9.594 23.202 20.821 1.00 19.78 N ATOM 2147 CA GLN B 776 8.612 22.355 21.469 1.00 19.83 C ATOM 2148 C GLN B 776 7.562 23.265 22.188 1.00 19.82 C ATOM 2149 O GLN B 776 6.361 23.043 22.043 1.00 19.76 O ATOM 2150 CB GLN B 776 9.325 21.474 22.454 1.00 19.41 C ATOM 2151 CG GLN B 776 8.490 20.664 23.429 1.00 19.47 C ATOM 2152 CD GLN B 776 7.886 19.459 22.831 1.00 20.06 C ATOM 2153 OE1 GLN B 776 8.450 18.892 21.926 1.00 21.85 O ATOM 2154 NE2 GLN B 776 6.738 19.061 23.327 1.00 20.57 N ATOM 0 H GLN B 776 10.398 23.084 21.102 1.00 19.78 H new ATOM 0 HA GLN B 776 8.149 21.797 20.825 1.00 19.83 H new ATOM 0 HB2 GLN B 776 9.877 20.855 21.952 1.00 19.41 H new ATOM 0 HB3 GLN B 776 9.925 22.034 22.972 1.00 19.41 H new ATOM 0 HG2 GLN B 776 9.047 20.400 24.178 1.00 19.47 H new ATOM 0 HG3 GLN B 776 7.785 21.227 23.785 1.00 19.47 H new ATOM 0 HE21 GLN B 776 6.374 19.498 23.972 1.00 20.57 H new ATOM 0 HE22 GLN B 776 6.350 18.364 23.007 1.00 20.57 H new ATOM 2155 N LEU B 777 8.033 24.335 22.838 1.00 20.25 N ATOM 2156 CA LEU B 777 7.136 25.273 23.535 1.00 22.28 C ATOM 2157 C LEU B 777 6.249 25.998 22.506 1.00 21.08 C ATOM 2158 O LEU B 777 5.032 26.192 22.710 1.00 22.75 O ATOM 2159 CB LEU B 777 7.925 26.284 24.376 1.00 22.81 C ATOM 2160 CG LEU B 777 7.088 27.136 25.311 1.00 25.24 C ATOM 2161 CD1 LEU B 777 6.514 26.281 26.455 1.00 24.16 C ATOM 2162 CD2 LEU B 777 7.898 28.332 25.921 1.00 26.70 C ATOM 0 H LEU B 777 8.867 24.537 22.889 1.00 20.25 H new ATOM 0 HA LEU B 777 6.575 24.767 24.143 1.00 22.28 H new ATOM 0 HB2 LEU B 777 8.583 25.803 24.902 1.00 22.81 H new ATOM 0 HB3 LEU B 777 8.414 26.870 23.777 1.00 22.81 H new ATOM 0 HG LEU B 777 6.367 27.503 24.776 1.00 25.24 H new ATOM 0 HD11 LEU B 777 5.982 26.841 27.042 1.00 24.16 H new ATOM 0 HD12 LEU B 777 5.956 25.579 26.086 1.00 24.16 H new ATOM 0 HD13 LEU B 777 7.242 25.884 26.959 1.00 24.16 H new ATOM 0 HD21 LEU B 777 7.323 28.846 26.510 1.00 26.70 H new ATOM 0 HD22 LEU B 777 8.652 27.989 26.425 1.00 26.70 H new ATOM 0 HD23 LEU B 777 8.221 28.903 25.206 1.00 26.70 H new ATOM 2163 N LYS B 778 6.842 26.443 21.424 1.00 19.42 N ATOM 2164 CA LYS B 778 6.042 27.126 20.408 1.00 19.47 C ATOM 2165 C LYS B 778 4.935 26.281 19.790 1.00 18.44 C ATOM 2166 O LYS B 778 3.813 26.769 19.439 1.00 21.46 O ATOM 2167 CB LYS B 778 6.961 27.761 19.344 1.00 22.55 C ATOM 2168 CG LYS B 778 7.714 28.945 19.818 1.00 23.86 C ATOM 2169 CD LYS B 778 8.757 29.373 18.783 1.00 32.39 C ATOM 2170 CE LYS B 778 9.403 30.670 19.188 1.00 38.73 C ATOM 2171 NZ LYS B 778 10.577 30.975 18.327 1.00 48.79 N ATOM 0 H LYS B 778 7.681 26.369 21.250 1.00 19.42 H new ATOM 0 HA LYS B 778 5.561 27.830 20.871 1.00 19.47 H new ATOM 0 HB2 LYS B 778 7.592 27.092 19.036 1.00 22.55 H new ATOM 0 HB3 LYS B 778 6.423 28.018 18.579 1.00 22.55 H new ATOM 0 HG2 LYS B 778 7.101 29.677 19.988 1.00 23.86 H new ATOM 0 HG3 LYS B 778 8.151 28.740 20.659 1.00 23.86 H new ATOM 0 HD2 LYS B 778 9.433 28.683 18.693 1.00 32.39 H new ATOM 0 HD3 LYS B 778 8.336 29.473 17.915 1.00 32.39 H new ATOM 0 HE2 LYS B 778 8.756 31.390 19.125 1.00 38.73 H new ATOM 0 HE3 LYS B 778 9.683 30.620 20.115 1.00 38.73 H new ATOM 0 HZ1 LYS B 778 10.942 31.745 18.584 1.00 48.79 H new ATOM 0 HZ2 LYS B 778 11.178 30.322 18.402 1.00 48.79 H new ATOM 0 HZ3 LYS B 778 10.315 31.041 17.479 1.00 48.79 H new ATOM 2172 N CYS B 779 5.170 25.007 19.589 1.00 16.32 N ATOM 2173 CA CYS B 779 4.157 24.132 19.060 1.00 17.22 C ATOM 2174 C CYS B 779 3.086 23.892 20.138 1.00 17.51 C ATOM 2175 O CYS B 779 1.898 23.803 19.797 1.00 18.93 O ATOM 2176 CB CYS B 779 4.747 22.761 18.616 1.00 18.82 C ATOM 2177 SG CYS B 779 5.776 22.849 17.119 1.00 21.57 S ATOM 0 H CYS B 779 5.922 24.624 19.755 1.00 16.32 H new ATOM 0 HA CYS B 779 3.772 24.559 18.279 1.00 17.22 H new ATOM 0 HB2 CYS B 779 5.278 22.398 19.342 1.00 18.82 H new ATOM 0 HB3 CYS B 779 4.018 22.141 18.460 1.00 18.82 H new ATOM 0 HG CYS B 779 6.737 22.142 17.251 1.00 21.57 H new ATOM 2178 N GLU B 780 3.512 23.766 21.415 1.00 16.90 N ATOM 2179 CA GLU B 780 2.569 23.642 22.515 1.00 18.24 C ATOM 2180 C GLU B 780 1.609 24.887 22.576 1.00 17.87 C ATOM 2181 O GLU B 780 0.367 24.742 22.737 1.00 17.72 O ATOM 2182 CB GLU B 780 3.262 23.518 23.835 1.00 18.05 C ATOM 2183 CG GLU B 780 3.778 22.128 24.066 1.00 20.07 C ATOM 2184 CD GLU B 780 4.903 22.003 25.081 1.00 20.96 C ATOM 2185 OE1 GLU B 780 5.437 23.027 25.543 1.00 21.72 O ATOM 2186 OE2 GLU B 780 5.262 20.806 25.408 1.00 21.41 O ATOM 0 H GLU B 780 4.339 23.752 21.649 1.00 16.90 H new ATOM 0 HA GLU B 780 2.059 22.834 22.347 1.00 18.24 H new ATOM 0 HB2 GLU B 780 3.999 24.147 23.873 1.00 18.05 H new ATOM 0 HB3 GLU B 780 2.648 23.757 24.546 1.00 18.05 H new ATOM 0 HG2 GLU B 780 3.039 21.570 24.356 1.00 20.07 H new ATOM 0 HG3 GLU B 780 4.087 21.771 23.219 1.00 20.07 H new ATOM 2187 N PHE B 781 2.189 26.048 22.334 1.00 18.24 N ATOM 2188 CA PHE B 781 1.396 27.297 22.338 1.00 19.50 C ATOM 2189 C PHE B 781 0.478 27.366 21.169 1.00 19.51 C ATOM 2190 O PHE B 781 -0.718 27.752 21.301 1.00 17.41 O ATOM 2191 CB PHE B 781 2.347 28.461 22.378 1.00 21.89 C ATOM 2192 CG PHE B 781 1.677 29.793 22.519 1.00 21.92 C ATOM 2193 CD1 PHE B 781 0.775 30.037 23.558 1.00 22.90 C ATOM 2194 CD2 PHE B 781 1.996 30.839 21.640 1.00 23.44 C ATOM 2195 CE1 PHE B 781 0.176 31.327 23.730 1.00 24.97 C ATOM 2196 CE2 PHE B 781 1.424 32.086 21.804 1.00 26.21 C ATOM 2197 CZ PHE B 781 0.500 32.337 22.851 1.00 26.77 C ATOM 0 H PHE B 781 3.026 26.150 22.166 1.00 18.24 H new ATOM 0 HA PHE B 781 0.827 27.321 23.123 1.00 19.50 H new ATOM 0 HB2 PHE B 781 2.962 28.339 23.118 1.00 21.89 H new ATOM 0 HB3 PHE B 781 2.878 28.461 21.566 1.00 21.89 H new ATOM 0 HD1 PHE B 781 0.560 29.351 24.148 1.00 22.90 H new ATOM 0 HD2 PHE B 781 2.595 30.692 20.944 1.00 23.44 H new ATOM 0 HE1 PHE B 781 -0.423 31.480 24.425 1.00 24.97 H new ATOM 0 HE2 PHE B 781 1.648 32.772 21.218 1.00 26.21 H new ATOM 0 HZ PHE B 781 0.115 33.179 22.943 1.00 26.77 H new ATOM 2198 N LEU B 782 0.974 26.952 19.999 1.00 16.87 N ATOM 2199 CA LEU B 782 0.121 26.838 18.834 1.00 20.02 C ATOM 2200 C LEU B 782 -1.060 25.920 19.033 1.00 19.52 C ATOM 2201 O LEU B 782 -2.221 26.204 18.634 1.00 19.10 O ATOM 2202 CB LEU B 782 0.976 26.465 17.606 1.00 20.08 C ATOM 2203 CG LEU B 782 0.327 26.289 16.276 1.00 22.03 C ATOM 2204 CD1 LEU B 782 -0.619 27.442 15.867 1.00 25.96 C ATOM 2205 CD2 LEU B 782 1.488 26.167 15.267 1.00 22.45 C ATOM 0 H LEU B 782 1.796 26.736 19.868 1.00 16.87 H new ATOM 0 HA LEU B 782 -0.284 27.705 18.677 1.00 20.02 H new ATOM 0 HB2 LEU B 782 1.655 27.150 17.508 1.00 20.08 H new ATOM 0 HB3 LEU B 782 1.436 25.637 17.815 1.00 20.08 H new ATOM 0 HG LEU B 782 -0.247 25.507 16.302 1.00 22.03 H new ATOM 0 HD11 LEU B 782 -1.000 27.254 14.995 1.00 25.96 H new ATOM 0 HD12 LEU B 782 -1.332 27.523 16.520 1.00 25.96 H new ATOM 0 HD13 LEU B 782 -0.120 28.273 15.829 1.00 25.96 H new ATOM 0 HD21 LEU B 782 1.129 26.049 14.373 1.00 22.45 H new ATOM 0 HD22 LEU B 782 2.027 26.973 15.295 1.00 22.45 H new ATOM 0 HD23 LEU B 782 2.038 25.402 15.497 1.00 22.45 H new ATOM 2206 N LEU B 783 -0.790 24.732 19.581 1.00 18.52 N ATOM 2207 CA LEU B 783 -1.889 23.783 19.842 1.00 17.53 C ATOM 2208 C LEU B 783 -2.946 24.411 20.817 1.00 16.32 C ATOM 2209 O LEU B 783 -4.188 24.318 20.618 1.00 15.49 O ATOM 2210 CB LEU B 783 -1.339 22.497 20.468 1.00 16.05 C ATOM 2211 CG LEU B 783 -2.333 21.391 20.764 1.00 17.51 C ATOM 2212 CD1 LEU B 783 -3.137 21.004 19.525 1.00 17.68 C ATOM 2213 CD2 LEU B 783 -1.575 20.185 21.313 1.00 18.76 C ATOM 0 H LEU B 783 -0.006 24.458 19.804 1.00 18.52 H new ATOM 0 HA LEU B 783 -2.316 23.580 18.995 1.00 17.53 H new ATOM 0 HB2 LEU B 783 -0.660 22.140 19.874 1.00 16.05 H new ATOM 0 HB3 LEU B 783 -0.895 22.732 21.298 1.00 16.05 H new ATOM 0 HG LEU B 783 -2.970 21.711 21.422 1.00 17.51 H new ATOM 0 HD11 LEU B 783 -3.760 20.296 19.752 1.00 17.68 H new ATOM 0 HD12 LEU B 783 -3.628 21.776 19.203 1.00 17.68 H new ATOM 0 HD13 LEU B 783 -2.534 20.693 18.832 1.00 17.68 H new ATOM 0 HD21 LEU B 783 -2.201 19.470 21.507 1.00 18.76 H new ATOM 0 HD22 LEU B 783 -0.930 19.881 20.655 1.00 18.76 H new ATOM 0 HD23 LEU B 783 -1.111 20.437 22.127 1.00 18.76 H new ATOM 2214 N LEU B 784 -2.425 25.012 21.886 1.00 17.67 N ATOM 2215 CA LEU B 784 -3.270 25.758 22.886 1.00 17.38 C ATOM 2216 C LEU B 784 -4.109 26.827 22.224 1.00 18.78 C ATOM 2217 O LEU B 784 -5.271 26.932 22.525 1.00 20.16 O ATOM 2218 CB LEU B 784 -2.481 26.333 24.030 1.00 17.72 C ATOM 2219 CG LEU B 784 -3.290 27.136 25.088 1.00 18.03 C ATOM 2220 CD1 LEU B 784 -2.729 26.923 26.460 1.00 19.23 C ATOM 2221 CD2 LEU B 784 -3.236 28.655 24.848 1.00 18.58 C ATOM 0 H LEU B 784 -1.585 25.011 22.069 1.00 17.67 H new ATOM 0 HA LEU B 784 -3.864 25.093 23.268 1.00 17.38 H new ATOM 0 HB2 LEU B 784 -2.026 25.606 24.482 1.00 17.72 H new ATOM 0 HB3 LEU B 784 -1.795 26.914 23.666 1.00 17.72 H new ATOM 0 HG LEU B 784 -4.202 26.814 25.010 1.00 18.03 H new ATOM 0 HD11 LEU B 784 -3.247 27.431 27.104 1.00 19.23 H new ATOM 0 HD12 LEU B 784 -2.771 25.980 26.684 1.00 19.23 H new ATOM 0 HD13 LEU B 784 -1.806 27.219 26.482 1.00 19.23 H new ATOM 0 HD21 LEU B 784 -3.754 29.109 25.531 1.00 18.58 H new ATOM 0 HD22 LEU B 784 -2.315 28.956 24.887 1.00 18.58 H new ATOM 0 HD23 LEU B 784 -3.606 28.858 23.974 1.00 18.58 H new ATOM 2222 N LYS B 785 -3.569 27.579 21.277 1.00 19.53 N ATOM 2223 CA LYS B 785 -4.402 28.578 20.529 1.00 20.36 C ATOM 2224 C LYS B 785 -5.541 27.991 19.773 1.00 19.92 C ATOM 2225 O LYS B 785 -6.626 28.577 19.699 1.00 19.34 O ATOM 2226 CB LYS B 785 -3.559 29.494 19.616 1.00 21.78 C ATOM 2227 CG LYS B 785 -2.535 30.363 20.311 1.00 26.20 C ATOM 2228 CD LYS B 785 -3.043 31.405 21.274 1.00 30.97 C ATOM 2229 CE LYS B 785 -4.021 32.376 20.682 1.00 35.79 C ATOM 2230 NZ LYS B 785 -3.350 33.543 20.084 1.00 44.26 N ATOM 0 H LYS B 785 -2.743 27.545 21.040 1.00 19.53 H new ATOM 0 HA LYS B 785 -4.793 29.123 21.230 1.00 20.36 H new ATOM 0 HB2 LYS B 785 -3.099 28.939 18.967 1.00 21.78 H new ATOM 0 HB3 LYS B 785 -4.162 30.070 19.120 1.00 21.78 H new ATOM 0 HG2 LYS B 785 -1.927 29.781 20.793 1.00 26.20 H new ATOM 0 HG3 LYS B 785 -2.014 30.815 19.629 1.00 26.20 H new ATOM 0 HD2 LYS B 785 -3.463 30.957 22.025 1.00 30.97 H new ATOM 0 HD3 LYS B 785 -2.287 31.900 21.626 1.00 30.97 H new ATOM 0 HE2 LYS B 785 -4.551 31.927 20.005 1.00 35.79 H new ATOM 0 HE3 LYS B 785 -4.635 32.675 21.371 1.00 35.79 H new ATOM 0 HZ1 LYS B 785 -3.914 34.231 20.062 1.00 44.26 H new ATOM 0 HZ2 LYS B 785 -2.638 33.759 20.572 1.00 44.26 H new ATOM 0 HZ3 LYS B 785 -3.092 33.345 19.256 1.00 44.26 H new ATOM 2231 N VAL B 786 -5.377 26.808 19.218 1.00 20.21 N ATOM 2232 CA VAL B 786 -6.462 26.131 18.599 1.00 18.91 C ATOM 2233 C VAL B 786 -7.533 25.718 19.619 1.00 20.06 C ATOM 2234 O VAL B 786 -8.740 25.907 19.368 1.00 19.24 O ATOM 2235 CB VAL B 786 -5.977 24.930 17.757 1.00 19.81 C ATOM 2236 CG1 VAL B 786 -7.136 24.126 17.231 1.00 18.30 C ATOM 2237 CG2 VAL B 786 -5.081 25.428 16.608 1.00 21.85 C ATOM 0 H VAL B 786 -4.629 26.384 19.195 1.00 20.21 H new ATOM 0 HA VAL B 786 -6.880 26.758 17.988 1.00 18.91 H new ATOM 0 HB VAL B 786 -5.457 24.343 18.327 1.00 19.81 H new ATOM 0 HG11 VAL B 786 -6.802 23.381 16.708 1.00 18.30 H new ATOM 0 HG12 VAL B 786 -7.660 23.789 17.974 1.00 18.30 H new ATOM 0 HG13 VAL B 786 -7.693 24.689 16.672 1.00 18.30 H new ATOM 0 HG21 VAL B 786 -4.779 24.671 16.082 1.00 21.85 H new ATOM 0 HG22 VAL B 786 -5.586 26.033 16.043 1.00 21.85 H new ATOM 0 HG23 VAL B 786 -4.313 25.894 16.975 1.00 21.85 H new ATOM 2238 N TYR B 787 -7.130 25.103 20.740 1.00 17.76 N ATOM 2239 CA TYR B 787 -8.074 24.743 21.806 1.00 18.36 C ATOM 2240 C TYR B 787 -8.835 25.966 22.369 1.00 18.19 C ATOM 2241 O TYR B 787 -9.987 25.788 22.831 1.00 21.55 O ATOM 2242 CB TYR B 787 -7.357 24.003 22.979 1.00 18.85 C ATOM 2243 CG TYR B 787 -7.128 22.533 22.830 1.00 18.73 C ATOM 2244 CD1 TYR B 787 -8.129 21.621 23.053 1.00 19.61 C ATOM 2245 CD2 TYR B 787 -5.886 22.039 22.490 1.00 18.90 C ATOM 2246 CE1 TYR B 787 -7.907 20.236 22.961 1.00 20.26 C ATOM 2247 CE2 TYR B 787 -5.671 20.695 22.370 1.00 18.92 C ATOM 2248 CZ TYR B 787 -6.657 19.803 22.657 1.00 19.22 C ATOM 2249 OH TYR B 787 -6.375 18.477 22.589 1.00 18.31 O ATOM 0 H TYR B 787 -6.314 24.886 20.901 1.00 17.76 H new ATOM 0 HA TYR B 787 -8.720 24.148 21.394 1.00 18.36 H new ATOM 0 HB2 TYR B 787 -6.496 24.427 23.119 1.00 18.85 H new ATOM 0 HB3 TYR B 787 -7.878 24.145 23.785 1.00 18.85 H new ATOM 0 HD1 TYR B 787 -8.979 21.928 23.271 1.00 19.61 H new ATOM 0 HD2 TYR B 787 -5.184 22.630 22.340 1.00 18.90 H new ATOM 0 HE1 TYR B 787 -8.599 19.632 23.105 1.00 20.26 H new ATOM 0 HE2 TYR B 787 -4.840 20.386 22.089 1.00 18.92 H new ATOM 0 HH TYR B 787 -6.958 18.044 23.011 1.00 18.31 H new ATOM 2250 N CYS B 788 -8.262 27.159 22.261 1.00 17.29 N ATOM 2251 CA CYS B 788 -8.925 28.374 22.726 1.00 20.72 C ATOM 2252 C CYS B 788 -10.201 28.685 21.959 1.00 22.80 C ATOM 2253 O CYS B 788 -11.086 29.315 22.502 1.00 26.07 O ATOM 2254 CB CYS B 788 -8.017 29.593 22.719 1.00 20.07 C ATOM 2255 SG CYS B 788 -6.761 29.605 24.035 1.00 22.43 S ATOM 0 H CYS B 788 -7.484 27.288 21.919 1.00 17.29 H new ATOM 0 HA CYS B 788 -9.161 28.180 23.647 1.00 20.72 H new ATOM 0 HB2 CYS B 788 -7.570 29.644 21.860 1.00 20.07 H new ATOM 0 HB3 CYS B 788 -8.564 30.390 22.802 1.00 20.07 H new ATOM 0 HG CYS B 788 -5.984 28.708 23.856 1.00 22.43 H new ATOM 2256 N ASP B 789 -10.302 28.236 20.709 1.00 20.96 N ATOM 2257 CA ASP B 789 -11.505 28.444 19.933 1.00 22.82 C ATOM 2258 C ASP B 789 -12.563 27.478 20.314 1.00 21.76 C ATOM 2259 O ASP B 789 -12.305 26.320 20.388 1.00 18.99 O ATOM 2260 CB ASP B 789 -11.191 28.341 18.425 1.00 23.85 C ATOM 2261 CG ASP B 789 -12.282 29.004 17.585 1.00 26.96 C ATOM 2262 OD1 ASP B 789 -13.349 28.406 17.417 1.00 24.21 O ATOM 2263 OD2 ASP B 789 -12.079 30.184 17.262 1.00 28.89 O ATOM 0 H ASP B 789 -9.680 27.808 20.297 1.00 20.96 H new ATOM 0 HA ASP B 789 -11.837 29.335 20.123 1.00 22.82 H new ATOM 0 HB2 ASP B 789 -10.337 28.762 18.241 1.00 23.85 H new ATOM 0 HB3 ASP B 789 -11.107 27.408 18.173 1.00 23.85 H new ATOM 2264 N SER B 790 -13.818 27.918 20.529 1.00 22.13 N ATOM 2265 CA SER B 790 -14.816 26.992 21.020 1.00 22.80 C ATOM 2266 C SER B 790 -15.101 25.942 19.955 1.00 21.94 C ATOM 2267 O SER B 790 -15.540 24.840 20.286 1.00 23.34 O ATOM 2268 CB SER B 790 -16.132 27.726 21.358 1.00 26.88 C ATOM 2269 OG SER B 790 -16.486 28.359 20.110 1.00 32.34 O ATOM 0 H SER B 790 -14.091 28.723 20.398 1.00 22.13 H new ATOM 0 HA SER B 790 -14.472 26.574 21.825 1.00 22.80 H new ATOM 0 HB2 SER B 790 -16.820 27.110 21.655 1.00 26.88 H new ATOM 0 HB3 SER B 790 -16.008 28.376 22.067 1.00 26.88 H new ATOM 0 HG SER B 790 -16.325 29.182 20.158 1.00 32.34 H new ATOM 2270 N LYS B 791 -14.852 26.220 18.661 1.00 21.23 N ATOM 2271 CA LYS B 791 -15.133 25.217 17.631 1.00 20.71 C ATOM 2272 C LYS B 791 -14.114 24.055 17.649 1.00 22.52 C ATOM 2273 O LYS B 791 -14.292 23.011 16.991 1.00 21.55 O ATOM 2274 CB LYS B 791 -15.088 25.896 16.241 1.00 23.24 C ATOM 2275 CG LYS B 791 -16.228 26.901 15.960 1.00 26.09 C ATOM 2276 CD LYS B 791 -15.896 27.859 14.802 1.00 29.83 C ATOM 2277 CE LYS B 791 -17.050 28.798 14.508 1.00 31.76 C ATOM 2278 NZ LYS B 791 -18.170 28.127 13.771 1.00 33.55 N ATOM 0 H LYS B 791 -14.530 26.963 18.371 1.00 21.23 H new ATOM 0 HA LYS B 791 -16.011 24.846 17.814 1.00 20.71 H new ATOM 0 HB2 LYS B 791 -14.240 26.358 16.150 1.00 23.24 H new ATOM 0 HB3 LYS B 791 -15.110 25.206 15.559 1.00 23.24 H new ATOM 0 HG2 LYS B 791 -17.040 26.414 15.750 1.00 26.09 H new ATOM 0 HG3 LYS B 791 -16.406 27.417 16.762 1.00 26.09 H new ATOM 0 HD2 LYS B 791 -15.106 28.376 15.025 1.00 29.83 H new ATOM 0 HD3 LYS B 791 -15.685 27.346 14.007 1.00 29.83 H new ATOM 0 HE2 LYS B 791 -17.388 29.160 15.342 1.00 31.76 H new ATOM 0 HE3 LYS B 791 -16.727 29.548 13.984 1.00 31.76 H new ATOM 0 HZ1 LYS B 791 -18.760 28.738 13.507 1.00 33.55 H new ATOM 0 HZ2 LYS B 791 -17.845 27.702 13.059 1.00 33.55 H new ATOM 0 HZ3 LYS B 791 -18.570 27.541 14.308 1.00 33.55 H new ATOM 2279 N SER B 792 -13.041 24.224 18.403 1.00 21.94 N ATOM 2280 CA SER B 792 -12.100 23.092 18.619 1.00 19.94 C ATOM 2281 C SER B 792 -12.780 21.847 19.186 1.00 21.90 C ATOM 2282 O SER B 792 -12.229 20.704 19.041 1.00 21.84 O ATOM 2283 CB SER B 792 -10.919 23.514 19.504 1.00 21.17 C ATOM 2284 OG SER B 792 -11.297 23.776 20.846 1.00 19.97 O ATOM 0 H SER B 792 -12.828 24.958 18.797 1.00 21.94 H new ATOM 0 HA SER B 792 -11.763 22.851 17.742 1.00 19.94 H new ATOM 0 HB2 SER B 792 -10.247 22.814 19.493 1.00 21.17 H new ATOM 0 HB3 SER B 792 -10.508 24.308 19.128 1.00 21.17 H new ATOM 0 HG SER B 792 -11.637 24.543 20.897 1.00 19.97 H new ATOM 2285 N CYS B 793 -14.009 21.990 19.749 1.00 21.70 N ATOM 2286 CA CYS B 793 -14.652 20.853 20.381 1.00 24.00 C ATOM 2287 C CYS B 793 -14.906 19.730 19.399 1.00 22.16 C ATOM 2288 O CYS B 793 -14.830 18.543 19.785 1.00 23.61 O ATOM 2289 CB CYS B 793 -15.975 21.280 21.128 1.00 27.40 C ATOM 2290 SG CYS B 793 -17.258 21.815 20.006 1.00 29.28 S ATOM 0 H CYS B 793 -14.460 22.722 19.766 1.00 21.70 H new ATOM 0 HA CYS B 793 -14.037 20.512 21.049 1.00 24.00 H new ATOM 0 HB2 CYS B 793 -16.301 20.533 21.653 1.00 27.40 H new ATOM 0 HB3 CYS B 793 -15.774 21.997 21.749 1.00 27.40 H new ATOM 0 HG CYS B 793 -18.234 22.123 20.632 1.00 29.28 H new ATOM 2291 N PHE B 794 -15.126 20.099 18.109 1.00 19.23 N ATOM 2292 CA PHE B 794 -15.425 19.154 17.084 1.00 18.47 C ATOM 2293 C PHE B 794 -14.240 18.270 16.707 1.00 20.39 C ATOM 2294 O PHE B 794 -14.447 17.207 16.130 1.00 21.41 O ATOM 2295 CB PHE B 794 -15.992 19.821 15.822 1.00 22.08 C ATOM 2296 CG PHE B 794 -17.317 20.600 16.059 1.00 21.35 C ATOM 2297 CD1 PHE B 794 -18.476 19.910 16.321 1.00 21.22 C ATOM 2298 CD2 PHE B 794 -17.360 21.989 15.966 1.00 20.94 C ATOM 2299 CE1 PHE B 794 -19.703 20.568 16.480 1.00 21.03 C ATOM 2300 CE2 PHE B 794 -18.575 22.679 16.171 1.00 23.00 C ATOM 2301 CZ PHE B 794 -19.746 21.960 16.425 1.00 21.43 C ATOM 0 H PHE B 794 -15.098 20.914 17.837 1.00 19.23 H new ATOM 0 HA PHE B 794 -16.107 18.582 17.470 1.00 18.47 H new ATOM 0 HB2 PHE B 794 -15.328 20.431 15.464 1.00 22.08 H new ATOM 0 HB3 PHE B 794 -16.144 19.140 15.148 1.00 22.08 H new ATOM 0 HD1 PHE B 794 -18.445 18.983 16.395 1.00 21.22 H new ATOM 0 HD2 PHE B 794 -16.585 22.464 15.768 1.00 20.94 H new ATOM 0 HE1 PHE B 794 -20.482 20.080 16.621 1.00 21.03 H new ATOM 0 HE2 PHE B 794 -18.596 23.608 16.137 1.00 23.00 H new ATOM 0 HZ PHE B 794 -20.550 22.408 16.557 1.00 21.43 H new ATOM 2302 N PHE B 795 -13.042 18.733 17.013 1.00 21.06 N ATOM 2303 CA PHE B 795 -11.801 18.104 16.579 1.00 19.01 C ATOM 2304 C PHE B 795 -10.994 17.497 17.736 1.00 22.47 C ATOM 2305 O PHE B 795 -9.881 17.048 17.471 1.00 21.29 O ATOM 2306 CB PHE B 795 -11.002 19.163 15.875 1.00 20.47 C ATOM 2307 CG PHE B 795 -11.745 19.724 14.708 1.00 23.27 C ATOM 2308 CD1 PHE B 795 -11.943 18.938 13.604 1.00 22.52 C ATOM 2309 CD2 PHE B 795 -12.313 21.005 14.757 1.00 24.06 C ATOM 2310 CE1 PHE B 795 -12.664 19.409 12.504 1.00 25.16 C ATOM 2311 CE2 PHE B 795 -13.055 21.459 13.677 1.00 25.17 C ATOM 2312 CZ PHE B 795 -13.215 20.672 12.550 1.00 23.96 C ATOM 0 H PHE B 795 -12.921 19.438 17.490 1.00 21.06 H new ATOM 0 HA PHE B 795 -12.008 17.359 15.994 1.00 19.01 H new ATOM 0 HB2 PHE B 795 -10.789 19.876 16.497 1.00 20.47 H new ATOM 0 HB3 PHE B 795 -10.160 18.788 15.574 1.00 20.47 H new ATOM 0 HD1 PHE B 795 -11.592 18.077 13.586 1.00 22.52 H new ATOM 0 HD2 PHE B 795 -12.193 21.544 15.505 1.00 24.06 H new ATOM 0 HE1 PHE B 795 -12.771 18.877 11.749 1.00 25.16 H new ATOM 0 HE2 PHE B 795 -13.449 22.301 13.710 1.00 25.17 H new ATOM 0 HZ PHE B 795 -13.695 20.996 11.822 1.00 23.96 H new ATOM 2313 N ALA B 796 -11.498 17.579 18.974 1.00 22.17 N ATOM 2314 CA ALA B 796 -10.703 17.261 20.203 1.00 22.79 C ATOM 2315 C ALA B 796 -10.549 15.771 20.414 1.00 21.53 C ATOM 2316 O ALA B 796 -9.437 15.327 20.699 1.00 21.97 O ATOM 2317 CB ALA B 796 -11.316 17.892 21.474 1.00 24.00 C ATOM 0 H ALA B 796 -12.307 17.819 19.138 1.00 22.17 H new ATOM 0 HA ALA B 796 -9.826 17.648 20.053 1.00 22.79 H new ATOM 0 HB1 ALA B 796 -10.773 17.662 22.244 1.00 24.00 H new ATOM 0 HB2 ALA B 796 -11.345 18.857 21.375 1.00 24.00 H new ATOM 0 HB3 ALA B 796 -12.216 17.554 21.602 1.00 24.00 H new ATOM 2318 N SER B 797 -11.639 15.005 20.317 1.00 22.41 N ATOM 2319 CA SER B 797 -11.665 13.583 20.568 1.00 23.99 C ATOM 2320 C SER B 797 -11.652 12.778 19.298 1.00 25.35 C ATOM 2321 O SER B 797 -11.843 13.323 18.221 1.00 22.96 O ATOM 2322 CB SER B 797 -12.946 13.216 21.364 1.00 28.07 C ATOM 2323 OG SER B 797 -12.870 13.935 22.563 1.00 33.07 O ATOM 0 H SER B 797 -12.407 15.321 20.094 1.00 22.41 H new ATOM 0 HA SER B 797 -10.865 13.370 21.074 1.00 23.99 H new ATOM 0 HB2 SER B 797 -13.744 13.453 20.867 1.00 28.07 H new ATOM 0 HB3 SER B 797 -12.989 12.262 21.533 1.00 28.07 H new ATOM 0 HG SER B 797 -13.547 13.770 23.032 1.00 33.07 H new ATOM 2324 N GLU B 798 -11.506 11.464 19.446 1.00 26.12 N ATOM 2325 CA GLU B 798 -11.491 10.549 18.309 1.00 28.18 C ATOM 2326 C GLU B 798 -12.819 10.666 17.527 1.00 34.08 C ATOM 2327 O GLU B 798 -13.915 10.558 18.103 1.00 32.18 O ATOM 2328 CB GLU B 798 -11.326 9.135 18.795 1.00 32.05 C ATOM 2329 CG GLU B 798 -10.981 8.120 17.726 1.00 40.43 C ATOM 2330 CD GLU B 798 -10.588 6.764 18.309 1.00 42.32 C ATOM 2331 OE1 GLU B 798 -10.191 5.909 17.524 1.00 51.16 O ATOM 2332 OE2 GLU B 798 -10.664 6.545 19.537 1.00 45.60 O ATOM 0 H GLU B 798 -11.413 11.078 20.209 1.00 26.12 H new ATOM 0 HA GLU B 798 -10.750 10.781 17.728 1.00 28.18 H new ATOM 0 HB2 GLU B 798 -10.631 9.120 19.471 1.00 32.05 H new ATOM 0 HB3 GLU B 798 -12.149 8.859 19.228 1.00 32.05 H new ATOM 0 HG2 GLU B 798 -11.742 8.006 17.135 1.00 40.43 H new ATOM 0 HG3 GLU B 798 -10.251 8.460 17.186 1.00 40.43 H new ATOM 2333 N PRO B 799 -12.742 10.950 16.231 1.00 35.30 N ATOM 2334 CA PRO B 799 -14.020 11.050 15.544 1.00 41.34 C ATOM 2335 C PRO B 799 -14.654 9.680 15.291 1.00 42.02 C ATOM 2336 O PRO B 799 -13.957 8.653 15.204 1.00 34.43 O ATOM 2337 CB PRO B 799 -13.665 11.749 14.219 1.00 42.50 C ATOM 2338 CG PRO B 799 -12.238 11.506 14.017 1.00 39.60 C ATOM 2339 CD PRO B 799 -11.626 11.384 15.389 1.00 38.86 C ATOM 0 HA PRO B 799 -14.678 11.533 16.068 1.00 41.34 H new ATOM 0 HB2 PRO B 799 -14.187 11.390 13.485 1.00 42.50 H new ATOM 0 HB3 PRO B 799 -13.854 12.699 14.264 1.00 42.50 H new ATOM 0 HG2 PRO B 799 -12.095 10.696 13.502 1.00 39.60 H new ATOM 0 HG3 PRO B 799 -11.831 12.233 13.521 1.00 39.60 H new ATOM 0 HD2 PRO B 799 -10.901 10.740 15.399 1.00 38.86 H new ATOM 0 HD3 PRO B 799 -11.259 12.229 15.692 1.00 38.86 H new ATOM 2340 N TYR B 800 -15.982 9.707 15.219 1.00 49.90 N ATOM 2341 CA TYR B 800 -16.757 8.583 14.726 1.00 55.16 C ATOM 2342 C TYR B 800 -17.015 8.790 13.214 1.00 58.64 C ATOM 2343 O TYR B 800 -17.444 9.889 12.762 1.00 49.81 O ATOM 2344 CB TYR B 800 -18.077 8.527 15.460 1.00 59.31 C ATOM 2345 CG TYR B 800 -18.921 7.391 14.996 1.00 73.79 C ATOM 2346 CD1 TYR B 800 -18.551 6.082 15.284 1.00 80.59 C ATOM 2347 CD2 TYR B 800 -20.088 7.614 14.252 1.00 86.83 C ATOM 2348 CE1 TYR B 800 -19.321 5.018 14.863 1.00 89.75 C ATOM 2349 CE2 TYR B 800 -20.868 6.554 13.817 1.00 93.96 C ATOM 2350 CZ TYR B 800 -20.477 5.255 14.125 1.00 97.21 C ATOM 2351 OH TYR B 800 -21.244 4.199 13.705 1.00105.99 O ATOM 0 H TYR B 800 -16.457 10.383 15.457 1.00 49.90 H new ATOM 0 HA TYR B 800 -16.275 7.754 14.870 1.00 55.16 H new ATOM 0 HB2 TYR B 800 -17.914 8.441 16.412 1.00 59.31 H new ATOM 0 HB3 TYR B 800 -18.556 9.360 15.328 1.00 59.31 H new ATOM 0 HD1 TYR B 800 -17.773 5.922 15.768 1.00 80.59 H new ATOM 0 HD2 TYR B 800 -20.342 8.485 14.048 1.00 86.83 H new ATOM 0 HE1 TYR B 800 -19.069 4.147 15.071 1.00 89.75 H new ATOM 0 HE2 TYR B 800 -21.642 6.709 13.326 1.00 93.96 H new ATOM 0 HH TYR B 800 -21.906 4.487 13.275 1.00105.99 H new ATOM 2352 N TYR B 801 -16.761 7.755 12.426 1.00 53.60 N ATOM 2353 CA TYR B 801 -17.052 7.850 11.007 1.00 54.95 C ATOM 2354 C TYR B 801 -18.119 6.805 10.550 1.00 60.90 C ATOM 2355 O TYR B 801 -19.344 7.060 10.672 1.00 55.67 O ATOM 2356 CB TYR B 801 -15.757 7.750 10.214 1.00 47.21 C ATOM 2357 CG TYR B 801 -14.839 8.903 10.364 1.00 41.48 C ATOM 2358 CD1 TYR B 801 -15.268 10.222 10.171 1.00 35.94 C ATOM 2359 CD2 TYR B 801 -13.519 8.686 10.700 1.00 45.96 C ATOM 2360 CE1 TYR B 801 -14.387 11.279 10.282 1.00 37.48 C ATOM 2361 CE2 TYR B 801 -12.638 9.747 10.829 1.00 42.93 C ATOM 2362 CZ TYR B 801 -13.089 11.020 10.613 1.00 35.49 C ATOM 2363 OH TYR B 801 -12.184 11.998 10.768 1.00 40.58 O ATOM 0 H TYR B 801 -16.428 7.006 12.686 1.00 53.60 H new ATOM 0 HA TYR B 801 -17.451 8.716 10.830 1.00 54.95 H new ATOM 0 HB2 TYR B 801 -15.289 6.944 10.485 1.00 47.21 H new ATOM 0 HB3 TYR B 801 -15.976 7.649 9.275 1.00 47.21 H new ATOM 0 HD1 TYR B 801 -16.160 10.388 9.965 1.00 35.94 H new ATOM 0 HD2 TYR B 801 -13.217 7.818 10.841 1.00 45.96 H new ATOM 0 HE1 TYR B 801 -14.673 12.151 10.134 1.00 37.48 H new ATOM 0 HE2 TYR B 801 -11.750 9.596 11.060 1.00 42.93 H new ATOM 0 HH TYR B 801 -12.389 12.650 10.279 1.00 40.58 H new ATOM 2364 N ASN B 802 -17.630 5.670 10.032 1.00 66.28 N ATOM 2365 CA ASN B 802 -18.410 4.553 9.517 1.00 70.22 C ATOM 2366 C ASN B 802 -18.049 3.379 10.441 1.00 83.70 C ATOM 2367 O ASN B 802 -17.055 2.694 10.180 1.00 97.53 O ATOM 2368 CB ASN B 802 -17.976 4.196 8.048 1.00 63.19 C ATOM 2369 CG ASN B 802 -17.952 5.405 7.077 1.00 48.27 C ATOM 2370 OD1 ASN B 802 -18.962 6.051 6.874 1.00 40.91 O ATOM 2371 ND2 ASN B 802 -16.803 5.660 6.433 1.00 42.70 N ATOM 0 H ASN B 802 -16.784 5.531 9.972 1.00 66.28 H new ATOM 0 HA ASN B 802 -19.358 4.756 9.498 1.00 70.22 H new ATOM 0 HB2 ASN B 802 -17.093 3.796 8.071 1.00 63.19 H new ATOM 0 HB3 ASN B 802 -18.582 3.525 7.697 1.00 63.19 H new ATOM 0 HD21 ASN B 802 -16.765 6.297 5.856 1.00 42.70 H new ATOM 0 HD22 ASN B 802 -16.104 5.187 6.597 1.00 42.70 H new ATOM 2372 N ARG B 803 -18.789 3.164 11.532 1.00101.60 N ATOM 2373 CA ARG B 803 -18.467 2.047 12.449 1.00112.59 C ATOM 2374 C ARG B 803 -18.789 0.717 11.772 1.00113.80 C ATOM 2375 O ARG B 803 -19.925 0.537 11.349 1.00117.43 O ATOM 2376 CB ARG B 803 -19.258 2.108 13.750 1.00112.83 C ATOM 0 H ARG B 803 -19.469 3.638 11.762 1.00101.60 H new ATOM 0 HA ARG B 803 -17.523 2.123 12.657 1.00112.59 H new ATOM 2377 N GLU B 804 -17.833 -0.208 11.626 1.00122.49 N ATOM 2378 CA GLU B 804 -16.393 -0.016 11.885 1.00121.95 C ATOM 2379 C GLU B 804 -15.604 -0.702 10.761 1.00121.93 C ATOM 2380 O GLU B 804 -15.382 -0.081 9.715 1.00131.98 O ATOM 2381 CB GLU B 804 -15.995 -0.515 13.286 1.00115.00 C ATOM 0 H GLU B 804 -18.013 -1.006 11.360 1.00122.49 H new ATOM 0 HA GLU B 804 -16.179 0.930 11.883 1.00121.95 H new ATOM 2382 N GLY B 805 -15.215 -1.969 10.943 1.00118.26 N ATOM 2383 CA GLY B 805 -14.314 -2.643 10.003 1.00115.45 C ATOM 2384 C GLY B 805 -13.075 -1.795 9.754 1.00119.32 C ATOM 2385 O GLY B 805 -12.570 -1.146 10.678 1.00127.98 O ATOM 0 H GLY B 805 -15.463 -2.456 11.607 1.00118.26 H new ATOM 0 HA2 GLY B 805 -14.055 -3.508 10.358 1.00115.45 H new ATOM 0 HA3 GLY B 805 -14.775 -2.807 9.165 1.00115.45 H new ATOM 2386 N SER B 806 -12.607 -1.778 8.504 1.00118.23 N ATOM 2387 CA SER B 806 -11.511 -0.892 8.070 1.00111.96 C ATOM 2388 C SER B 806 -11.999 0.412 7.377 1.00107.02 C ATOM 2389 O SER B 806 -11.196 1.098 6.734 1.00108.15 O ATOM 2390 CB SER B 806 -10.541 -1.660 7.148 1.00106.55 C ATOM 0 H SER B 806 -12.915 -2.281 7.878 1.00118.23 H new ATOM 0 HA SER B 806 -11.050 -0.612 8.876 1.00111.96 H new ATOM 2391 N GLN B 807 -13.274 0.792 7.555 1.00 93.88 N ATOM 2392 CA GLN B 807 -13.865 1.932 6.814 1.00 85.16 C ATOM 2393 C GLN B 807 -13.444 3.342 7.304 1.00 70.30 C ATOM 2394 O GLN B 807 -13.978 4.349 6.813 1.00 61.87 O ATOM 2395 CB GLN B 807 -15.405 1.813 6.781 1.00 86.41 C ATOM 0 H GLN B 807 -13.816 0.405 8.099 1.00 93.88 H new ATOM 0 HA GLN B 807 -13.497 1.861 5.919 1.00 85.16 H new ATOM 2396 N GLY B 808 -12.530 3.428 8.281 1.00 59.55 N ATOM 2397 CA GLY B 808 -11.897 4.702 8.641 1.00 51.86 C ATOM 2398 C GLY B 808 -10.882 5.222 7.604 1.00 45.92 C ATOM 2399 O GLY B 808 -10.495 4.512 6.653 1.00 44.59 O ATOM 0 H GLY B 808 -12.264 2.756 8.747 1.00 59.55 H new ATOM 0 HA2 GLY B 808 -12.588 5.371 8.765 1.00 51.86 H new ATOM 0 HA3 GLY B 808 -11.447 4.598 9.494 1.00 51.86 H new ATOM 2400 N PRO B 809 -10.426 6.468 7.785 1.00 38.62 N ATOM 2401 CA PRO B 809 -9.462 7.065 6.862 1.00 39.78 C ATOM 2402 C PRO B 809 -8.081 6.438 7.003 1.00 42.20 C ATOM 2403 O PRO B 809 -7.833 5.672 7.968 1.00 42.36 O ATOM 2404 CB PRO B 809 -9.387 8.549 7.317 1.00 37.82 C ATOM 2405 CG PRO B 809 -9.697 8.485 8.772 1.00 39.01 C ATOM 2406 CD PRO B 809 -10.679 7.336 8.955 1.00 39.67 C ATOM 0 HA PRO B 809 -9.731 6.942 5.938 1.00 39.78 H new ATOM 0 HB2 PRO B 809 -8.509 8.928 7.156 1.00 37.82 H new ATOM 0 HB3 PRO B 809 -10.026 9.101 6.840 1.00 37.82 H new ATOM 0 HG2 PRO B 809 -8.891 8.336 9.290 1.00 39.01 H new ATOM 0 HG3 PRO B 809 -10.082 9.320 9.080 1.00 39.01 H new ATOM 0 HD2 PRO B 809 -10.524 6.864 9.788 1.00 39.67 H new ATOM 0 HD3 PRO B 809 -11.596 7.651 8.973 1.00 39.67 H new ATOM 2407 N GLN B 810 -7.177 6.859 6.120 1.00 44.21 N ATOM 2408 CA GLN B 810 -5.844 6.289 6.089 1.00 51.03 C ATOM 2409 C GLN B 810 -5.154 6.499 7.445 1.00 48.41 C ATOM 2410 O GLN B 810 -4.676 5.524 8.041 1.00 52.58 O ATOM 2411 CB GLN B 810 -5.025 6.870 4.943 1.00 59.93 C ATOM 2412 CG GLN B 810 -3.743 6.095 4.673 1.00 71.73 C ATOM 2413 CD GLN B 810 -2.703 6.946 3.964 1.00 82.98 C ATOM 2414 OE1 GLN B 810 -2.216 7.942 4.514 1.00 87.95 O ATOM 2415 NE2 GLN B 810 -2.357 6.565 2.741 1.00 87.31 N ATOM 0 H GLN B 810 -7.320 7.472 5.534 1.00 44.21 H new ATOM 0 HA GLN B 810 -5.915 5.335 5.930 1.00 51.03 H new ATOM 0 HB2 GLN B 810 -5.566 6.880 4.138 1.00 59.93 H new ATOM 0 HB3 GLN B 810 -4.803 7.792 5.146 1.00 59.93 H new ATOM 0 HG2 GLN B 810 -3.378 5.772 5.512 1.00 71.73 H new ATOM 0 HG3 GLN B 810 -3.945 5.315 4.133 1.00 71.73 H new ATOM 0 HE21 GLN B 810 -2.717 5.867 2.390 1.00 87.31 H new ATOM 0 HE22 GLN B 810 -1.773 7.016 2.299 1.00 87.31 H new ATOM 2416 N LYS B 811 -5.133 7.738 7.939 1.00 34.43 N ATOM 2417 CA LYS B 811 -4.628 8.016 9.290 1.00 33.02 C ATOM 2418 C LYS B 811 -5.605 8.951 10.053 1.00 27.44 C ATOM 2419 O LYS B 811 -5.708 10.121 9.726 1.00 25.32 O ATOM 2420 CB LYS B 811 -3.253 8.649 9.207 1.00 34.18 C ATOM 2421 CG LYS B 811 -2.585 8.878 10.557 1.00 37.82 C ATOM 2422 CD LYS B 811 -1.185 9.423 10.311 1.00 38.76 C ATOM 2423 CE LYS B 811 -0.497 9.598 11.635 1.00 39.16 C ATOM 2424 NZ LYS B 811 0.791 10.356 11.549 1.00 41.71 N ATOM 0 H LYS B 811 -5.406 8.432 7.510 1.00 34.43 H new ATOM 0 HA LYS B 811 -4.561 7.180 9.777 1.00 33.02 H new ATOM 0 HB2 LYS B 811 -2.680 8.083 8.666 1.00 34.18 H new ATOM 0 HB3 LYS B 811 -3.327 9.499 8.746 1.00 34.18 H new ATOM 0 HG2 LYS B 811 -3.102 9.503 11.088 1.00 37.82 H new ATOM 0 HG3 LYS B 811 -2.542 8.048 11.058 1.00 37.82 H new ATOM 0 HD2 LYS B 811 -0.681 8.814 9.748 1.00 38.76 H new ATOM 0 HD3 LYS B 811 -1.232 10.271 9.842 1.00 38.76 H new ATOM 0 HE2 LYS B 811 -1.095 10.061 12.243 1.00 39.16 H new ATOM 0 HE3 LYS B 811 -0.324 8.724 12.018 1.00 39.16 H new ATOM 0 HZ1 LYS B 811 1.083 10.540 12.369 1.00 41.71 H new ATOM 0 HZ2 LYS B 811 1.397 9.864 11.122 1.00 41.71 H new ATOM 0 HZ3 LYS B 811 0.660 11.116 11.104 1.00 41.71 H new ATOM 2425 N PRO B 812 -6.334 8.415 11.007 1.00 29.26 N ATOM 2426 CA PRO B 812 -7.194 9.282 11.800 1.00 30.43 C ATOM 2427 C PRO B 812 -6.370 10.167 12.752 1.00 29.39 C ATOM 2428 O PRO B 812 -5.279 9.784 13.175 1.00 24.83 O ATOM 2429 CB PRO B 812 -8.086 8.297 12.581 1.00 33.50 C ATOM 2430 CG PRO B 812 -7.429 6.999 12.504 1.00 33.57 C ATOM 2431 CD PRO B 812 -6.584 6.985 11.276 1.00 32.62 C ATOM 0 HA PRO B 812 -7.707 9.900 11.256 1.00 30.43 H new ATOM 0 HB2 PRO B 812 -8.187 8.579 13.504 1.00 33.50 H new ATOM 0 HB3 PRO B 812 -8.976 8.257 12.197 1.00 33.50 H new ATOM 0 HG2 PRO B 812 -6.885 6.847 13.292 1.00 33.57 H new ATOM 0 HG3 PRO B 812 -8.087 6.287 12.472 1.00 33.57 H new ATOM 0 HD2 PRO B 812 -5.757 6.499 11.418 1.00 32.62 H new ATOM 0 HD3 PRO B 812 -7.040 6.557 10.534 1.00 32.62 H new ATOM 2432 N MET B 813 -6.884 11.351 13.038 1.00 24.39 N ATOM 2433 CA MET B 813 -6.174 12.310 13.860 1.00 24.92 C ATOM 2434 C MET B 813 -7.194 13.222 14.573 1.00 25.68 C ATOM 2435 O MET B 813 -8.290 13.535 14.039 1.00 21.79 O ATOM 2436 CB MET B 813 -5.237 13.132 13.021 1.00 21.36 C ATOM 2437 CG MET B 813 -4.138 13.916 13.739 1.00 21.20 C ATOM 2438 SD MET B 813 -3.213 12.984 15.054 1.00 23.43 S ATOM 2439 CE MET B 813 -2.530 11.690 13.981 1.00 28.25 C ATOM 0 H MET B 813 -7.653 11.620 12.761 1.00 24.39 H new ATOM 0 HA MET B 813 -5.648 11.835 14.522 1.00 24.92 H new ATOM 0 HB2 MET B 813 -4.811 12.539 12.382 1.00 21.36 H new ATOM 0 HB3 MET B 813 -5.769 13.763 12.512 1.00 21.36 H new ATOM 0 HG2 MET B 813 -3.501 14.228 13.077 1.00 21.20 H new ATOM 0 HG3 MET B 813 -4.536 14.703 14.143 1.00 21.20 H new ATOM 0 HE1 MET B 813 -1.672 11.400 14.329 1.00 28.25 H new ATOM 0 HE2 MET B 813 -3.139 10.936 13.955 1.00 28.25 H new ATOM 0 HE3 MET B 813 -2.413 12.041 13.084 1.00 28.25 H new ATOM 2440 N TRP B 814 -6.832 13.578 15.798 1.00 21.61 N ATOM 2441 CA TRP B 814 -7.589 14.499 16.579 1.00 22.29 C ATOM 2442 C TRP B 814 -6.695 15.292 17.547 1.00 19.85 C ATOM 2443 O TRP B 814 -5.531 14.957 17.690 1.00 19.10 O ATOM 2444 CB TRP B 814 -8.710 13.733 17.273 1.00 21.46 C ATOM 2445 CG TRP B 814 -8.331 12.608 18.118 1.00 22.28 C ATOM 2446 CD1 TRP B 814 -8.191 12.660 19.446 1.00 26.07 C ATOM 2447 CD2 TRP B 814 -8.035 11.275 17.728 1.00 24.70 C ATOM 2448 NE1 TRP B 814 -7.832 11.442 19.935 1.00 26.71 N ATOM 2449 CE2 TRP B 814 -7.762 10.561 18.897 1.00 26.45 C ATOM 2450 CE3 TRP B 814 -8.023 10.591 16.494 1.00 27.46 C ATOM 2451 CZ2 TRP B 814 -7.433 9.193 18.901 1.00 27.34 C ATOM 2452 CZ3 TRP B 814 -7.699 9.226 16.477 1.00 29.13 C ATOM 2453 CH2 TRP B 814 -7.404 8.539 17.669 1.00 30.05 C ATOM 0 H TRP B 814 -6.128 13.280 16.192 1.00 21.61 H new ATOM 0 HA TRP B 814 -7.990 15.173 16.008 1.00 22.29 H new ATOM 0 HB2 TRP B 814 -9.210 14.361 17.817 1.00 21.46 H new ATOM 0 HB3 TRP B 814 -9.316 13.404 16.590 1.00 21.46 H new ATOM 0 HD1 TRP B 814 -8.321 13.422 19.963 1.00 26.07 H new ATOM 0 HE1 TRP B 814 -7.675 11.259 20.761 1.00 26.71 H new ATOM 0 HE3 TRP B 814 -8.227 11.038 15.704 1.00 27.46 H new ATOM 0 HZ2 TRP B 814 -7.243 8.743 19.692 1.00 27.34 H new ATOM 0 HZ3 TRP B 814 -7.679 8.769 15.667 1.00 29.13 H new ATOM 0 HH2 TRP B 814 -7.186 7.635 17.635 1.00 30.05 H new ATOM 2454 N LEU B 815 -7.222 16.387 18.131 1.00 15.88 N ATOM 2455 CA LEU B 815 -6.395 17.262 18.870 1.00 16.92 C ATOM 2456 C LEU B 815 -5.803 16.620 20.140 1.00 17.99 C ATOM 2457 O LEU B 815 -4.629 16.784 20.394 1.00 17.35 O ATOM 2458 CB LEU B 815 -7.065 18.565 19.214 1.00 16.15 C ATOM 2459 CG LEU B 815 -7.515 19.409 18.009 1.00 16.23 C ATOM 2460 CD1 LEU B 815 -8.470 20.487 18.535 1.00 16.19 C ATOM 2461 CD2 LEU B 815 -6.353 20.152 17.355 1.00 16.98 C ATOM 0 H LEU B 815 -8.051 16.612 18.094 1.00 15.88 H new ATOM 0 HA LEU B 815 -5.660 17.456 18.268 1.00 16.92 H new ATOM 0 HB2 LEU B 815 -7.840 18.378 19.767 1.00 16.15 H new ATOM 0 HB3 LEU B 815 -6.455 19.094 19.751 1.00 16.15 H new ATOM 0 HG LEU B 815 -7.916 18.812 17.359 1.00 16.23 H new ATOM 0 HD11 LEU B 815 -8.773 21.039 17.797 1.00 16.19 H new ATOM 0 HD12 LEU B 815 -9.234 20.064 18.958 1.00 16.19 H new ATOM 0 HD13 LEU B 815 -8.008 21.041 19.183 1.00 16.19 H new ATOM 0 HD21 LEU B 815 -6.682 20.669 16.603 1.00 16.98 H new ATOM 0 HD22 LEU B 815 -5.944 20.748 18.002 1.00 16.98 H new ATOM 0 HD23 LEU B 815 -5.694 19.512 17.044 1.00 16.98 H new ATOM 2462 N ASN B 816 -6.588 15.828 20.837 1.00 17.51 N ATOM 2463 CA ASN B 816 -6.094 15.156 22.001 1.00 18.59 C ATOM 2464 C ASN B 816 -4.960 14.181 21.732 1.00 19.19 C ATOM 2465 O ASN B 816 -4.110 13.995 22.608 1.00 22.15 O ATOM 2466 CB ASN B 816 -7.221 14.472 22.747 1.00 18.51 C ATOM 2467 CG ASN B 816 -8.186 15.456 23.429 1.00 18.04 C ATOM 2468 OD1 ASN B 816 -7.950 16.647 23.560 1.00 20.68 O ATOM 2469 ND2 ASN B 816 -9.281 14.905 23.910 1.00 17.59 N ATOM 0 H ASN B 816 -7.412 15.669 20.648 1.00 17.51 H new ATOM 0 HA ASN B 816 -5.711 15.853 22.557 1.00 18.59 H new ATOM 0 HB2 ASN B 816 -7.720 13.917 22.128 1.00 18.51 H new ATOM 0 HB3 ASN B 816 -6.844 13.881 23.418 1.00 18.51 H new ATOM 0 HD21 ASN B 816 -9.856 15.387 24.331 1.00 17.59 H new ATOM 0 HD22 ASN B 816 -9.422 14.063 23.803 1.00 17.59 H new ATOM 2470 N LYS B 817 -4.950 13.566 20.554 1.00 19.60 N ATOM 2471 CA LYS B 817 -3.887 12.693 20.147 1.00 21.69 C ATOM 2472 C LYS B 817 -2.636 13.515 19.825 1.00 21.49 C ATOM 2473 O LYS B 817 -1.531 13.087 20.180 1.00 19.41 O ATOM 2474 CB LYS B 817 -4.303 11.924 18.934 1.00 23.92 C ATOM 2475 CG LYS B 817 -3.327 10.896 18.504 1.00 29.27 C ATOM 2476 CD LYS B 817 -3.843 10.104 17.337 1.00 32.42 C ATOM 2477 CE LYS B 817 -2.775 9.056 17.047 1.00 43.55 C ATOM 2478 NZ LYS B 817 -2.909 8.432 15.706 1.00 58.74 N ATOM 0 H LYS B 817 -5.574 13.653 19.969 1.00 19.60 H new ATOM 0 HA LYS B 817 -3.689 12.076 20.869 1.00 21.69 H new ATOM 0 HB2 LYS B 817 -5.154 11.494 19.112 1.00 23.92 H new ATOM 0 HB3 LYS B 817 -4.447 12.545 18.203 1.00 23.92 H new ATOM 0 HG2 LYS B 817 -2.490 11.323 18.262 1.00 29.27 H new ATOM 0 HG3 LYS B 817 -3.137 10.298 19.244 1.00 29.27 H new ATOM 0 HD2 LYS B 817 -4.693 9.687 17.547 1.00 32.42 H new ATOM 0 HD3 LYS B 817 -3.990 10.674 16.566 1.00 32.42 H new ATOM 0 HE2 LYS B 817 -1.900 9.468 17.119 1.00 43.55 H new ATOM 0 HE3 LYS B 817 -2.819 8.363 17.724 1.00 43.55 H new ATOM 0 HZ1 LYS B 817 -2.359 7.735 15.646 1.00 58.74 H new ATOM 0 HZ2 LYS B 817 -3.748 8.158 15.588 1.00 58.74 H new ATOM 0 HZ3 LYS B 817 -2.701 9.028 15.079 1.00 58.74 H new ATOM 2479 N VAL B 818 -2.788 14.678 19.183 1.00 19.70 N ATOM 2480 CA VAL B 818 -1.665 15.578 18.991 1.00 20.02 C ATOM 2481 C VAL B 818 -1.127 16.028 20.333 1.00 19.75 C ATOM 2482 O VAL B 818 0.110 16.093 20.537 1.00 19.15 O ATOM 2483 CB VAL B 818 -1.976 16.809 18.108 1.00 19.61 C ATOM 2484 CG1 VAL B 818 -0.759 17.708 17.970 1.00 20.52 C ATOM 2485 CG2 VAL B 818 -2.424 16.349 16.743 1.00 18.66 C ATOM 0 H VAL B 818 -3.533 14.957 18.855 1.00 19.70 H new ATOM 0 HA VAL B 818 -0.997 15.067 18.508 1.00 20.02 H new ATOM 0 HB VAL B 818 -2.683 17.319 18.534 1.00 19.61 H new ATOM 0 HG11 VAL B 818 -0.981 18.470 17.413 1.00 20.52 H new ATOM 0 HG12 VAL B 818 -0.484 18.018 18.847 1.00 20.52 H new ATOM 0 HG13 VAL B 818 -0.033 17.210 17.562 1.00 20.52 H new ATOM 0 HG21 VAL B 818 -2.619 17.121 16.189 1.00 18.66 H new ATOM 0 HG22 VAL B 818 -1.719 15.825 16.330 1.00 18.66 H new ATOM 0 HG23 VAL B 818 -3.222 15.804 16.831 1.00 18.66 H new ATOM 2486 N LYS B 819 -2.013 16.367 21.261 1.00 17.51 N ATOM 2487 CA LYS B 819 -1.555 16.750 22.610 1.00 17.38 C ATOM 2488 C LYS B 819 -0.676 15.644 23.297 1.00 15.78 C ATOM 2489 O LYS B 819 0.443 15.905 23.817 1.00 16.12 O ATOM 2490 CB LYS B 819 -2.752 17.122 23.487 1.00 19.11 C ATOM 2491 CG LYS B 819 -2.379 17.555 24.901 1.00 20.32 C ATOM 2492 CD LYS B 819 -3.551 17.873 25.787 1.00 22.60 C ATOM 2493 CE LYS B 819 -4.052 19.273 25.555 1.00 25.03 C ATOM 2494 NZ LYS B 819 -4.976 19.678 26.695 1.00 29.95 N ATOM 0 H LYS B 819 -2.865 16.385 21.144 1.00 17.51 H new ATOM 0 HA LYS B 819 -0.981 17.525 22.507 1.00 17.38 H new ATOM 0 HB2 LYS B 819 -3.244 17.840 23.059 1.00 19.11 H new ATOM 0 HB3 LYS B 819 -3.351 16.361 23.540 1.00 19.11 H new ATOM 0 HG2 LYS B 819 -1.857 16.850 25.315 1.00 20.32 H new ATOM 0 HG3 LYS B 819 -1.808 18.337 24.847 1.00 20.32 H new ATOM 0 HD2 LYS B 819 -4.266 17.240 25.619 1.00 22.60 H new ATOM 0 HD3 LYS B 819 -3.293 17.770 26.716 1.00 22.60 H new ATOM 0 HE2 LYS B 819 -3.305 19.889 25.497 1.00 25.03 H new ATOM 0 HE3 LYS B 819 -4.525 19.321 24.710 1.00 25.03 H new ATOM 0 HZ1 LYS B 819 -5.318 20.483 26.529 1.00 29.95 H new ATOM 0 HZ2 LYS B 819 -5.636 19.085 26.768 1.00 29.95 H new ATOM 0 HZ3 LYS B 819 -4.515 19.703 27.456 1.00 29.95 H new ATOM 2495 N THR B 820 -1.162 14.423 23.214 1.00 16.05 N ATOM 2496 CA THR B 820 -0.409 13.274 23.793 1.00 20.52 C ATOM 2497 C THR B 820 0.936 13.093 23.070 1.00 18.23 C ATOM 2498 O THR B 820 1.941 12.836 23.725 1.00 19.93 O ATOM 2499 CB THR B 820 -1.276 12.007 23.674 1.00 22.07 C ATOM 2500 OG1 THR B 820 -2.372 12.174 24.566 1.00 23.80 O ATOM 2501 CG2 THR B 820 -0.522 10.764 24.101 1.00 30.24 C ATOM 0 H THR B 820 -1.908 14.218 22.839 1.00 16.05 H new ATOM 0 HA THR B 820 -0.216 13.444 24.728 1.00 20.52 H new ATOM 0 HB THR B 820 -1.548 11.895 22.750 1.00 22.07 H new ATOM 0 HG1 THR B 820 -3.036 11.747 24.278 1.00 23.80 H new ATOM 0 HG21 THR B 820 -1.099 9.989 24.013 1.00 30.24 H new ATOM 0 HG22 THR B 820 0.260 10.650 23.538 1.00 30.24 H new ATOM 0 HG23 THR B 820 -0.244 10.856 25.026 1.00 30.24 H new ATOM 2502 N SER B 821 0.956 13.225 21.746 1.00 18.82 N ATOM 2503 CA SER B 821 2.168 13.016 20.956 1.00 19.34 C ATOM 2504 C SER B 821 3.222 14.053 21.303 1.00 21.81 C ATOM 2505 O SER B 821 4.449 13.717 21.484 1.00 18.74 O ATOM 2506 CB SER B 821 1.909 13.013 19.442 1.00 20.02 C ATOM 2507 OG SER B 821 1.089 11.926 19.091 1.00 19.59 O ATOM 0 H SER B 821 0.266 13.439 21.279 1.00 18.82 H new ATOM 0 HA SER B 821 2.494 12.132 21.188 1.00 19.34 H new ATOM 0 HB2 SER B 821 1.485 13.845 19.178 1.00 20.02 H new ATOM 0 HB3 SER B 821 2.751 12.959 18.963 1.00 20.02 H new ATOM 0 HG SER B 821 0.288 12.111 19.266 1.00 19.59 H new ATOM 2508 N LEU B 822 2.792 15.304 21.479 1.00 20.42 N ATOM 2509 CA LEU B 822 3.716 16.350 21.959 1.00 20.27 C ATOM 2510 C LEU B 822 4.251 16.114 23.342 1.00 20.93 C ATOM 2511 O LEU B 822 5.420 16.298 23.590 1.00 22.91 O ATOM 2512 CB LEU B 822 3.036 17.729 22.052 1.00 22.64 C ATOM 2513 CG LEU B 822 3.059 18.687 20.920 1.00 23.41 C ATOM 2514 CD1 LEU B 822 2.262 19.976 21.287 1.00 19.92 C ATOM 2515 CD2 LEU B 822 4.523 19.066 20.497 1.00 21.21 C ATOM 0 H LEU B 822 1.987 15.569 21.331 1.00 20.42 H new ATOM 0 HA LEU B 822 4.429 16.321 21.302 1.00 20.27 H new ATOM 0 HB2 LEU B 822 2.103 17.569 22.266 1.00 22.64 H new ATOM 0 HB3 LEU B 822 3.427 18.185 22.814 1.00 22.64 H new ATOM 0 HG LEU B 822 2.638 18.249 20.164 1.00 23.41 H new ATOM 0 HD11 LEU B 822 2.284 20.594 20.540 1.00 19.92 H new ATOM 0 HD12 LEU B 822 1.342 19.742 21.485 1.00 19.92 H new ATOM 0 HD13 LEU B 822 2.664 20.395 22.064 1.00 19.92 H new ATOM 0 HD21 LEU B 822 4.494 19.692 19.757 1.00 21.21 H new ATOM 0 HD22 LEU B 822 4.981 19.475 21.248 1.00 21.21 H new ATOM 0 HD23 LEU B 822 4.999 18.266 20.225 1.00 21.21 H new ATOM 2516 N ASN B 823 3.380 15.754 24.279 1.00 23.49 N ATOM 2517 CA ASN B 823 3.774 15.447 25.669 1.00 23.28 C ATOM 2518 C ASN B 823 4.814 14.289 25.670 1.00 22.77 C ATOM 2519 O ASN B 823 5.768 14.294 26.433 1.00 24.86 O ATOM 2520 CB ASN B 823 2.511 15.119 26.483 1.00 25.71 C ATOM 2521 CG ASN B 823 2.787 14.636 27.922 1.00 30.35 C ATOM 2522 OD1 ASN B 823 2.381 13.531 28.346 1.00 35.97 O ATOM 2523 ND2 ASN B 823 3.396 15.435 28.656 1.00 27.04 N ATOM 0 H ASN B 823 2.536 15.678 24.134 1.00 23.49 H new ATOM 0 HA ASN B 823 4.202 16.210 26.088 1.00 23.28 H new ATOM 0 HB2 ASN B 823 1.950 15.909 26.521 1.00 25.71 H new ATOM 0 HB3 ASN B 823 2.007 14.435 26.015 1.00 25.71 H new ATOM 0 HD21 ASN B 823 3.548 15.234 29.478 1.00 27.04 H new ATOM 0 HD22 ASN B 823 3.665 16.189 28.341 1.00 27.04 H new ATOM 2524 N GLU B 824 4.628 13.339 24.783 1.00 22.90 N ATOM 2525 CA GLU B 824 5.456 12.153 24.721 1.00 25.26 C ATOM 2526 C GLU B 824 6.667 12.358 23.854 1.00 23.17 C ATOM 2527 O GLU B 824 7.389 11.397 23.613 1.00 24.55 O ATOM 2528 CB GLU B 824 4.633 10.931 24.314 1.00 23.51 C ATOM 2529 CG GLU B 824 3.637 10.644 25.416 1.00 31.60 C ATOM 2530 CD GLU B 824 2.684 9.480 25.181 1.00 39.83 C ATOM 2531 OE1 GLU B 824 2.812 8.758 24.208 1.00 49.43 O ATOM 2532 OE2 GLU B 824 1.792 9.282 26.034 1.00 50.96 O ATOM 0 H GLU B 824 4.007 13.362 24.188 1.00 22.90 H new ATOM 0 HA GLU B 824 5.796 11.979 25.613 1.00 25.26 H new ATOM 0 HB2 GLU B 824 4.173 11.097 23.477 1.00 23.51 H new ATOM 0 HB3 GLU B 824 5.211 10.165 24.173 1.00 23.51 H new ATOM 0 HG2 GLU B 824 4.130 10.473 26.234 1.00 31.60 H new ATOM 0 HG3 GLU B 824 3.109 11.444 25.565 1.00 31.60 H new ATOM 2533 N GLN B 825 6.880 13.584 23.374 1.00 24.19 N ATOM 2534 CA GLN B 825 8.006 13.917 22.512 1.00 25.68 C ATOM 2535 C GLN B 825 8.123 13.064 21.274 1.00 27.61 C ATOM 2536 O GLN B 825 9.202 12.619 20.892 1.00 26.76 O ATOM 2537 CB GLN B 825 9.298 13.918 23.319 1.00 32.30 C ATOM 2538 CG GLN B 825 9.243 14.925 24.454 1.00 34.19 C ATOM 2539 CD GLN B 825 10.240 14.641 25.567 1.00 35.43 C ATOM 2540 OE1 GLN B 825 10.333 13.516 26.081 1.00 37.16 O ATOM 2541 NE2 GLN B 825 11.008 15.680 25.940 1.00 26.40 N ATOM 0 H GLN B 825 6.366 14.252 23.544 1.00 24.19 H new ATOM 0 HA GLN B 825 7.834 14.810 22.174 1.00 25.68 H new ATOM 0 HB2 GLN B 825 9.457 13.031 23.679 1.00 32.30 H new ATOM 0 HB3 GLN B 825 10.045 14.126 22.736 1.00 32.30 H new ATOM 0 HG2 GLN B 825 9.410 15.812 24.098 1.00 34.19 H new ATOM 0 HG3 GLN B 825 8.347 14.933 24.826 1.00 34.19 H new ATOM 0 HE21 GLN B 825 10.912 16.445 25.558 1.00 26.40 H new ATOM 0 HE22 GLN B 825 11.595 15.580 26.560 1.00 26.40 H new ATOM 2542 N MET B 826 6.975 12.798 20.646 1.00 24.37 N ATOM 2543 CA AMET B 826 6.930 11.944 19.463 0.59 24.28 C ATOM 2544 CA BMET B 826 6.923 11.948 19.460 0.41 25.50 C ATOM 2545 C MET B 826 7.314 12.703 18.198 1.00 23.80 C ATOM 2546 O MET B 826 7.533 12.113 17.175 1.00 30.85 O ATOM 2547 CB AMET B 826 5.542 11.335 19.308 0.59 24.33 C ATOM 2548 CB BMET B 826 5.533 11.332 19.325 0.41 27.22 C ATOM 2549 CG AMET B 826 5.140 10.358 20.413 0.59 27.51 C ATOM 2550 CG BMET B 826 5.228 10.412 20.494 0.41 31.28 C ATOM 2551 SD AMET B 826 6.205 8.872 20.608 0.59 30.09 S ATOM 2552 SD BMET B 826 3.702 9.454 20.512 0.41 37.01 S ATOM 2553 CE AMET B 826 6.061 8.074 19.008 0.59 30.11 C ATOM 2554 CE BMET B 826 3.390 9.057 18.799 0.41 34.55 C ATOM 0 H AMET B 826 6.210 13.105 20.892 0.59 24.37 H new ATOM 0 H BMET B 826 6.211 13.104 20.895 0.41 24.37 H new ATOM 0 HA AMET B 826 7.581 11.236 19.589 0.59 25.50 H new ATOM 0 HA BMET B 826 7.574 11.237 19.571 0.41 25.50 H new ATOM 0 HB2AMET B 826 4.890 12.053 19.276 0.59 27.22 H new ATOM 0 HB2BMET B 826 4.867 12.036 19.281 0.41 27.22 H new ATOM 0 HB3AMET B 826 5.499 10.874 18.456 0.59 27.22 H new ATOM 0 HB3BMET B 826 5.476 10.834 18.494 0.41 27.22 H new ATOM 0 HG2AMET B 826 5.129 10.838 21.256 0.59 31.28 H new ATOM 0 HG2BMET B 826 5.964 9.784 20.567 0.41 31.28 H new ATOM 0 HG3AMET B 826 4.232 10.062 20.243 0.59 31.28 H new ATOM 0 HG3BMET B 826 5.238 10.954 21.298 0.41 31.28 H new ATOM 0 HE1AMET B 826 6.529 7.225 19.026 0.59 34.55 H new ATOM 0 HE1BMET B 826 2.762 8.320 18.747 0.41 34.55 H new ATOM 0 HE2AMET B 826 5.125 7.922 18.805 0.59 34.55 H new ATOM 0 HE2BMET B 826 3.017 9.832 18.350 0.41 34.55 H new ATOM 0 HE3AMET B 826 6.451 8.643 18.326 0.59 34.55 H new ATOM 0 HE3BMET B 826 4.222 8.803 18.369 0.41 34.55 H new ATOM 2555 N TYR B 827 7.415 14.028 18.256 1.00 22.43 N ATOM 2556 CA TYR B 827 7.763 14.805 17.071 1.00 19.48 C ATOM 2557 C TYR B 827 9.224 15.234 17.143 1.00 20.40 C ATOM 2558 O TYR B 827 9.648 15.867 18.150 1.00 25.03 O ATOM 2559 CB TYR B 827 6.871 16.054 16.952 1.00 19.96 C ATOM 2560 CG TYR B 827 5.418 15.754 16.838 1.00 16.94 C ATOM 2561 CD1 TYR B 827 4.922 14.975 15.817 1.00 17.60 C ATOM 2562 CD2 TYR B 827 4.530 16.273 17.755 1.00 20.12 C ATOM 2563 CE1 TYR B 827 3.563 14.675 15.723 1.00 18.08 C ATOM 2564 CE2 TYR B 827 3.181 15.987 17.684 1.00 17.10 C ATOM 2565 CZ TYR B 827 2.704 15.258 16.641 1.00 18.32 C ATOM 2566 OH TYR B 827 1.372 14.954 16.585 1.00 17.85 O ATOM 0 H TYR B 827 7.287 14.494 18.968 1.00 22.43 H new ATOM 0 HA TYR B 827 7.623 14.246 16.291 1.00 19.48 H new ATOM 0 HB2 TYR B 827 7.015 16.618 17.728 1.00 19.96 H new ATOM 0 HB3 TYR B 827 7.148 16.565 16.175 1.00 19.96 H new ATOM 0 HD1 TYR B 827 5.506 14.641 15.175 1.00 17.60 H new ATOM 0 HD2 TYR B 827 4.845 16.826 18.434 1.00 20.12 H new ATOM 0 HE1 TYR B 827 3.243 14.101 15.065 1.00 18.08 H new ATOM 0 HE2 TYR B 827 2.603 16.291 18.346 1.00 17.10 H new ATOM 0 HH TYR B 827 1.219 14.490 15.902 1.00 17.85 H new ATOM 2567 N THR B 828 10.037 14.850 16.135 1.00 20.36 N ATOM 2568 CA THR B 828 11.455 15.347 16.075 1.00 21.44 C ATOM 2569 C THR B 828 11.661 16.675 15.426 1.00 18.97 C ATOM 2570 O THR B 828 12.613 17.407 15.749 1.00 18.48 O ATOM 2571 CB THR B 828 12.421 14.336 15.385 1.00 21.43 C ATOM 2572 OG1 THR B 828 11.891 13.994 14.116 1.00 22.71 O ATOM 2573 CG2 THR B 828 12.476 13.128 16.235 1.00 18.89 C ATOM 0 H THR B 828 9.808 14.323 15.495 1.00 20.36 H new ATOM 0 HA THR B 828 11.664 15.447 17.017 1.00 21.44 H new ATOM 0 HB THR B 828 13.306 14.716 15.272 1.00 21.43 H new ATOM 0 HG1 THR B 828 12.405 13.450 13.735 1.00 22.71 H new ATOM 0 HG21 THR B 828 13.071 12.476 15.833 1.00 18.89 H new ATOM 0 HG22 THR B 828 12.806 13.366 17.115 1.00 18.89 H new ATOM 0 HG23 THR B 828 11.587 12.748 16.315 1.00 18.89 H new ATOM 2574 N ARG B 829 10.744 17.015 14.531 1.00 20.01 N ATOM 2575 CA AARG B 829 10.778 18.263 13.784 0.49 20.09 C ATOM 2576 CA BARG B 829 10.797 18.298 13.857 0.51 21.40 C ATOM 2577 C ARG B 829 9.383 18.949 13.831 1.00 19.39 C ATOM 2578 O ARG B 829 8.369 18.275 13.979 1.00 19.78 O ATOM 2579 CB AARG B 829 11.131 17.976 12.314 0.49 19.93 C ATOM 2580 CB BARG B 829 11.341 18.119 12.433 0.51 23.57 C ATOM 2581 CG AARG B 829 12.593 17.546 12.096 0.49 18.64 C ATOM 2582 CG BARG B 829 12.842 17.760 12.372 0.51 23.39 C ATOM 2583 CD AARG B 829 12.888 17.047 10.681 0.49 18.49 C ATOM 2584 CD BARG B 829 13.328 17.533 10.947 0.51 25.52 C ATOM 2585 NE AARG B 829 14.307 16.714 10.676 0.49 19.13 N ATOM 2586 NE BARG B 829 14.653 16.910 10.991 0.51 27.42 N ATOM 2587 CZ AARG B 829 14.788 15.555 11.152 0.49 17.79 C ATOM 2588 CZ BARG B 829 15.828 17.501 10.826 0.51 26.50 C ATOM 2589 NH1AARG B 829 13.979 14.589 11.623 0.49 15.23 N ATOM 2590 NH1BARG B 829 16.913 16.761 10.944 0.51 26.40 N ATOM 2591 NH2AARG B 829 16.092 15.389 11.169 0.49 19.48 N ATOM 2592 NH2BARG B 829 15.946 18.791 10.516 0.51 27.18 N ATOM 0 H AARG B 829 10.071 16.516 14.337 0.49 20.01 H new ATOM 0 H BARG B 829 10.083 16.515 14.301 0.51 20.01 H new ATOM 0 HA AARG B 829 11.445 18.845 14.181 0.49 21.40 H new ATOM 0 HA BARG B 829 11.394 18.888 14.342 0.51 21.40 H new ATOM 0 HB2AARG B 829 10.545 17.279 11.980 0.49 23.57 H new ATOM 0 HB2BARG B 829 10.833 17.422 11.988 0.51 23.57 H new ATOM 0 HB3AARG B 829 10.955 18.771 11.787 0.49 23.57 H new ATOM 0 HB3BARG B 829 11.194 18.939 11.935 0.51 23.57 H new ATOM 0 HG2AARG B 829 13.174 18.297 12.292 0.49 23.39 H new ATOM 0 HG2BARG B 829 13.359 18.473 12.777 0.51 23.39 H new ATOM 0 HG3AARG B 829 12.812 16.845 12.729 0.49 23.39 H new ATOM 0 HG3BARG B 829 13.002 16.960 12.897 0.51 23.39 H new ATOM 0 HD2AARG B 829 12.346 16.272 10.463 0.49 25.52 H new ATOM 0 HD2BARG B 829 12.706 16.964 10.467 0.51 25.52 H new ATOM 0 HD3AARG B 829 12.686 17.728 10.021 0.49 25.52 H new ATOM 0 HD3BARG B 829 13.369 18.376 10.468 0.51 25.52 H new ATOM 0 HE AARG B 829 14.862 17.287 10.353 0.49 27.42 H new ATOM 0 HE BARG B 829 14.671 16.063 11.141 0.51 27.42 H new ATOM 0 HH11AARG B 829 13.127 14.705 11.625 0.49 26.40 H new ATOM 0 HH11BARG B 829 16.844 15.923 11.123 0.51 26.40 H new ATOM 0 HH12AARG B 829 14.314 13.856 11.922 0.49 26.40 H new ATOM 0 HH12BARG B 829 17.689 17.117 10.842 0.51 26.40 H new ATOM 0 HH21AARG B 829 16.609 16.013 10.881 0.49 27.18 H new ATOM 0 HH21BARG B 829 15.242 19.275 10.415 0.51 27.18 H new ATOM 0 HH22AARG B 829 16.428 14.656 11.469 0.49 27.18 H new ATOM 0 HH22BARG B 829 16.726 19.140 10.417 0.51 27.18 H new ATOM 2593 N VAL B 830 9.382 20.237 13.626 1.00 21.12 N ATOM 2594 CA VAL B 830 8.125 21.073 13.589 1.00 22.22 C ATOM 2595 C VAL B 830 7.198 20.482 12.547 1.00 22.59 C ATOM 2596 O VAL B 830 6.005 20.291 12.800 1.00 19.77 O ATOM 2597 CB VAL B 830 8.442 22.541 13.363 1.00 20.53 C ATOM 2598 CG1 VAL B 830 7.160 23.277 12.962 1.00 22.61 C ATOM 2599 CG2 VAL B 830 9.050 23.152 14.586 1.00 20.01 C ATOM 0 H VAL B 830 10.101 20.692 13.499 1.00 21.12 H new ATOM 0 HA VAL B 830 7.672 21.049 14.446 1.00 22.22 H new ATOM 0 HB VAL B 830 9.092 22.620 12.647 1.00 20.53 H new ATOM 0 HG11 VAL B 830 7.357 24.215 12.817 1.00 22.61 H new ATOM 0 HG12 VAL B 830 6.807 22.891 12.145 1.00 22.61 H new ATOM 0 HG13 VAL B 830 6.503 23.191 13.670 1.00 22.61 H new ATOM 0 HG21 VAL B 830 9.244 24.088 14.418 1.00 20.01 H new ATOM 0 HG22 VAL B 830 8.429 23.078 15.328 1.00 20.01 H new ATOM 0 HG23 VAL B 830 9.872 22.687 14.806 1.00 20.01 H new ATOM 2600 N GLU B 831 7.786 20.065 11.407 1.00 21.83 N ATOM 2601 CA GLU B 831 7.068 19.336 10.381 1.00 24.64 C ATOM 2602 C GLU B 831 6.109 18.294 10.837 1.00 23.56 C ATOM 2603 O GLU B 831 4.993 18.202 10.313 1.00 23.37 O ATOM 2604 CB GLU B 831 8.073 18.657 9.447 1.00 29.14 C ATOM 2605 CG GLU B 831 7.493 17.901 8.286 1.00 37.37 C ATOM 2606 CD GLU B 831 8.596 17.118 7.553 1.00 40.96 C ATOM 2607 OE1 GLU B 831 9.261 16.249 8.185 1.00 43.15 O ATOM 2608 OE2 GLU B 831 8.835 17.478 6.388 1.00 44.32 O ATOM 0 H GLU B 831 8.614 20.205 11.222 1.00 21.83 H new ATOM 0 HA GLU B 831 6.528 20.018 9.951 1.00 24.64 H new ATOM 0 HB2 GLU B 831 8.673 19.335 9.100 1.00 29.14 H new ATOM 0 HB3 GLU B 831 8.611 18.044 9.972 1.00 29.14 H new ATOM 0 HG2 GLU B 831 6.808 17.290 8.600 1.00 37.37 H new ATOM 0 HG3 GLU B 831 7.064 18.518 7.673 1.00 37.37 H new ATOM 2609 N GLY B 832 6.532 17.433 11.765 1.00 21.18 N ATOM 2610 CA GLY B 832 5.669 16.326 12.168 1.00 19.29 C ATOM 2611 C GLY B 832 4.390 16.826 12.869 1.00 17.26 C ATOM 2612 O GLY B 832 3.326 16.244 12.735 1.00 19.99 O ATOM 0 H GLY B 832 7.294 17.471 12.163 1.00 21.18 H new ATOM 0 HA2 GLY B 832 5.427 15.803 11.388 1.00 19.29 H new ATOM 0 HA3 GLY B 832 6.156 15.736 12.765 1.00 19.29 H new ATOM 2613 N PHE B 833 4.543 17.824 13.720 1.00 20.23 N ATOM 2614 CA PHE B 833 3.409 18.412 14.463 1.00 19.46 C ATOM 2615 C PHE B 833 2.496 19.090 13.438 1.00 19.11 C ATOM 2616 O PHE B 833 1.306 18.895 13.417 1.00 20.28 O ATOM 2617 CB PHE B 833 3.950 19.340 15.518 1.00 19.73 C ATOM 2618 CG PHE B 833 2.939 20.285 16.072 1.00 19.57 C ATOM 2619 CD1 PHE B 833 2.068 19.862 17.029 1.00 19.83 C ATOM 2620 CD2 PHE B 833 2.830 21.568 15.570 1.00 22.02 C ATOM 2621 CE1 PHE B 833 1.080 20.731 17.568 1.00 21.96 C ATOM 2622 CE2 PHE B 833 1.863 22.474 16.103 1.00 22.65 C ATOM 2623 CZ PHE B 833 0.997 22.027 17.104 1.00 22.02 C ATOM 0 H PHE B 833 5.302 18.189 13.893 1.00 20.23 H new ATOM 0 HA PHE B 833 2.879 17.751 14.935 1.00 19.46 H new ATOM 0 HB2 PHE B 833 4.316 18.811 16.244 1.00 19.73 H new ATOM 0 HB3 PHE B 833 4.684 19.850 15.141 1.00 19.73 H new ATOM 0 HD1 PHE B 833 2.120 18.986 17.337 1.00 19.83 H new ATOM 0 HD2 PHE B 833 3.390 21.843 14.880 1.00 22.02 H new ATOM 0 HE1 PHE B 833 0.496 20.429 18.226 1.00 21.96 H new ATOM 0 HE2 PHE B 833 1.811 23.348 15.789 1.00 22.65 H new ATOM 0 HZ PHE B 833 0.362 22.606 17.459 1.00 22.02 H new ATOM 2624 N VAL B 834 3.048 19.876 12.570 1.00 18.46 N ATOM 2625 CA VAL B 834 2.179 20.578 11.602 1.00 20.63 C ATOM 2626 C VAL B 834 1.440 19.617 10.701 1.00 21.77 C ATOM 2627 O VAL B 834 0.238 19.833 10.363 1.00 22.67 O ATOM 2628 CB VAL B 834 2.990 21.583 10.818 1.00 19.37 C ATOM 2629 CG1 VAL B 834 2.215 22.235 9.651 1.00 23.09 C ATOM 2630 CG2 VAL B 834 3.538 22.635 11.771 1.00 21.25 C ATOM 0 H VAL B 834 3.891 20.032 12.501 1.00 18.46 H new ATOM 0 HA VAL B 834 1.496 21.057 12.097 1.00 20.63 H new ATOM 0 HB VAL B 834 3.720 21.101 10.398 1.00 19.37 H new ATOM 0 HG11 VAL B 834 2.791 22.866 9.192 1.00 23.09 H new ATOM 0 HG12 VAL B 834 1.929 21.548 9.029 1.00 23.09 H new ATOM 0 HG13 VAL B 834 1.438 22.700 9.998 1.00 23.09 H new ATOM 0 HG21 VAL B 834 4.060 23.283 11.272 1.00 21.25 H new ATOM 0 HG22 VAL B 834 2.802 23.085 12.214 1.00 21.25 H new ATOM 0 HG23 VAL B 834 4.102 22.208 12.435 1.00 21.25 H new ATOM 2631 N GLN B 835 2.099 18.524 10.298 1.00 23.02 N ATOM 2632 CA GLN B 835 1.438 17.578 9.445 1.00 22.85 C ATOM 2633 C GLN B 835 0.262 16.905 10.104 1.00 22.67 C ATOM 2634 O GLN B 835 -0.783 16.736 9.488 1.00 21.49 O ATOM 2635 CB GLN B 835 2.397 16.500 8.938 1.00 27.49 C ATOM 2636 CG GLN B 835 3.356 17.048 7.934 1.00 33.02 C ATOM 2637 CD GLN B 835 4.375 16.014 7.447 1.00 41.53 C ATOM 2638 OE1 GLN B 835 4.520 14.904 7.996 1.00 45.74 O ATOM 2639 NE2 GLN B 835 5.073 16.380 6.392 1.00 48.03 N ATOM 0 H GLN B 835 2.909 18.329 10.510 1.00 23.02 H new ATOM 0 HA GLN B 835 1.110 18.103 8.698 1.00 22.85 H new ATOM 0 HB2 GLN B 835 2.889 16.125 9.686 1.00 27.49 H new ATOM 0 HB3 GLN B 835 1.890 15.775 8.540 1.00 27.49 H new ATOM 0 HG2 GLN B 835 2.860 17.388 7.173 1.00 33.02 H new ATOM 0 HG3 GLN B 835 3.828 17.800 8.323 1.00 33.02 H new ATOM 0 HE21 GLN B 835 4.946 17.154 6.040 1.00 48.03 H new ATOM 0 HE22 GLN B 835 5.656 15.845 6.055 1.00 48.03 H new ATOM 2640 N ASP B 836 0.388 16.586 11.376 1.00 21.87 N ATOM 2641 CA ASP B 836 -0.710 15.954 12.086 1.00 18.52 C ATOM 2642 C ASP B 836 -1.846 17.011 12.290 1.00 18.72 C ATOM 2643 O ASP B 836 -3.013 16.655 12.162 1.00 18.25 O ATOM 2644 CB ASP B 836 -0.248 15.409 13.425 1.00 20.57 C ATOM 2645 CG ASP B 836 0.296 13.995 13.370 1.00 23.91 C ATOM 2646 OD1 ASP B 836 0.322 13.406 12.279 1.00 23.88 O ATOM 2647 OD2 ASP B 836 0.648 13.468 14.474 1.00 23.80 O ATOM 0 H ASP B 836 1.094 16.724 11.847 1.00 21.87 H new ATOM 0 HA ASP B 836 -1.043 15.207 11.565 1.00 18.52 H new ATOM 0 HB2 ASP B 836 0.438 15.995 13.781 1.00 20.57 H new ATOM 0 HB3 ASP B 836 -0.992 15.434 14.046 1.00 20.57 H new ATOM 2648 N MET B 837 -1.527 18.266 12.555 1.00 18.34 N ATOM 2649 CA MET B 837 -2.626 19.269 12.730 1.00 19.72 C ATOM 2650 C MET B 837 -3.405 19.491 11.401 1.00 22.38 C ATOM 2651 O MET B 837 -4.670 19.463 11.347 1.00 20.96 O ATOM 2652 CB MET B 837 -2.060 20.587 13.192 1.00 18.52 C ATOM 2653 CG MET B 837 -1.465 20.569 14.601 1.00 19.12 C ATOM 2654 SD MET B 837 -2.720 20.284 15.871 1.00 18.77 S ATOM 2655 CE MET B 837 -3.419 21.974 15.816 1.00 21.32 C ATOM 0 H MET B 837 -0.727 18.570 12.639 1.00 18.34 H new ATOM 0 HA MET B 837 -3.237 18.920 13.397 1.00 19.72 H new ATOM 0 HB2 MET B 837 -1.372 20.866 12.567 1.00 18.52 H new ATOM 0 HB3 MET B 837 -2.762 21.256 13.159 1.00 18.52 H new ATOM 0 HG2 MET B 837 -0.789 19.876 14.656 1.00 19.12 H new ATOM 0 HG3 MET B 837 -1.020 21.413 14.773 1.00 19.12 H new ATOM 0 HE1 MET B 837 -3.839 22.178 16.666 1.00 21.32 H new ATOM 0 HE2 MET B 837 -2.709 22.613 15.645 1.00 21.32 H new ATOM 0 HE3 MET B 837 -4.080 22.028 15.108 1.00 21.32 H new ATOM 2656 N ARG B 838 -2.657 19.599 10.302 1.00 22.22 N ATOM 2657 CA ARG B 838 -3.300 19.692 8.963 1.00 23.56 C ATOM 2658 C ARG B 838 -4.096 18.491 8.574 1.00 25.05 C ATOM 2659 O ARG B 838 -5.169 18.611 7.934 1.00 23.34 O ATOM 2660 CB ARG B 838 -2.276 20.054 7.886 1.00 22.97 C ATOM 2661 CG ARG B 838 -1.695 21.435 8.132 1.00 21.46 C ATOM 2662 CD ARG B 838 -0.603 21.770 7.119 1.00 23.06 C ATOM 2663 NE ARG B 838 -0.272 23.176 7.162 1.00 23.02 N ATOM 2664 CZ ARG B 838 0.831 23.742 6.658 1.00 25.50 C ATOM 2665 NH1 ARG B 838 1.776 23.033 6.075 1.00 28.09 N ATOM 2666 NH2 ARG B 838 1.020 25.007 6.823 1.00 25.95 N ATOM 0 H ARG B 838 -1.797 19.621 10.296 1.00 22.22 H new ATOM 0 HA ARG B 838 -3.947 20.411 9.037 1.00 23.56 H new ATOM 0 HB2 ARG B 838 -1.563 19.396 7.878 1.00 22.97 H new ATOM 0 HB3 ARG B 838 -2.697 20.027 7.012 1.00 22.97 H new ATOM 0 HG2 ARG B 838 -2.401 22.098 8.080 1.00 21.46 H new ATOM 0 HG3 ARG B 838 -1.330 21.479 9.030 1.00 21.46 H new ATOM 0 HD2 ARG B 838 0.189 21.242 7.305 1.00 23.06 H new ATOM 0 HD3 ARG B 838 -0.900 21.531 6.227 1.00 23.06 H new ATOM 0 HE ARG B 838 -0.837 23.698 7.547 1.00 23.02 H new ATOM 0 HH11 ARG B 838 1.695 22.179 6.009 1.00 28.09 H new ATOM 0 HH12 ARG B 838 2.474 23.424 5.760 1.00 28.09 H new ATOM 0 HH21 ARG B 838 0.441 25.476 7.252 1.00 25.95 H new ATOM 0 HH22 ARG B 838 1.725 25.382 6.504 1.00 25.95 H new ATOM 2667 N LEU B 839 -3.619 17.323 8.988 1.00 23.52 N ATOM 2668 CA LEU B 839 -4.325 16.077 8.721 1.00 24.30 C ATOM 2669 C LEU B 839 -5.720 16.052 9.364 1.00 25.93 C ATOM 2670 O LEU B 839 -6.675 15.482 8.799 1.00 22.81 O ATOM 2671 CB LEU B 839 -3.503 14.874 9.166 1.00 23.95 C ATOM 2672 CG LEU B 839 -4.094 13.484 9.127 1.00 26.82 C ATOM 2673 CD1 LEU B 839 -4.471 13.034 7.715 1.00 28.74 C ATOM 2674 CD2 LEU B 839 -3.086 12.504 9.756 1.00 31.26 C ATOM 0 H LEU B 839 -2.885 17.231 9.427 1.00 23.52 H new ATOM 0 HA LEU B 839 -4.450 16.024 7.761 1.00 24.30 H new ATOM 0 HB2 LEU B 839 -2.700 14.859 8.622 1.00 23.95 H new ATOM 0 HB3 LEU B 839 -3.223 15.041 10.080 1.00 23.95 H new ATOM 0 HG LEU B 839 -4.921 13.495 9.633 1.00 26.82 H new ATOM 0 HD11 LEU B 839 -4.844 12.139 7.749 1.00 28.74 H new ATOM 0 HD12 LEU B 839 -5.129 13.644 7.346 1.00 28.74 H new ATOM 0 HD13 LEU B 839 -3.680 13.033 7.153 1.00 28.74 H new ATOM 0 HD21 LEU B 839 -3.453 11.606 9.738 1.00 31.26 H new ATOM 0 HD22 LEU B 839 -2.257 12.525 9.253 1.00 31.26 H new ATOM 0 HD23 LEU B 839 -2.912 12.763 10.674 1.00 31.26 H new ATOM 2675 N ILE B 840 -5.858 16.677 10.535 1.00 20.39 N ATOM 2676 CA ILE B 840 -7.166 16.708 11.188 1.00 20.77 C ATOM 2677 C ILE B 840 -8.229 17.340 10.257 1.00 19.89 C ATOM 2678 O ILE B 840 -9.327 16.793 10.059 1.00 21.81 O ATOM 2679 CB ILE B 840 -7.073 17.502 12.519 1.00 20.87 C ATOM 2680 CG1 ILE B 840 -6.335 16.690 13.573 1.00 18.75 C ATOM 2681 CG2 ILE B 840 -8.450 17.898 13.038 1.00 22.61 C ATOM 2682 CD1 ILE B 840 -5.897 17.549 14.773 1.00 18.82 C ATOM 0 H ILE B 840 -5.226 17.078 10.957 1.00 20.39 H new ATOM 0 HA ILE B 840 -7.437 15.797 11.381 1.00 20.77 H new ATOM 0 HB ILE B 840 -6.577 18.316 12.337 1.00 20.87 H new ATOM 0 HG12 ILE B 840 -6.908 15.972 13.884 1.00 18.75 H new ATOM 0 HG13 ILE B 840 -5.554 16.277 13.172 1.00 18.75 H new ATOM 0 HG21 ILE B 840 -8.354 18.391 13.868 1.00 22.61 H new ATOM 0 HG22 ILE B 840 -8.896 18.456 12.381 1.00 22.61 H new ATOM 0 HG23 ILE B 840 -8.978 17.100 13.196 1.00 22.61 H new ATOM 0 HD11 ILE B 840 -5.432 16.992 15.417 1.00 18.82 H new ATOM 0 HD12 ILE B 840 -5.304 18.253 14.468 1.00 18.82 H new ATOM 0 HD13 ILE B 840 -6.678 17.943 15.191 1.00 18.82 H new ATOM 2683 N PHE B 841 -7.883 18.469 9.696 1.00 20.96 N ATOM 2684 CA PHE B 841 -8.821 19.263 8.877 1.00 25.06 C ATOM 2685 C PHE B 841 -9.013 18.655 7.509 1.00 26.23 C ATOM 2686 O PHE B 841 -10.151 18.639 6.983 1.00 26.41 O ATOM 2687 CB PHE B 841 -8.368 20.711 8.820 1.00 23.70 C ATOM 2688 CG PHE B 841 -8.063 21.256 10.184 1.00 28.55 C ATOM 2689 CD1 PHE B 841 -9.079 21.296 11.154 1.00 28.45 C ATOM 2690 CD2 PHE B 841 -6.768 21.651 10.543 1.00 27.68 C ATOM 2691 CE1 PHE B 841 -8.809 21.700 12.449 1.00 26.21 C ATOM 2692 CE2 PHE B 841 -6.515 22.075 11.839 1.00 30.01 C ATOM 2693 CZ PHE B 841 -7.543 22.120 12.782 1.00 31.47 C ATOM 0 H PHE B 841 -7.099 18.815 9.767 1.00 20.96 H new ATOM 0 HA PHE B 841 -9.694 19.249 9.299 1.00 25.06 H new ATOM 0 HB2 PHE B 841 -7.579 20.781 8.260 1.00 23.70 H new ATOM 0 HB3 PHE B 841 -9.059 21.250 8.404 1.00 23.70 H new ATOM 0 HD1 PHE B 841 -9.945 21.047 10.922 1.00 28.45 H new ATOM 0 HD2 PHE B 841 -6.082 21.629 9.916 1.00 27.68 H new ATOM 0 HE1 PHE B 841 -9.481 21.688 13.092 1.00 26.21 H new ATOM 0 HE2 PHE B 841 -5.654 22.331 12.081 1.00 30.01 H new ATOM 0 HZ PHE B 841 -7.371 22.436 13.640 1.00 31.47 H new ATOM 2694 N HIS B 842 -7.951 18.041 6.990 1.00 26.27 N ATOM 2695 CA HIS B 842 -8.050 17.217 5.768 1.00 27.53 C ATOM 2696 C HIS B 842 -9.040 16.118 5.843 1.00 25.71 C ATOM 2697 O HIS B 842 -9.933 15.972 4.978 1.00 24.57 O ATOM 2698 CB HIS B 842 -6.685 16.663 5.333 1.00 31.62 C ATOM 2699 CG HIS B 842 -6.785 15.714 4.164 1.00 34.64 C ATOM 2700 ND1 HIS B 842 -6.754 16.148 2.854 1.00 37.25 N ATOM 2701 CD2 HIS B 842 -6.973 14.369 4.106 1.00 40.94 C ATOM 2702 CE1 HIS B 842 -6.904 15.120 2.037 1.00 36.62 C ATOM 2703 NE2 HIS B 842 -7.036 14.028 2.769 1.00 43.40 N ATOM 0 H HIS B 842 -7.160 18.085 7.325 1.00 26.27 H new ATOM 0 HA HIS B 842 -8.375 17.834 5.094 1.00 27.53 H new ATOM 0 HB2 HIS B 842 -6.102 17.401 5.096 1.00 31.62 H new ATOM 0 HB3 HIS B 842 -6.273 16.205 6.082 1.00 31.62 H new ATOM 0 HD2 HIS B 842 -7.045 13.789 4.829 1.00 40.94 H new ATOM 0 HE1 HIS B 842 -6.915 15.159 1.108 1.00 36.62 H new ATOM 0 HE2 HIS B 842 -7.144 13.232 2.462 1.00 43.40 H new ATOM 2704 N ASN B 843 -8.941 15.324 6.894 1.00 24.71 N ATOM 2705 CA ASN B 843 -9.851 14.272 7.130 1.00 23.25 C ATOM 2706 C ASN B 843 -11.320 14.736 7.244 1.00 26.33 C ATOM 2707 O ASN B 843 -12.242 14.053 6.776 1.00 24.70 O ATOM 2708 CB ASN B 843 -9.453 13.490 8.392 1.00 23.95 C ATOM 2709 CG ASN B 843 -8.286 12.536 8.135 1.00 27.65 C ATOM 2710 OD1 ASN B 843 -7.890 12.296 6.973 1.00 27.52 O ATOM 2711 ND2 ASN B 843 -7.734 12.008 9.186 1.00 24.25 N ATOM 0 H ASN B 843 -8.326 15.397 7.490 1.00 24.71 H new ATOM 0 HA ASN B 843 -9.801 13.697 6.351 1.00 23.25 H new ATOM 0 HB2 ASN B 843 -9.210 14.114 9.094 1.00 23.95 H new ATOM 0 HB3 ASN B 843 -10.217 12.985 8.712 1.00 23.95 H new ATOM 0 HD21 ASN B 843 -7.069 11.470 9.098 1.00 24.25 H new ATOM 0 HD22 ASN B 843 -8.034 12.197 9.970 1.00 24.25 H new ATOM 2712 N HIS B 844 -11.505 15.848 7.940 1.00 24.72 N ATOM 2713 CA HIS B 844 -12.856 16.394 8.155 1.00 25.09 C ATOM 2714 C HIS B 844 -13.521 16.759 6.782 1.00 25.63 C ATOM 2715 O HIS B 844 -14.666 16.449 6.564 1.00 25.89 O ATOM 2716 CB HIS B 844 -12.720 17.643 8.984 1.00 25.54 C ATOM 2717 CG HIS B 844 -14.011 18.295 9.284 1.00 24.96 C ATOM 2718 ND1 HIS B 844 -14.843 17.856 10.305 1.00 23.74 N ATOM 2719 CD2 HIS B 844 -14.635 19.324 8.685 1.00 24.40 C ATOM 2720 CE1 HIS B 844 -15.913 18.632 10.340 1.00 25.49 C ATOM 2721 NE2 HIS B 844 -15.834 19.501 9.340 1.00 26.04 N ATOM 0 H HIS B 844 -10.871 16.306 8.298 1.00 24.72 H new ATOM 0 HA HIS B 844 -13.411 15.736 8.602 1.00 25.09 H new ATOM 0 HB2 HIS B 844 -12.276 17.422 9.818 1.00 25.54 H new ATOM 0 HB3 HIS B 844 -12.149 18.272 8.516 1.00 25.54 H new ATOM 0 HD2 HIS B 844 -14.318 19.821 7.966 1.00 24.40 H new ATOM 0 HE1 HIS B 844 -16.604 18.578 10.960 1.00 25.49 H new ATOM 0 HE2 HIS B 844 -16.435 20.081 9.134 1.00 26.04 H new ATOM 2722 N LYS B 845 -12.796 17.474 5.959 1.00 26.57 N ATOM 2723 CA LYS B 845 -13.239 17.834 4.606 1.00 33.82 C ATOM 2724 C LYS B 845 -13.531 16.578 3.783 1.00 34.06 C ATOM 2725 O LYS B 845 -14.527 16.539 3.124 1.00 32.91 O ATOM 2726 CB LYS B 845 -12.194 18.713 3.933 1.00 43.06 C ATOM 2727 CG LYS B 845 -12.576 19.231 2.545 1.00 58.34 C ATOM 2728 CD LYS B 845 -11.493 20.051 1.810 1.00 65.41 C ATOM 2729 CE LYS B 845 -10.067 19.481 1.905 1.00 73.76 C ATOM 2730 NZ LYS B 845 -9.809 18.040 1.559 1.00 75.80 N ATOM 0 H LYS B 845 -12.016 17.777 6.160 1.00 26.57 H new ATOM 0 HA LYS B 845 -14.064 18.340 4.667 1.00 33.82 H new ATOM 0 HB2 LYS B 845 -12.013 19.473 4.508 1.00 43.06 H new ATOM 0 HB3 LYS B 845 -11.368 18.210 3.859 1.00 43.06 H new ATOM 0 HG2 LYS B 845 -12.815 18.472 1.990 1.00 58.34 H new ATOM 0 HG3 LYS B 845 -13.371 19.781 2.631 1.00 58.34 H new ATOM 0 HD2 LYS B 845 -11.738 20.118 0.874 1.00 65.41 H new ATOM 0 HD3 LYS B 845 -11.491 20.952 2.168 1.00 65.41 H new ATOM 0 HE2 LYS B 845 -9.501 20.021 1.331 1.00 73.76 H new ATOM 0 HE3 LYS B 845 -9.761 19.618 2.815 1.00 73.76 H new ATOM 0 HZ1 LYS B 845 -9.020 17.792 1.888 1.00 75.80 H new ATOM 0 HZ2 LYS B 845 -10.449 17.531 1.910 1.00 75.80 H new ATOM 0 HZ3 LYS B 845 -9.805 17.943 0.674 1.00 75.80 H new ATOM 2731 N GLU B 846 -12.722 15.521 3.862 1.00 33.90 N ATOM 2732 CA GLU B 846 -12.976 14.328 3.059 1.00 34.28 C ATOM 2733 C GLU B 846 -14.137 13.528 3.500 1.00 34.53 C ATOM 2734 O GLU B 846 -14.691 12.760 2.705 1.00 32.70 O ATOM 2735 CB GLU B 846 -11.764 13.360 2.968 1.00 37.00 C ATOM 2736 CG GLU B 846 -10.550 13.909 2.250 1.00 41.99 C ATOM 2737 CD GLU B 846 -10.782 14.111 0.760 1.00 48.91 C ATOM 2738 OE1 GLU B 846 -11.330 13.196 0.103 1.00 48.36 O ATOM 2739 OE2 GLU B 846 -10.452 15.213 0.260 1.00 54.21 O ATOM 0 H GLU B 846 -12.029 15.475 4.369 1.00 33.90 H new ATOM 0 HA GLU B 846 -13.161 14.712 2.188 1.00 34.28 H new ATOM 0 HB2 GLU B 846 -11.503 13.107 3.867 1.00 37.00 H new ATOM 0 HB3 GLU B 846 -12.049 12.550 2.517 1.00 37.00 H new ATOM 0 HG2 GLU B 846 -10.299 14.756 2.651 1.00 41.99 H new ATOM 0 HG3 GLU B 846 -9.804 13.303 2.377 1.00 41.99 H new ATOM 2740 N PHE B 847 -14.498 13.614 4.773 1.00 28.71 N ATOM 2741 CA PHE B 847 -15.605 12.875 5.251 1.00 27.61 C ATOM 2742 C PHE B 847 -16.934 13.604 4.976 1.00 25.95 C ATOM 2743 O PHE B 847 -17.890 12.980 4.638 1.00 24.43 O ATOM 2744 CB PHE B 847 -15.509 12.620 6.774 1.00 24.42 C ATOM 2745 CG PHE B 847 -16.587 11.781 7.292 1.00 24.44 C ATOM 2746 CD1 PHE B 847 -16.568 10.416 7.073 1.00 25.75 C ATOM 2747 CD2 PHE B 847 -17.607 12.307 8.022 1.00 26.40 C ATOM 2748 CE1 PHE B 847 -17.556 9.607 7.532 1.00 25.67 C ATOM 2749 CE2 PHE B 847 -18.606 11.510 8.493 1.00 28.25 C ATOM 2750 CZ PHE B 847 -18.589 10.151 8.256 1.00 30.11 C ATOM 0 H PHE B 847 -14.103 14.100 5.362 1.00 28.71 H new ATOM 0 HA PHE B 847 -15.587 12.030 4.775 1.00 27.61 H new ATOM 0 HB2 PHE B 847 -14.658 12.199 6.971 1.00 24.42 H new ATOM 0 HB3 PHE B 847 -15.519 13.471 7.239 1.00 24.42 H new ATOM 0 HD1 PHE B 847 -15.860 10.043 6.599 1.00 25.75 H new ATOM 0 HD2 PHE B 847 -17.622 13.219 8.201 1.00 26.40 H new ATOM 0 HE1 PHE B 847 -17.534 8.694 7.358 1.00 25.67 H new ATOM 0 HE2 PHE B 847 -19.305 11.885 8.978 1.00 28.25 H new ATOM 0 HZ PHE B 847 -19.270 9.609 8.583 1.00 30.11 H new ATOM 2751 N TYR B 848 -16.965 14.881 5.300 1.00 27.08 N ATOM 2752 CA TYR B 848 -18.185 15.686 5.248 1.00 29.11 C ATOM 2753 C TYR B 848 -18.481 16.157 3.824 1.00 32.83 C ATOM 2754 O TYR B 848 -19.646 16.303 3.512 1.00 29.99 O ATOM 2755 CB TYR B 848 -18.194 16.839 6.303 1.00 24.33 C ATOM 2756 CG TYR B 848 -18.406 16.259 7.685 1.00 23.93 C ATOM 2757 CD1 TYR B 848 -19.588 15.629 8.013 1.00 22.50 C ATOM 2758 CD2 TYR B 848 -17.383 16.233 8.631 1.00 25.97 C ATOM 2759 CE1 TYR B 848 -19.793 14.995 9.227 1.00 24.58 C ATOM 2760 CE2 TYR B 848 -17.584 15.595 9.870 1.00 24.04 C ATOM 2761 CZ TYR B 848 -18.783 15.008 10.167 1.00 23.71 C ATOM 2762 OH TYR B 848 -19.031 14.408 11.352 1.00 25.11 O ATOM 0 H TYR B 848 -16.272 15.318 5.561 1.00 27.08 H new ATOM 0 HA TYR B 848 -18.922 15.110 5.505 1.00 29.11 H new ATOM 0 HB2 TYR B 848 -17.356 17.326 6.271 1.00 24.33 H new ATOM 0 HB3 TYR B 848 -18.898 17.473 6.097 1.00 24.33 H new ATOM 0 HD1 TYR B 848 -20.279 15.630 7.391 1.00 22.50 H new ATOM 0 HD2 TYR B 848 -16.567 16.637 8.444 1.00 25.97 H new ATOM 0 HE1 TYR B 848 -20.599 14.567 9.406 1.00 24.58 H new ATOM 0 HE2 TYR B 848 -16.894 15.573 10.493 1.00 24.04 H new ATOM 0 HH TYR B 848 -19.575 13.778 11.239 1.00 25.11 H new ATOM 2763 N ARG B 849 -17.452 16.319 2.985 1.00 34.80 N ATOM 2764 CA ARG B 849 -17.589 16.550 1.534 1.00 36.31 C ATOM 2765 C ARG B 849 -18.543 17.711 1.260 1.00 41.48 C ATOM 2766 O ARG B 849 -18.203 18.846 1.621 1.00 44.42 O ATOM 2767 CB ARG B 849 -17.881 15.252 0.750 1.00 37.42 C ATOM 2768 CG ARG B 849 -16.938 14.097 1.145 1.00 39.42 C ATOM 2769 CD ARG B 849 -16.951 12.870 0.223 1.00 38.72 C ATOM 2770 NE ARG B 849 -16.261 13.169 -1.006 1.00 38.03 N ATOM 2771 CZ ARG B 849 -14.932 13.219 -1.167 1.00 42.89 C ATOM 2772 NH1 ARG B 849 -14.087 12.936 -0.166 1.00 39.70 N ATOM 2773 NH2 ARG B 849 -14.426 13.558 -2.356 1.00 41.34 N ATOM 0 H ARG B 849 -16.633 16.298 3.248 1.00 34.80 H new ATOM 0 HA ARG B 849 -16.731 16.832 1.181 1.00 36.31 H new ATOM 0 HB2 ARG B 849 -18.800 14.983 0.907 1.00 37.42 H new ATOM 0 HB3 ARG B 849 -17.794 15.426 -0.200 1.00 37.42 H new ATOM 0 HG2 ARG B 849 -16.032 14.442 1.182 1.00 39.42 H new ATOM 0 HG3 ARG B 849 -17.168 13.808 2.042 1.00 39.42 H new ATOM 0 HD2 ARG B 849 -16.527 12.119 0.666 1.00 38.72 H new ATOM 0 HD3 ARG B 849 -17.866 12.608 0.034 1.00 38.72 H new ATOM 0 HE ARG B 849 -16.746 13.330 -1.698 1.00 38.03 H new ATOM 0 HH11 ARG B 849 -14.394 12.715 0.606 1.00 39.70 H new ATOM 0 HH12 ARG B 849 -13.238 12.976 -0.296 1.00 39.70 H new ATOM 0 HH21 ARG B 849 -14.952 13.742 -3.011 1.00 41.34 H new ATOM 0 HH22 ARG B 849 -13.574 13.592 -2.467 1.00 41.34 H new ATOM 2774 N GLU B 850 -19.716 17.460 0.671 1.00 42.55 N ATOM 2775 CA AGLU B 850 -20.645 18.544 0.271 0.44 42.81 C ATOM 2776 CA BGLU B 850 -20.620 18.551 0.260 0.56 46.48 C ATOM 2777 C GLU B 850 -21.456 19.124 1.431 1.00 42.22 C ATOM 2778 O GLU B 850 -22.004 20.219 1.327 1.00 38.00 O ATOM 2779 CB AGLU B 850 -21.609 18.077 -0.846 0.44 43.65 C ATOM 2780 CB BGLU B 850 -21.497 18.123 -0.958 0.56 51.90 C ATOM 2781 CG AGLU B 850 -21.151 18.486 -2.226 0.44 42.29 C ATOM 2782 CG BGLU B 850 -22.764 17.302 -0.686 0.56 55.69 C ATOM 2783 CD AGLU B 850 -19.715 18.141 -2.472 0.44 44.19 C ATOM 2784 CD BGLU B 850 -22.522 15.819 -0.457 0.56 61.81 C ATOM 2785 OE1AGLU B 850 -18.886 19.074 -2.611 0.44 45.12 O ATOM 2786 OE1BGLU B 850 -23.465 15.030 -0.713 0.56 68.68 O ATOM 2787 OE2AGLU B 850 -19.417 16.929 -2.509 0.44 48.74 O ATOM 2788 OE2BGLU B 850 -21.414 15.441 -0.015 0.56 59.48 O ATOM 0 H AGLU B 850 -20.000 16.668 0.491 0.44 42.55 H new ATOM 0 H BGLU B 850 -20.009 16.670 0.499 0.56 42.55 H new ATOM 0 HA AGLU B 850 -20.073 19.254 -0.062 0.44 46.48 H new ATOM 0 HA BGLU B 850 -20.060 19.288 -0.031 0.56 46.48 H new ATOM 0 HB2AGLU B 850 -21.694 17.111 -0.811 0.44 51.90 H new ATOM 0 HB2BGLU B 850 -21.761 18.928 -1.430 0.56 51.90 H new ATOM 0 HB3AGLU B 850 -22.491 18.445 -0.681 0.44 51.90 H new ATOM 0 HB3BGLU B 850 -20.936 17.611 -1.562 0.56 51.90 H new ATOM 0 HG2AGLU B 850 -21.705 18.049 -2.891 0.44 55.69 H new ATOM 0 HG2BGLU B 850 -23.211 17.668 0.093 0.56 55.69 H new ATOM 0 HG3AGLU B 850 -21.276 19.442 -2.336 0.44 55.69 H new ATOM 0 HG3BGLU B 850 -23.370 17.406 -1.436 0.56 55.69 H new ATOM 2789 N ASP B 851 -21.549 18.386 2.537 1.00 38.64 N ATOM 2790 CA ASP B 851 -22.260 18.880 3.696 1.00 34.62 C ATOM 2791 C ASP B 851 -21.642 20.153 4.230 1.00 32.31 C ATOM 2792 O ASP B 851 -20.417 20.328 4.344 1.00 30.48 O ATOM 2793 CB ASP B 851 -22.359 17.809 4.765 1.00 38.60 C ATOM 2794 CG ASP B 851 -23.374 18.143 5.867 1.00 36.07 C ATOM 2795 OD1 ASP B 851 -23.213 19.147 6.616 1.00 33.48 O ATOM 2796 OD2 ASP B 851 -24.301 17.320 6.018 1.00 35.50 O ATOM 0 H ASP B 851 -21.207 17.602 2.629 1.00 38.64 H new ATOM 0 HA ASP B 851 -23.162 19.103 3.418 1.00 34.62 H new ATOM 0 HB2 ASP B 851 -22.607 16.968 4.350 1.00 38.60 H new ATOM 0 HB3 ASP B 851 -21.486 17.680 5.167 1.00 38.60 H new ATOM 2797 N LYS B 852 -22.506 21.092 4.540 1.00 32.85 N ATOM 2798 CA LYS B 852 -22.066 22.367 5.027 1.00 31.44 C ATOM 2799 C LYS B 852 -21.203 22.308 6.284 1.00 28.66 C ATOM 2800 O LYS B 852 -20.510 23.304 6.614 1.00 29.53 O ATOM 2801 CB LYS B 852 -23.252 23.273 5.277 1.00 34.65 C ATOM 2802 CG LYS B 852 -24.217 22.755 6.329 1.00 37.74 C ATOM 2803 CD LYS B 852 -25.469 23.636 6.371 1.00 44.95 C ATOM 2804 CE LYS B 852 -26.233 23.431 7.689 1.00 43.39 C ATOM 2805 NZ LYS B 852 -27.618 23.946 7.638 1.00 41.20 N ATOM 0 H LYS B 852 -23.359 21.007 4.474 1.00 32.85 H new ATOM 0 HA LYS B 852 -21.499 22.723 4.325 1.00 31.44 H new ATOM 0 HB2 LYS B 852 -22.928 24.145 5.551 1.00 34.65 H new ATOM 0 HB3 LYS B 852 -23.733 23.397 4.444 1.00 34.65 H new ATOM 0 HG2 LYS B 852 -24.464 21.839 6.129 1.00 37.74 H new ATOM 0 HG3 LYS B 852 -23.787 22.750 7.198 1.00 37.74 H new ATOM 0 HD2 LYS B 852 -25.217 24.568 6.279 1.00 44.95 H new ATOM 0 HD3 LYS B 852 -26.046 23.423 5.621 1.00 44.95 H new ATOM 0 HE2 LYS B 852 -26.252 22.485 7.902 1.00 43.39 H new ATOM 0 HE3 LYS B 852 -25.754 23.874 8.407 1.00 43.39 H new ATOM 0 HZ1 LYS B 852 -28.017 23.804 8.421 1.00 41.20 H new ATOM 0 HZ2 LYS B 852 -27.604 24.819 7.466 1.00 41.20 H new ATOM 0 HZ3 LYS B 852 -28.068 23.525 6.996 1.00 41.20 H new ATOM 2806 N PHE B 853 -21.311 21.205 7.011 1.00 28.22 N ATOM 2807 CA PHE B 853 -20.472 21.022 8.222 1.00 28.49 C ATOM 2808 C PHE B 853 -18.953 21.051 7.888 1.00 27.95 C ATOM 2809 O PHE B 853 -18.115 21.381 8.745 1.00 25.11 O ATOM 2810 CB PHE B 853 -20.926 19.762 8.944 1.00 25.89 C ATOM 2811 CG PHE B 853 -20.342 19.597 10.334 1.00 26.67 C ATOM 2812 CD1 PHE B 853 -20.569 20.567 11.322 1.00 26.15 C ATOM 2813 CD2 PHE B 853 -19.584 18.498 10.642 1.00 24.42 C ATOM 2814 CE1 PHE B 853 -20.062 20.396 12.603 1.00 26.10 C ATOM 2815 CE2 PHE B 853 -19.069 18.324 11.923 1.00 26.59 C ATOM 2816 CZ PHE B 853 -19.308 19.278 12.899 1.00 25.67 C ATOM 0 H PHE B 853 -21.847 20.555 6.838 1.00 28.22 H new ATOM 0 HA PHE B 853 -20.595 21.770 8.828 1.00 28.49 H new ATOM 0 HB2 PHE B 853 -21.894 19.770 9.010 1.00 25.89 H new ATOM 0 HB3 PHE B 853 -20.684 18.990 8.409 1.00 25.89 H new ATOM 0 HD1 PHE B 853 -21.062 21.329 11.118 1.00 26.15 H new ATOM 0 HD2 PHE B 853 -19.412 17.861 9.987 1.00 24.42 H new ATOM 0 HE1 PHE B 853 -20.230 21.033 13.260 1.00 26.10 H new ATOM 0 HE2 PHE B 853 -18.565 17.569 12.124 1.00 26.59 H new ATOM 0 HZ PHE B 853 -18.960 19.165 13.754 1.00 25.67 H new ATOM 2817 N THR B 854 -18.609 20.851 6.616 1.00 28.80 N ATOM 2818 CA ATHR B 854 -17.216 21.040 6.084 0.45 28.48 C ATOM 2819 CA BTHR B 854 -17.211 20.999 6.165 0.55 29.58 C ATOM 2820 C THR B 854 -16.593 22.331 6.518 1.00 28.89 C ATOM 2821 O THR B 854 -15.381 22.423 6.772 1.00 24.21 O ATOM 2822 CB ATHR B 854 -17.140 21.000 4.513 0.45 29.46 C ATOM 2823 CB BTHR B 854 -17.098 20.708 4.643 0.55 30.73 C ATOM 2824 OG1ATHR B 854 -15.856 20.558 4.092 0.45 27.23 O ATOM 2825 OG1BTHR B 854 -18.125 21.421 3.934 0.55 39.96 O ATOM 2826 CG2ATHR B 854 -17.398 22.412 3.846 0.45 29.29 C ATOM 2827 CG2BTHR B 854 -17.289 19.271 4.406 0.55 26.97 C ATOM 0 H ATHR B 854 -19.171 20.599 6.016 0.45 28.80 H new ATOM 0 H BTHR B 854 -19.163 20.630 5.996 0.55 28.80 H new ATOM 0 HA ATHR B 854 -16.728 20.290 6.458 0.45 29.58 H new ATOM 0 HA BTHR B 854 -16.695 20.339 6.654 0.55 29.58 H new ATOM 0 HB ATHR B 854 -17.838 20.388 4.230 0.45 30.73 H new ATOM 0 HB BTHR B 854 -16.223 20.989 4.333 0.55 30.73 H new ATOM 0 HG1ATHR B 854 -15.827 20.539 3.253 0.45 39.96 H new ATOM 0 HG1BTHR B 854 -18.787 20.917 3.818 0.55 39.96 H new ATOM 0 HG21ATHR B 854 -17.340 22.330 2.881 0.45 26.97 H new ATOM 0 HG21BTHR B 854 -17.219 19.087 3.456 0.55 26.97 H new ATOM 0 HG22ATHR B 854 -18.282 22.729 4.090 0.45 26.97 H new ATOM 0 HG22BTHR B 854 -16.608 18.771 4.883 0.55 26.97 H new ATOM 0 HG23ATHR B 854 -16.731 23.044 4.157 0.45 26.97 H new ATOM 0 HG23BTHR B 854 -18.166 19.004 4.722 0.55 26.97 H new ATOM 2828 N ARG B 855 -17.420 23.364 6.611 1.00 24.85 N ATOM 2829 CA ARG B 855 -16.936 24.645 6.859 1.00 23.97 C ATOM 2830 C ARG B 855 -16.270 24.778 8.256 1.00 23.32 C ATOM 2831 O ARG B 855 -15.434 25.608 8.396 1.00 24.38 O ATOM 2832 CB ARG B 855 -18.082 25.640 6.706 1.00 28.59 C ATOM 2833 CG ARG B 855 -17.710 27.077 6.890 1.00 35.58 C ATOM 2834 CD ARG B 855 -18.944 27.939 6.526 1.00 43.72 C ATOM 2835 NE ARG B 855 -18.780 29.357 6.879 1.00 53.02 N ATOM 2836 CZ ARG B 855 -19.359 30.015 7.899 1.00 55.49 C ATOM 2837 NH1 ARG B 855 -20.211 29.433 8.780 1.00 51.22 N ATOM 2838 NH2 ARG B 855 -19.085 31.314 8.022 1.00 53.90 N ATOM 0 H ARG B 855 -18.274 23.311 6.527 1.00 24.85 H new ATOM 0 HA ARG B 855 -16.238 24.835 6.213 1.00 23.97 H new ATOM 0 HB2 ARG B 855 -18.469 25.532 5.823 1.00 28.59 H new ATOM 0 HB3 ARG B 855 -18.774 25.415 7.348 1.00 28.59 H new ATOM 0 HG2 ARG B 855 -17.439 27.243 7.806 1.00 35.58 H new ATOM 0 HG3 ARG B 855 -16.956 27.308 6.325 1.00 35.58 H new ATOM 0 HD2 ARG B 855 -19.114 27.866 5.574 1.00 43.72 H new ATOM 0 HD3 ARG B 855 -19.724 27.586 6.981 1.00 43.72 H new ATOM 0 HE ARG B 855 -18.255 29.817 6.377 1.00 53.02 H new ATOM 0 HH11 ARG B 855 -20.407 28.599 8.702 1.00 51.22 H new ATOM 0 HH12 ARG B 855 -20.555 29.898 9.416 1.00 51.22 H new ATOM 0 HH21 ARG B 855 -18.557 31.697 7.462 1.00 53.90 H new ATOM 0 HH22 ARG B 855 -19.436 31.769 8.662 1.00 53.90 H new ATOM 2839 N LEU B 856 -16.705 23.993 9.244 1.00 22.96 N ATOM 2840 CA LEU B 856 -16.066 24.013 10.595 1.00 24.10 C ATOM 2841 C LEU B 856 -14.545 23.700 10.532 1.00 23.66 C ATOM 2842 O LEU B 856 -13.727 24.347 11.188 1.00 27.78 O ATOM 2843 CB LEU B 856 -16.743 23.015 11.523 1.00 25.96 C ATOM 2844 CG LEU B 856 -17.936 23.525 12.331 1.00 28.89 C ATOM 2845 CD1 LEU B 856 -17.554 24.712 13.207 1.00 30.16 C ATOM 2846 CD2 LEU B 856 -19.044 23.928 11.380 1.00 29.35 C ATOM 0 H LEU B 856 -17.361 23.442 9.168 1.00 22.96 H new ATOM 0 HA LEU B 856 -16.176 24.913 10.941 1.00 24.10 H new ATOM 0 HB2 LEU B 856 -17.039 22.260 10.991 1.00 25.96 H new ATOM 0 HB3 LEU B 856 -16.078 22.681 12.145 1.00 25.96 H new ATOM 0 HG LEU B 856 -18.237 22.811 12.915 1.00 28.89 H new ATOM 0 HD11 LEU B 856 -18.331 25.010 13.705 1.00 30.16 H new ATOM 0 HD12 LEU B 856 -16.856 24.446 13.826 1.00 30.16 H new ATOM 0 HD13 LEU B 856 -17.231 25.436 12.648 1.00 30.16 H new ATOM 0 HD21 LEU B 856 -19.804 24.253 11.888 1.00 29.35 H new ATOM 0 HD22 LEU B 856 -18.726 24.630 10.791 1.00 29.35 H new ATOM 0 HD23 LEU B 856 -19.313 23.160 10.852 1.00 29.35 H new ATOM 2847 N GLY B 857 -14.197 22.782 9.652 1.00 23.55 N ATOM 2848 CA GLY B 857 -12.782 22.395 9.396 1.00 24.02 C ATOM 2849 C GLY B 857 -11.987 23.524 8.794 1.00 27.64 C ATOM 2850 O GLY B 857 -10.911 23.871 9.284 1.00 26.83 O ATOM 0 H GLY B 857 -14.766 22.351 9.172 1.00 23.55 H new ATOM 0 HA2 GLY B 857 -12.368 22.117 10.228 1.00 24.02 H new ATOM 0 HA3 GLY B 857 -12.760 21.631 8.799 1.00 24.02 H new ATOM 2851 N ILE B 858 -12.579 24.211 7.800 1.00 25.10 N ATOM 2852 CA ILE B 858 -11.973 25.395 7.240 1.00 25.67 C ATOM 2853 C ILE B 858 -11.737 26.482 8.274 1.00 25.69 C ATOM 2854 O ILE B 858 -10.684 27.120 8.327 1.00 24.14 O ATOM 2855 CB ILE B 858 -12.849 25.918 6.014 1.00 29.55 C ATOM 2856 CG1 ILE B 858 -12.850 24.874 4.877 1.00 34.01 C ATOM 2857 CG2 ILE B 858 -12.329 27.228 5.448 1.00 29.66 C ATOM 2858 CD1 ILE B 858 -14.016 25.025 3.917 1.00 38.90 C ATOM 0 H ILE B 858 -13.333 23.994 7.447 1.00 25.10 H new ATOM 0 HA ILE B 858 -11.092 25.153 6.915 1.00 25.67 H new ATOM 0 HB ILE B 858 -13.745 26.061 6.357 1.00 29.55 H new ATOM 0 HG12 ILE B 858 -12.020 24.947 4.380 1.00 34.01 H new ATOM 0 HG13 ILE B 858 -12.872 23.985 5.264 1.00 34.01 H new ATOM 0 HG21 ILE B 858 -12.890 27.506 4.708 1.00 29.66 H new ATOM 0 HG22 ILE B 858 -12.345 27.908 6.139 1.00 29.66 H new ATOM 0 HG23 ILE B 858 -11.419 27.107 5.135 1.00 29.66 H new ATOM 0 HD11 ILE B 858 -13.960 24.343 3.229 1.00 38.90 H new ATOM 0 HD12 ILE B 858 -14.850 24.926 4.402 1.00 38.90 H new ATOM 0 HD13 ILE B 858 -13.985 25.903 3.505 1.00 38.90 H new ATOM 2859 N GLN B 859 -12.755 26.746 9.091 1.00 26.52 N ATOM 2860 CA GLN B 859 -12.667 27.771 10.089 1.00 26.29 C ATOM 2861 C GLN B 859 -11.561 27.518 11.173 1.00 25.48 C ATOM 2862 O GLN B 859 -10.798 28.397 11.523 1.00 23.73 O ATOM 2863 CB GLN B 859 -14.031 27.909 10.777 1.00 29.12 C ATOM 2864 CG GLN B 859 -15.080 28.571 9.857 1.00 32.68 C ATOM 2865 CD GLN B 859 -16.440 28.683 10.509 1.00 32.97 C ATOM 2866 OE1 GLN B 859 -16.941 27.753 11.110 1.00 35.23 O ATOM 2867 NE2 GLN B 859 -17.034 29.841 10.389 1.00 34.65 N ATOM 0 H GLN B 859 -13.508 26.330 9.072 1.00 26.52 H new ATOM 0 HA GLN B 859 -12.412 28.586 9.630 1.00 26.29 H new ATOM 0 HB2 GLN B 859 -14.346 27.032 11.047 1.00 29.12 H new ATOM 0 HB3 GLN B 859 -13.933 28.436 11.585 1.00 29.12 H new ATOM 0 HG2 GLN B 859 -14.772 29.456 9.606 1.00 32.68 H new ATOM 0 HG3 GLN B 859 -15.159 28.055 9.039 1.00 32.68 H new ATOM 0 HE21 GLN B 859 -16.651 30.478 9.957 1.00 34.65 H new ATOM 0 HE22 GLN B 859 -17.808 29.966 10.742 1.00 34.65 H new ATOM 2868 N VAL B 860 -11.532 26.309 11.695 1.00 24.11 N ATOM 2869 CA VAL B 860 -10.545 25.989 12.722 1.00 24.07 C ATOM 2870 C VAL B 860 -9.163 25.889 12.072 1.00 22.38 C ATOM 2871 O VAL B 860 -8.206 26.354 12.697 1.00 21.68 O ATOM 2872 CB VAL B 860 -10.934 24.714 13.500 1.00 23.32 C ATOM 2873 CG1 VAL B 860 -9.859 24.341 14.520 1.00 23.39 C ATOM 2874 CG2 VAL B 860 -12.250 24.966 14.224 1.00 21.92 C ATOM 0 H VAL B 860 -12.061 25.666 11.479 1.00 24.11 H new ATOM 0 HA VAL B 860 -10.518 26.700 13.382 1.00 24.07 H new ATOM 0 HB VAL B 860 -11.024 23.980 12.873 1.00 23.32 H new ATOM 0 HG11 VAL B 860 -10.127 23.538 14.994 1.00 23.39 H new ATOM 0 HG12 VAL B 860 -9.020 24.180 14.061 1.00 23.39 H new ATOM 0 HG13 VAL B 860 -9.747 25.068 15.153 1.00 23.39 H new ATOM 0 HG21 VAL B 860 -12.506 24.171 14.717 1.00 21.92 H new ATOM 0 HG22 VAL B 860 -12.144 25.708 14.840 1.00 21.92 H new ATOM 0 HG23 VAL B 860 -12.940 25.180 13.577 1.00 21.92 H new ATOM 2875 N GLN B 861 -9.083 25.339 10.837 1.00 22.45 N ATOM 2876 CA GLN B 861 -7.759 25.345 10.128 1.00 23.68 C ATOM 2877 C GLN B 861 -7.257 26.761 9.959 1.00 22.90 C ATOM 2878 O GLN B 861 -6.057 27.037 10.137 1.00 23.86 O ATOM 2879 CB GLN B 861 -7.743 24.566 8.848 1.00 24.11 C ATOM 2880 CG GLN B 861 -6.325 24.611 8.248 1.00 26.91 C ATOM 2881 CD GLN B 861 -6.039 23.563 7.196 1.00 30.12 C ATOM 2882 OE1 GLN B 861 -6.917 22.843 6.750 1.00 32.85 O ATOM 2883 NE2 GLN B 861 -4.746 23.475 6.790 1.00 33.90 N ATOM 0 H GLN B 861 -9.735 24.977 10.409 1.00 22.45 H new ATOM 0 HA GLN B 861 -7.136 24.868 10.699 1.00 23.68 H new ATOM 0 HB2 GLN B 861 -8.008 23.647 9.012 1.00 24.11 H new ATOM 0 HB3 GLN B 861 -8.383 24.938 8.222 1.00 24.11 H new ATOM 0 HG2 GLN B 861 -6.182 25.488 7.858 1.00 26.91 H new ATOM 0 HG3 GLN B 861 -5.682 24.511 8.967 1.00 26.91 H new ATOM 0 HE21 GLN B 861 -4.153 23.999 7.126 1.00 33.90 H new ATOM 0 HE22 GLN B 861 -4.520 22.895 6.197 1.00 33.90 H new ATOM 2884 N ASP B 862 -8.153 27.737 9.707 1.00 24.92 N ATOM 2885 CA AASP B 862 -7.663 29.090 9.569 0.50 24.97 C ATOM 2886 CA BASP B 862 -7.719 29.129 9.587 0.50 25.48 C ATOM 2887 C ASP B 862 -7.146 29.686 10.859 1.00 24.73 C ATOM 2888 O ASP B 862 -6.206 30.479 10.846 1.00 25.07 O ATOM 2889 CB AASP B 862 -8.642 29.985 8.817 0.50 28.99 C ATOM 2890 CB BASP B 862 -8.843 30.051 9.138 0.50 30.94 C ATOM 2891 CG AASP B 862 -8.366 29.968 7.318 0.50 30.02 C ATOM 2892 CG BASP B 862 -8.347 31.469 8.841 0.50 33.84 C ATOM 2893 OD1AASP B 862 -8.713 28.980 6.651 0.50 27.86 O ATOM 2894 OD1BASP B 862 -7.204 31.628 8.341 0.50 40.87 O ATOM 2895 OD2AASP B 862 -7.711 30.911 6.834 0.50 37.25 O ATOM 2896 OD2BASP B 862 -9.083 32.437 9.121 0.50 39.61 O ATOM 0 H AASP B 862 -9.002 27.631 9.619 0.50 24.92 H new ATOM 0 H BASP B 862 -8.997 27.610 9.605 0.50 24.92 H new ATOM 0 HA AASP B 862 -6.874 29.034 9.007 0.50 25.48 H new ATOM 0 HA BASP B 862 -7.023 29.102 8.912 0.50 25.48 H new ATOM 0 HB2AASP B 862 -9.550 29.688 8.984 0.50 30.94 H new ATOM 0 HB2BASP B 862 -9.262 29.684 8.344 0.50 30.94 H new ATOM 0 HB3AASP B 862 -8.575 30.893 9.150 0.50 30.94 H new ATOM 0 HB3BASP B 862 -9.524 30.087 9.827 0.50 30.94 H new ATOM 2897 N ILE B 863 -7.702 29.275 11.983 1.00 23.40 N ATOM 2898 CA ILE B 863 -7.159 29.699 13.274 1.00 24.79 C ATOM 2899 C ILE B 863 -5.763 29.069 13.453 1.00 21.33 C ATOM 2900 O ILE B 863 -4.803 29.738 13.787 1.00 22.65 O ATOM 2901 CB ILE B 863 -8.106 29.204 14.393 1.00 26.39 C ATOM 2902 CG1 ILE B 863 -9.468 29.937 14.308 1.00 33.49 C ATOM 2903 CG2 ILE B 863 -7.452 29.359 15.745 1.00 27.00 C ATOM 2904 CD1 ILE B 863 -9.291 31.414 14.576 1.00 36.68 C ATOM 0 H ILE B 863 -8.386 28.756 12.029 1.00 23.40 H new ATOM 0 HA ILE B 863 -7.085 30.665 13.315 1.00 24.79 H new ATOM 0 HB ILE B 863 -8.281 28.258 14.269 1.00 26.39 H new ATOM 0 HG12 ILE B 863 -9.858 29.806 13.429 1.00 33.49 H new ATOM 0 HG13 ILE B 863 -10.087 29.558 14.952 1.00 33.49 H new ATOM 0 HG21 ILE B 863 -8.057 29.045 16.435 1.00 27.00 H new ATOM 0 HG22 ILE B 863 -6.634 28.838 15.771 1.00 27.00 H new ATOM 0 HG23 ILE B 863 -7.244 30.294 15.899 1.00 27.00 H new ATOM 0 HD11 ILE B 863 -10.151 31.859 14.519 1.00 36.68 H new ATOM 0 HD12 ILE B 863 -8.920 31.540 15.463 1.00 36.68 H new ATOM 0 HD13 ILE B 863 -8.688 31.793 13.917 1.00 36.68 H new ATOM 2905 N PHE B 864 -5.680 27.781 13.146 1.00 21.84 N ATOM 2906 CA PHE B 864 -4.321 27.129 13.235 1.00 21.51 C ATOM 2907 C PHE B 864 -3.297 27.854 12.336 1.00 21.70 C ATOM 2908 O PHE B 864 -2.264 28.246 12.781 1.00 21.83 O ATOM 2909 CB PHE B 864 -4.455 25.701 12.811 1.00 20.22 C ATOM 2910 CG PHE B 864 -3.132 25.034 12.606 1.00 23.84 C ATOM 2911 CD1 PHE B 864 -2.308 24.789 13.714 1.00 24.34 C ATOM 2912 CD2 PHE B 864 -2.667 24.764 11.331 1.00 20.50 C ATOM 2913 CE1 PHE B 864 -1.047 24.199 13.532 1.00 21.63 C ATOM 2914 CE2 PHE B 864 -1.413 24.160 11.133 1.00 23.68 C ATOM 2915 CZ PHE B 864 -0.615 23.884 12.228 1.00 20.99 C ATOM 0 H PHE B 864 -6.331 27.276 12.899 1.00 21.84 H new ATOM 0 HA PHE B 864 -3.999 27.182 14.148 1.00 21.51 H new ATOM 0 HB2 PHE B 864 -4.958 25.214 13.482 1.00 20.22 H new ATOM 0 HB3 PHE B 864 -4.966 25.658 11.987 1.00 20.22 H new ATOM 0 HD1 PHE B 864 -2.596 25.017 14.568 1.00 24.34 H new ATOM 0 HD2 PHE B 864 -3.191 24.985 10.595 1.00 20.50 H new ATOM 0 HE1 PHE B 864 -0.503 24.018 14.264 1.00 21.63 H new ATOM 0 HE2 PHE B 864 -1.123 23.948 10.275 1.00 23.68 H new ATOM 0 HZ PHE B 864 0.216 23.486 12.103 1.00 20.99 H new ATOM 2916 N GLU B 865 -3.657 28.075 11.062 1.00 22.98 N ATOM 2917 CA GLU B 865 -2.702 28.663 10.070 1.00 23.73 C ATOM 2918 C GLU B 865 -2.288 30.087 10.403 1.00 26.16 C ATOM 2919 O GLU B 865 -1.119 30.363 10.358 1.00 22.46 O ATOM 2920 CB GLU B 865 -3.210 28.566 8.617 1.00 24.97 C ATOM 2921 CG GLU B 865 -3.439 27.163 8.085 1.00 25.89 C ATOM 2922 CD GLU B 865 -2.151 26.282 7.898 1.00 26.29 C ATOM 2923 OE1 GLU B 865 -1.017 26.822 8.030 1.00 27.61 O ATOM 2924 OE2 GLU B 865 -2.319 25.064 7.633 1.00 25.43 O ATOM 0 H GLU B 865 -4.436 27.898 10.745 1.00 22.98 H new ATOM 0 HA GLU B 865 -1.907 28.112 10.139 1.00 23.73 H new ATOM 0 HB2 GLU B 865 -4.043 29.058 8.551 1.00 24.97 H new ATOM 0 HB3 GLU B 865 -2.571 29.012 8.039 1.00 24.97 H new ATOM 0 HG2 GLU B 865 -4.041 26.701 8.689 1.00 25.89 H new ATOM 0 HG3 GLU B 865 -3.891 27.230 7.230 1.00 25.89 H new ATOM 2925 N LYS B 866 -3.207 30.961 10.857 1.00 28.60 N ATOM 2926 CA LYS B 866 -2.801 32.313 11.292 1.00 30.67 C ATOM 2927 C LYS B 866 -1.943 32.248 12.516 1.00 27.01 C ATOM 2928 O LYS B 866 -1.017 33.033 12.642 1.00 26.34 O ATOM 2929 CB LYS B 866 -3.986 33.246 11.676 1.00 35.15 C ATOM 2930 CG LYS B 866 -4.969 33.584 10.576 1.00 47.06 C ATOM 2931 CD LYS B 866 -6.230 34.276 11.155 1.00 53.98 C ATOM 2932 CE LYS B 866 -6.859 35.267 10.187 1.00 53.92 C ATOM 2933 NZ LYS B 866 -7.447 34.587 9.007 1.00 52.12 N ATOM 0 H LYS B 866 -4.049 30.796 10.920 1.00 28.60 H new ATOM 0 HA LYS B 866 -2.337 32.673 10.520 1.00 30.67 H new ATOM 0 HB2 LYS B 866 -4.476 32.830 12.403 1.00 35.15 H new ATOM 0 HB3 LYS B 866 -3.619 34.076 12.020 1.00 35.15 H new ATOM 0 HG2 LYS B 866 -4.545 34.166 9.926 1.00 47.06 H new ATOM 0 HG3 LYS B 866 -5.226 32.775 10.107 1.00 47.06 H new ATOM 0 HD2 LYS B 866 -6.885 33.600 11.390 1.00 53.98 H new ATOM 0 HD3 LYS B 866 -5.992 34.738 11.974 1.00 53.98 H new ATOM 0 HE2 LYS B 866 -7.548 35.774 10.645 1.00 53.92 H new ATOM 0 HE3 LYS B 866 -6.188 35.902 9.893 1.00 53.92 H new ATOM 0 HZ1 LYS B 866 -7.868 35.184 8.499 1.00 52.12 H new ATOM 0 HZ2 LYS B 866 -6.800 34.200 8.534 1.00 52.12 H new ATOM 0 HZ3 LYS B 866 -8.026 33.968 9.279 1.00 52.12 H new ATOM 2934 N ASN B 867 -2.229 31.328 13.445 1.00 25.18 N ATOM 2935 CA ASN B 867 -1.387 31.310 14.661 1.00 24.06 C ATOM 2936 C ASN B 867 0.001 30.767 14.333 1.00 21.86 C ATOM 2937 O ASN B 867 0.971 31.214 14.896 1.00 25.79 O ATOM 2938 CB ASN B 867 -2.059 30.577 15.843 1.00 23.88 C ATOM 2939 CG ASN B 867 -3.061 31.477 16.577 1.00 23.70 C ATOM 2940 OD1 ASN B 867 -2.667 32.333 17.347 1.00 27.11 O ATOM 2941 ND2 ASN B 867 -4.310 31.331 16.276 1.00 26.31 N ATOM 0 H ASN B 867 -2.858 30.743 13.404 1.00 25.18 H new ATOM 0 HA ASN B 867 -1.281 32.225 14.965 1.00 24.06 H new ATOM 0 HB2 ASN B 867 -2.515 29.786 15.516 1.00 23.88 H new ATOM 0 HB3 ASN B 867 -1.379 30.276 16.465 1.00 23.88 H new ATOM 0 HD21 ASN B 867 -4.900 31.851 16.624 1.00 26.31 H new ATOM 0 HD22 ASN B 867 -4.551 30.714 15.727 1.00 26.31 H new ATOM 2942 N PHE B 868 0.077 29.828 13.401 1.00 23.15 N ATOM 2943 CA PHE B 868 1.366 29.238 13.001 1.00 23.09 C ATOM 2944 C PHE B 868 2.263 30.307 12.384 1.00 25.41 C ATOM 2945 O PHE B 868 3.377 30.439 12.750 1.00 22.41 O ATOM 2946 CB PHE B 868 1.065 28.124 12.009 1.00 23.55 C ATOM 2947 CG PHE B 868 2.280 27.507 11.341 1.00 26.03 C ATOM 2948 CD1 PHE B 868 3.305 26.901 12.104 1.00 24.27 C ATOM 2949 CD2 PHE B 868 2.368 27.475 9.947 1.00 27.30 C ATOM 2950 CE1 PHE B 868 4.411 26.337 11.471 1.00 25.08 C ATOM 2951 CE2 PHE B 868 3.477 26.908 9.325 1.00 31.86 C ATOM 2952 CZ PHE B 868 4.486 26.341 10.089 1.00 26.76 C ATOM 0 H PHE B 868 -0.604 29.512 12.981 1.00 23.15 H new ATOM 0 HA PHE B 868 1.839 28.878 13.767 1.00 23.09 H new ATOM 0 HB2 PHE B 868 0.577 27.424 12.469 1.00 23.55 H new ATOM 0 HB3 PHE B 868 0.478 28.474 11.320 1.00 23.55 H new ATOM 0 HD1 PHE B 868 3.241 26.879 13.032 1.00 24.27 H new ATOM 0 HD2 PHE B 868 1.682 27.834 9.432 1.00 27.30 H new ATOM 0 HE1 PHE B 868 5.096 25.960 11.975 1.00 25.08 H new ATOM 0 HE2 PHE B 868 3.541 26.909 8.397 1.00 31.86 H new ATOM 0 HZ PHE B 868 5.222 25.959 9.668 1.00 26.76 H new ATOM 2953 N ARG B 869 1.744 31.075 11.430 1.00 26.20 N ATOM 2954 CA ARG B 869 2.528 32.206 10.850 1.00 28.18 C ATOM 2955 C ARG B 869 2.937 33.237 11.891 1.00 29.19 C ATOM 2956 O ARG B 869 4.047 33.731 11.878 1.00 33.37 O ATOM 2957 CB ARG B 869 1.796 32.852 9.662 1.00 30.08 C ATOM 2958 CG ARG B 869 1.547 31.867 8.535 1.00 30.53 C ATOM 2959 CD ARG B 869 0.949 32.536 7.306 1.00 34.25 C ATOM 2960 NE ARG B 869 -0.286 33.251 7.614 1.00 36.26 N ATOM 2961 CZ ARG B 869 -1.518 32.786 7.429 1.00 36.42 C ATOM 2962 NH1 ARG B 869 -1.770 31.550 6.969 1.00 36.55 N ATOM 2963 NH2 ARG B 869 -2.528 33.567 7.760 1.00 39.41 N ATOM 0 H ARG B 869 0.957 30.974 11.099 1.00 26.20 H new ATOM 0 HA ARG B 869 3.352 31.823 10.512 1.00 28.18 H new ATOM 0 HB2 ARG B 869 0.949 33.215 9.965 1.00 30.08 H new ATOM 0 HB3 ARG B 869 2.320 33.597 9.328 1.00 30.08 H new ATOM 0 HG2 ARG B 869 2.382 31.438 8.293 1.00 30.53 H new ATOM 0 HG3 ARG B 869 0.949 31.169 8.844 1.00 30.53 H new ATOM 0 HD2 ARG B 869 1.594 33.155 6.930 1.00 34.25 H new ATOM 0 HD3 ARG B 869 0.772 31.865 6.628 1.00 34.25 H new ATOM 0 HE ARG B 869 -0.210 34.042 7.944 1.00 36.26 H new ATOM 0 HH11 ARG B 869 -1.119 31.021 6.780 1.00 36.55 H new ATOM 0 HH12 ARG B 869 -2.582 31.288 6.863 1.00 36.55 H new ATOM 0 HH21 ARG B 869 -2.378 34.349 8.084 1.00 39.41 H new ATOM 0 HH22 ARG B 869 -3.336 33.294 7.652 1.00 39.41 H new ATOM 2964 N ASN B 870 2.057 33.555 12.820 1.00 29.64 N ATOM 2965 CA ASN B 870 2.396 34.531 13.846 1.00 29.90 C ATOM 2966 C ASN B 870 3.455 34.024 14.805 1.00 30.15 C ATOM 2967 O ASN B 870 4.431 34.698 15.062 1.00 31.78 O ATOM 2968 CB ASN B 870 1.151 34.887 14.620 1.00 31.00 C ATOM 2969 CG ASN B 870 1.394 35.966 15.598 1.00 42.35 C ATOM 2970 OD1 ASN B 870 1.486 35.722 16.808 1.00 53.37 O ATOM 2971 ND2 ASN B 870 1.552 37.171 15.098 1.00 50.87 N ATOM 0 H ASN B 870 1.265 33.224 12.878 1.00 29.64 H new ATOM 0 HA ASN B 870 2.761 35.311 13.399 1.00 29.90 H new ATOM 0 HB2 ASN B 870 0.456 35.163 14.002 1.00 31.00 H new ATOM 0 HB3 ASN B 870 0.824 34.100 15.083 1.00 31.00 H new ATOM 0 HD21 ASN B 870 1.728 37.833 15.618 1.00 50.87 H new ATOM 0 HD22 ASN B 870 1.480 37.298 14.250 1.00 50.87 H new ATOM 2972 N ILE B 871 3.284 32.804 15.311 1.00 28.90 N ATOM 2973 CA ILE B 871 4.197 32.293 16.381 1.00 29.73 C ATOM 2974 C ILE B 871 5.616 32.111 15.836 1.00 27.85 C ATOM 2975 O ILE B 871 6.576 32.408 16.517 1.00 32.51 O ATOM 2976 CB ILE B 871 3.617 31.003 17.021 1.00 28.52 C ATOM 2977 CG1 ILE B 871 2.370 31.381 17.803 1.00 29.54 C ATOM 2978 CG2 ILE B 871 4.640 30.310 17.939 1.00 31.11 C ATOM 2979 CD1 ILE B 871 1.381 30.237 18.021 1.00 26.27 C ATOM 0 H ILE B 871 2.667 32.256 15.067 1.00 28.90 H new ATOM 0 HA ILE B 871 4.258 32.950 17.092 1.00 29.73 H new ATOM 0 HB ILE B 871 3.398 30.370 16.319 1.00 28.52 H new ATOM 0 HG12 ILE B 871 2.639 31.729 18.668 1.00 29.54 H new ATOM 0 HG13 ILE B 871 1.916 32.100 17.336 1.00 29.54 H new ATOM 0 HG21 ILE B 871 4.244 29.511 18.320 1.00 31.11 H new ATOM 0 HG22 ILE B 871 5.425 30.067 17.424 1.00 31.11 H new ATOM 0 HG23 ILE B 871 4.896 30.915 18.653 1.00 31.11 H new ATOM 0 HD11 ILE B 871 0.618 30.560 18.525 1.00 26.27 H new ATOM 0 HD12 ILE B 871 1.081 29.900 17.162 1.00 26.27 H new ATOM 0 HD13 ILE B 871 1.815 29.523 18.514 1.00 26.27 H new ATOM 2980 N PHE B 872 5.720 31.651 14.602 1.00 29.87 N ATOM 2981 CA PHE B 872 7.010 31.272 13.968 1.00 27.16 C ATOM 2982 C PHE B 872 7.485 32.396 13.014 1.00 32.27 C ATOM 2983 O PHE B 872 8.463 32.236 12.311 1.00 32.42 O ATOM 2984 CB PHE B 872 6.873 29.927 13.250 1.00 29.70 C ATOM 2985 CG PHE B 872 6.804 28.715 14.187 1.00 30.38 C ATOM 2986 CD1 PHE B 872 7.953 28.088 14.624 1.00 30.75 C ATOM 2987 CD2 PHE B 872 5.573 28.189 14.621 1.00 33.76 C ATOM 2988 CE1 PHE B 872 7.895 26.981 15.477 1.00 26.36 C ATOM 2989 CE2 PHE B 872 5.519 27.067 15.430 1.00 29.91 C ATOM 2990 CZ PHE B 872 6.688 26.466 15.863 1.00 29.41 C ATOM 0 H PHE B 872 5.041 31.542 14.086 1.00 29.87 H new ATOM 0 HA PHE B 872 7.688 31.166 14.654 1.00 27.16 H new ATOM 0 HB2 PHE B 872 6.073 29.945 12.702 1.00 29.70 H new ATOM 0 HB3 PHE B 872 7.626 29.815 12.649 1.00 29.70 H new ATOM 0 HD1 PHE B 872 8.781 28.407 14.346 1.00 30.75 H new ATOM 0 HD2 PHE B 872 4.782 28.602 14.360 1.00 33.76 H new ATOM 0 HE1 PHE B 872 8.682 26.593 15.784 1.00 26.36 H new ATOM 0 HE2 PHE B 872 4.696 26.716 15.683 1.00 29.91 H new ATOM 0 HZ PHE B 872 6.653 25.717 16.413 1.00 29.41 H new ATOM 2991 N ALA B 873 6.788 33.538 13.010 1.00 29.23 N ATOM 2992 CA ALA B 873 7.105 34.675 12.134 1.00 32.34 C ATOM 2993 C ALA B 873 7.302 34.312 10.666 1.00 33.49 C ATOM 2994 O ALA B 873 8.370 34.535 10.129 1.00 36.29 O ATOM 2995 CB ALA B 873 8.325 35.403 12.684 1.00 30.84 C ATOM 0 H ALA B 873 6.110 33.676 13.521 1.00 29.23 H new ATOM 0 HA ALA B 873 6.328 35.256 12.140 1.00 32.34 H new ATOM 0 HB1 ALA B 873 8.539 36.155 12.110 1.00 30.84 H new ATOM 0 HB2 ALA B 873 8.134 35.724 13.579 1.00 30.84 H new ATOM 0 HB3 ALA B 873 9.079 34.794 12.714 1.00 30.84 H new ATOM 2996 N ILE B 874 6.319 33.665 10.054 1.00 36.35 N ATOM 2997 CA ILE B 874 6.452 33.174 8.674 1.00 42.03 C ATOM 2998 C ILE B 874 6.166 34.406 7.822 1.00 49.16 C ATOM 2999 O ILE B 874 5.269 35.177 8.185 1.00 45.98 O ATOM 3000 CB ILE B 874 5.419 32.090 8.313 1.00 42.35 C ATOM 3001 CG1 ILE B 874 5.529 30.856 9.235 1.00 48.34 C ATOM 3002 CG2 ILE B 874 5.527 31.689 6.849 1.00 41.33 C ATOM 3003 CD1 ILE B 874 6.559 29.854 8.844 1.00 51.10 C ATOM 0 H ILE B 874 5.558 33.496 10.418 1.00 36.35 H new ATOM 0 HA ILE B 874 7.324 32.771 8.540 1.00 42.03 H new ATOM 0 HB ILE B 874 4.541 32.478 8.454 1.00 42.35 H new ATOM 0 HG12 ILE B 874 5.722 31.161 10.135 1.00 48.34 H new ATOM 0 HG13 ILE B 874 4.666 30.415 9.264 1.00 48.34 H new ATOM 0 HG21 ILE B 874 4.866 31.007 6.651 1.00 41.33 H new ATOM 0 HG22 ILE B 874 5.369 32.465 6.288 1.00 41.33 H new ATOM 0 HG23 ILE B 874 6.415 31.340 6.674 1.00 41.33 H new ATOM 0 HD11 ILE B 874 6.554 29.120 9.478 1.00 51.10 H new ATOM 0 HD12 ILE B 874 6.361 29.516 7.957 1.00 51.10 H new ATOM 0 HD13 ILE B 874 7.434 30.273 8.842 1.00 51.10 H new ATOM 3004 N GLN B 875 6.934 34.601 6.742 1.00 58.05 N ATOM 3005 CA GLN B 875 6.666 35.625 5.700 1.00 67.17 C ATOM 3006 C GLN B 875 5.160 35.764 5.275 1.00 85.20 C ATOM 3007 O GLN B 875 4.447 34.752 5.104 1.00 85.71 O ATOM 3008 CB GLN B 875 7.518 35.324 4.452 1.00 66.08 C ATOM 3009 CG GLN B 875 7.239 33.973 3.750 1.00 68.53 C ATOM 3010 CD GLN B 875 7.331 34.045 2.206 1.00 72.51 C ATOM 3011 OE1 GLN B 875 8.166 34.770 1.648 1.00 75.30 O ATOM 3012 NE2 GLN B 875 6.474 33.293 1.518 1.00 63.93 N ATOM 0 H GLN B 875 7.640 34.136 6.586 1.00 58.05 H new ATOM 0 HA GLN B 875 6.906 36.474 6.104 1.00 67.17 H new ATOM 0 HB2 GLN B 875 7.381 36.037 3.809 1.00 66.08 H new ATOM 0 HB3 GLN B 875 8.454 35.349 4.707 1.00 66.08 H new ATOM 0 HG2 GLN B 875 7.871 33.313 4.074 1.00 68.53 H new ATOM 0 HG3 GLN B 875 6.354 33.664 4.000 1.00 68.53 H new ATOM 0 HE21 GLN B 875 5.905 32.799 1.934 1.00 63.93 H new ATOM 0 HE22 GLN B 875 6.489 33.301 0.658 1.00 63.93 H new ATOM 3013 N GLU B 876 4.691 37.013 5.112 1.00 96.22 N ATOM 3014 CA GLU B 876 3.298 37.310 4.693 1.00 96.55 C ATOM 3015 C GLU B 876 3.193 37.399 3.167 1.00 99.52 C ATOM 3016 O GLU B 876 3.839 36.635 2.439 1.00 96.82 O ATOM 3017 CB GLU B 876 2.796 38.618 5.325 1.00 90.50 C ATOM 0 H GLU B 876 5.170 37.716 5.241 1.00 96.22 H new ATOM 0 HA GLU B 876 2.739 36.581 5.004 1.00 96.55 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.384 7.818 4.189 1.00 26.81 ZN2+ HETATM 3020 ZN ZN A 902 22.604 -6.402 2.769 1.00 33.60 ZN2+ HETATM 3021 ZN ZN A 903 34.729 -20.393 14.660 0.43 77.48 ZN2+ HETATM 3022 O1 MES A 904 19.181 32.244 23.553 0.59 33.61 O HETATM 3023 C2 MES A 904 18.716 31.873 24.836 0.59 32.18 C HETATM 3024 C3 MES A 904 18.826 30.376 24.984 0.59 32.60 C HETATM 3025 N4 MES A 904 17.977 29.702 23.985 0.59 32.01 N HETATM 3026 C5 MES A 904 18.250 30.126 22.582 0.59 32.77 C HETATM 3027 C6 MES A 904 18.660 31.593 22.392 0.59 34.23 C HETATM 3028 C7 MES A 904 17.956 28.197 24.062 0.59 29.44 C HETATM 3029 C8 MES A 904 18.079 27.575 25.446 0.59 27.40 C HETATM 3030 S MES A 904 17.343 26.045 25.589 0.59 27.66 S HETATM 3031 O1S MES A 904 17.966 25.226 26.661 0.59 28.19 O HETATM 3032 O2S MES A 904 17.390 25.333 24.305 0.59 24.36 O HETATM 3033 O3S MES A 904 15.942 26.337 26.013 0.59 24.89 O HETATM 0 HN4 MES A 904 17.192 29.973 24.209 0.59 32.01 H new HETATM 0 H82 MES A 904 19.019 27.493 25.671 0.59 27.40 H new HETATM 0 H81 MES A 904 17.683 28.176 26.096 0.59 27.40 H new HETATM 0 H72 MES A 904 17.128 27.886 23.664 0.59 29.44 H new HETATM 0 H71 MES A 904 18.680 27.857 23.513 0.59 29.44 H new HETATM 0 H62 MES A 904 17.887 32.090 22.081 0.59 34.23 H new HETATM 0 H61 MES A 904 19.327 31.637 21.689 0.59 34.23 H new HETATM 0 H52 MES A 904 18.954 29.563 22.223 0.59 32.77 H new HETATM 0 H51 MES A 904 17.455 29.959 22.052 0.59 32.77 H new HETATM 0 H32 MES A 904 19.749 30.100 24.872 0.59 32.60 H new HETATM 0 H31 MES A 904 18.557 30.112 25.878 0.59 32.60 H new HETATM 0 H22 MES A 904 19.238 32.317 25.523 0.59 32.18 H new HETATM 0 H21 MES A 904 17.795 32.155 24.953 0.59 32.18 H new HETATM 3034 C1 EDO A 905 31.777 -0.456 32.001 1.00 67.04 C HETATM 3035 O1 EDO A 905 30.386 -0.072 31.940 1.00 75.02 O HETATM 3036 C2 EDO A 905 31.954 -1.910 32.369 1.00 60.32 C HETATM 3037 O2 EDO A 905 33.128 -2.485 31.757 1.00 51.97 O HETATM 0 HO2 EDO A 905 33.781 -1.967 31.862 1.00 51.97 H new HETATM 0 HO1 EDO A 905 30.099 -0.182 31.158 1.00 75.02 H new HETATM 0 H22 EDO A 905 32.020 -1.993 33.333 1.00 60.32 H new HETATM 0 H21 EDO A 905 31.169 -2.410 32.094 1.00 60.32 H new HETATM 0 H12 EDO A 905 32.195 -0.289 31.142 1.00 67.04 H new HETATM 0 H11 EDO A 905 32.235 0.098 32.652 1.00 67.04 H new HETATM 3038 ZN ZN B 901 -10.263 25.209 30.980 1.00 23.17 ZN2+ HETATM 3039 ZN ZN B 902 0.992 34.506 32.185 1.00 27.25 ZN2+ HETATM 3040 C1 EDO B 903 12.816 26.611 28.500 1.00 49.80 C HETATM 3041 O1 EDO B 903 11.596 26.210 29.122 1.00 42.12 O HETATM 3042 C2 EDO B 903 12.730 26.414 26.995 1.00 52.66 C HETATM 3043 O2 EDO B 903 11.974 27.486 26.425 1.00 51.81 O HETATM 0 HO2 EDO B 903 11.378 27.727 26.966 1.00 51.81 H new HETATM 0 HO1 EDO B 903 11.484 25.385 29.014 1.00 42.12 H new HETATM 0 H22 EDO B 903 13.620 26.390 26.609 1.00 52.66 H new HETATM 0 H21 EDO B 903 12.310 25.564 26.792 1.00 52.66 H new HETATM 0 H12 EDO B 903 12.998 27.542 28.701 1.00 49.80 H new HETATM 0 H11 EDO B 903 13.554 26.094 28.859 1.00 49.80 H new HETATM 3044 O HOH A1001 16.143 23.537 27.502 1.00 87.24 O HETATM 3045 O HOH A1002 44.957 1.313 23.336 1.00 35.00 O HETATM 3046 O HOH A1003 19.558 25.273 33.142 1.00 45.95 O HETATM 3047 O HOH A1004 19.020 5.258 28.978 1.00 42.27 O HETATM 3048 O HOH A1005 16.910 -1.767 9.596 1.00 37.66 O HETATM 3049 O HOH A1006 36.352 0.752 30.355 1.00 46.92 O HETATM 3050 O HOH A1007 34.806 4.874 6.825 1.00 34.86 O HETATM 3051 O HOH A1008 19.496 -11.426 2.291 1.00 43.70 O HETATM 3052 O HOH A1009 46.111 -6.935 17.947 1.00 47.58 O HETATM 3053 O HOH A1010 19.410 -0.255 27.617 1.00 58.35 O HETATM 3054 O HOH A1011 14.057 4.932 26.749 1.00 54.81 O HETATM 3055 O HOH A1012 30.081 -8.092 33.771 1.00 72.58 O HETATM 3056 O HOH A1013 18.967 11.179 -2.639 1.00 39.37 O HETATM 3057 O HOH A1014 32.403 21.867 20.189 1.00 26.34 O HETATM 3058 O HOH A1015 29.926 -17.093 27.274 1.00 62.84 O HETATM 3059 O HOH A1016 30.983 21.227 13.430 1.00 31.34 O HETATM 3060 O HOH A1017 19.547 15.903 33.997 1.00 46.83 O HETATM 3061 O HOH A1018 33.273 23.667 30.205 1.00 68.06 O HETATM 3062 O HOH A1019 30.358 -5.838 -1.038 1.00 67.44 O HETATM 3063 O HOH A1020 20.901 34.001 24.139 1.00 91.43 O HETATM 3064 O HOH A1021 15.414 3.089 16.755 1.00 26.45 O HETATM 3065 O HOH A1022 14.607 10.734 8.266 1.00 38.26 O HETATM 3066 O HOH A1023 23.058 8.730 -2.035 1.00 31.15 O HETATM 3067 O HOH A1024 15.061 -4.590 -6.547 1.00 60.13 O HETATM 3068 O HOH A1025 34.829 -1.444 7.991 1.00 22.19 O HETATM 3069 O HOH A1026 35.387 10.171 25.570 1.00 25.46 O HETATM 3070 O HOH A1027 30.927 6.808 -0.670 1.00 44.13 O HETATM 3071 O HOH A1028 17.134 27.455 32.575 1.00 63.62 O HETATM 3072 O HOH A1029 16.084 15.561 34.785 1.00 47.68 O HETATM 3073 O HOH A1030 29.258 14.930 30.959 1.00 37.42 O HETATM 3074 O HOH A1031 23.076 -8.933 26.599 1.00 50.14 O HETATM 3075 O HOH A1032 19.357 -5.635 12.464 1.00 59.11 O HETATM 3076 O BHOH A1033 19.177 12.795 29.853 0.64 29.20 O HETATM 3077 O HOH A1034 14.703 4.401 23.503 1.00 30.60 O HETATM 3078 O HOH A1035 24.689 -1.464 -5.095 1.00 63.34 O HETATM 3079 O HOH A1036 20.007 11.475 12.311 1.00 26.22 O HETATM 3080 O HOH A1037 35.620 -1.767 31.569 1.00 36.25 O HETATM 3081 O HOH A1038 19.766 24.304 24.041 1.00 37.39 O HETATM 3082 O HOH A1039 25.580 22.099 14.493 1.00 32.81 O HETATM 3083 O HOH A1040 14.238 4.646 29.489 1.00 57.19 O HETATM 3084 O HOH A1041 17.361 -12.614 28.389 1.00 40.21 O HETATM 3085 O HOH A1042 26.128 18.807 35.994 1.00 53.75 O HETATM 3086 O HOH A1043 31.973 8.348 28.368 1.00 18.40 O HETATM 3087 O HOH A1044 40.241 -7.238 18.596 1.00 29.13 O HETATM 3088 O BHOH A1045 21.074 8.230 29.675 0.92 49.52 O HETATM 3089 O HOH A1046 28.822 -15.985 29.714 1.00 42.44 O HETATM 3090 O HOH A1047 37.058 13.002 14.728 1.00 51.17 O HETATM 3091 O HOH A1048 26.562 -3.835 28.560 1.00 25.85 O HETATM 3092 O HOH A1049 39.566 -10.008 24.442 1.00 34.16 O HETATM 3093 O HOH A1050 37.494 11.254 22.710 1.00 38.29 O HETATM 3094 O HOH A1051 34.196 -13.891 21.010 1.00 55.03 O HETATM 3095 O HOH A1052 24.578 17.811 24.962 1.00 24.05 O HETATM 3096 O HOH A1053 10.909 6.489 25.768 1.00 52.60 O HETATM 3097 O HOH A1054 10.397 0.571 -0.179 1.00 86.43 O HETATM 3098 O HOH A1055 18.805 26.625 18.186 1.00 63.39 O HETATM 3099 O HOH A1056 21.462 26.372 37.824 1.00 54.64 O HETATM 3100 O HOH A1057 13.119 6.366 14.067 1.00 31.22 O HETATM 3101 O HOH A1058 17.827 -8.222 27.707 1.00 42.61 O HETATM 3102 O HOH A1059 31.578 -9.961 21.194 1.00 27.36 O HETATM 3103 O HOH A1060 7.043 17.118 26.531 1.00 46.97 O HETATM 3104 O HOH A1061 40.031 12.207 6.704 1.00 73.28 O HETATM 3105 O HOH A1062 24.209 -13.435 22.184 1.00 28.79 O HETATM 3106 O HOH A1063 14.383 1.200 7.886 1.00 49.92 O HETATM 3107 O HOH A1064 28.930 -10.677 3.880 1.00 48.00 O HETATM 3108 O HOH A1065 22.439 17.598 15.885 1.00 27.72 O HETATM 3109 O HOH A1066 23.281 -13.428 18.203 1.00 73.05 O HETATM 3110 O HOH A1067 26.250 20.728 31.835 1.00 30.58 O HETATM 3111 O HOH A1068 32.808 6.232 5.291 1.00 46.92 O HETATM 3112 O HOH A1069 25.704 8.045 29.103 1.00 33.58 O HETATM 3113 O HOH A1070 23.592 -7.979 29.779 1.00 38.75 O HETATM 3114 O HOH A1071 32.333 -16.484 22.377 1.00 53.57 O HETATM 3115 O HOH A1072 20.016 -7.046 26.096 1.00 35.69 O HETATM 3116 O HOH A1073 24.880 27.535 28.976 1.00 27.44 O HETATM 3117 O HOH A1074 34.146 -12.004 27.457 1.00 27.33 O HETATM 3118 O HOH A1075 25.675 15.650 23.657 1.00 16.73 O HETATM 3119 O HOH A1076 9.619 7.965 3.270 1.00 62.92 O HETATM 3120 O HOH A1077 16.293 -0.152 2.670 1.00 33.21 O HETATM 3121 O HOH A1078 22.830 -8.103 10.358 1.00 41.29 O HETATM 3122 O BHOH A1079 21.119 11.136 28.581 0.62 23.15 O HETATM 3123 O HOH A1080 19.644 -7.842 -3.276 1.00 46.63 O HETATM 3124 O HOH A1081 26.259 11.441 8.975 1.00 39.37 O HETATM 3125 O HOH A1082 31.071 -11.702 19.195 1.00 45.43 O HETATM 3126 O HOH A1083 27.988 -11.181 1.216 1.00 53.42 O HETATM 3127 O HOH A1084 35.209 17.849 21.935 1.00 32.33 O HETATM 3128 O HOH A1085 24.382 17.430 19.087 1.00 19.12 O HETATM 3129 O HOH A1086 31.799 -10.058 7.004 1.00 42.15 O HETATM 3130 O HOH A1087 28.982 7.189 6.544 1.00 27.71 O HETATM 3131 O HOH A1088 23.433 -14.203 33.733 1.00 29.53 O HETATM 3132 O HOH A1089 30.449 -21.150 23.304 1.00 26.40 O HETATM 3133 O HOH A1090 26.864 -9.524 31.431 1.00 39.67 O HETATM 3134 O HOH A1091 14.675 1.674 23.549 1.00 47.82 O HETATM 3135 O HOH A1092 35.584 -20.198 19.557 1.00 55.87 O HETATM 3136 O HOH A1093 35.125 3.440 -2.753 1.00 81.46 O HETATM 3137 O HOH A1094 9.258 9.667 22.359 1.00 30.34 O HETATM 3138 O HOH A1095 21.824 -4.154 -5.979 1.00 56.77 O HETATM 3139 O HOH A1096 42.033 1.758 14.573 1.00 47.02 O HETATM 3140 O HOH A1097 34.238 4.141 9.260 1.00 20.40 O HETATM 3141 O HOH A1098 28.657 11.301 -4.585 1.00 54.55 O HETATM 3142 O HOH A1099 31.894 -4.201 33.494 1.00 47.29 O HETATM 3143 O HOH A1100 24.045 -11.301 20.412 1.00 38.95 O HETATM 3144 O HOH A1101 15.468 25.681 22.387 1.00 23.41 O HETATM 3145 O HOH A1102 27.453 -1.193 31.334 1.00 41.39 O HETATM 3146 O HOH A1103 28.186 17.111 23.830 1.00 17.63 O HETATM 3147 O HOH A1104 17.745 1.728 15.786 1.00 20.62 O HETATM 3148 O HOH A1105 36.537 -3.396 9.088 1.00 27.97 O HETATM 3149 O HOH A1106 40.519 0.033 12.849 1.00 26.76 O HETATM 3150 O HOH A1107 35.865 11.569 18.718 1.00 31.02 O HETATM 3151 O HOH A1108 20.660 -9.263 8.689 1.00 49.93 O HETATM 3152 O HOH A1109 30.503 21.944 32.649 1.00 45.73 O HETATM 3153 O HOH A1110 30.049 22.401 21.548 1.00 24.24 O HETATM 3154 O HOH A1111 20.099 -6.161 -5.436 1.00 57.90 O HETATM 3155 O HOH A1112 12.996 5.225 19.843 1.00 43.90 O HETATM 3156 O HOH A1113 11.529 20.756 26.324 1.00 27.88 O HETATM 3157 O HOH A1114 40.436 -0.123 10.273 1.00 34.78 O HETATM 3158 O HOH A1115 32.015 16.633 28.984 1.00 21.85 O HETATM 3159 O HOH A1116 14.384 -0.189 27.970 1.00 53.49 O HETATM 3160 O HOH A1117 25.647 23.222 34.221 1.00 41.74 O HETATM 3161 O HOH A1118 16.817 8.089 11.325 1.00 31.50 O HETATM 3162 O HOH A1119 39.134 -8.679 12.893 1.00 36.15 O HETATM 3163 O HOH A1120 24.559 -2.028 27.971 1.00 23.03 O HETATM 3164 O HOH A1121 48.312 -0.725 24.437 1.00 49.41 O HETATM 3165 O HOH A1122 37.483 -2.902 30.277 1.00 37.37 O HETATM 3166 O HOH A1123 37.702 8.286 25.628 1.00 38.83 O HETATM 3167 O HOH A1124 31.281 12.766 9.560 1.00 41.35 O HETATM 3168 O HOH A1125 32.070 -15.811 24.882 1.00 41.41 O HETATM 3169 O HOH A1126 17.685 -0.442 17.129 1.00 26.73 O HETATM 3170 O HOH A1127 23.402 -10.260 23.228 1.00 57.45 O HETATM 3171 O HOH A1128 37.656 7.982 23.035 1.00 28.70 O HETATM 3172 O HOH A1129 44.144 3.385 15.355 1.00 45.05 O HETATM 3173 O HOH A1130 21.320 -9.409 24.066 1.00 74.82 O HETATM 3174 O HOH A1131 24.244 -8.579 15.263 1.00 42.07 O HETATM 3175 O HOH A1132 34.532 -13.703 9.430 1.00 44.56 O HETATM 3176 O HOH A1133 29.808 -2.830 3.298 1.00 28.88 O HETATM 3177 O HOH A1134 28.755 0.141 -4.959 1.00 54.43 O HETATM 3178 O HOH A1135 15.597 3.503 10.178 1.00 28.92 O HETATM 3179 O HOH A1136 33.762 -14.853 12.135 1.00 45.86 O HETATM 3180 O HOH A1137 42.525 -7.074 21.474 1.00 35.08 O HETATM 3181 O HOH A1138 30.004 -11.974 15.718 1.00 36.54 O HETATM 3182 O HOH A1139 27.960 27.135 28.284 1.00 33.93 O HETATM 3183 O HOH A1140 24.652 7.349 9.048 1.00 24.72 O HETATM 3184 O HOH A1141 39.886 -7.822 25.540 1.00 29.00 O HETATM 3185 O HOH A1142 26.463 5.384 30.514 1.00 46.24 O HETATM 3186 O HOH A1143 20.705 -0.480 29.579 1.00 39.92 O HETATM 3187 O HOH A1144 32.443 6.081 10.043 1.00 23.58 O HETATM 3188 O HOH A1145 19.993 -6.415 23.352 1.00 28.43 O HETATM 3189 O HOH A1146 26.813 -20.889 10.883 1.00 49.59 O HETATM 3190 O HOH A1147 12.269 7.738 16.882 1.00 44.07 O HETATM 3191 O HOH A1148 31.625 25.108 29.678 1.00 53.24 O HETATM 3192 O HOH A1149 13.539 5.801 11.981 1.00 46.52 O HETATM 3193 O HOH A1150 25.775 -18.242 13.333 1.00 65.50 O HETATM 3194 O HOH A1151 21.464 -5.065 16.546 1.00 28.55 O HETATM 3195 O HOH A1152 22.344 17.911 23.484 1.00 28.07 O HETATM 3196 O HOH A1153 36.654 -12.530 22.836 1.00 46.40 O HETATM 3197 O HOH A1154 20.796 3.286 28.807 1.00 42.22 O HETATM 3198 O HOH A1155 17.734 -5.477 26.409 1.00 28.66 O HETATM 3199 O HOH A1156 29.028 -7.593 31.201 1.00 27.14 O HETATM 3200 O HOH A1157 32.164 -6.521 32.575 1.00 29.79 O HETATM 3201 O HOH A1158 15.323 -4.834 27.493 1.00 41.96 O HETATM 3202 O HOH A1159 27.752 -15.075 4.008 1.00 58.11 O HETATM 3203 O HOH A1160 31.556 18.212 31.274 1.00 31.99 O HETATM 3204 O HOH A1161 26.971 18.830 30.112 1.00 22.44 O HETATM 3205 O HOH A1162 20.048 19.067 20.008 1.00 31.80 O HETATM 3206 O HOH A1163 19.751 30.869 27.624 1.00101.01 O HETATM 3207 O HOH A1164 25.055 9.341 -3.557 1.00 52.54 O HETATM 3208 O HOH A1165 38.862 -9.576 15.347 1.00 37.36 O HETATM 3209 O HOH A1166 38.055 3.528 8.635 1.00 43.77 O HETATM 3210 O HOH A1167 17.993 30.280 28.635 1.00 36.62 O HETATM 3211 O HOH A1168 22.428 0.295 -6.450 1.00 48.12 O HETATM 3212 O HOH A1169 12.840 -2.653 27.256 1.00 49.46 O HETATM 3213 O HOH A1170 26.987 -8.961 15.823 1.00 38.65 O HETATM 3214 O HOH A1171 33.366 -12.293 7.287 1.00 49.65 O HETATM 3215 O HOH A1172 24.134 10.448 1.252 1.00 33.69 O HETATM 3216 O HOH A1173 38.923 3.407 14.778 1.00 23.67 O HETATM 3217 O HOH A1174 15.886 28.194 28.266 1.00 34.86 O HETATM 3218 O HOH A1175 24.180 15.687 10.211 1.00 41.07 O HETATM 3219 O HOH A1176 22.012 25.988 23.995 1.00 30.03 O HETATM 3220 O HOH A1177 30.389 23.349 26.089 1.00 40.17 O HETATM 3221 O HOH A1178 21.123 19.935 22.034 1.00 28.81 O HETATM 3222 O HOH A1179 31.318 17.041 12.611 1.00 23.64 O HETATM 3223 O HOH A1180 17.283 -1.797 27.582 1.00 47.04 O HETATM 3224 O HOH A1181 21.537 -13.504 14.904 1.00 58.97 O HETATM 3225 O HOH A1182 25.421 15.746 20.896 1.00 17.25 O HETATM 3226 O HOH A1183 28.593 17.676 11.524 1.00 27.91 O HETATM 3227 O HOH A1184 28.328 17.539 34.701 1.00 51.72 O HETATM 3228 O HOH A1185 28.875 -10.267 13.846 1.00 40.16 O HETATM 3229 O HOH A1186 20.030 9.361 10.233 1.00 25.20 O HETATM 3230 O HOH A1187 16.806 4.278 30.539 1.00 58.07 O HETATM 3231 O HOH A1188 39.962 4.782 25.909 1.00 45.11 O HETATM 3232 O HOH A1189 25.324 -12.525 5.162 1.00 50.72 O HETATM 3233 O HOH A1190 33.674 -8.774 34.137 1.00 63.91 O HETATM 3234 O HOH A1191 35.208 1.083 -4.210 1.00 65.84 O HETATM 3235 O HOH A1192 21.114 -8.394 29.837 1.00 59.85 O HETATM 3236 O HOH A1193 40.733 4.198 21.560 1.00 29.21 O HETATM 3237 O HOH A1194 32.269 3.290 28.869 1.00 24.51 O HETATM 3238 O HOH A1195 34.796 21.679 16.615 1.00 50.21 O HETATM 3239 O HOH A1196 21.197 17.153 12.813 1.00 44.51 O HETATM 3240 O HOH A1197 24.349 9.283 30.451 1.00 45.97 O HETATM 3241 O HOH A1198 28.437 19.924 12.901 1.00 27.92 O HETATM 3242 O HOH A1199 25.631 2.703 30.287 1.00 43.77 O HETATM 3243 O HOH A1200 23.679 18.794 36.031 1.00 52.28 O HETATM 3244 O HOH A1201 30.500 -13.886 29.860 1.00 41.91 O HETATM 3245 O HOH A1202 21.516 -12.903 35.809 1.00 59.70 O HETATM 3246 O HOH A1203 44.353 5.499 21.183 1.00 38.28 O HETATM 3247 O HOH A1204 25.449 29.656 33.399 1.00 41.67 O HETATM 3248 O HOH A1205 22.200 5.881 32.456 1.00 53.11 O HETATM 3249 O HOH A1206 30.591 -3.256 -12.838 1.00 51.07 O HETATM 3250 O HOH A1207 27.558 -11.151 33.279 1.00 55.00 O HETATM 3251 O HOH A1208 16.451 22.514 35.410 1.00 51.10 O HETATM 3252 O HOH A1209 35.734 18.049 15.280 1.00 67.75 O HETATM 3253 O HOH A1210 35.898 19.279 18.259 1.00 69.84 O HETATM 3254 O HOH A1211 17.384 -2.734 -7.273 1.00 66.23 O HETATM 3255 O HOH A1212 22.263 20.224 16.370 1.00 49.46 O HETATM 3256 O HOH A1213 45.112 -6.297 24.036 1.00 54.36 O HETATM 3257 O HOH A1214 20.278 -8.721 22.055 1.00 42.89 O HETATM 3258 O HOH A1215 19.247 27.041 20.837 1.00 57.78 O HETATM 3259 O HOH A1216 39.822 4.959 29.765 1.00 48.15 O HETATM 3260 O HOH A1217 37.878 -8.344 31.517 1.00 46.37 O HETATM 3261 O HOH A1218 33.309 15.408 12.187 1.00 46.27 O HETATM 3262 O HOH A1219 22.661 22.592 20.592 1.00 34.23 O HETATM 3263 O HOH A1220 20.889 28.410 22.924 1.00 34.73 O HETATM 3264 O HOH A1221 15.471 27.282 30.614 1.00 51.26 O HETATM 3265 O HOH A1222 18.345 13.895 34.147 1.00 59.78 O HETATM 3266 O HOH A1223 31.247 -5.114 1.041 1.00 58.59 O HETATM 3267 O HOH A1224 33.350 9.207 4.456 1.00 53.40 O HETATM 3268 O HOH A1225 29.483 -0.550 -8.457 1.00 73.69 O HETATM 3269 O HOH A1226 18.146 -1.178 11.737 1.00 40.53 O HETATM 3270 O HOH A1227 36.439 8.188 29.095 1.00 65.38 O HETATM 3271 O HOH A1228 18.153 24.962 35.489 1.00 53.60 O HETATM 3272 O HOH A1229 5.802 19.024 30.270 1.00 45.09 O HETATM 3273 O HOH A1230 40.580 3.169 23.645 1.00 44.01 O HETATM 3274 O HOH A1231 10.544 21.262 30.462 1.00 43.73 O HETATM 3275 O HOH A1232 34.633 2.529 29.932 1.00 39.97 O HETATM 3276 O HOH A1233 34.358 23.126 26.178 1.00 57.96 O HETATM 3277 O HOH A1234 28.921 13.610 9.127 1.00 49.76 O HETATM 3278 O HOH A1235 23.109 -10.311 12.029 1.00 54.75 O HETATM 3279 O HOH A1236 17.953 28.394 27.933 1.00110.78 O HETATM 3280 O HOH A1237 31.310 11.330 31.787 1.00 33.75 O HETATM 3281 O HOH A1238 34.036 4.906 2.864 1.00 44.49 O HETATM 3282 O HOH A1239 33.261 1.749 31.370 1.00 55.71 O HETATM 3283 O HOH A1240 14.674 2.041 12.505 1.00 41.19 O HETATM 3284 O HOH A1241 21.579 -9.537 5.919 1.00 47.02 O HETATM 3285 O HOH A1242 37.834 12.240 28.433 1.00 72.21 O HETATM 3286 O HOH A1243 34.536 6.047 31.170 1.00 51.24 O HETATM 3287 O HOH A1244 20.983 31.073 19.571 1.00 46.81 O HETATM 3288 O HOH A1245 30.181 9.897 34.231 1.00 43.02 O HETATM 3289 O HOH A1246 24.191 -12.287 -4.583 1.00 59.64 O HETATM 3290 O HOH A1247 31.569 13.983 31.763 1.00 32.85 O HETATM 3291 O HOH A1248 23.310 -11.688 3.619 1.00 65.92 O HETATM 3292 O HOH A1249 13.641 3.451 14.517 1.00 35.97 O HETATM 3293 O HOH A1250 14.530 35.390 31.023 1.00 54.78 O HETATM 3294 O HOH A1251 27.503 -5.415 31.251 1.00 39.43 O HETATM 3295 O HOH A1252 34.306 9.787 28.161 1.00 35.29 O HETATM 3296 O HOH A1253 33.883 -14.594 26.539 1.00 39.20 O HETATM 3297 O HOH A1254 33.937 -12.558 18.675 1.00 51.17 O HETATM 3298 O HOH A1255 22.747 10.807 3.612 1.00 37.64 O HETATM 3299 O HOH A1256 29.984 9.772 29.901 1.00 26.05 O HETATM 3300 O HOH A1257 39.907 10.162 26.060 1.00 44.35 O HETATM 3301 O HOH A1258 22.137 30.507 21.883 1.00 46.64 O HETATM 3302 O HOH A1259 24.313 5.670 32.165 1.00 52.12 O HETATM 3303 O HOH A1260 32.187 -17.912 25.857 1.00 60.27 O HETATM 3304 O HOH A1261 44.540 5.291 23.603 1.00 51.33 O HETATM 3305 O HOH A1262 34.970 20.469 14.714 1.00 51.07 O HETATM 3306 O HOH A1263 37.048 15.623 21.454 1.00 53.45 O HETATM 3307 O HOH A1264 32.890 -14.599 29.403 1.00 47.20 O HETATM 3308 O HOH A1265 17.510 -10.840 -0.588 1.00 57.94 O HETATM 3309 O HOH A1266 31.483 6.842 7.563 1.00 26.60 O HETATM 3310 O HOH A1267 21.047 -13.012 4.036 1.00 79.87 O HETATM 3311 O HOH A1268 26.662 21.860 12.180 1.00 43.39 O HETATM 3312 O HOH A1269 32.827 9.361 7.053 1.00 42.21 O HETATM 3313 O HOH A1270 22.965 2.863 30.945 1.00 58.39 O HETATM 3314 O HOH A1271 28.832 17.790 31.656 1.00 30.91 O HETATM 3315 O HOH A1272 28.196 7.897 30.925 1.00 34.70 O HETATM 3316 O HOH A1273 24.338 -1.290 30.630 1.00 47.04 O HETATM 3317 O HOH A1274 24.752 20.771 10.392 1.00 57.65 O HETATM 3318 O HOH A1275 18.687 -6.745 29.890 1.00 54.50 O HETATM 3319 O HOH A1276 30.711 25.871 26.838 1.00 39.75 O HETATM 3320 O HOH A1277 32.740 -19.940 23.151 1.00 46.16 O HETATM 3321 O HOH A1278 23.642 12.080 5.300 1.00 46.01 O HETATM 3322 O HOH A1279 22.610 23.067 17.943 1.00 66.59 O HETATM 3323 O HOH A1280 37.727 13.305 20.243 1.00 55.14 O HETATM 3324 O HOH A1281 13.121 5.882 21.722 1.00 55.45 O HETATM 3325 O HOH A1282 36.989 18.876 23.610 1.00 38.96 O HETATM 3326 O HOH A1283 35.566 22.212 23.578 1.00 55.84 O HETATM 3327 O HOH A1284 18.189 11.542 4.549 1.00 50.21 O HETATM 3328 O HOH A1285 43.347 -8.398 19.148 1.00 54.52 O HETATM 3329 O HOH A1286 12.916 8.703 31.050 1.00 42.82 O HETATM 3330 O HOH A1287 23.476 11.165 8.417 1.00 41.53 O HETATM 3331 O HOH A1288 22.733 11.076 -1.147 1.00 53.79 O HETATM 3332 O HOH A1289 34.515 20.285 20.640 1.00 33.59 O HETATM 3333 O HOH A1290 16.308 10.319 10.457 1.00 33.14 O HETATM 3334 O HOH A1291 10.352 13.642 31.410 1.00 52.02 O HETATM 3335 O HOH A1292 40.633 -7.846 28.370 1.00 52.02 O HETATM 3336 O HOH A1293 35.450 15.780 13.507 1.00 56.62 O HETATM 3337 O HOH A1294 33.897 14.944 29.915 1.00 25.93 O HETATM 3338 O HOH A1295 14.000 1.042 17.732 1.00 47.73 O HETATM 3339 O HOH A1296 20.629 -2.322 -7.622 1.00 60.97 O HETATM 3340 O HOH A1297 31.296 14.784 34.363 1.00 60.57 O HETATM 3341 O HOH A1298 15.231 0.105 30.740 1.00 58.64 O HETATM 3342 O HOH A1299 34.247 23.835 21.385 1.00 45.93 O HETATM 3343 O HOH A1300 22.481 -8.036 12.835 1.00 64.24 O HETATM 3344 O HOH A1301 35.710 -12.125 29.875 1.00 46.76 O HETATM 3345 O HOH A1302 22.194 8.985 8.421 1.00 33.08 O HETATM 3346 O HOH A1303 24.410 10.906 -5.727 1.00 59.98 O HETATM 3347 O HOH A1304 40.104 6.834 22.217 1.00 34.15 O HETATM 3348 O HOH A1305 22.300 13.133 10.530 1.00 43.59 O HETATM 3349 O HOH A1306 25.318 -5.556 30.254 1.00 39.38 O HETATM 3350 O HOH A1307 31.924 5.921 29.836 1.00 26.18 O HETATM 3351 O HOH A1308 16.530 0.416 13.526 1.00 32.41 O HETATM 3352 O HOH A1309 19.874 -15.095 2.325 1.00 67.21 O HETATM 3353 O HOH A1310 33.263 17.601 33.396 1.00 42.98 O HETATM 3354 O HOH A1311 29.879 5.672 31.298 1.00 39.92 O HETATM 3355 O HOH A1312 34.961 12.287 29.323 1.00 32.19 O HETATM 3356 O HOH A1313 9.616 11.415 33.726 1.00 70.48 O HETATM 3357 O HOH A1314 14.431 7.392 32.999 1.00 52.75 O HETATM 3358 O HOH B1001 11.490 29.159 27.128 1.00 84.41 O HETATM 3359 O HOH B1002 -13.069 14.070 10.710 1.00 34.04 O HETATM 3360 O HOH B1003 -13.767 20.925 5.112 1.00 52.75 O HETATM 3361 O HOH B1004 -5.977 18.340 2.355 1.00 61.30 O HETATM 3362 O HOH B1005 -13.422 30.546 38.558 1.00 44.60 O HETATM 3363 O HOH B1006 -15.581 5.698 12.833 1.00 59.51 O HETATM 3364 O HOH B1007 1.782 9.178 22.007 1.00 49.17 O HETATM 3365 O HOH B1008 0.012 18.953 35.895 1.00 32.90 O HETATM 3366 O HOH B1009 -13.019 28.944 39.941 1.00 56.88 O HETATM 3367 O HOH B1010 -9.867 7.719 21.567 1.00 45.25 O HETATM 3368 O HOH B1011 -10.261 31.512 18.307 1.00 33.07 O HETATM 3369 O HOH B1012 -14.487 15.758 23.047 1.00 63.02 O HETATM 3370 O HOH B1013 3.334 13.179 9.379 1.00 45.16 O HETATM 3371 O HOH B1014 -4.280 7.414 13.847 1.00 51.34 O HETATM 3372 O HOH B1015 -6.353 34.483 25.109 1.00 37.38 O HETATM 3373 O HOH B1016 16.525 26.316 10.579 1.00 61.95 O HETATM 3374 O HOH B1017 14.050 29.609 26.689 1.00 30.72 O HETATM 3375 O HOH B1018 3.917 17.926 28.393 1.00 35.12 O HETATM 3376 O HOH B1019 14.512 37.262 20.817 1.00 50.36 O HETATM 3377 O HOH B1020 10.477 31.647 28.297 1.00 30.05 O HETATM 3378 O HOH B1021 3.587 18.892 25.867 1.00 26.61 O HETATM 3379 O HOH B1022 -19.643 21.763 1.866 1.00 74.42 O HETATM 3380 O HOH B1023 -2.926 17.585 30.184 1.00 50.22 O HETATM 3381 O HOH B1024 -9.053 5.998 15.198 1.00 64.64 O HETATM 3382 O HOH B1025 -19.321 30.077 12.505 1.00 35.95 O HETATM 3383 O HOH B1026 -1.337 34.747 21.198 1.00 57.59 O HETATM 3384 O HOH B1027 6.182 23.970 3.606 1.00 47.48 O HETATM 3385 O HOH B1028 11.393 23.730 28.360 1.00 32.08 O HETATM 3386 O HOH B1029 -6.507 27.671 6.209 1.00 52.88 O HETATM 3387 O HOH B1030 1.578 40.764 32.594 1.00 52.64 O HETATM 3388 O HOH B1031 -21.356 13.290 11.722 1.00 45.17 O HETATM 3389 O HOH B1032 -8.194 40.359 38.652 1.00 59.68 O HETATM 3390 O HOH B1033 0.829 11.543 27.674 1.00 34.79 O HETATM 3391 O HOH B1034 -8.526 42.264 40.891 0.50102.18 O HETATM 3392 O HOH B1035 0.659 13.127 9.694 1.00 25.53 O HETATM 3393 O HOH B1036 -15.664 29.789 18.071 1.00 38.45 O HETATM 3394 O HOH B1037 -21.622 14.571 3.407 1.00 62.44 O HETATM 3395 O HOH B1038 19.479 20.023 17.284 1.00 40.14 O HETATM 3396 O HOH B1039 -11.930 22.102 22.782 1.00 33.98 O HETATM 3397 O HOH B1040 8.357 28.157 2.709 1.00 45.06 O HETATM 3398 O HOH B1041 1.834 26.745 3.346 1.00 49.18 O HETATM 3399 O HOH B1042 -13.651 31.164 15.365 1.00 43.62 O HETATM 3400 O HOH B1043 -1.749 11.787 27.118 1.00 53.07 O HETATM 3401 O HOH B1044 -12.546 33.715 25.472 1.00 70.71 O HETATM 3402 O HOH B1045 3.835 20.167 32.619 1.00 44.16 O HETATM 3403 O HOH B1046 -0.279 35.834 8.257 1.00 54.85 O HETATM 3404 O HOH B1047 10.530 11.711 13.885 1.00 44.86 O HETATM 3405 O HOH B1048 -10.421 35.776 31.104 1.00 47.49 O HETATM 3406 O HOH B1049 14.924 33.834 27.037 1.00 41.80 O HETATM 3407 O HOH B1050 7.988 19.714 5.187 1.00 58.59 O HETATM 3408 O HOH B1051 7.614 23.541 29.479 1.00 44.49 O HETATM 3409 O HOH B1052 7.591 22.737 27.131 1.00 22.62 O HETATM 3410 O HOH B1053 8.621 33.986 31.129 1.00 58.29 O HETATM 3411 O HOH B1054 -12.261 27.068 23.785 1.00 40.56 O HETATM 3412 O HOH B1055 -4.203 10.673 23.273 1.00 35.08 O HETATM 3413 O HOH B1056 11.099 18.085 22.154 1.00 24.68 O HETATM 3414 O HOH B1057 15.313 24.359 9.352 1.00 43.51 O HETATM 3415 O HOH B1058 -10.319 10.950 1.207 1.00 55.86 O HETATM 3416 O HOH B1059 3.277 24.734 32.713 1.00 31.01 O HETATM 3417 O HOH B1060 13.470 38.361 27.155 1.00 36.04 O HETATM 3418 O HOH B1061 -5.591 20.378 5.923 1.00 36.64 O HETATM 3419 O HOH B1062 10.021 23.120 25.989 1.00 22.47 O HETATM 3420 O HOH B1063 2.717 29.179 6.418 1.00 28.80 O HETATM 3421 O HOH B1064 4.427 39.379 38.667 1.00 61.39 O HETATM 3422 O HOH B1065 -14.601 10.237 20.721 1.00 44.77 O HETATM 3423 O HOH B1066 -14.653 4.408 9.682 1.00 68.42 O HETATM 3424 O HOH B1067 -11.380 33.571 29.400 1.00 53.96 O HETATM 3425 O HOH B1068 -11.676 30.979 11.426 1.00 34.51 O HETATM 3426 O HOH B1069 15.292 24.024 16.386 1.00 43.01 O HETATM 3427 O HOH B1070 13.429 31.341 7.189 1.00 60.98 O HETATM 3428 O HOH B1071 8.076 15.271 4.955 1.00 53.44 O HETATM 3429 O HOH B1072 -0.934 16.542 6.759 1.00 20.37 O HETATM 3430 O HOH B1073 -2.401 19.855 28.620 1.00 23.30 O HETATM 3431 O HOH B1074 -12.745 14.827 16.112 1.00 24.76 O HETATM 3432 O HOH B1075 -0.081 10.061 20.729 1.00 37.21 O HETATM 3433 O HOH B1076 -13.538 30.219 23.360 1.00 46.94 O HETATM 3434 O HOH B1077 -0.163 11.857 16.642 1.00 36.59 O HETATM 3435 O HOH B1078 8.422 39.211 29.101 1.00 75.11 O HETATM 3436 O HOH B1079 -9.514 23.257 5.930 1.00 52.36 O HETATM 3437 O HOH B1080 -14.564 15.840 12.163 1.00 31.86 O HETATM 3438 O HOH B1081 -10.622 14.879 11.564 1.00 28.23 O HETATM 3439 O HOH B1082 -7.705 22.282 37.132 1.00 27.35 O HETATM 3440 O HOH B1083 5.201 37.117 13.969 1.00 50.18 O HETATM 3441 O HOH B1084 -7.768 31.047 19.188 1.00 24.05 O HETATM 3442 O HOH B1085 -4.742 14.240 25.293 1.00 26.75 O HETATM 3443 O HOH B1086 -9.934 33.180 11.652 1.00 50.57 O HETATM 3444 O HOH B1087 10.140 21.828 4.606 1.00 46.50 O HETATM 3445 O HOH B1088 2.773 37.704 41.113 1.00 64.05 O HETATM 3446 O HOH B1089 -15.781 25.564 26.813 1.00 35.75 O HETATM 3447 O HOH B1090 -2.361 5.439 9.575 1.00 62.07 O HETATM 3448 O HOH B1091 -5.516 35.008 19.144 1.00 55.20 O HETATM 3449 O HOH B1092 -14.326 15.852 19.307 1.00 33.04 O HETATM 3450 O HOH B1093 -23.266 14.856 6.785 1.00 50.46 O HETATM 3451 O HOH B1094 -15.874 31.877 8.891 1.00 58.10 O HETATM 3452 O HOH B1095 -14.069 30.688 20.526 1.00 30.73 O HETATM 3453 O HOH B1096 7.165 14.810 9.317 1.00 46.42 O HETATM 3454 O HOH B1097 15.703 12.464 12.145 1.00 36.38 O HETATM 3455 O HOH B1098 -0.853 37.378 39.039 1.00 55.53 O HETATM 3456 O HOH B1099 0.746 36.450 41.666 1.00 48.28 O HETATM 3457 O HOH B1100 11.208 18.334 25.085 1.00 26.91 O HETATM 3458 O HOH B1101 15.578 29.586 19.621 1.00 55.26 O HETATM 3459 O HOH B1102 -26.904 17.726 6.975 1.00 36.40 O HETATM 3460 O HOH B1103 17.020 22.371 13.860 1.00 31.94 O HETATM 3461 O HOH B1104 -5.902 22.316 26.093 1.00 25.86 O HETATM 3462 O HOH B1105 -11.207 13.942 -2.605 1.00 47.24 O HETATM 3463 O HOH B1106 3.699 13.540 12.053 1.00 40.21 O HETATM 3464 O HOH B1107 -7.857 33.691 32.148 1.00 29.12 O HETATM 3465 O HOH B1108 -9.929 1.775 9.154 1.00 66.94 O HETATM 3466 O HOH B1109 -20.371 9.485 11.665 1.00 49.52 O HETATM 3467 O HOH B1110 8.979 28.745 41.129 1.00 55.87 O HETATM 3468 O HOH B1111 0.003 29.122 6.760 1.00 32.79 O HETATM 3469 O HOH B1112 2.321 11.305 13.718 1.00 38.00 O HETATM 3470 O HOH B1113 -10.583 15.149 14.337 1.00 24.67 O HETATM 3471 O HOH B1114 -0.432 33.959 17.929 1.00 40.47 O HETATM 3472 O HOH B1115 -9.365 12.212 11.492 1.00 24.15 O HETATM 3473 O HOH B1116 -18.570 29.764 18.792 1.00 90.93 O HETATM 3474 O HOH B1117 -7.921 36.876 30.361 1.00 49.98 O HETATM 3475 O HOH B1118 -17.016 16.072 15.692 1.00 33.50 O HETATM 3476 O HOH B1119 12.230 43.371 23.306 1.00 58.36 O HETATM 3477 O HOH B1120 13.082 30.193 19.424 1.00 44.40 O HETATM 3478 O HOH B1121 10.684 15.658 5.200 1.00 61.13 O HETATM 3479 O HOH B1122 -13.402 6.225 20.337 1.00 78.13 O HETATM 3480 O HOH B1123 -3.716 10.257 5.312 1.00 44.09 O HETATM 3481 O HOH B1124 -16.263 24.233 22.998 1.00 29.55 O HETATM 3482 O HOH B1125 4.165 27.160 31.740 1.00 26.13 O HETATM 3483 O HOH B1126 -10.713 31.103 24.726 1.00 27.93 O HETATM 3484 O HOH B1127 -6.229 9.812 6.266 1.00 35.67 O HETATM 3485 O HOH B1128 -27.830 25.729 5.384 1.00 52.29 O HETATM 3486 O HOH B1129 17.480 35.984 21.041 1.00 49.06 O HETATM 3487 O HOH B1130 -6.763 20.306 38.863 1.00 40.55 O HETATM 3488 O HOH B1131 6.692 37.481 30.115 1.00 36.60 O HETATM 3489 O HOH B1132 -10.233 33.671 27.231 1.00 44.83 O HETATM 3490 O HOH B1133 -6.345 32.796 17.721 1.00 23.36 O HETATM 3491 O HOH B1134 10.461 38.231 31.023 1.00 46.14 O HETATM 3492 O HOH B1135 1.053 18.438 25.097 1.00 21.20 O HETATM 3493 O HOH B1136 -16.473 24.351 35.376 1.00 53.79 O HETATM 3494 O HOH B1137 -9.449 12.028 23.536 1.00 30.34 O HETATM 3495 O HOH B1138 -16.969 14.857 13.355 1.00 34.82 O HETATM 3496 O HOH B1139 -10.963 10.262 22.041 1.00 27.08 O HETATM 3497 O HOH B1140 1.563 19.224 38.444 1.00 64.04 O HETATM 3498 O HOH B1141 -4.467 30.704 6.239 1.00 47.48 O HETATM 3499 O HOH B1142 -6.205 37.718 28.196 1.00 42.13 O HETATM 3500 O HOH B1143 8.532 14.613 13.638 1.00 25.21 O HETATM 3501 O HOH B1144 14.146 25.957 3.171 1.00 59.86 O HETATM 3502 O HOH B1145 2.423 20.176 6.185 1.00 30.93 O HETATM 3503 O HOH B1146 11.733 13.251 19.549 1.00 35.01 O HETATM 3504 O HOH B1147 11.167 15.659 20.656 1.00 37.34 O HETATM 3505 O HOH B1148 2.311 35.845 24.356 1.00 37.82 O HETATM 3506 O HOH B1149 7.698 16.534 20.334 1.00 21.40 O HETATM 3507 O HOH B1150 -8.728 4.160 10.331 1.00 74.51 O HETATM 3508 O HOH B1151 2.955 36.182 21.972 1.00 61.55 O HETATM 3509 O HOH B1152 -4.485 36.642 24.685 1.00 45.71 O HETATM 3510 O HOH B1153 19.523 18.091 10.615 1.00 58.74 O HETATM 3511 O HOH B1154 -2.136 24.984 4.688 1.00 51.78 O HETATM 3512 O HOH B1155 -7.472 18.200 26.112 1.00 40.34 O HETATM 3513 O HOH B1156 -0.574 35.590 11.216 1.00 40.32 O HETATM 3514 O HOH B1157 -11.455 21.259 6.530 1.00 47.69 O HETATM 3515 O HOH B1158 -5.691 30.576 41.027 1.00 41.04 O HETATM 3516 O HOH B1159 12.055 15.471 7.550 1.00 66.94 O HETATM 3517 O HOH B1160 17.968 41.824 16.342 1.00 45.03 O HETATM 3518 O HOH B1161 -25.217 16.257 3.385 1.00 53.53 O HETATM 3519 O HOH B1162 -3.516 21.871 4.589 1.00 54.99 O HETATM 3520 O HOH B1163 -10.899 23.816 24.887 1.00 28.12 O HETATM 3521 O HOH B1164 -24.755 20.167 8.968 1.00 28.88 O HETATM 3522 O HOH B1165 -7.924 20.206 33.950 1.00 27.30 O HETATM 3523 O HOH B1166 -6.910 10.665 22.680 1.00 22.96 O HETATM 3524 O HOH B1167 7.086 32.811 37.514 1.00 49.06 O HETATM 3525 O HOH B1168 1.710 18.287 29.556 1.00 29.09 O HETATM 3526 O HOH B1169 -17.896 30.389 33.005 1.00 44.10 O HETATM 3527 O HOH B1170 -11.608 16.404 25.076 1.00 41.98 O HETATM 3528 O HOH B1171 10.205 29.165 29.010 1.00 25.68 O HETATM 3529 O HOH B1172 6.694 28.330 34.596 1.00 37.30 O HETATM 3530 O HOH B1173 11.367 39.849 28.773 1.00 45.57 O HETATM 3531 O HOH B1174 8.703 9.414 17.917 1.00 68.38 O HETATM 3532 O HOH B1175 6.179 30.465 3.472 1.00 48.87 O HETATM 3533 O HOH B1176 -20.683 24.355 27.676 1.00 48.71 O HETATM 3534 O HOH B1177 7.981 35.055 33.333 1.00 46.37 O HETATM 3535 O HOH B1178 -14.888 18.046 22.835 1.00 56.55 O HETATM 3536 O HOH B1179 1.258 28.302 47.401 1.00 55.06 O HETATM 3537 O HOH B1180 11.249 28.791 0.857 1.00 60.34 O HETATM 3538 O HOH B1181 -17.561 12.448 15.192 1.00 52.06 O HETATM 3539 O HOH B1182 10.892 28.454 31.242 1.00 73.58 O HETATM 3540 O HOH B1183 -8.657 8.209 3.660 1.00 61.91 O HETATM 3541 O HOH B1184 -25.551 20.415 3.858 1.00 41.40 O HETATM 3542 O HOH B1185 -1.378 36.285 14.163 1.00 60.55 O HETATM 3543 O HOH B1186 1.333 35.027 19.929 1.00 70.89 O HETATM 3544 O HOH B1187 -11.232 7.387 14.017 1.00 44.17 O HETATM 3545 O HOH B1188 0.216 9.303 15.616 1.00 37.36 O HETATM 3546 O HOH B1189 4.871 38.483 31.774 1.00 62.36 O HETATM 3547 O HOH B1190 1.764 37.563 28.843 1.00 33.18 O HETATM 3548 O HOH B1191 7.750 21.983 2.898 1.00 46.78 O HETATM 3549 O HOH B1192 -20.028 29.059 31.735 1.00 53.62 O HETATM 3550 O HOH B1193 9.237 13.564 29.296 1.00 44.79 O HETATM 3551 O HOH B1194 2.554 16.804 4.142 1.00 60.75 O HETATM 3552 O HOH B1195 9.252 15.388 11.615 1.00 44.14 O HETATM 3553 O HOH B1196 -8.064 39.994 36.038 1.00 64.20 O HETATM 3554 O HOH B1197 8.738 30.742 36.468 1.00 63.98 O HETATM 3555 O HOH B1198 3.208 10.777 16.578 1.00 50.11 O HETATM 3556 O HOH B1199 -21.186 12.975 5.987 1.00 47.93 O HETATM 3557 O HOH B1200 -12.371 31.197 8.499 1.00 58.12 O HETATM 3558 O HOH B1201 -7.775 19.941 3.793 1.00 57.10 O HETATM 3559 O HOH B1202 1.117 31.910 46.696 1.00 51.77 O HETATM 3560 O HOH B1203 -10.152 32.764 22.865 1.00 34.56 O HETATM 3561 O HOH B1204 -4.727 26.213 4.432 1.00 73.66 O HETATM 3562 O HOH B1205 1.438 37.587 26.398 1.00 49.11 O HETATM 3563 O HOH B1206 -3.857 8.859 25.095 1.00 59.95 O HETATM 3564 O HOH B1207 -3.338 16.627 5.382 1.00 35.65 O HETATM 3565 O HOH B1208 0.563 40.123 30.206 1.00 67.82 O HETATM 3566 O HOH B1209 -4.826 6.142 17.941 1.00 65.67 O HETATM 3567 O HOH B1210 -9.343 20.725 31.522 1.00 26.45 O HETATM 3568 O HOH B1211 -4.194 39.029 29.652 1.00 45.55 O HETATM 3569 O HOH B1212 9.263 30.129 32.741 1.00 62.31 O HETATM 3570 O HOH B1213 -3.465 13.979 3.941 1.00 50.24 O HETATM 3571 O HOH B1214 -5.160 14.489 31.476 1.00 60.07 O HETATM 3572 O HOH B1215 -17.044 29.029 25.738 1.00 59.61 O HETATM 3573 O HOH B1216 -11.821 32.415 20.310 1.00 37.49 O HETATM 3574 O HOH B1217 -3.048 14.644 27.356 1.00 44.43 O HETATM 3575 O HOH B1218 -0.443 6.598 7.593 1.00 58.37 O HETATM 3576 O HOH B1219 -13.403 10.228 23.224 1.00 60.38 O HETATM 3577 O HOH B1220 -19.999 12.540 -2.036 1.00 58.24 O HETATM 3578 O HOH B1221 -9.943 20.962 35.802 1.00 41.46 O HETATM 3579 O HOH B1222 -15.852 13.904 18.764 1.00 44.38 O HETATM 3580 O HOH B1223 -5.544 33.112 23.315 1.00 33.88 O HETATM 3581 O HOH B1224 -1.941 8.780 27.182 1.00 70.88 O HETATM 3582 O HOH B1225 -14.117 30.613 12.931 1.00 43.33 O HETATM 3583 O HOH B1226 -0.782 15.802 27.695 1.00 39.08 O HETATM 3584 O HOH B1227 -0.292 13.651 6.901 1.00 46.00 O HETATM 3585 O HOH B1228 -14.039 33.776 23.800 1.00 45.38 O HETATM 3586 O HOH B1229 -3.584 19.139 4.222 1.00 48.86 O HETATM 3587 O HOH B1230 -2.216 36.672 22.829 1.00 50.19 O HETATM 3588 O HOH B1231 15.052 36.439 28.255 1.00 41.61 O HETATM 3589 O HOH B1232 -0.271 18.439 27.476 1.00 22.05 O HETATM 3590 O HOH B1233 -1.934 40.570 29.990 1.00 65.11 O HETATM 3591 O HOH B1234 4.443 10.796 8.195 1.00 65.18 O HETATM 3592 O HOH B1235 -10.113 21.671 4.160 1.00 83.14 O HETATM 3593 O HOH B1236 6.708 39.339 34.142 1.00 58.17 O HETATM 3594 O HOH B1237 16.257 26.761 20.079 1.00 43.86 O HETATM 3595 O HOH B1238 -4.696 16.134 29.129 1.00 40.65 O HETATM 3596 O HOH B1239 13.190 31.891 27.976 1.00 30.74 O HETATM 3597 O HOH B1240 17.968 31.213 19.233 1.00 73.89 O HETATM 3598 O HOH B1241 -4.253 28.743 4.887 1.00 64.17 O HETATM 3599 O HOH B1242 3.397 30.721 4.086 1.00 50.98 O HETATM 3600 O HOH B1243 -1.376 39.925 41.109 1.00 57.59 O HETATM 3601 O HOH B1244 -20.733 6.093 17.571 1.00 76.24 O HETATM 3602 O HOH B1245 -16.749 31.501 16.104 1.00 59.18 O HETATM 3603 O HOH B1246 -7.694 8.069 22.711 1.00 45.85 O HETATM 3604 O HOH B1247 -2.949 8.849 21.734 1.00 50.79 O HETATM 3605 O HOH B1248 -8.816 22.787 26.683 1.00 22.69 O HETATM 3606 O HOH B1249 -9.401 20.231 26.528 1.00 52.84 O HETATM 3607 O HOH B1250 6.311 12.906 12.942 1.00 52.35 O HETATM 3608 O HOH B1251 -9.936 34.116 16.977 1.00 43.53 O HETATM 3609 O HOH B1252 -1.328 20.274 3.816 1.00 43.27 O HETATM 3610 O HOH B1253 -7.726 32.869 21.417 1.00 29.27 O HETATM 3611 O HOH B1254 9.148 36.327 36.341 1.00 75.13 O HETATM 3612 O HOH B1255 -11.424 19.633 24.432 1.00 48.23 O HETATM 3613 O HOH B1256 14.480 45.224 21.432 1.00 46.21 O HETATM 3614 O HOH B1257 0.608 18.412 5.315 1.00 35.32 O HETATM 3615 O HOH B1258 8.151 35.036 38.930 1.00 73.95 O HETATM 3616 O HOH B1259 0.301 34.604 -0.401 1.00 91.96 O HETATM 3617 O HOH B1260 -4.637 7.227 20.263 1.00 59.69 O HETATM 3618 O HOH B1261 -10.672 34.862 14.163 1.00 76.79 O HETATM 3619 O HOH B1262 -12.701 35.219 20.326 1.00 58.36 O HETATM 3620 O HOH B1263 19.674 12.693 7.122 1.00 54.69 O HETATM 3621 O HOH B1264 -12.726 21.374 27.999 1.00 51.69 O HETATM 3622 O HOH B1265 -8.014 7.331 25.691 1.00 59.31 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 454 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 454 CONECT 3022 3023 3027 CONECT 3023 3022 3024 CONECT 3024 3023 3025 CONECT 3025 3024 3026 3028 CONECT 3026 3025 3027 CONECT 3027 3022 3026 CONECT 3028 3025 3029 CONECT 3029 3028 3030 CONECT 3030 3029 3031 3032 3033 CONECT 3031 3030 CONECT 3032 3030 CONECT 3033 3030 CONECT 3034 3035 3036 CONECT 3035 3034 CONECT 3036 3034 3037 CONECT 3037 3036 CONECT 3038 1578 1600 1743 1771 CONECT 3039 1680 1701 1881 1906 CONECT 3040 3041 3042 CONECT 3041 3040 CONECT 3042 3040 3043 CONECT 3043 3042 END