USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=91 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZE TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 110) 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 5PZE 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. 1.82 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) : 1.82 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.01 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 39166 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) : 0.171 REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 2033 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) : 1.82 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.87 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2915 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.03 REMARK 3 BIN R VALUE (WORKING SET) : 0.2770 REMARK 3 BIN FREE R VALUE SET COUNT : 151 REMARK 3 BIN FREE R VALUE : 0.3150 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) : 32.82 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.90000 REMARK 3 B22 (A**2) : 0.15000 REMARK 3 B33 (A**2) : 0.56000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.31000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.121 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.118 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.087 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.940 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.955 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.020 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.749 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.066 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.330 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.640 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.328 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;14.800 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.122 ; 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 ; 3.544 ; 3.040 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.540 ; 3.035 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.533 ; 4.528 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 5PZE 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_1001401304. 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 : 41199 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.820 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 (%) : 97.5 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.07400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.82 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.87 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 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 (%): 55.31 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 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 63.89500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.72500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.89500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.72500 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 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 O2 EDO B 903 O HOH B 1001 1.58 REMARK 500 NH2 ARG A 803 O HOH A 1001 1.81 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.88 REMARK 500 O HOH B 1010 O HOH B 1026 1.99 REMARK 500 O HOH A 1169 O HOH A 1240 2.02 REMARK 500 NH1 ARG A 803 O HOH A 1003 2.10 REMARK 500 O HOH A 1157 O HOH A 1240 2.12 REMARK 500 OH TYR B 801 O HOH B 1002 2.14 REMARK 500 O HOH B 1155 O HOH B 1185 2.19 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 1214 O HOH B 1214 2555 0.84 REMARK 500 O HOH A 1069 O HOH A 1219 1565 1.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 763 CD GLU A 763 OE1 -0.085 REMARK 500 GLU B 780 CD GLU B 780 OE2 0.074 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 742 CA - CB - SG ANGL. DEV. = 7.6 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.3 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 -125.93 -108.94 REMARK 500 LYS A 737 94.88 67.86 REMARK 500 ARG A 849 -115.52 51.52 REMARK 500 ASN B 738 97.72 -172.45 REMARK 500 CYS B 754 87.85 -156.63 REMARK 500 PRO B 755 103.18 -59.04 REMARK 500 SER B 757 -173.53 -55.39 REMARK 500 GLN B 758 39.53 -66.68 REMARK 500 TYR B 801 -97.05 -118.44 REMARK 500 ASN B 802 75.71 -118.37 REMARK 500 GLU B 804 -89.81 -137.67 REMARK 500 ARG B 849 -111.28 51.29 REMARK 500 GLN B 875 136.50 -38.72 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 756 148.53 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 A1314 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH A1315 DISTANCE = 6.40 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.18 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.72 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 110.9 REMARK 620 3 HIS A 725 ND1 100.3 97.4 REMARK 620 4 CYS A 728 SG 112.2 117.7 116.2 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 110.7 REMARK 620 3 CYS A 742 SG 111.2 106.3 REMARK 620 4 CYS A 745 SG 105.5 104.9 118.0 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 OE1 116.9 REMARK 620 3 GLU A 756 OE2 120.2 53.8 REMARK 620 N 1 2 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 114.3 REMARK 620 3 HIS B 725 ND1 100.4 97.5 REMARK 620 4 CYS B 728 SG 111.3 117.1 114.3 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 111.5 REMARK 620 3 CYS B 742 SG 113.6 106.4 REMARK 620 4 CYS B 745 SG 106.8 102.6 115.5 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 5PZE A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZE 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 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 CYS B 788 1 17 HELIX 13 AB4 ASP B 789 LYS B 791 5 3 HELIX 14 AB5 SER B 792 SER B 797 1 6 HELIX 15 AB6 TRP B 814 GLU B 824 1 11 HELIX 16 AB7 ARG B 829 ARG B 849 1 21 HELIX 17 AB8 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 PHE A 715 CYS A 716 0 SHEET 2 AA1 2 SER A 723 PHE A 724 -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 2.30 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.19 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.15 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.25 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.44 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.39 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.83 LINK OE1 GLU A 756 ZN ZN A 903 1555 1555 2.61 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.15 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.30 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.37 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.18 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.35 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.16 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.37 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.34 CISPEP 1 ILE A 730 PRO A 731 0 -7.64 CISPEP 2 ASN A 738 PRO A 739 0 -11.16 CISPEP 3 ILE B 730 PRO B 731 0 -13.46 CISPEP 4 ASN B 738 PRO B 739 0 15.75 CISPEP 5 ARG B 803 GLU B 804 0 -7.86 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 15 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 15 HOH A1037 HOH A1069 HOH A1091 HOH A1143 SITE *** AC4 15 HOH A1157 HOH A1240 ARG B 753 PRO B 773 SITE *** AC4 15 GLU B 774 EDO B 903 HOH B1230 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1027 SITE *** AC5 6 HOH A1089 HOH A1224 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 6 MES A 904 ARG B 746 PRO B 773 GLU B 774 SITE *** AC8 6 HOH B1001 HOH B1046 CRYST1 127.790 45.450 83.390 90.00 102.23 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 0.007825 0.000000 0.001696 0.00000 SCALE2 0.000000 0.022002 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012270 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= -0.209 K(o=-0.22,f=-1.6) USER MOD Set 1.2: B 875 GLN : amide:sc= -0.012 X(o=-0.22,f=-0.36) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 169:sc= 0.159 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.148 K(o=0.31,f=-1.3) USER MOD Set 3.1: B 821 SER OG : rot 74:sc= 1.21 USER MOD Set 3.2: B 826 MET CE B:methyl 176:sc= -0.115 (180deg=-0.127) USER MOD Set 4.1: B 813 MET CE :methyl 150:sc= -0.416 (180deg=-0.786) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -28:sc= 1.27 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.73 K(o=3,f=2.1) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -159:sc= 0.521 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.25 K(o=1.8,f=-0.86) USER MOD Set 7.1: B 771 MET CE :methyl 174:sc= 0 (180deg=-0.024) USER MOD Set 7.2: B 779 CYS SG : rot 137:sc= 0.294 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.564 K(o=1.2,f=-1.2) USER MOD Set 8.2: B 732 SER OG : rot -122:sc= 0.644 USER MOD Set 9.1: B 716 CYS SG A: rot -64:sc= 0.048 USER MOD Set 9.2: B 723 SER OG : rot 150:sc= 1.13 USER MOD Set10.1: B 719 THR OG1 : rot 78:sc= 2.28 USER MOD Set10.2: B 741 SER OG : rot -64:sc= 1.26 USER MOD Set11.1: A 791 LYS NZ :NH3+ -172:sc= 1.89 (180deg=1.12) USER MOD Set11.2: A 859 GLN : amide:sc= 0.641 K(o=2.5,f=-2.5!) USER MOD Set12.1: A 787 TYR OH : rot 8:sc= 1.26 USER MOD Set12.2: A 816 ASN : amide:sc= 2.29 K(o=3.5,f=3) USER MOD Set13.1: A 771 MET CE :methyl 178:sc= 0 (180deg=-0.00562) USER MOD Set13.2: A 779 CYS SG : rot -98:sc= 0.364 USER MOD Set14.1: A 736 ASN : amide:sc= -0.0131 K(o=-0.57,f=-2) USER MOD Set14.2: A 738 ASN : amide:sc= -0.558 K(o=-0.57,f=-2.8!) USER MOD Set15.1: A 727 HIS : no HD1:sc= 0.893 K(o=2.2,f=-4.5!) USER MOD Set15.2: A 732 SER OG : rot -119:sc= 1.33 USER MOD Set16.1: A 719 THR OG1 : rot 85:sc= 2.25 USER MOD Set16.2: A 741 SER OG : rot -64:sc= 1.27 USER MOD Set17.1: A 716 CYS SG : rot -47:sc= 0.0505 USER MOD Set17.2: A 723 SER OG : rot 146:sc= 1.19 USER MOD Single : A 701 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.33) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= -0.0179 K(o=-0.018,f=-0.65) USER MOD Single : A 709 ASN : amide:sc= 0.342 X(o=0.34,f=0.046) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.56 K(o=1.6,f=-8.2!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 THR OG1 : rot 76:sc= 0.0995 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 754 CYS SG A: rot 180:sc= -0.0749 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.78 USER MOD Single : A 757 SER OG : rot -80:sc= 2.1 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 168:sc= 1.29 USER MOD Single : A 761 HIS : no HE2:sc= -0.679 K(o=-0.68,f=-1.4) USER MOD Single : A 762 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.05) USER MOD Single : A 764 SER OG : rot -86:sc= 0 USER MOD Single : A 768 MET CE :methyl -176:sc= -0.0164 (180deg=-0.0815) USER MOD Single : A 770 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 776 GLN : amide:sc= 2.8 K(o=2.8,f=0.29) USER MOD Single : A 778 LYS NZ A:NH3+ 133:sc= -0.361 (180deg=-0.653) USER MOD Single : A 778 LYS NZ B:NH3+ 169:sc= 0.919 (180deg=0.851) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 61:sc= 0.0648 USER MOD Single : A 790 SER OG : rot -109:sc= 0.0113 USER MOD Single : A 792 SER OG : rot -83:sc= 1.51 USER MOD Single : A 793 CYS SG : rot -87:sc= -0.0687 USER MOD Single : A 797 SER OG : rot 105:sc= 0.596 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot -10:sc= 2.33 USER MOD Single : A 802 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.5) USER MOD Single : A 806 SER OG : rot -154:sc= 1.82 USER MOD Single : A 807 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.46) USER MOD Single : A 810 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.27) USER MOD Single : A 811 LYS NZ :NH3+ -144:sc= 0.234 (180deg=0.0214) USER MOD Single : A 813 MET CE :methyl 161:sc= 0 (180deg=-0.285) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 819 LYS NZ :NH3+ 172:sc= 0.289 (180deg=0.271) USER MOD Single : A 820 THR OG1 : rot 90:sc= 0.673 USER MOD Single : A 821 SER OG : rot 75:sc= 1.18 USER MOD Single : A 823 ASN : amide:sc= 1.05 X(o=1.1,f=0.63) USER MOD Single : A 825 GLN : amide:sc= 1.13 X(o=1.1,f=0.63) USER MOD Single : A 826 MET CE A:methyl -162:sc= -0.119 (180deg=-0.477) USER MOD Single : A 826 MET CE B:methyl 127:sc= -2.84 (180deg=-3.81!) USER MOD Single : A 827 TYR OH : rot -5:sc= 1.25 USER MOD Single : A 828 THR OG1 : rot -17:sc= 1.5 USER MOD Single : A 835 GLN : amide:sc= 1.05 K(o=1,f=-0.32) USER MOD Single : A 837 MET CE :methyl -168:sc=-0.00419 (180deg=-0.145) USER MOD Single : A 842 HIS : no HE2:sc= 1.93 K(o=1.9,f=-5.4!) USER MOD Single : A 843 ASN : amide:sc= 2.85 K(o=2.9,f=0.27) USER MOD Single : A 844 HIS : no HD1:sc= 1.39 K(o=1.4,f=-3.8!) 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 30:sc= 1.07 USER MOD Single : A 852 LYS NZ :NH3+ -165:sc= 0.932 (180deg=0.755) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -79:sc= 0.17 USER MOD Single : A 861 GLN : amide:sc= 1.01 K(o=1,f=0.39) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.43 K(o=2.4,f=0.93) USER MOD Single : A 870 ASN : amide:sc= 1.06 K(o=1.1,f=0.5) USER MOD Single : A 875 GLN : amide:sc= 1.19 X(o=1.2,f=0.7) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.00732 USER MOD Single : A 905 EDO O1 : rot -59:sc= 1.29 USER MOD Single : A 905 EDO O2 : rot 35:sc= 1.36 USER MOD Single : B 701 ASN : amide:sc= -1.04 X(o=-1,f=-0.97) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0979 USER MOD Single : B 703 ASN : amide:sc= 0.188 K(o=0.19,f=-3.2!) USER MOD Single : B 709 ASN : amide:sc= 0.0412 X(o=0.041,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 14:sc= 0.556 USER MOD Single : B 729 HIS : no HE2:sc= 1.66 K(o=1.7,f=-8.1!) USER MOD Single : B 736 ASN : amide:sc= -0.423 K(o=-0.42,f=-3.5!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 86:sc= 0.104 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.121 K(o=0.12,f=-0.65) 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 -171:sc= -0.295 (180deg=-0.372) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 776 GLN : amide:sc= 2.3 K(o=2.3,f=-0.32) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 63:sc= 0.117 USER MOD Single : B 790 SER OG : rot -79:sc= 0 USER MOD Single : B 792 SER OG : rot -82:sc= 1.84 USER MOD Single : B 793 CYS SG : rot -79:sc=-0.00296 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= 0 USER MOD Single : B 801 TYR OH : rot -18:sc= 1.49! USER MOD Single : B 802 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : B 810 GLN : amide:sc=-0.00837 X(o=-0.0084,f=-0.061) USER MOD Single : B 811 LYS NZ :NH3+ -171:sc= 0.159 (180deg=0.145) USER MOD Single : B 819 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.11) USER MOD Single : B 820 THR OG1 : rot 156:sc= 1.33 USER MOD Single : B 823 ASN : amide:sc= 2.06 K(o=2.1,f=1.4) USER MOD Single : B 825 GLN : amide:sc= 1.29 K(o=1.3,f=-2.6!) USER MOD Single : B 826 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : B 827 TYR OH : rot -5:sc= 1.3 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 837 MET CE :methyl -165:sc= -0.137 (180deg=-0.379) USER MOD Single : B 842 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.06) USER MOD Single : B 843 ASN : amide:sc= 1.44 K(o=1.4,f=-0.15) USER MOD Single : B 844 HIS : no HD1:sc= 1.35 K(o=1.4,f=-4!) USER MOD Single : B 845 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00697) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.864 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 -87:sc= 1.3 USER MOD Single : B 861 GLN : amide:sc= 0.0777 X(o=0.078,f=-0.37) USER MOD Single : B 866 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.2) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 60:sc= 1.49 USER MOD Single : B 903 EDO O2 : rot -32:sc= 0.0454 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.535 -5.014 -4.031 1.00 54.16 N ATOM 2 CA ASN A 701 15.099 -4.094 -2.984 1.00 57.68 C ATOM 3 C ASN A 701 14.079 -3.087 -2.493 1.00 57.34 C ATOM 4 O ASN A 701 13.176 -2.702 -3.225 1.00 51.40 O ATOM 5 CB ASN A 701 16.336 -3.329 -3.477 1.00 59.94 C ATOM 6 CG ASN A 701 17.542 -4.218 -3.614 1.00 70.30 C ATOM 7 OD1 ASN A 701 17.707 -4.847 -4.644 1.00 81.94 O ATOM 8 ND2 ASN A 701 18.393 -4.287 -2.575 1.00 67.89 N ATOM 0 HA ASN A 701 15.356 -4.676 -2.252 1.00 57.68 H new ATOM 0 HB2 ASN A 701 16.140 -2.920 -4.334 1.00 59.94 H new ATOM 0 HB3 ASN A 701 16.536 -2.609 -2.858 1.00 59.94 H new ATOM 0 HD21 ASN A 701 19.088 -4.791 -2.621 1.00 67.89 H new ATOM 0 HD22 ASN A 701 18.242 -3.827 -1.864 1.00 67.89 H new ATOM 9 N SER A 702 14.261 -2.645 -1.254 1.00 52.30 N ATOM 10 CA SER A 702 13.492 -1.537 -0.694 1.00 48.91 C ATOM 11 C SER A 702 13.696 -0.260 -1.542 1.00 47.01 C ATOM 12 O SER A 702 14.719 -0.107 -2.217 1.00 47.49 O ATOM 13 CB SER A 702 13.901 -1.313 0.781 1.00 46.49 C ATOM 14 OG SER A 702 13.009 -0.408 1.452 1.00 45.60 O ATOM 0 H SER A 702 14.837 -2.980 -0.711 1.00 52.30 H new ATOM 0 HA SER A 702 12.547 -1.754 -0.716 1.00 48.91 H new ATOM 0 HB2 SER A 702 13.909 -2.164 1.247 1.00 46.49 H new ATOM 0 HB3 SER A 702 14.804 -0.962 0.816 1.00 46.49 H new ATOM 0 HG SER A 702 13.257 -0.309 2.248 1.00 45.60 H new ATOM 15 N ASN A 703 12.685 0.620 -1.513 1.00 45.45 N ATOM 16 CA ASN A 703 12.644 1.902 -2.224 1.00 46.26 C ATOM 17 C ASN A 703 12.851 3.061 -1.306 1.00 40.53 C ATOM 18 O ASN A 703 12.717 4.211 -1.736 1.00 34.52 O ATOM 19 CB ASN A 703 11.251 2.130 -2.858 1.00 55.44 C ATOM 20 CG ASN A 703 10.807 0.969 -3.705 1.00 70.74 C ATOM 21 OD1 ASN A 703 11.630 0.148 -4.152 1.00 88.25 O ATOM 22 ND2 ASN A 703 9.502 0.880 -3.942 1.00 84.31 N ATOM 0 H ASN A 703 11.971 0.476 -1.055 1.00 45.45 H new ATOM 0 HA ASN A 703 13.350 1.854 -2.888 1.00 46.26 H new ATOM 0 HB2 ASN A 703 10.600 2.282 -2.155 1.00 55.44 H new ATOM 0 HB3 ASN A 703 11.274 2.933 -3.402 1.00 55.44 H new ATOM 0 HD21 ASN A 703 9.195 0.236 -4.422 1.00 84.31 H new ATOM 0 HD22 ASN A 703 8.965 1.467 -3.616 1.00 84.31 H new ATOM 23 N ILE A 704 13.185 2.787 -0.033 1.00 35.72 N ATOM 24 CA ILE A 704 13.584 3.853 0.892 1.00 32.45 C ATOM 25 C ILE A 704 14.876 3.388 1.601 1.00 28.19 C ATOM 26 O ILE A 704 15.107 2.195 1.715 1.00 25.54 O ATOM 27 CB ILE A 704 12.454 4.234 1.908 1.00 37.71 C ATOM 28 CG1 ILE A 704 11.973 3.020 2.703 1.00 39.86 C ATOM 29 CG2 ILE A 704 11.284 4.877 1.144 1.00 40.64 C ATOM 30 CD1 ILE A 704 10.997 3.293 3.836 1.00 41.89 C ATOM 0 H ILE A 704 13.186 1.997 0.308 1.00 35.72 H new ATOM 0 HA ILE A 704 13.748 4.670 0.396 1.00 32.45 H new ATOM 0 HB ILE A 704 12.816 4.867 2.547 1.00 37.71 H new ATOM 0 HG12 ILE A 704 11.555 2.399 2.086 1.00 39.86 H new ATOM 0 HG13 ILE A 704 12.750 2.572 3.073 1.00 39.86 H new ATOM 0 HG21 ILE A 704 10.581 5.115 1.769 1.00 40.64 H new ATOM 0 HG22 ILE A 704 11.595 5.675 0.688 1.00 40.64 H new ATOM 0 HG23 ILE A 704 10.937 4.247 0.493 1.00 40.64 H new ATOM 0 HD11 ILE A 704 10.761 2.457 4.268 1.00 41.89 H new ATOM 0 HD12 ILE A 704 11.410 3.886 4.483 1.00 41.89 H new ATOM 0 HD13 ILE A 704 10.197 3.710 3.480 1.00 41.89 H new ATOM 31 N CYS A 705 15.682 4.356 1.970 1.00 27.90 N ATOM 32 CA CYS A 705 16.881 4.157 2.806 1.00 28.74 C ATOM 33 C CYS A 705 16.542 3.523 4.141 1.00 26.68 C ATOM 34 O CYS A 705 15.648 3.950 4.837 1.00 23.24 O ATOM 35 CB CYS A 705 17.582 5.483 2.983 1.00 28.97 C ATOM 36 SG CYS A 705 19.099 5.542 4.037 1.00 24.56 S ATOM 0 H CYS A 705 15.558 5.176 1.743 1.00 27.90 H new ATOM 0 HA CYS A 705 17.477 3.537 2.357 1.00 28.74 H new ATOM 0 HB2 CYS A 705 17.822 5.810 2.102 1.00 28.97 H new ATOM 0 HB3 CYS A 705 16.940 6.109 3.353 1.00 28.97 H new ATOM 37 N GLU A 706 17.314 2.493 4.501 1.00 23.87 N ATOM 38 CA GLU A 706 17.098 1.722 5.669 1.00 26.05 C ATOM 39 C GLU A 706 17.377 2.564 6.927 1.00 20.13 C ATOM 40 O GLU A 706 16.777 2.288 7.894 1.00 23.24 O ATOM 41 CB GLU A 706 18.093 0.546 5.686 1.00 28.20 C ATOM 42 CG GLU A 706 17.894 -0.409 6.802 1.00 29.65 C ATOM 43 CD GLU A 706 16.717 -1.330 6.546 1.00 34.10 C ATOM 44 OE1 GLU A 706 16.060 -1.269 5.479 1.00 41.02 O ATOM 45 OE2 GLU A 706 16.495 -2.147 7.404 1.00 34.22 O ATOM 0 H GLU A 706 17.993 2.235 4.041 1.00 23.87 H new ATOM 0 HA GLU A 706 16.178 1.414 5.666 1.00 26.05 H new ATOM 0 HB2 GLU A 706 18.022 0.065 4.847 1.00 28.20 H new ATOM 0 HB3 GLU A 706 18.995 0.900 5.735 1.00 28.20 H new ATOM 0 HG2 GLU A 706 18.698 -0.937 6.924 1.00 29.65 H new ATOM 0 HG3 GLU A 706 17.749 0.081 7.626 1.00 29.65 H new ATOM 46 N VAL A 707 18.207 3.580 6.832 1.00 20.75 N ATOM 47 CA VAL A 707 18.616 4.387 7.974 1.00 20.79 C ATOM 48 C VAL A 707 17.681 5.546 8.218 1.00 24.50 C ATOM 49 O VAL A 707 17.199 5.720 9.339 1.00 24.29 O ATOM 50 CB VAL A 707 20.056 4.920 7.812 1.00 21.55 C ATOM 51 CG1 VAL A 707 20.502 5.753 9.013 1.00 22.05 C ATOM 52 CG2 VAL A 707 21.019 3.741 7.618 1.00 23.46 C ATOM 0 H VAL A 707 18.560 3.831 6.089 1.00 20.75 H new ATOM 0 HA VAL A 707 18.582 3.796 8.742 1.00 20.79 H new ATOM 0 HB VAL A 707 20.070 5.499 7.034 1.00 21.55 H new ATOM 0 HG11 VAL A 707 21.409 6.067 8.871 1.00 22.05 H new ATOM 0 HG12 VAL A 707 19.909 6.514 9.117 1.00 22.05 H new ATOM 0 HG13 VAL A 707 20.471 5.208 9.815 1.00 22.05 H new ATOM 0 HG21 VAL A 707 21.924 4.075 7.516 1.00 23.46 H new ATOM 0 HG22 VAL A 707 20.976 3.157 8.391 1.00 23.46 H new ATOM 0 HG23 VAL A 707 20.767 3.244 6.824 1.00 23.46 H new ATOM 53 N CYS A 708 17.409 6.334 7.176 1.00 24.42 N ATOM 54 CA CYS A 708 16.619 7.576 7.341 1.00 24.43 C ATOM 55 C CYS A 708 15.174 7.477 6.823 1.00 27.75 C ATOM 56 O CYS A 708 14.414 8.435 7.000 1.00 29.86 O ATOM 57 CB CYS A 708 17.340 8.757 6.730 1.00 23.39 C ATOM 58 SG CYS A 708 17.267 8.754 4.911 1.00 27.15 S ATOM 0 H CYS A 708 17.666 6.177 6.371 1.00 24.42 H new ATOM 0 HA CYS A 708 16.540 7.713 8.298 1.00 24.43 H new ATOM 0 HB2 CYS A 708 16.949 9.579 7.065 1.00 23.39 H new ATOM 0 HB3 CYS A 708 18.268 8.748 7.013 1.00 23.39 H new ATOM 59 N ASN A 709 14.833 6.346 6.199 1.00 26.52 N ATOM 60 CA ASN A 709 13.513 6.049 5.705 1.00 32.32 C ATOM 61 C ASN A 709 12.996 7.009 4.655 1.00 34.96 C ATOM 62 O ASN A 709 11.775 7.116 4.531 1.00 31.45 O ATOM 63 CB ASN A 709 12.514 5.974 6.856 1.00 31.95 C ATOM 64 CG ASN A 709 12.961 4.970 7.883 1.00 38.65 C ATOM 65 OD1 ASN A 709 13.473 5.329 8.944 1.00 39.81 O ATOM 66 ND2 ASN A 709 12.878 3.714 7.526 1.00 37.51 N ATOM 0 H ASN A 709 15.396 5.713 6.052 1.00 26.52 H new ATOM 0 HA ASN A 709 13.600 5.188 5.266 1.00 32.32 H new ATOM 0 HB2 ASN A 709 12.423 6.847 7.269 1.00 31.95 H new ATOM 0 HB3 ASN A 709 11.639 5.728 6.516 1.00 31.95 H new ATOM 0 HD21 ASN A 709 13.189 3.099 8.041 1.00 37.51 H new ATOM 0 HD22 ASN A 709 12.513 3.503 6.776 1.00 37.51 H new ATOM 67 N LYS A 710 13.908 7.671 3.924 1.00 30.40 N ATOM 68 CA LYS A 710 13.552 8.558 2.801 1.00 30.36 C ATOM 69 C LYS A 710 13.966 7.889 1.467 1.00 36.61 C ATOM 70 O LYS A 710 14.901 7.058 1.408 1.00 29.87 O ATOM 71 CB LYS A 710 14.244 9.896 2.924 1.00 28.45 C ATOM 72 CG LYS A 710 13.803 10.730 4.120 1.00 34.31 C ATOM 73 CD LYS A 710 12.373 11.226 3.981 1.00 37.25 C ATOM 74 CE LYS A 710 12.033 12.288 5.020 1.00 40.43 C ATOM 75 NZ LYS A 710 11.861 11.709 6.356 1.00 49.33 N ATOM 0 H LYS A 710 14.754 7.617 4.067 1.00 30.40 H new ATOM 0 HA LYS A 710 12.593 8.705 2.819 1.00 30.36 H new ATOM 0 HB2 LYS A 710 15.201 9.748 2.983 1.00 28.45 H new ATOM 0 HB3 LYS A 710 14.085 10.405 2.114 1.00 28.45 H new ATOM 0 HG2 LYS A 710 13.882 10.200 4.928 1.00 34.31 H new ATOM 0 HG3 LYS A 710 14.398 11.489 4.219 1.00 34.31 H new ATOM 0 HD2 LYS A 710 12.243 11.591 3.092 1.00 37.25 H new ATOM 0 HD3 LYS A 710 11.762 10.478 4.072 1.00 37.25 H new ATOM 0 HE2 LYS A 710 12.738 12.954 5.045 1.00 40.43 H new ATOM 0 HE3 LYS A 710 11.219 12.747 4.759 1.00 40.43 H new ATOM 0 HZ1 LYS A 710 11.664 12.354 6.936 1.00 49.33 H new ATOM 0 HZ2 LYS A 710 11.200 11.114 6.339 1.00 49.33 H new ATOM 0 HZ3 LYS A 710 12.615 11.307 6.605 1.00 49.33 H new ATOM 76 N TRP A 711 13.261 8.255 0.383 1.00 30.68 N ATOM 77 CA TRP A 711 13.693 7.921 -0.973 1.00 30.40 C ATOM 78 C TRP A 711 14.804 8.884 -1.350 1.00 31.17 C ATOM 79 O TRP A 711 15.190 9.753 -0.533 1.00 36.60 O ATOM 80 CB TRP A 711 12.493 7.947 -1.911 1.00 33.30 C ATOM 81 CG TRP A 711 12.764 7.627 -3.302 1.00 33.22 C ATOM 82 CD1 TRP A 711 13.064 6.421 -3.804 1.00 36.00 C ATOM 83 CD2 TRP A 711 12.777 8.539 -4.391 1.00 32.23 C ATOM 84 NE1 TRP A 711 13.278 6.508 -5.143 1.00 35.45 N ATOM 85 CE2 TRP A 711 13.082 7.802 -5.532 1.00 30.39 C ATOM 86 CE3 TRP A 711 12.516 9.909 -4.516 1.00 30.94 C ATOM 87 CZ2 TRP A 711 13.175 8.384 -6.786 1.00 33.85 C ATOM 88 CZ3 TRP A 711 12.574 10.465 -5.774 1.00 31.35 C ATOM 89 CH2 TRP A 711 12.912 9.722 -6.874 1.00 26.99 C ATOM 0 H TRP A 711 12.526 8.700 0.419 1.00 30.68 H new ATOM 0 HA TRP A 711 14.052 7.022 -1.038 1.00 30.40 H new ATOM 0 HB2 TRP A 711 11.831 7.322 -1.577 1.00 33.30 H new ATOM 0 HB3 TRP A 711 12.094 8.830 -1.873 1.00 33.30 H new ATOM 0 HD1 TRP A 711 13.118 5.637 -3.307 1.00 36.00 H new ATOM 0 HE1 TRP A 711 13.500 5.857 -5.659 1.00 35.45 H new ATOM 0 HE3 TRP A 711 12.310 10.427 -3.772 1.00 30.94 H new ATOM 0 HZ2 TRP A 711 13.407 7.885 -7.536 1.00 33.85 H new ATOM 0 HZ3 TRP A 711 12.379 11.368 -5.880 1.00 31.35 H new ATOM 0 HH2 TRP A 711 12.964 10.140 -7.703 1.00 26.99 H new ATOM 90 N GLY A 712 15.405 8.655 -2.530 1.00 28.41 N ATOM 91 CA GLY A 712 16.403 9.519 -3.110 1.00 27.25 C ATOM 92 C GLY A 712 17.346 8.656 -3.970 1.00 26.25 C ATOM 93 O GLY A 712 16.941 7.638 -4.531 1.00 30.82 O ATOM 0 H GLY A 712 15.227 7.968 -3.016 1.00 28.41 H new ATOM 0 HA2 GLY A 712 15.983 10.204 -3.653 1.00 27.25 H new ATOM 0 HA3 GLY A 712 16.902 9.974 -2.414 1.00 27.25 H new ATOM 94 N ARG A 713 18.586 9.090 -4.080 1.00 30.81 N ATOM 95 CA ARG A 713 19.642 8.316 -4.754 1.00 31.88 C ATOM 96 C ARG A 713 20.055 7.137 -3.843 1.00 31.96 C ATOM 97 O ARG A 713 20.732 7.309 -2.873 1.00 30.68 O ATOM 98 CB ARG A 713 20.829 9.230 -5.081 1.00 36.19 C ATOM 99 CG ARG A 713 22.005 8.552 -5.787 1.00 44.45 C ATOM 100 CD ARG A 713 21.591 7.944 -7.129 1.00 56.12 C ATOM 101 NE ARG A 713 22.621 7.088 -7.718 1.00 63.70 N ATOM 102 CZ ARG A 713 22.575 5.758 -7.856 1.00 62.74 C ATOM 103 NH1 ARG A 713 23.616 5.142 -8.406 1.00 66.13 N ATOM 104 NH2 ARG A 713 21.530 5.029 -7.465 1.00 61.92 N ATOM 0 H ARG A 713 18.853 9.846 -3.768 1.00 30.81 H new ATOM 0 HA ARG A 713 19.316 7.955 -5.593 1.00 31.88 H new ATOM 0 HB2 ARG A 713 20.513 9.958 -5.639 1.00 36.19 H new ATOM 0 HB3 ARG A 713 21.151 9.624 -4.255 1.00 36.19 H new ATOM 0 HG2 ARG A 713 22.713 9.200 -5.930 1.00 44.45 H new ATOM 0 HG3 ARG A 713 22.368 7.857 -5.216 1.00 44.45 H new ATOM 0 HD2 ARG A 713 20.780 7.426 -7.006 1.00 56.12 H new ATOM 0 HD3 ARG A 713 21.380 8.659 -7.750 1.00 56.12 H new ATOM 0 HE ARG A 713 23.330 7.481 -8.006 1.00 63.70 H new ATOM 0 HH11 ARG A 713 24.298 5.598 -8.664 1.00 66.13 H new ATOM 0 HH12 ARG A 713 23.607 4.288 -8.504 1.00 66.13 H new ATOM 0 HH21 ARG A 713 20.848 5.412 -7.107 1.00 61.92 H new ATOM 0 HH22 ARG A 713 21.537 4.176 -7.571 1.00 61.92 H new ATOM 105 N LEU A 714 19.559 5.956 -4.110 1.00 32.94 N ATOM 106 CA LEU A 714 19.807 4.829 -3.232 1.00 32.98 C ATOM 107 C LEU A 714 20.753 3.831 -3.912 1.00 38.43 C ATOM 108 O LEU A 714 20.721 3.664 -5.130 1.00 36.37 O ATOM 109 CB LEU A 714 18.505 4.150 -2.914 1.00 31.82 C ATOM 110 CG LEU A 714 17.430 4.985 -2.255 1.00 29.53 C ATOM 111 CD1 LEU A 714 16.179 4.171 -2.250 1.00 29.53 C ATOM 112 CD2 LEU A 714 17.798 5.429 -0.867 1.00 33.31 C ATOM 0 H LEU A 714 19.073 5.778 -4.797 1.00 32.94 H new ATOM 0 HA LEU A 714 20.219 5.147 -2.413 1.00 32.98 H new ATOM 0 HB2 LEU A 714 18.143 3.793 -3.740 1.00 31.82 H new ATOM 0 HB3 LEU A 714 18.694 3.394 -2.337 1.00 31.82 H new ATOM 0 HG LEU A 714 17.310 5.806 -2.758 1.00 29.53 H new ATOM 0 HD11 LEU A 714 15.465 4.678 -1.833 1.00 29.53 H new ATOM 0 HD12 LEU A 714 15.931 3.954 -3.162 1.00 29.53 H new ATOM 0 HD13 LEU A 714 16.328 3.352 -1.752 1.00 29.53 H new ATOM 0 HD21 LEU A 714 17.076 5.958 -0.494 1.00 33.31 H new ATOM 0 HD22 LEU A 714 17.950 4.651 -0.308 1.00 33.31 H new ATOM 0 HD23 LEU A 714 18.606 5.964 -0.902 1.00 33.31 H new ATOM 113 N PHE A 715 21.592 3.198 -3.106 1.00 35.74 N ATOM 114 CA PHE A 715 22.414 2.060 -3.493 1.00 35.10 C ATOM 115 C PHE A 715 21.852 0.786 -2.882 1.00 34.26 C ATOM 116 O PHE A 715 21.590 0.713 -1.703 1.00 38.63 O ATOM 117 CB PHE A 715 23.834 2.340 -3.080 1.00 33.79 C ATOM 118 CG PHE A 715 24.390 3.610 -3.658 1.00 38.84 C ATOM 119 CD1 PHE A 715 25.159 3.589 -4.832 1.00 40.83 C ATOM 120 CD2 PHE A 715 24.153 4.825 -3.061 1.00 42.81 C ATOM 121 CE1 PHE A 715 25.694 4.746 -5.356 1.00 45.97 C ATOM 122 CE2 PHE A 715 24.686 5.993 -3.578 1.00 48.18 C ATOM 123 CZ PHE A 715 25.465 5.957 -4.735 1.00 49.03 C ATOM 0 H PHE A 715 21.703 3.428 -2.285 1.00 35.74 H new ATOM 0 HA PHE A 715 22.404 1.928 -4.454 1.00 35.10 H new ATOM 0 HB2 PHE A 715 23.878 2.388 -2.112 1.00 33.79 H new ATOM 0 HB3 PHE A 715 24.395 1.597 -3.353 1.00 33.79 H new ATOM 0 HD1 PHE A 715 25.310 2.780 -5.264 1.00 40.83 H new ATOM 0 HD2 PHE A 715 23.625 4.863 -2.296 1.00 42.81 H new ATOM 0 HE1 PHE A 715 26.210 4.711 -6.129 1.00 45.97 H new ATOM 0 HE2 PHE A 715 24.524 6.804 -3.153 1.00 48.18 H new ATOM 0 HZ PHE A 715 25.826 6.740 -5.084 1.00 49.03 H new ATOM 124 N CYS A 716 21.687 -0.252 -3.674 1.00 30.67 N ATOM 125 CA CYS A 716 21.013 -1.436 -3.273 1.00 32.80 C ATOM 126 C CYS A 716 21.988 -2.538 -2.852 1.00 36.45 C ATOM 127 O CYS A 716 23.018 -2.716 -3.466 1.00 46.01 O ATOM 128 CB CYS A 716 20.105 -1.955 -4.397 1.00 41.84 C ATOM 129 SG CYS A 716 18.585 -0.974 -4.659 1.00 44.88 S ATOM 0 H CYS A 716 21.977 -0.277 -4.483 1.00 30.67 H new ATOM 0 HA CYS A 716 20.471 -1.202 -2.503 1.00 32.80 H new ATOM 0 HB2 CYS A 716 20.611 -1.972 -5.224 1.00 41.84 H new ATOM 0 HB3 CYS A 716 19.855 -2.871 -4.198 1.00 41.84 H new ATOM 0 HG CYS A 716 18.054 -0.768 -3.603 1.00 44.88 H new ATOM 130 N CYS A 717 21.634 -3.263 -1.801 1.00 38.39 N ATOM 131 CA CYS A 717 22.430 -4.413 -1.389 1.00 41.44 C ATOM 132 C CYS A 717 22.192 -5.585 -2.355 1.00 41.78 C ATOM 133 O CYS A 717 21.042 -5.852 -2.767 1.00 44.18 O ATOM 134 CB CYS A 717 22.082 -4.833 0.032 1.00 36.97 C ATOM 135 SG CYS A 717 23.167 -6.142 0.644 1.00 35.38 S ATOM 0 H CYS A 717 20.942 -3.109 -1.315 1.00 38.39 H new ATOM 0 HA CYS A 717 23.367 -4.162 -1.412 1.00 41.44 H new ATOM 0 HB2 CYS A 717 22.144 -4.063 0.619 1.00 36.97 H new ATOM 0 HB3 CYS A 717 21.162 -5.138 0.061 1.00 36.97 H new ATOM 136 N ASP A 718 23.258 -6.301 -2.685 1.00 45.08 N ATOM 137 CA ASP A 718 23.112 -7.494 -3.567 1.00 44.57 C ATOM 138 C ASP A 718 22.746 -8.757 -2.814 1.00 48.03 C ATOM 139 O ASP A 718 22.315 -9.736 -3.432 1.00 51.60 O ATOM 140 CB ASP A 718 24.344 -7.658 -4.446 1.00 45.29 C ATOM 141 CG ASP A 718 24.391 -6.624 -5.528 1.00 45.17 C ATOM 142 OD1 ASP A 718 23.338 -6.471 -6.177 1.00 57.94 O ATOM 143 OD2 ASP A 718 25.422 -5.926 -5.734 1.00 48.14 O ATOM 0 H ASP A 718 24.061 -6.134 -2.426 1.00 45.08 H new ATOM 0 HA ASP A 718 22.353 -7.333 -4.150 1.00 44.57 H new ATOM 0 HB2 ASP A 718 25.143 -7.592 -3.900 1.00 45.29 H new ATOM 0 HB3 ASP A 718 24.344 -8.543 -4.843 1.00 45.29 H new ATOM 144 N THR A 719 22.860 -8.751 -1.484 1.00 40.41 N ATOM 145 CA THR A 719 22.622 -9.957 -0.721 1.00 39.82 C ATOM 146 C THR A 719 21.467 -9.898 0.174 1.00 39.94 C ATOM 147 O THR A 719 21.212 -10.853 0.866 1.00 38.49 O ATOM 148 CB THR A 719 23.904 -10.391 0.031 1.00 46.16 C ATOM 149 OG1 THR A 719 24.600 -9.255 0.605 1.00 41.07 O ATOM 150 CG2 THR A 719 24.804 -11.051 -0.985 1.00 47.65 C ATOM 0 H THR A 719 23.073 -8.062 -1.016 1.00 40.41 H new ATOM 0 HA THR A 719 22.390 -10.636 -1.374 1.00 39.82 H new ATOM 0 HB THR A 719 23.668 -10.988 0.758 1.00 46.16 H new ATOM 0 HG1 THR A 719 24.267 -9.071 1.354 1.00 41.07 H new ATOM 0 HG21 THR A 719 25.623 -11.339 -0.553 1.00 47.65 H new ATOM 0 HG22 THR A 719 24.352 -11.820 -1.367 1.00 47.65 H new ATOM 0 HG23 THR A 719 25.016 -10.418 -1.689 1.00 47.65 H new ATOM 151 N CYS A 720 20.748 -8.780 0.172 1.00 39.67 N ATOM 152 CA CYS A 720 19.539 -8.613 1.007 1.00 39.47 C ATOM 153 C CYS A 720 18.775 -7.464 0.370 1.00 31.00 C ATOM 154 O CYS A 720 19.343 -6.762 -0.436 1.00 36.27 O ATOM 155 CB CYS A 720 19.863 -8.330 2.495 1.00 38.06 C ATOM 156 SG CYS A 720 20.315 -6.610 2.931 1.00 37.49 S ATOM 0 H CYS A 720 20.939 -8.093 -0.309 1.00 39.67 H new ATOM 0 HA CYS A 720 19.019 -9.432 1.030 1.00 39.47 H new ATOM 0 HB2 CYS A 720 19.091 -8.583 3.026 1.00 38.06 H new ATOM 0 HB3 CYS A 720 20.593 -8.911 2.761 1.00 38.06 H new ATOM 157 N PRO A 721 17.509 -7.245 0.755 1.00 39.57 N ATOM 158 CA PRO A 721 16.703 -6.213 0.086 1.00 40.78 C ATOM 159 C PRO A 721 16.833 -4.773 0.619 1.00 45.21 C ATOM 160 O PRO A 721 16.018 -3.912 0.235 1.00 40.60 O ATOM 161 CB PRO A 721 15.277 -6.709 0.274 1.00 40.61 C ATOM 162 CG PRO A 721 15.311 -7.547 1.493 1.00 44.55 C ATOM 163 CD PRO A 721 16.722 -8.001 1.733 1.00 39.49 C ATOM 0 HA PRO A 721 17.005 -6.120 -0.831 1.00 40.78 H new ATOM 0 HB2 PRO A 721 14.660 -5.968 0.376 1.00 40.61 H new ATOM 0 HB3 PRO A 721 14.981 -7.221 -0.495 1.00 40.61 H new ATOM 0 HG2 PRO A 721 14.987 -7.043 2.256 1.00 44.55 H new ATOM 0 HG3 PRO A 721 14.725 -8.313 1.390 1.00 44.55 H new ATOM 0 HD2 PRO A 721 17.007 -7.811 2.641 1.00 39.49 H new ATOM 0 HD3 PRO A 721 16.815 -8.957 1.601 1.00 39.49 H new ATOM 164 N ARG A 722 17.834 -4.485 1.451 1.00 33.84 N ATOM 165 CA ARG A 722 17.988 -3.110 1.957 1.00 34.76 C ATOM 166 C ARG A 722 18.606 -2.187 0.973 1.00 30.41 C ATOM 167 O ARG A 722 19.403 -2.586 0.110 1.00 33.96 O ATOM 168 CB ARG A 722 18.839 -3.066 3.262 1.00 31.03 C ATOM 169 CG ARG A 722 18.230 -3.885 4.382 1.00 31.28 C ATOM 170 CD ARG A 722 19.228 -4.007 5.527 1.00 29.77 C ATOM 171 NE ARG A 722 18.616 -4.649 6.683 1.00 31.09 N ATOM 172 CZ ARG A 722 18.702 -5.942 6.995 1.00 28.89 C ATOM 173 NH1 ARG A 722 19.377 -6.771 6.259 1.00 32.68 N ATOM 174 NH2 ARG A 722 18.122 -6.393 8.066 1.00 30.04 N ATOM 0 H ARG A 722 18.421 -5.048 1.731 1.00 33.84 H new ATOM 0 HA ARG A 722 17.083 -2.811 2.136 1.00 34.76 H new ATOM 0 HB2 ARG A 722 19.732 -3.395 3.073 1.00 31.03 H new ATOM 0 HB3 ARG A 722 18.932 -2.145 3.553 1.00 31.03 H new ATOM 0 HG2 ARG A 722 17.414 -3.465 4.696 1.00 31.28 H new ATOM 0 HG3 ARG A 722 17.988 -4.766 4.056 1.00 31.28 H new ATOM 0 HD2 ARG A 722 19.998 -4.521 5.237 1.00 29.77 H new ATOM 0 HD3 ARG A 722 19.551 -3.127 5.775 1.00 29.77 H new ATOM 0 HE ARG A 722 18.158 -4.149 7.212 1.00 31.09 H new ATOM 0 HH11 ARG A 722 19.780 -6.489 5.554 1.00 32.68 H new ATOM 0 HH12 ARG A 722 19.421 -7.602 6.477 1.00 32.68 H new ATOM 0 HH21 ARG A 722 17.682 -5.857 8.575 1.00 30.04 H new ATOM 0 HH22 ARG A 722 18.178 -7.227 8.266 1.00 30.04 H new ATOM 175 N SER A 723 18.264 -0.913 1.099 1.00 28.25 N ATOM 176 CA SER A 723 18.918 0.123 0.308 1.00 26.59 C ATOM 177 C SER A 723 19.362 1.279 1.172 1.00 27.42 C ATOM 178 O SER A 723 18.743 1.494 2.198 1.00 30.17 O ATOM 179 CB SER A 723 17.936 0.624 -0.806 1.00 33.44 C ATOM 180 OG SER A 723 17.278 -0.534 -1.437 1.00 35.17 O ATOM 0 H SER A 723 17.657 -0.626 1.636 1.00 28.25 H new ATOM 0 HA SER A 723 19.711 -0.257 -0.102 1.00 26.59 H new ATOM 0 HB2 SER A 723 17.271 1.217 -0.422 1.00 33.44 H new ATOM 0 HB3 SER A 723 18.421 1.136 -1.472 1.00 33.44 H new ATOM 0 HG SER A 723 16.492 -0.328 -1.650 1.00 35.17 H new ATOM 181 N PHE A 724 20.350 2.057 0.701 1.00 25.12 N ATOM 182 CA PHE A 724 20.954 3.166 1.411 1.00 25.02 C ATOM 183 C PHE A 724 21.277 4.359 0.610 1.00 27.00 C ATOM 184 O PHE A 724 21.819 4.280 -0.502 1.00 29.41 O ATOM 185 CB PHE A 724 22.293 2.729 2.079 1.00 23.94 C ATOM 186 CG PHE A 724 22.130 1.549 2.939 1.00 25.80 C ATOM 187 CD1 PHE A 724 22.093 0.282 2.384 1.00 25.71 C ATOM 188 CD2 PHE A 724 22.028 1.681 4.343 1.00 23.48 C ATOM 189 CE1 PHE A 724 21.885 -0.846 3.162 1.00 27.21 C ATOM 190 CE2 PHE A 724 21.812 0.548 5.109 1.00 24.51 C ATOM 191 CZ PHE A 724 21.789 -0.729 4.536 1.00 26.43 C ATOM 0 H PHE A 724 20.693 1.937 -0.078 1.00 25.12 H new ATOM 0 HA PHE A 724 20.262 3.413 2.044 1.00 25.02 H new ATOM 0 HB2 PHE A 724 22.948 2.536 1.390 1.00 23.94 H new ATOM 0 HB3 PHE A 724 22.644 3.464 2.606 1.00 23.94 H new ATOM 0 HD1 PHE A 724 22.211 0.185 1.467 1.00 25.71 H new ATOM 0 HD2 PHE A 724 22.105 2.516 4.746 1.00 23.48 H new ATOM 0 HE1 PHE A 724 21.810 -1.681 2.760 1.00 27.21 H new ATOM 0 HE2 PHE A 724 21.679 0.637 6.025 1.00 24.51 H new ATOM 0 HZ PHE A 724 21.710 -1.486 5.071 1.00 26.43 H new ATOM 192 N HIS A 725 21.120 5.524 1.228 1.00 28.52 N ATOM 193 CA HIS A 725 21.858 6.644 0.700 1.00 27.87 C ATOM 194 C HIS A 725 23.330 6.401 0.929 1.00 33.51 C ATOM 195 O HIS A 725 23.737 5.763 1.945 1.00 29.19 O ATOM 196 CB HIS A 725 21.507 7.975 1.347 1.00 29.37 C ATOM 197 CG HIS A 725 20.089 8.398 1.125 1.00 30.50 C ATOM 198 ND1 HIS A 725 19.116 8.273 2.083 1.00 27.63 N ATOM 199 CD2 HIS A 725 19.455 8.886 0.018 1.00 33.63 C ATOM 200 CE1 HIS A 725 17.950 8.684 1.620 1.00 29.08 C ATOM 201 NE2 HIS A 725 18.129 9.075 0.363 1.00 30.72 N ATOM 0 H HIS A 725 20.622 5.677 1.912 1.00 28.52 H new ATOM 0 HA HIS A 725 21.626 6.707 -0.240 1.00 27.87 H new ATOM 0 HB2 HIS A 725 21.672 7.915 2.301 1.00 29.37 H new ATOM 0 HB3 HIS A 725 22.099 8.660 0.999 1.00 29.37 H new ATOM 0 HD2 HIS A 725 19.841 9.058 -0.810 1.00 33.63 H new ATOM 0 HE1 HIS A 725 17.147 8.697 2.090 1.00 29.08 H new ATOM 0 HE2 HIS A 725 17.519 9.394 -0.153 1.00 30.72 H new ATOM 202 N GLU A 726 24.135 6.991 0.030 1.00 32.61 N ATOM 203 CA GLU A 726 25.598 6.937 0.088 1.00 32.82 C ATOM 204 C GLU A 726 26.192 7.187 1.493 1.00 34.10 C ATOM 205 O GLU A 726 26.961 6.355 1.956 1.00 35.04 O ATOM 206 CB GLU A 726 26.211 7.959 -0.865 1.00 34.71 C ATOM 207 CG GLU A 726 27.741 8.069 -0.819 1.00 40.40 C ATOM 208 CD GLU A 726 28.357 8.831 -1.988 1.00 48.11 C ATOM 209 OE1 GLU A 726 27.622 9.577 -2.667 1.00 51.93 O ATOM 210 OE2 GLU A 726 29.574 8.659 -2.235 1.00 48.71 O ATOM 0 H GLU A 726 23.836 7.440 -0.640 1.00 32.61 H new ATOM 0 HA GLU A 726 25.820 6.028 -0.168 1.00 32.82 H new ATOM 0 HB2 GLU A 726 25.945 7.734 -1.770 1.00 34.71 H new ATOM 0 HB3 GLU A 726 25.833 8.830 -0.667 1.00 34.71 H new ATOM 0 HG2 GLU A 726 27.998 8.506 0.008 1.00 40.40 H new ATOM 0 HG3 GLU A 726 28.117 7.175 -0.796 1.00 40.40 H new ATOM 211 N HIS A 727 25.885 8.334 2.109 1.00 27.94 N ATOM 212 CA HIS A 727 26.426 8.684 3.442 1.00 30.10 C ATOM 213 C HIS A 727 25.565 8.293 4.648 1.00 23.66 C ATOM 214 O HIS A 727 25.905 8.618 5.781 1.00 25.33 O ATOM 215 CB HIS A 727 26.737 10.148 3.467 1.00 32.90 C ATOM 216 CG HIS A 727 27.742 10.537 2.439 1.00 41.92 C ATOM 217 ND1 HIS A 727 28.926 9.844 2.264 1.00 47.78 N ATOM 218 CD2 HIS A 727 27.740 11.523 1.520 1.00 46.05 C ATOM 219 CE1 HIS A 727 29.616 10.395 1.283 1.00 51.96 C ATOM 220 NE2 HIS A 727 28.916 11.413 0.811 1.00 55.88 N ATOM 0 H HIS A 727 25.363 8.930 1.774 1.00 27.94 H new ATOM 0 HA HIS A 727 27.225 8.144 3.549 1.00 30.10 H new ATOM 0 HB2 HIS A 727 25.920 10.651 3.323 1.00 32.90 H new ATOM 0 HB3 HIS A 727 27.068 10.390 4.346 1.00 32.90 H new ATOM 0 HD2 HIS A 727 27.072 12.157 1.389 1.00 46.05 H new ATOM 0 HE1 HIS A 727 30.449 10.116 0.977 1.00 51.96 H new ATOM 0 HE2 HIS A 727 29.157 11.925 0.164 1.00 55.88 H new ATOM 221 N CYS A 728 24.453 7.628 4.406 1.00 21.72 N ATOM 222 CA CYS A 728 23.671 6.993 5.473 1.00 21.35 C ATOM 223 C CYS A 728 24.306 5.629 5.860 1.00 22.99 C ATOM 224 O CYS A 728 24.354 5.264 7.033 1.00 22.68 O ATOM 225 CB CYS A 728 22.205 6.814 5.063 1.00 22.14 C ATOM 226 SG CYS A 728 21.210 8.377 5.172 1.00 25.27 S ATOM 0 H CYS A 728 24.121 7.526 3.619 1.00 21.72 H new ATOM 0 HA CYS A 728 23.686 7.577 6.247 1.00 21.35 H new ATOM 0 HB2 CYS A 728 22.170 6.479 4.153 1.00 22.14 H new ATOM 0 HB3 CYS A 728 21.798 6.140 5.629 1.00 22.14 H new ATOM 227 N HIS A 729 24.764 4.890 4.865 1.00 21.86 N ATOM 228 CA HIS A 729 25.568 3.675 5.121 1.00 21.68 C ATOM 229 C HIS A 729 26.854 4.050 5.816 1.00 18.80 C ATOM 230 O HIS A 729 27.427 5.124 5.615 1.00 19.31 O ATOM 231 CB HIS A 729 25.854 2.903 3.819 1.00 20.66 C ATOM 232 CG HIS A 729 26.203 1.473 4.071 1.00 18.97 C ATOM 233 ND1 HIS A 729 27.493 1.056 4.245 1.00 20.16 N ATOM 234 CD2 HIS A 729 25.429 0.385 4.196 1.00 21.40 C ATOM 235 CE1 HIS A 729 27.513 -0.241 4.453 1.00 19.64 C ATOM 236 NE2 HIS A 729 26.274 -0.666 4.450 1.00 22.29 N ATOM 0 H HIS A 729 24.629 5.062 4.033 1.00 21.86 H new ATOM 0 HA HIS A 729 25.057 3.087 5.698 1.00 21.68 H new ATOM 0 HB2 HIS A 729 25.075 2.947 3.242 1.00 20.66 H new ATOM 0 HB3 HIS A 729 26.583 3.333 3.345 1.00 20.66 H new ATOM 0 HD1 HIS A 729 28.186 1.565 4.222 1.00 20.16 H new ATOM 0 HD2 HIS A 729 24.502 0.350 4.125 1.00 21.40 H new ATOM 0 HE1 HIS A 729 28.271 -0.764 4.580 1.00 19.64 H new ATOM 237 N ILE A 730 27.318 3.167 6.721 1.00 18.56 N ATOM 238 CA ILE A 730 28.544 3.339 7.361 1.00 19.19 C ATOM 239 C ILE A 730 29.299 1.968 7.234 1.00 22.51 C ATOM 240 O ILE A 730 28.735 0.940 7.597 1.00 21.96 O ATOM 241 CB ILE A 730 28.380 3.602 8.869 1.00 20.37 C ATOM 242 CG1 ILE A 730 27.438 4.788 9.103 1.00 19.53 C ATOM 243 CG2 ILE A 730 29.731 3.880 9.496 1.00 19.06 C ATOM 244 CD1 ILE A 730 27.223 5.081 10.598 1.00 20.30 C ATOM 0 H ILE A 730 26.894 2.456 6.955 1.00 18.56 H new ATOM 0 HA ILE A 730 29.005 4.092 6.960 1.00 19.19 H new ATOM 0 HB ILE A 730 27.996 2.814 9.283 1.00 20.37 H new ATOM 0 HG12 ILE A 730 27.801 5.577 8.671 1.00 19.53 H new ATOM 0 HG13 ILE A 730 26.582 4.605 8.686 1.00 19.53 H new ATOM 0 HG21 ILE A 730 29.620 4.045 10.445 1.00 19.06 H new ATOM 0 HG22 ILE A 730 30.312 3.114 9.367 1.00 19.06 H new ATOM 0 HG23 ILE A 730 30.128 4.660 9.077 1.00 19.06 H new ATOM 0 HD11 ILE A 730 26.622 5.836 10.697 1.00 20.30 H new ATOM 0 HD12 ILE A 730 26.836 4.302 11.028 1.00 20.30 H new ATOM 0 HD13 ILE A 730 28.075 5.289 11.013 1.00 20.30 H new ATOM 245 N PRO A 731 30.483 1.978 6.680 1.00 24.84 N ATOM 246 CA PRO A 731 31.154 3.083 6.016 1.00 26.27 C ATOM 247 C PRO A 731 30.382 3.584 4.778 1.00 26.10 C ATOM 248 O PRO A 731 29.529 2.863 4.316 1.00 26.83 O ATOM 249 CB PRO A 731 32.457 2.440 5.524 1.00 29.82 C ATOM 250 CG PRO A 731 32.598 1.154 6.243 1.00 27.36 C ATOM 251 CD PRO A 731 31.226 0.697 6.594 1.00 32.55 C ATOM 0 HA PRO A 731 31.254 3.844 6.609 1.00 26.27 H new ATOM 0 HB2 PRO A 731 32.429 2.297 4.565 1.00 29.82 H new ATOM 0 HB3 PRO A 731 33.215 3.019 5.702 1.00 29.82 H new ATOM 0 HG2 PRO A 731 33.046 0.498 5.687 1.00 27.36 H new ATOM 0 HG3 PRO A 731 33.137 1.265 7.042 1.00 27.36 H new ATOM 0 HD2 PRO A 731 30.856 0.108 5.918 1.00 32.55 H new ATOM 0 HD3 PRO A 731 31.209 0.211 7.433 1.00 32.55 H new ATOM 252 N SER A 732 30.674 4.794 4.275 1.00 30.36 N ATOM 253 CA SER A 732 29.999 5.319 3.026 1.00 35.49 C ATOM 254 C SER A 732 30.050 4.317 1.882 1.00 36.11 C ATOM 255 O SER A 732 31.026 3.585 1.780 1.00 37.16 O ATOM 256 CB SER A 732 30.648 6.570 2.508 1.00 38.53 C ATOM 257 OG SER A 732 30.336 7.645 3.334 1.00 42.43 O ATOM 0 H SER A 732 31.248 5.333 4.622 1.00 30.36 H new ATOM 0 HA SER A 732 29.084 5.492 3.299 1.00 35.49 H new ATOM 0 HB2 SER A 732 31.610 6.452 2.468 1.00 38.53 H new ATOM 0 HB3 SER A 732 30.346 6.749 1.604 1.00 38.53 H new ATOM 0 HG SER A 732 29.920 8.226 2.893 1.00 42.43 H new ATOM 258 N VAL A 733 28.958 4.192 1.136 1.00 34.72 N ATOM 259 CA VAL A 733 28.806 3.089 0.168 1.00 39.27 C ATOM 260 C VAL A 733 29.970 3.150 -0.790 1.00 46.46 C ATOM 261 O VAL A 733 30.346 4.230 -1.239 1.00 47.38 O ATOM 262 CB VAL A 733 27.509 3.123 -0.627 1.00 36.81 C ATOM 263 CG1 VAL A 733 27.524 2.097 -1.777 1.00 34.88 C ATOM 264 CG2 VAL A 733 26.286 2.852 0.266 1.00 37.05 C ATOM 0 H VAL A 733 28.289 4.731 1.169 1.00 34.72 H new ATOM 0 HA VAL A 733 28.783 2.264 0.678 1.00 39.27 H new ATOM 0 HB VAL A 733 27.440 4.017 -0.996 1.00 36.81 H new ATOM 0 HG11 VAL A 733 26.686 2.143 -2.263 1.00 34.88 H new ATOM 0 HG12 VAL A 733 28.258 2.296 -2.379 1.00 34.88 H new ATOM 0 HG13 VAL A 733 27.638 1.205 -1.414 1.00 34.88 H new ATOM 0 HG21 VAL A 733 25.479 2.881 -0.272 1.00 37.05 H new ATOM 0 HG22 VAL A 733 26.371 1.976 0.674 1.00 37.05 H new ATOM 0 HG23 VAL A 733 26.236 3.528 0.960 1.00 37.05 H new ATOM 265 N GLU A 734 30.562 1.979 -1.047 1.00 53.97 N ATOM 266 CA GLU A 734 31.858 1.875 -1.746 1.00 64.64 C ATOM 267 C GLU A 734 31.681 2.162 -3.273 1.00 65.31 C ATOM 268 O GLU A 734 30.649 1.792 -3.869 1.00 53.93 O ATOM 269 CB GLU A 734 32.502 0.493 -1.460 1.00 63.78 C ATOM 270 CG GLU A 734 32.875 0.219 0.014 1.00 65.29 C ATOM 271 CD GLU A 734 31.705 -0.034 0.992 1.00 72.56 C ATOM 272 OE1 GLU A 734 30.617 -0.413 0.563 1.00 71.80 O ATOM 273 OE2 GLU A 734 31.844 0.126 2.223 1.00 73.71 O ATOM 0 H GLU A 734 30.226 1.220 -0.822 1.00 53.97 H new ATOM 0 HA GLU A 734 32.468 2.550 -1.409 1.00 64.64 H new ATOM 0 HB2 GLU A 734 31.889 -0.198 -1.755 1.00 63.78 H new ATOM 0 HB3 GLU A 734 33.304 0.410 -2.000 1.00 63.78 H new ATOM 0 HG2 GLU A 734 33.462 -0.552 0.039 1.00 65.29 H new ATOM 0 HG3 GLU A 734 33.386 0.975 0.342 1.00 65.29 H new ATOM 274 N ALA A 735 32.666 2.857 -3.868 1.00 81.19 N ATOM 275 CA ALA A 735 32.619 3.331 -5.283 1.00 88.83 C ATOM 276 C ALA A 735 32.216 2.238 -6.281 1.00101.80 C ATOM 277 O ALA A 735 31.199 2.365 -6.988 1.00112.78 O ATOM 278 CB ALA A 735 33.955 3.938 -5.706 1.00 80.79 C ATOM 0 H ALA A 735 33.393 3.073 -3.462 1.00 81.19 H new ATOM 0 HA ALA A 735 31.927 4.011 -5.305 1.00 88.83 H new ATOM 0 HB1 ALA A 735 33.898 4.237 -6.627 1.00 80.79 H new ATOM 0 HB2 ALA A 735 34.163 4.693 -5.134 1.00 80.79 H new ATOM 0 HB3 ALA A 735 34.654 3.270 -5.627 1.00 80.79 H new ATOM 279 N ASN A 736 32.998 1.162 -6.324 1.00 97.76 N ATOM 280 CA ASN A 736 32.698 0.061 -7.221 1.00 99.96 C ATOM 281 C ASN A 736 32.210 -1.161 -6.414 1.00100.29 C ATOM 282 O ASN A 736 31.263 -1.002 -5.640 1.00111.19 O ATOM 283 CB ASN A 736 33.880 -0.166 -8.172 1.00103.60 C ATOM 284 CG ASN A 736 33.433 -0.701 -9.515 1.00 97.03 C ATOM 285 OD1 ASN A 736 32.965 -1.830 -9.604 1.00113.73 O ATOM 286 ND2 ASN A 736 33.541 0.119 -10.560 1.00 80.30 N ATOM 0 H ASN A 736 33.703 1.054 -5.843 1.00 97.76 H new ATOM 0 HA ASN A 736 31.953 0.265 -7.808 1.00 99.96 H new ATOM 0 HB2 ASN A 736 34.356 0.669 -8.300 1.00103.60 H new ATOM 0 HB3 ASN A 736 34.504 -0.789 -7.768 1.00103.60 H new ATOM 0 HD21 ASN A 736 33.276 -0.138 -11.337 1.00 80.30 H new ATOM 0 HD22 ASN A 736 33.875 0.905 -10.457 1.00 80.30 H new ATOM 287 N LYS A 737 32.815 -2.345 -6.568 1.00 98.56 N ATOM 288 CA LYS A 737 32.364 -3.572 -5.899 1.00 99.00 C ATOM 289 C LYS A 737 31.003 -4.027 -6.443 1.00 98.09 C ATOM 290 O LYS A 737 29.956 -3.543 -6.016 1.00100.64 O ATOM 291 CB LYS A 737 32.326 -3.417 -4.360 1.00 92.67 C ATOM 0 H LYS A 737 33.505 -2.459 -7.069 1.00 98.56 H new ATOM 0 HA LYS A 737 33.016 -4.262 -6.098 1.00 99.00 H new ATOM 292 N ASN A 738 31.032 -4.933 -7.415 1.00 91.83 N ATOM 293 CA ASN A 738 29.836 -5.674 -7.839 1.00 86.84 C ATOM 294 C ASN A 738 30.170 -7.143 -7.633 1.00 85.21 C ATOM 295 O ASN A 738 31.235 -7.552 -8.066 1.00 99.25 O ATOM 296 CB ASN A 738 29.514 -5.405 -9.311 1.00 86.44 C ATOM 297 CG ASN A 738 29.588 -3.918 -9.665 1.00 82.57 C ATOM 298 OD1 ASN A 738 30.614 -3.268 -9.465 1.00 77.62 O ATOM 299 ND2 ASN A 738 28.497 -3.378 -10.194 1.00 79.93 N ATOM 0 H ASN A 738 31.744 -5.139 -7.851 1.00 91.83 H new ATOM 0 HA ASN A 738 29.056 -5.403 -7.330 1.00 86.84 H new ATOM 0 HB2 ASN A 738 30.134 -5.899 -9.870 1.00 86.44 H new ATOM 0 HB3 ASN A 738 28.625 -5.738 -9.511 1.00 86.44 H new ATOM 0 HD21 ASN A 738 28.491 -2.546 -10.410 1.00 79.93 H new ATOM 0 HD22 ASN A 738 27.796 -3.861 -10.321 1.00 79.93 H new ATOM 300 N PRO A 739 29.367 -7.926 -6.913 1.00 76.88 N ATOM 301 CA PRO A 739 28.275 -7.446 -6.089 1.00 73.52 C ATOM 302 C PRO A 739 28.735 -6.628 -4.850 1.00 66.89 C ATOM 303 O PRO A 739 29.913 -6.651 -4.471 1.00 64.01 O ATOM 304 CB PRO A 739 27.602 -8.746 -5.642 1.00 77.97 C ATOM 305 CG PRO A 739 28.740 -9.711 -5.523 1.00 77.97 C ATOM 306 CD PRO A 739 29.695 -9.338 -6.619 1.00 75.29 C ATOM 0 HA PRO A 739 27.704 -6.833 -6.577 1.00 73.52 H new ATOM 0 HB2 PRO A 739 27.139 -8.635 -4.797 1.00 77.97 H new ATOM 0 HB3 PRO A 739 26.945 -9.048 -6.288 1.00 77.97 H new ATOM 0 HG2 PRO A 739 29.164 -9.646 -4.653 1.00 77.97 H new ATOM 0 HG3 PRO A 739 28.434 -10.626 -5.622 1.00 77.97 H new ATOM 0 HD2 PRO A 739 30.617 -9.437 -6.336 1.00 75.29 H new ATOM 0 HD3 PRO A 739 29.576 -9.900 -7.400 1.00 75.29 H new ATOM 307 N TRP A 740 27.785 -5.910 -4.249 1.00 52.43 N ATOM 308 CA TRP A 740 27.999 -5.179 -2.989 1.00 49.43 C ATOM 309 C TRP A 740 27.139 -5.760 -1.868 1.00 43.22 C ATOM 310 O TRP A 740 25.940 -6.109 -2.040 1.00 39.76 O ATOM 311 CB TRP A 740 27.748 -3.679 -3.203 1.00 48.02 C ATOM 312 CG TRP A 740 27.909 -2.828 -1.977 1.00 46.89 C ATOM 313 CD1 TRP A 740 29.078 -2.420 -1.382 1.00 44.64 C ATOM 314 CD2 TRP A 740 26.845 -2.255 -1.223 1.00 38.30 C ATOM 315 NE1 TRP A 740 28.797 -1.620 -0.289 1.00 41.76 N ATOM 316 CE2 TRP A 740 27.436 -1.514 -0.159 1.00 39.92 C ATOM 317 CE3 TRP A 740 25.451 -2.302 -1.336 1.00 40.25 C ATOM 318 CZ2 TRP A 740 26.691 -0.857 0.783 1.00 37.04 C ATOM 319 CZ3 TRP A 740 24.691 -1.625 -0.388 1.00 38.68 C ATOM 320 CH2 TRP A 740 25.333 -0.880 0.650 1.00 38.35 C ATOM 0 H TRP A 740 26.988 -5.831 -4.562 1.00 52.43 H new ATOM 0 HA TRP A 740 28.923 -5.285 -2.712 1.00 49.43 H new ATOM 0 HB2 TRP A 740 28.357 -3.357 -3.886 1.00 48.02 H new ATOM 0 HB3 TRP A 740 26.849 -3.561 -3.546 1.00 48.02 H new ATOM 0 HD1 TRP A 740 29.932 -2.648 -1.671 1.00 44.64 H new ATOM 0 HE1 TRP A 740 29.380 -1.250 0.224 1.00 41.76 H new ATOM 0 HE3 TRP A 740 25.044 -2.773 -2.027 1.00 40.25 H new ATOM 0 HZ2 TRP A 740 27.097 -0.410 1.490 1.00 37.04 H new ATOM 0 HZ3 TRP A 740 23.762 -1.657 -0.429 1.00 38.68 H new ATOM 0 HH2 TRP A 740 24.811 -0.398 1.250 1.00 38.35 H new ATOM 321 N SER A 741 27.757 -5.921 -0.697 1.00 40.36 N ATOM 322 CA SER A 741 27.036 -6.399 0.455 1.00 35.16 C ATOM 323 C SER A 741 27.067 -5.261 1.533 1.00 30.98 C ATOM 324 O SER A 741 28.088 -4.720 1.815 1.00 25.03 O ATOM 325 CB SER A 741 27.662 -7.706 0.961 1.00 43.05 C ATOM 326 OG SER A 741 27.048 -8.844 0.347 1.00 41.07 O ATOM 0 H SER A 741 28.590 -5.757 -0.560 1.00 40.36 H new ATOM 0 HA SER A 741 26.113 -6.604 0.239 1.00 35.16 H new ATOM 0 HB2 SER A 741 28.613 -7.707 0.772 1.00 43.05 H new ATOM 0 HB3 SER A 741 27.565 -7.763 1.924 1.00 43.05 H new ATOM 0 HG SER A 741 26.241 -8.886 0.578 1.00 41.07 H new ATOM 327 N CYS A 742 25.906 -4.911 2.038 1.00 28.81 N ATOM 328 CA CYS A 742 25.740 -3.907 3.111 1.00 29.15 C ATOM 329 C CYS A 742 26.284 -4.440 4.435 1.00 24.30 C ATOM 330 O CYS A 742 26.439 -5.653 4.668 1.00 23.83 O ATOM 331 CB CYS A 742 24.213 -3.567 3.287 1.00 22.34 C ATOM 332 SG CYS A 742 23.137 -4.594 4.228 1.00 26.23 S ATOM 0 H CYS A 742 25.162 -5.250 1.771 1.00 28.81 H new ATOM 0 HA CYS A 742 26.233 -3.109 2.862 1.00 29.15 H new ATOM 0 HB2 CYS A 742 24.166 -2.680 3.677 1.00 22.34 H new ATOM 0 HB3 CYS A 742 23.835 -3.506 2.396 1.00 22.34 H new ATOM 333 N ILE A 743 26.432 -3.512 5.380 1.00 24.97 N ATOM 334 CA ILE A 743 26.884 -3.806 6.719 1.00 22.37 C ATOM 335 C ILE A 743 26.046 -4.806 7.499 1.00 23.86 C ATOM 336 O ILE A 743 26.589 -5.631 8.243 1.00 22.43 O ATOM 337 CB ILE A 743 27.087 -2.491 7.463 1.00 24.64 C ATOM 338 CG1 ILE A 743 27.800 -2.803 8.799 1.00 25.22 C ATOM 339 CG2 ILE A 743 25.776 -1.769 7.632 1.00 22.99 C ATOM 340 CD1 ILE A 743 28.426 -1.620 9.395 1.00 29.30 C ATOM 0 H ILE A 743 26.266 -2.678 5.248 1.00 24.97 H new ATOM 0 HA ILE A 743 27.728 -4.277 6.634 1.00 22.37 H new ATOM 0 HB ILE A 743 27.650 -1.884 6.957 1.00 24.64 H new ATOM 0 HG12 ILE A 743 27.159 -3.175 9.425 1.00 25.22 H new ATOM 0 HG13 ILE A 743 28.477 -3.482 8.649 1.00 25.22 H new ATOM 0 HG21 ILE A 743 25.924 -0.936 8.107 1.00 22.99 H new ATOM 0 HG22 ILE A 743 25.395 -1.581 6.760 1.00 22.99 H new ATOM 0 HG23 ILE A 743 25.163 -2.325 8.139 1.00 22.99 H new ATOM 0 HD11 ILE A 743 28.858 -1.867 10.228 1.00 29.30 H new ATOM 0 HD12 ILE A 743 29.087 -1.260 8.783 1.00 29.30 H new ATOM 0 HD13 ILE A 743 27.748 -0.948 9.570 1.00 29.30 H new ATOM 341 N PHE A 744 24.713 -4.850 7.284 1.00 23.64 N ATOM 342 CA PHE A 744 23.909 -5.833 7.926 1.00 24.10 C ATOM 343 C PHE A 744 24.348 -7.248 7.452 1.00 25.81 C ATOM 344 O PHE A 744 24.434 -8.210 8.272 1.00 26.12 O ATOM 345 CB PHE A 744 22.390 -5.663 7.670 1.00 25.15 C ATOM 346 CG PHE A 744 21.757 -4.430 8.295 1.00 21.39 C ATOM 347 CD1 PHE A 744 21.888 -3.214 7.720 1.00 23.37 C ATOM 348 CD2 PHE A 744 20.984 -4.561 9.429 1.00 22.43 C ATOM 349 CE1 PHE A 744 21.237 -2.080 8.279 1.00 24.56 C ATOM 350 CE2 PHE A 744 20.351 -3.470 10.008 1.00 24.11 C ATOM 351 CZ PHE A 744 20.482 -2.230 9.441 1.00 20.07 C ATOM 0 H PHE A 744 24.284 -4.311 6.769 1.00 23.64 H new ATOM 0 HA PHE A 744 24.047 -5.720 8.880 1.00 24.10 H new ATOM 0 HB2 PHE A 744 22.240 -5.634 6.712 1.00 25.15 H new ATOM 0 HB3 PHE A 744 21.931 -6.449 8.006 1.00 25.15 H new ATOM 0 HD1 PHE A 744 22.407 -3.118 6.954 1.00 23.37 H new ATOM 0 HD2 PHE A 744 20.884 -5.401 9.815 1.00 22.43 H new ATOM 0 HE1 PHE A 744 21.314 -1.247 7.873 1.00 24.56 H new ATOM 0 HE2 PHE A 744 19.840 -3.580 10.777 1.00 24.11 H new ATOM 0 HZ PHE A 744 20.070 -1.492 9.829 1.00 20.07 H new ATOM 352 N CYS A 745 24.582 -7.362 6.155 1.00 30.90 N ATOM 353 CA CYS A 745 25.016 -8.647 5.545 1.00 30.31 C ATOM 354 C CYS A 745 26.409 -9.054 6.029 1.00 29.01 C ATOM 355 O CYS A 745 26.663 -10.235 6.310 1.00 28.91 O ATOM 356 CB CYS A 745 24.992 -8.560 3.993 1.00 31.06 C ATOM 357 SG CYS A 745 23.283 -8.645 3.405 1.00 34.63 S ATOM 0 H CYS A 745 24.500 -6.714 5.595 1.00 30.90 H new ATOM 0 HA CYS A 745 24.387 -9.329 5.828 1.00 30.31 H new ATOM 0 HB2 CYS A 745 25.403 -7.732 3.700 1.00 31.06 H new ATOM 0 HB3 CYS A 745 25.511 -9.285 3.611 1.00 31.06 H new ATOM 358 N ARG A 746 27.306 -8.073 6.104 1.00 25.01 N ATOM 359 CA ARG A 746 28.680 -8.327 6.565 1.00 27.49 C ATOM 360 C ARG A 746 28.726 -8.744 8.009 1.00 28.04 C ATOM 361 O ARG A 746 29.456 -9.688 8.359 1.00 27.92 O ATOM 362 CB ARG A 746 29.566 -7.134 6.329 1.00 28.57 C ATOM 363 CG ARG A 746 29.751 -6.911 4.864 1.00 29.46 C ATOM 364 CD ARG A 746 30.375 -5.606 4.572 1.00 33.74 C ATOM 365 NE ARG A 746 31.737 -5.590 5.044 1.00 43.20 N ATOM 366 CZ ARG A 746 32.509 -4.503 5.124 1.00 52.46 C ATOM 367 NH1 ARG A 746 32.035 -3.302 4.721 1.00 61.49 N ATOM 368 NH2 ARG A 746 33.766 -4.614 5.597 1.00 47.07 N ATOM 0 H ARG A 746 27.145 -7.255 5.894 1.00 25.01 H new ATOM 0 HA ARG A 746 29.018 -9.067 6.038 1.00 27.49 H new ATOM 0 HB2 ARG A 746 29.174 -6.346 6.736 1.00 28.57 H new ATOM 0 HB3 ARG A 746 30.427 -7.273 6.753 1.00 28.57 H new ATOM 0 HG2 ARG A 746 30.302 -7.620 4.498 1.00 29.46 H new ATOM 0 HG3 ARG A 746 28.890 -6.963 4.420 1.00 29.46 H new ATOM 0 HD2 ARG A 746 30.354 -5.436 3.617 1.00 33.74 H new ATOM 0 HD3 ARG A 746 29.870 -4.896 4.997 1.00 33.74 H new ATOM 0 HE ARG A 746 32.079 -6.339 5.293 1.00 43.20 H new ATOM 0 HH11 ARG A 746 31.235 -3.237 4.412 1.00 61.49 H new ATOM 0 HH12 ARG A 746 32.534 -2.603 4.773 1.00 61.49 H new ATOM 0 HH21 ARG A 746 34.066 -5.381 5.845 1.00 47.07 H new ATOM 0 HH22 ARG A 746 34.268 -3.918 5.651 1.00 47.07 H new ATOM 369 N ILE A 747 27.883 -8.149 8.848 1.00 23.57 N ATOM 370 CA ILE A 747 27.766 -8.581 10.262 1.00 25.76 C ATOM 371 C ILE A 747 27.199 -10.008 10.386 1.00 27.05 C ATOM 372 O ILE A 747 27.687 -10.874 11.171 1.00 29.30 O ATOM 373 CB ILE A 747 26.892 -7.613 11.071 1.00 25.99 C ATOM 374 CG1 ILE A 747 27.603 -6.291 11.220 1.00 24.62 C ATOM 375 CG2 ILE A 747 26.567 -8.176 12.425 1.00 30.70 C ATOM 376 CD1 ILE A 747 28.777 -6.190 12.181 1.00 23.87 C ATOM 0 H ILE A 747 27.368 -7.496 8.631 1.00 23.57 H new ATOM 0 HA ILE A 747 28.666 -8.576 10.624 1.00 25.76 H new ATOM 0 HB ILE A 747 26.058 -7.482 10.593 1.00 25.99 H new ATOM 0 HG12 ILE A 747 27.920 -6.028 10.342 1.00 24.62 H new ATOM 0 HG13 ILE A 747 26.944 -5.633 11.492 1.00 24.62 H new ATOM 0 HG21 ILE A 747 26.015 -7.546 12.914 1.00 30.70 H new ATOM 0 HG22 ILE A 747 26.087 -9.012 12.321 1.00 30.70 H new ATOM 0 HG23 ILE A 747 27.389 -8.334 12.916 1.00 30.70 H new ATOM 0 HD11 ILE A 747 29.129 -5.286 12.169 1.00 23.87 H new ATOM 0 HD12 ILE A 747 28.481 -6.409 13.078 1.00 23.87 H new ATOM 0 HD13 ILE A 747 29.472 -6.810 11.910 1.00 23.87 H new ATOM 377 N LYS A 748 26.197 -10.288 9.587 1.00 30.91 N ATOM 378 CA LYS A 748 25.599 -11.643 9.592 1.00 33.26 C ATOM 379 C LYS A 748 26.649 -12.684 9.194 1.00 30.30 C ATOM 380 O LYS A 748 26.749 -13.735 9.830 1.00 29.73 O ATOM 381 CB LYS A 748 24.390 -11.674 8.668 1.00 37.42 C ATOM 382 CG LYS A 748 23.628 -12.986 8.677 1.00 44.48 C ATOM 383 CD LYS A 748 22.845 -13.216 7.385 1.00 58.32 C ATOM 384 CE LYS A 748 21.848 -12.095 7.105 1.00 69.92 C ATOM 385 NZ LYS A 748 20.802 -11.919 8.162 1.00 79.32 N ATOM 0 H LYS A 748 25.839 -9.733 9.036 1.00 30.91 H new ATOM 0 HA LYS A 748 25.296 -11.864 10.487 1.00 33.26 H new ATOM 0 HB2 LYS A 748 23.785 -10.959 8.921 1.00 37.42 H new ATOM 0 HB3 LYS A 748 24.684 -11.489 7.762 1.00 37.42 H new ATOM 0 HG2 LYS A 748 24.251 -13.718 8.809 1.00 44.48 H new ATOM 0 HG3 LYS A 748 23.016 -12.996 9.429 1.00 44.48 H new ATOM 0 HD2 LYS A 748 23.465 -13.288 6.642 1.00 58.32 H new ATOM 0 HD3 LYS A 748 22.371 -14.061 7.442 1.00 58.32 H new ATOM 0 HE2 LYS A 748 22.335 -11.262 7.005 1.00 69.92 H new ATOM 0 HE3 LYS A 748 21.410 -12.271 6.258 1.00 69.92 H new ATOM 0 HZ1 LYS A 748 20.259 -11.252 7.934 1.00 79.32 H new ATOM 0 HZ2 LYS A 748 20.332 -12.670 8.242 1.00 79.32 H new ATOM 0 HZ3 LYS A 748 21.193 -11.730 8.939 1.00 79.32 H new ATOM 386 N THR A 749 27.495 -12.370 8.225 1.00 30.60 N ATOM 387 CA THR A 749 28.546 -13.320 7.817 1.00 30.99 C ATOM 388 C THR A 749 29.527 -13.647 8.926 1.00 37.53 C ATOM 389 O THR A 749 29.912 -14.838 9.109 1.00 35.30 O ATOM 390 CB THR A 749 29.272 -12.780 6.583 1.00 32.98 C ATOM 391 OG1 THR A 749 28.313 -12.746 5.520 1.00 35.72 O ATOM 392 CG2 THR A 749 30.427 -13.666 6.173 1.00 35.87 C ATOM 0 H THR A 749 27.487 -11.627 7.791 1.00 30.60 H new ATOM 0 HA THR A 749 28.108 -14.158 7.601 1.00 30.99 H new ATOM 0 HB THR A 749 29.636 -11.903 6.781 1.00 32.98 H new ATOM 0 HG1 THR A 749 27.797 -12.092 5.629 1.00 35.72 H new ATOM 0 HG21 THR A 749 30.860 -13.292 5.390 1.00 35.87 H new ATOM 0 HG22 THR A 749 31.066 -13.722 6.900 1.00 35.87 H new ATOM 0 HG23 THR A 749 30.096 -14.554 5.965 1.00 35.87 H new ATOM 393 N ILE A 750 29.933 -12.619 9.682 1.00 36.52 N ATOM 394 CA ILE A 750 30.802 -12.823 10.869 1.00 39.12 C ATOM 395 C ILE A 750 30.221 -13.855 11.786 1.00 38.75 C ATOM 396 O ILE A 750 30.946 -14.780 12.177 1.00 44.02 O ATOM 397 CB ILE A 750 31.037 -11.576 11.764 1.00 43.50 C ATOM 398 CG1 ILE A 750 31.623 -10.393 11.010 1.00 46.43 C ATOM 399 CG2 ILE A 750 32.000 -11.894 12.916 1.00 47.49 C ATOM 400 CD1 ILE A 750 32.763 -10.742 10.101 1.00 46.82 C ATOM 0 H ILE A 750 29.722 -11.799 9.532 1.00 36.52 H new ATOM 0 HA ILE A 750 31.647 -13.082 10.469 1.00 39.12 H new ATOM 0 HB ILE A 750 30.156 -11.339 12.093 1.00 43.50 H new ATOM 0 HG12 ILE A 750 30.921 -9.978 10.485 1.00 46.43 H new ATOM 0 HG13 ILE A 750 31.926 -9.732 11.652 1.00 46.43 H new ATOM 0 HG21 ILE A 750 32.129 -11.100 13.458 1.00 47.49 H new ATOM 0 HG22 ILE A 750 31.627 -12.602 13.464 1.00 47.49 H new ATOM 0 HG23 ILE A 750 32.853 -12.181 12.555 1.00 47.49 H new ATOM 0 HD11 ILE A 750 33.081 -9.940 9.658 1.00 46.82 H new ATOM 0 HD12 ILE A 750 33.484 -11.131 10.620 1.00 46.82 H new ATOM 0 HD13 ILE A 750 32.463 -11.381 9.436 1.00 46.82 H new ATOM 401 N GLN A 751 28.946 -13.692 12.153 1.00 40.29 N ATOM 402 CA GLN A 751 28.256 -14.591 13.074 1.00 45.16 C ATOM 403 C GLN A 751 28.136 -16.019 12.535 1.00 48.16 C ATOM 404 O GLN A 751 28.244 -16.985 13.297 1.00 53.40 O ATOM 405 CB GLN A 751 26.847 -14.106 13.385 1.00 47.13 C ATOM 406 CG GLN A 751 26.804 -12.817 14.170 1.00 55.74 C ATOM 407 CD GLN A 751 25.402 -12.213 14.257 1.00 60.70 C ATOM 408 OE1 GLN A 751 24.421 -12.804 13.800 1.00 66.78 O ATOM 409 NE2 GLN A 751 25.313 -11.025 14.834 1.00 58.36 N ATOM 0 H GLN A 751 28.454 -13.047 11.868 1.00 40.29 H new ATOM 0 HA GLN A 751 28.803 -14.593 13.875 1.00 45.16 H new ATOM 0 HB2 GLN A 751 26.365 -13.984 12.552 1.00 47.13 H new ATOM 0 HB3 GLN A 751 26.380 -14.794 13.884 1.00 47.13 H new ATOM 0 HG2 GLN A 751 27.136 -12.980 15.067 1.00 55.74 H new ATOM 0 HG3 GLN A 751 27.402 -12.174 13.758 1.00 55.74 H new ATOM 0 HE21 GLN A 751 26.019 -10.642 15.142 1.00 58.36 H new ATOM 0 HE22 GLN A 751 24.549 -10.636 14.901 1.00 58.36 H new ATOM 410 N GLU A 752 27.857 -16.129 11.238 1.00 43.62 N ATOM 411 CA GLU A 752 27.755 -17.433 10.552 1.00 44.93 C ATOM 412 C GLU A 752 29.097 -18.182 10.442 1.00 40.76 C ATOM 413 O GLU A 752 29.165 -19.428 10.603 1.00 45.60 O ATOM 414 CB GLU A 752 27.142 -17.241 9.167 1.00 43.99 C ATOM 415 CG GLU A 752 25.672 -16.873 9.238 1.00 46.77 C ATOM 416 CD GLU A 752 25.086 -16.586 7.860 1.00 55.74 C ATOM 417 OE1 GLU A 752 25.855 -16.475 6.878 1.00 48.26 O ATOM 418 OE2 GLU A 752 23.841 -16.465 7.772 1.00 63.52 O ATOM 0 H GLU A 752 27.720 -15.453 10.724 1.00 43.62 H new ATOM 0 HA GLU A 752 27.181 -17.990 11.100 1.00 44.93 H new ATOM 0 HB2 GLU A 752 27.626 -16.545 8.694 1.00 43.99 H new ATOM 0 HB3 GLU A 752 27.245 -18.057 8.653 1.00 43.99 H new ATOM 0 HG2 GLU A 752 25.178 -17.597 9.654 1.00 46.77 H new ATOM 0 HG3 GLU A 752 25.562 -16.093 9.804 1.00 46.77 H new ATOM 419 N ARG A 753 30.159 -17.445 10.180 1.00 39.75 N ATOM 420 CA ARG A 753 31.502 -18.019 10.184 1.00 43.02 C ATOM 421 C ARG A 753 31.933 -18.498 11.566 1.00 47.51 C ATOM 422 O ARG A 753 32.593 -19.533 11.627 1.00 56.86 O ATOM 423 CB ARG A 753 32.547 -17.084 9.594 1.00 44.14 C ATOM 424 CG ARG A 753 32.395 -16.963 8.075 1.00 51.83 C ATOM 425 CD ARG A 753 33.412 -16.027 7.389 1.00 55.41 C ATOM 426 NE ARG A 753 33.433 -16.303 5.953 1.00 57.60 N ATOM 427 CZ ARG A 753 33.786 -15.446 5.005 1.00 64.19 C ATOM 428 NH1 ARG A 753 34.205 -14.208 5.296 1.00 64.33 N ATOM 429 NH2 ARG A 753 33.721 -15.843 3.736 1.00 66.87 N ATOM 0 H ARG A 753 30.130 -16.605 9.996 1.00 39.75 H new ATOM 0 HA ARG A 753 31.446 -18.796 9.606 1.00 43.02 H new ATOM 0 HB2 ARG A 753 32.465 -16.207 10.000 1.00 44.14 H new ATOM 0 HB3 ARG A 753 33.434 -17.413 9.807 1.00 44.14 H new ATOM 0 HG2 ARG A 753 32.475 -17.847 7.684 1.00 51.83 H new ATOM 0 HG3 ARG A 753 31.500 -16.646 7.878 1.00 51.83 H new ATOM 0 HD2 ARG A 753 33.172 -15.101 7.547 1.00 55.41 H new ATOM 0 HD3 ARG A 753 34.295 -16.160 7.767 1.00 55.41 H new ATOM 0 HE ARG A 753 33.196 -17.090 5.701 1.00 57.60 H new ATOM 0 HH11 ARG A 753 34.250 -13.951 6.115 1.00 64.33 H new ATOM 0 HH12 ARG A 753 34.429 -13.670 4.663 1.00 64.33 H new ATOM 0 HH21 ARG A 753 33.455 -16.639 3.547 1.00 66.87 H new ATOM 0 HH22 ARG A 753 33.945 -15.304 3.105 1.00 66.87 H new ATOM 430 N CYS A 754 31.532 -17.806 12.644 1.00 37.74 N ATOM 431 CA ACYS A 754 31.910 -18.174 14.014 0.55 40.16 C ATOM 432 CA BCYS A 754 31.956 -18.133 14.016 0.45 36.45 C ATOM 433 C CYS A 754 30.726 -18.116 14.951 1.00 37.36 C ATOM 434 O CYS A 754 30.565 -17.160 15.724 1.00 32.21 O ATOM 435 CB ACYS A 754 33.020 -17.276 14.507 0.55 42.35 C ATOM 436 CB BCYS A 754 33.045 -17.115 14.443 0.45 34.65 C ATOM 437 SG ACYS A 754 34.517 -17.699 13.639 0.55 51.73 S ATOM 438 SG BCYS A 754 33.976 -17.361 15.994 0.45 31.72 S ATOM 0 H ACYS A 754 31.032 -17.108 12.598 0.55 37.74 H new ATOM 0 H BCYS A 754 31.003 -17.130 12.598 0.45 37.74 H new ATOM 0 HA ACYS A 754 32.228 -19.090 14.000 0.55 36.45 H new ATOM 0 HA BCYS A 754 32.338 -19.023 14.067 0.45 36.45 H new ATOM 0 HB2ACYS A 754 32.793 -16.345 14.354 0.55 34.65 H new ATOM 0 HB2BCYS A 754 33.693 -17.069 13.723 0.45 34.65 H new ATOM 0 HB3ACYS A 754 33.142 -17.385 15.463 0.55 34.65 H new ATOM 0 HB3BCYS A 754 32.619 -16.245 14.498 0.45 34.65 H new ATOM 0 HG ACYS A 754 35.412 -16.994 14.016 0.55 31.72 H new ATOM 0 HG BCYS A 754 34.765 -16.467 16.134 0.45 31.72 H new ATOM 439 N PRO A 755 29.853 -19.177 14.896 1.00 34.88 N ATOM 440 CA PRO A 755 28.624 -19.196 15.684 1.00 34.42 C ATOM 441 C PRO A 755 28.860 -18.986 17.189 1.00 33.30 C ATOM 442 O PRO A 755 28.018 -18.356 17.854 1.00 33.45 O ATOM 443 CB PRO A 755 27.999 -20.588 15.393 1.00 37.99 C ATOM 444 CG PRO A 755 28.707 -21.107 14.180 1.00 36.12 C ATOM 445 CD PRO A 755 30.050 -20.445 14.134 1.00 37.73 C ATOM 0 HA PRO A 755 28.041 -18.462 15.436 1.00 34.42 H new ATOM 0 HB2 PRO A 755 28.116 -21.187 16.147 1.00 37.99 H new ATOM 0 HB3 PRO A 755 27.045 -20.515 15.234 1.00 37.99 H new ATOM 0 HG2 PRO A 755 28.802 -22.071 14.225 1.00 36.12 H new ATOM 0 HG3 PRO A 755 28.200 -20.909 13.377 1.00 36.12 H new ATOM 0 HD2 PRO A 755 30.734 -21.001 14.539 1.00 37.73 H new ATOM 0 HD3 PRO A 755 30.330 -20.271 13.222 1.00 37.73 H new ATOM 446 N GLU A 756 30.021 -19.421 17.678 1.00 30.02 N ATOM 447 CA GLU A 756 30.356 -19.282 19.092 1.00 34.93 C ATOM 448 C GLU A 756 30.576 -17.831 19.497 1.00 34.40 C ATOM 449 O GLU A 756 30.599 -17.540 20.695 1.00 29.10 O ATOM 450 CB GLU A 756 31.590 -20.121 19.462 1.00 37.20 C ATOM 451 CG GLU A 756 32.922 -19.633 18.881 1.00 46.93 C ATOM 452 CD GLU A 756 33.256 -20.175 17.463 1.00 53.92 C ATOM 453 OE1 GLU A 756 32.352 -20.509 16.626 1.00 53.10 O ATOM 454 OE2 GLU A 756 34.466 -20.248 17.145 1.00 66.30 O ATOM 0 H GLU A 756 30.630 -19.801 17.204 1.00 30.02 H new ATOM 0 HA GLU A 756 29.590 -19.615 19.585 1.00 34.93 H new ATOM 0 HB2 GLU A 756 31.667 -20.145 20.429 1.00 37.20 H new ATOM 0 HB3 GLU A 756 31.441 -21.033 19.167 1.00 37.20 H new ATOM 0 HG2 GLU A 756 32.909 -18.664 18.848 1.00 46.93 H new ATOM 0 HG3 GLU A 756 33.636 -19.887 19.486 1.00 46.93 H new ATOM 455 N SER A 757 30.747 -16.936 18.496 1.00 31.59 N ATOM 456 CA SER A 757 30.859 -15.503 18.749 1.00 31.65 C ATOM 457 C SER A 757 29.575 -14.912 19.368 1.00 30.95 C ATOM 458 O SER A 757 29.631 -13.830 19.886 1.00 28.43 O ATOM 459 CB SER A 757 31.200 -14.737 17.453 1.00 32.11 C ATOM 460 OG SER A 757 30.056 -14.707 16.574 1.00 34.57 O ATOM 0 H SER A 757 30.799 -17.153 17.665 1.00 31.59 H new ATOM 0 HA SER A 757 31.579 -15.396 19.390 1.00 31.65 H new ATOM 0 HB2 SER A 757 31.475 -13.832 17.668 1.00 32.11 H new ATOM 0 HB3 SER A 757 31.948 -15.162 17.006 1.00 32.11 H new ATOM 0 HG SER A 757 30.002 -15.436 16.160 1.00 34.57 H new ATOM 461 N GLN A 758 28.440 -15.618 19.314 1.00 27.78 N ATOM 462 CA GLN A 758 27.225 -15.229 20.000 1.00 32.09 C ATOM 463 C GLN A 758 27.059 -15.707 21.430 1.00 27.22 C ATOM 464 O GLN A 758 26.077 -15.299 22.064 1.00 25.16 O ATOM 465 CB GLN A 758 25.987 -15.687 19.205 1.00 35.43 C ATOM 466 CG GLN A 758 25.915 -15.106 17.799 1.00 46.34 C ATOM 467 CD GLN A 758 25.006 -15.973 16.973 1.00 60.48 C ATOM 468 OE1 GLN A 758 25.466 -16.958 16.351 1.00 73.47 O ATOM 469 NE2 GLN A 758 23.695 -15.724 17.080 1.00 62.00 N ATOM 0 H GLN A 758 28.363 -16.349 18.867 1.00 27.78 H new ATOM 0 HA GLN A 758 27.306 -14.264 20.051 1.00 32.09 H new ATOM 0 HB2 GLN A 758 25.990 -16.655 19.147 1.00 35.43 H new ATOM 0 HB3 GLN A 758 25.187 -15.434 19.692 1.00 35.43 H new ATOM 0 HG2 GLN A 758 25.580 -14.196 17.827 1.00 46.34 H new ATOM 0 HG3 GLN A 758 26.800 -15.071 17.403 1.00 46.34 H new ATOM 0 HE21 GLN A 758 23.422 -15.035 17.517 1.00 62.00 H new ATOM 0 HE22 GLN A 758 23.125 -16.253 16.712 1.00 62.00 H new ATOM 470 N SER A 759 27.971 -16.545 21.942 1.00 23.62 N ATOM 471 CA SER A 759 27.964 -16.844 23.343 1.00 23.21 C ATOM 472 C SER A 759 28.255 -15.572 24.146 1.00 26.94 C ATOM 473 O SER A 759 28.955 -14.638 23.649 1.00 26.00 O ATOM 474 CB SER A 759 28.984 -17.918 23.736 1.00 24.10 C ATOM 475 OG SER A 759 28.645 -19.138 23.099 1.00 22.45 O ATOM 0 H SER A 759 28.587 -16.937 21.487 1.00 23.62 H new ATOM 0 HA SER A 759 27.081 -17.191 23.546 1.00 23.21 H new ATOM 0 HB2 SER A 759 29.877 -17.642 23.476 1.00 24.10 H new ATOM 0 HB3 SER A 759 28.992 -18.035 24.699 1.00 24.10 H new ATOM 0 HG SER A 759 29.281 -19.681 23.176 1.00 22.45 H new ATOM 476 N GLY A 760 27.802 -15.558 25.394 1.00 23.90 N ATOM 477 CA GLY A 760 27.852 -14.294 26.156 1.00 26.32 C ATOM 478 C GLY A 760 29.270 -13.872 26.508 1.00 28.99 C ATOM 479 O GLY A 760 30.174 -14.730 26.743 1.00 24.07 O ATOM 0 H GLY A 760 27.473 -16.234 25.812 1.00 23.90 H new ATOM 0 HA2 GLY A 760 27.430 -13.592 25.637 1.00 26.32 H new ATOM 0 HA3 GLY A 760 27.337 -14.393 26.972 1.00 26.32 H new ATOM 480 N HIS A 761 29.462 -12.552 26.605 1.00 22.23 N ATOM 481 CA HIS A 761 30.737 -11.944 26.914 1.00 24.06 C ATOM 482 C HIS A 761 30.572 -10.953 28.023 1.00 24.22 C ATOM 483 O HIS A 761 29.490 -10.470 28.266 1.00 22.23 O ATOM 484 CB HIS A 761 31.295 -11.168 25.705 1.00 24.24 C ATOM 485 CG HIS A 761 31.584 -12.025 24.534 1.00 26.87 C ATOM 486 ND1 HIS A 761 30.621 -12.341 23.615 1.00 26.40 N ATOM 487 CD2 HIS A 761 32.723 -12.606 24.108 1.00 31.43 C ATOM 488 CE1 HIS A 761 31.154 -13.071 22.653 1.00 30.71 C ATOM 489 NE2 HIS A 761 32.426 -13.260 22.935 1.00 32.81 N ATOM 0 H HIS A 761 28.831 -11.980 26.488 1.00 22.23 H new ATOM 0 HA HIS A 761 31.343 -12.660 27.161 1.00 24.06 H new ATOM 0 HB2 HIS A 761 30.657 -10.484 25.447 1.00 24.24 H new ATOM 0 HB3 HIS A 761 32.108 -10.711 25.971 1.00 24.24 H new ATOM 0 HD1 HIS A 761 29.796 -12.101 23.657 1.00 26.40 H new ATOM 0 HD2 HIS A 761 33.552 -12.571 24.527 1.00 31.43 H new ATOM 0 HE1 HIS A 761 30.708 -13.396 21.905 1.00 30.71 H new ATOM 490 N GLN A 762 31.681 -10.683 28.740 1.00 24.25 N ATOM 491 CA GLN A 762 31.697 -9.634 29.742 1.00 25.15 C ATOM 492 C GLN A 762 32.007 -8.304 29.048 1.00 21.44 C ATOM 493 O GLN A 762 32.907 -8.261 28.223 1.00 21.19 O ATOM 494 CB GLN A 762 32.807 -9.884 30.745 1.00 27.79 C ATOM 495 CG GLN A 762 32.623 -11.206 31.534 1.00 33.74 C ATOM 496 CD GLN A 762 31.353 -11.188 32.335 1.00 38.31 C ATOM 497 OE1 GLN A 762 30.391 -11.932 32.065 1.00 46.40 O ATOM 498 NE2 GLN A 762 31.316 -10.331 33.325 1.00 41.63 N ATOM 0 H GLN A 762 32.426 -11.103 28.651 1.00 24.25 H new ATOM 0 HA GLN A 762 30.837 -9.616 30.191 1.00 25.15 H new ATOM 0 HB2 GLN A 762 33.658 -9.907 30.280 1.00 27.79 H new ATOM 0 HB3 GLN A 762 32.845 -9.143 31.370 1.00 27.79 H new ATOM 0 HG2 GLN A 762 32.609 -11.954 30.917 1.00 33.74 H new ATOM 0 HG3 GLN A 762 33.380 -11.340 32.126 1.00 33.74 H new ATOM 0 HE21 GLN A 762 31.997 -9.831 33.486 1.00 41.63 H new ATOM 0 HE22 GLN A 762 30.611 -10.269 33.814 1.00 41.63 H new ATOM 499 N GLU A 763 31.301 -7.270 29.446 1.00 22.68 N ATOM 500 CA GLU A 763 31.521 -5.932 28.856 1.00 24.29 C ATOM 501 C GLU A 763 32.978 -5.481 29.026 1.00 23.60 C ATOM 502 O GLU A 763 33.602 -4.918 28.135 1.00 21.81 O ATOM 503 CB GLU A 763 30.565 -4.900 29.481 1.00 25.76 C ATOM 504 CG GLU A 763 30.782 -3.518 28.841 1.00 27.20 C ATOM 505 CD GLU A 763 29.885 -2.402 29.347 1.00 28.27 C ATOM 506 OE1 GLU A 763 28.727 -2.542 29.389 1.00 29.23 O ATOM 507 OE2 GLU A 763 30.382 -1.357 29.702 1.00 30.20 O ATOM 0 H GLU A 763 30.690 -7.302 30.051 1.00 22.68 H new ATOM 0 HA GLU A 763 31.335 -5.994 27.906 1.00 24.29 H new ATOM 0 HB2 GLU A 763 29.646 -5.182 29.353 1.00 25.76 H new ATOM 0 HB3 GLU A 763 30.715 -4.848 30.438 1.00 25.76 H new ATOM 0 HG2 GLU A 763 31.705 -3.257 28.983 1.00 27.20 H new ATOM 0 HG3 GLU A 763 30.655 -3.601 27.883 1.00 27.20 H new ATOM 508 N SER A 764 33.563 -5.768 30.200 1.00 24.29 N ATOM 509 CA SER A 764 34.932 -5.357 30.456 1.00 24.07 C ATOM 510 C SER A 764 35.936 -5.957 29.446 1.00 23.40 C ATOM 511 O SER A 764 36.832 -5.245 29.007 1.00 23.22 O ATOM 512 CB SER A 764 35.288 -5.672 31.961 1.00 29.36 C ATOM 513 OG SER A 764 35.221 -7.104 32.152 1.00 30.54 O ATOM 0 H SER A 764 33.184 -6.193 30.844 1.00 24.29 H new ATOM 0 HA SER A 764 35.006 -4.399 30.320 1.00 24.07 H new ATOM 0 HB2 SER A 764 36.175 -5.344 32.174 1.00 29.36 H new ATOM 0 HB3 SER A 764 34.668 -5.222 32.556 1.00 29.36 H new ATOM 0 HG SER A 764 34.431 -7.326 32.331 1.00 30.54 H new ATOM 514 N GLU A 765 35.747 -7.220 29.024 1.00 22.04 N ATOM 515 CA GLU A 765 36.543 -7.849 28.007 1.00 24.08 C ATOM 516 C GLU A 765 36.311 -7.223 26.625 1.00 22.21 C ATOM 517 O GLU A 765 37.282 -6.921 25.905 1.00 21.36 O ATOM 518 CB GLU A 765 36.248 -9.384 27.944 1.00 24.84 C ATOM 519 CG GLU A 765 37.045 -10.137 26.835 1.00 28.87 C ATOM 520 CD GLU A 765 36.359 -10.256 25.472 1.00 31.82 C ATOM 521 OE1 GLU A 765 35.130 -10.505 25.417 1.00 32.92 O ATOM 522 OE2 GLU A 765 37.072 -10.149 24.431 1.00 32.42 O ATOM 0 H GLU A 765 35.132 -7.731 29.341 1.00 22.04 H new ATOM 0 HA GLU A 765 37.472 -7.708 28.249 1.00 24.08 H new ATOM 0 HB2 GLU A 765 36.456 -9.780 28.805 1.00 24.84 H new ATOM 0 HB3 GLU A 765 35.299 -9.516 27.794 1.00 24.84 H new ATOM 0 HG2 GLU A 765 37.894 -9.686 26.710 1.00 28.87 H new ATOM 0 HG3 GLU A 765 37.243 -11.031 27.156 1.00 28.87 H new ATOM 523 N VAL A 766 35.046 -6.999 26.308 1.00 19.20 N ATOM 524 CA VAL A 766 34.688 -6.387 25.021 1.00 19.17 C ATOM 525 C VAL A 766 35.395 -5.023 24.873 1.00 17.29 C ATOM 526 O VAL A 766 35.964 -4.752 23.825 1.00 19.90 O ATOM 527 CB VAL A 766 33.165 -6.282 24.851 1.00 22.35 C ATOM 528 CG1 VAL A 766 32.770 -5.438 23.630 1.00 20.87 C ATOM 529 CG2 VAL A 766 32.610 -7.702 24.703 1.00 24.46 C ATOM 0 H VAL A 766 34.378 -7.190 26.815 1.00 19.20 H new ATOM 0 HA VAL A 766 34.999 -6.961 24.304 1.00 19.17 H new ATOM 0 HB VAL A 766 32.794 -5.838 25.629 1.00 22.35 H new ATOM 0 HG11 VAL A 766 31.803 -5.399 23.562 1.00 20.87 H new ATOM 0 HG12 VAL A 766 33.123 -4.540 23.729 1.00 20.87 H new ATOM 0 HG13 VAL A 766 33.134 -5.841 22.826 1.00 20.87 H new ATOM 0 HG21 VAL A 766 31.647 -7.663 24.594 1.00 24.46 H new ATOM 0 HG22 VAL A 766 33.006 -8.125 23.925 1.00 24.46 H new ATOM 0 HG23 VAL A 766 32.825 -8.218 25.496 1.00 24.46 H new ATOM 530 N LEU A 767 35.377 -4.209 25.922 1.00 18.68 N ATOM 531 CA LEU A 767 35.905 -2.844 25.828 1.00 19.01 C ATOM 532 C LEU A 767 37.404 -2.807 25.561 1.00 23.02 C ATOM 533 O LEU A 767 37.924 -1.898 24.909 1.00 20.51 O ATOM 534 CB LEU A 767 35.509 -1.973 27.014 1.00 20.47 C ATOM 535 CG LEU A 767 34.006 -1.709 27.256 1.00 25.81 C ATOM 536 CD1 LEU A 767 33.781 -0.817 28.460 1.00 28.54 C ATOM 537 CD2 LEU A 767 33.301 -1.151 26.028 1.00 23.91 C ATOM 0 H LEU A 767 35.066 -4.422 26.695 1.00 18.68 H new ATOM 0 HA LEU A 767 35.480 -2.453 25.049 1.00 19.01 H new ATOM 0 HB2 LEU A 767 35.871 -2.382 27.816 1.00 20.47 H new ATOM 0 HB3 LEU A 767 35.948 -1.114 26.911 1.00 20.47 H new ATOM 0 HG LEU A 767 33.608 -2.574 27.442 1.00 25.81 H new ATOM 0 HD11 LEU A 767 32.830 -0.672 28.582 1.00 28.54 H new ATOM 0 HD12 LEU A 767 34.147 -1.242 29.251 1.00 28.54 H new ATOM 0 HD13 LEU A 767 34.222 0.035 28.318 1.00 28.54 H new ATOM 0 HD21 LEU A 767 32.364 -1.004 26.232 1.00 23.91 H new ATOM 0 HD22 LEU A 767 33.712 -0.310 25.773 1.00 23.91 H new ATOM 0 HD23 LEU A 767 33.377 -1.783 25.296 1.00 23.91 H new ATOM 538 N MET A 768 38.159 -3.772 26.143 1.00 22.53 N ATOM 539 CA MET A 768 39.592 -3.850 25.910 1.00 24.45 C ATOM 540 C MET A 768 40.015 -4.426 24.585 1.00 23.26 C ATOM 541 O MET A 768 41.223 -4.358 24.259 1.00 23.20 O ATOM 542 CB MET A 768 40.253 -4.642 27.042 1.00 28.09 C ATOM 543 CG MET A 768 40.113 -3.911 28.337 1.00 37.08 C ATOM 544 SD MET A 768 40.632 -2.166 28.288 1.00 57.93 S ATOM 545 CE MET A 768 42.344 -2.308 27.778 1.00 46.10 C ATOM 0 H MET A 768 37.848 -4.378 26.668 1.00 22.53 H new ATOM 0 HA MET A 768 39.890 -2.927 25.889 1.00 24.45 H new ATOM 0 HB2 MET A 768 39.845 -5.519 27.113 1.00 28.09 H new ATOM 0 HB3 MET A 768 41.192 -4.782 26.842 1.00 28.09 H new ATOM 0 HG2 MET A 768 39.186 -3.952 28.618 1.00 37.08 H new ATOM 0 HG3 MET A 768 40.635 -4.372 29.012 1.00 37.08 H new ATOM 0 HE1 MET A 768 42.755 -1.429 27.776 1.00 46.10 H new ATOM 0 HE2 MET A 768 42.819 -2.886 28.396 1.00 46.10 H new ATOM 0 HE3 MET A 768 42.386 -2.686 26.886 1.00 46.10 H new ATOM 546 N ARG A 769 39.075 -4.861 23.728 1.00 20.32 N ATOM 547 CA ARG A 769 39.491 -5.406 22.470 1.00 21.44 C ATOM 548 C ARG A 769 40.088 -4.338 21.624 1.00 23.30 C ATOM 549 O ARG A 769 39.525 -3.263 21.504 1.00 18.56 O ATOM 550 CB ARG A 769 38.353 -6.054 21.711 1.00 22.25 C ATOM 551 CG ARG A 769 37.821 -7.254 22.409 1.00 24.48 C ATOM 552 CD ARG A 769 36.699 -7.784 21.584 1.00 26.89 C ATOM 553 NE ARG A 769 35.955 -8.784 22.292 1.00 28.61 N ATOM 554 CZ ARG A 769 34.770 -9.263 21.927 1.00 30.04 C ATOM 555 NH1 ARG A 769 34.110 -8.785 20.856 1.00 32.05 N ATOM 556 NH2 ARG A 769 34.240 -10.207 22.658 1.00 30.12 N ATOM 0 H ARG A 769 38.226 -4.843 23.866 1.00 20.32 H new ATOM 0 HA ARG A 769 40.147 -6.093 22.667 1.00 21.44 H new ATOM 0 HB2 ARG A 769 37.639 -5.409 21.591 1.00 22.25 H new ATOM 0 HB3 ARG A 769 38.659 -6.306 20.826 1.00 22.25 H new ATOM 0 HG2 ARG A 769 38.514 -7.924 22.514 1.00 24.48 H new ATOM 0 HG3 ARG A 769 37.512 -7.023 23.299 1.00 24.48 H new ATOM 0 HD2 ARG A 769 36.108 -7.057 21.333 1.00 26.89 H new ATOM 0 HD3 ARG A 769 37.050 -8.161 20.762 1.00 26.89 H new ATOM 0 HE ARG A 769 36.304 -9.100 23.012 1.00 28.61 H new ATOM 0 HH11 ARG A 769 34.454 -8.152 20.386 1.00 32.05 H new ATOM 0 HH12 ARG A 769 33.344 -9.113 20.641 1.00 32.05 H new ATOM 0 HH21 ARG A 769 34.657 -10.499 23.351 1.00 30.12 H new ATOM 0 HH22 ARG A 769 33.474 -10.536 22.446 1.00 30.12 H new ATOM 557 N GLN A 770 41.177 -4.672 20.960 1.00 20.67 N ATOM 558 CA GLN A 770 41.733 -3.833 19.927 1.00 21.96 C ATOM 559 C GLN A 770 40.785 -3.717 18.708 1.00 20.51 C ATOM 560 O GLN A 770 40.075 -4.675 18.298 1.00 20.73 O ATOM 561 CB GLN A 770 43.118 -4.325 19.487 1.00 23.54 C ATOM 562 CG GLN A 770 44.079 -4.288 20.658 1.00 26.52 C ATOM 563 CD GLN A 770 45.422 -4.850 20.315 1.00 31.98 C ATOM 564 OE1 GLN A 770 45.737 -5.115 19.157 1.00 40.36 O ATOM 565 NE2 GLN A 770 46.214 -5.070 21.333 1.00 37.57 N ATOM 0 H GLN A 770 41.616 -5.398 21.099 1.00 20.67 H new ATOM 0 HA GLN A 770 41.835 -2.948 20.310 1.00 21.96 H new ATOM 0 HB2 GLN A 770 43.053 -5.229 19.141 1.00 23.54 H new ATOM 0 HB3 GLN A 770 43.453 -3.769 18.767 1.00 23.54 H new ATOM 0 HG2 GLN A 770 44.182 -3.372 20.959 1.00 26.52 H new ATOM 0 HG3 GLN A 770 43.702 -4.789 21.398 1.00 26.52 H new ATOM 0 HE21 GLN A 770 45.957 -4.871 22.129 1.00 37.57 H new ATOM 0 HE22 GLN A 770 46.992 -5.414 21.206 1.00 37.57 H new ATOM 566 N MET A 771 40.823 -2.548 18.117 1.00 19.63 N ATOM 567 CA MET A 771 40.010 -2.287 16.912 1.00 22.50 C ATOM 568 C MET A 771 40.555 -2.961 15.599 1.00 22.59 C ATOM 569 O MET A 771 40.913 -2.305 14.643 1.00 20.64 O ATOM 570 CB MET A 771 39.796 -0.777 16.722 1.00 22.89 C ATOM 571 CG MET A 771 38.882 -0.231 17.767 1.00 29.32 C ATOM 572 SD MET A 771 37.121 -0.602 17.423 1.00 26.02 S ATOM 573 CE MET A 771 36.689 1.054 16.906 1.00 29.35 C ATOM 0 H MET A 771 41.303 -1.885 18.380 1.00 19.63 H new ATOM 0 HA MET A 771 39.154 -2.713 17.073 1.00 22.50 H new ATOM 0 HB2 MET A 771 40.650 -0.318 16.763 1.00 22.89 H new ATOM 0 HB3 MET A 771 39.425 -0.608 15.842 1.00 22.89 H new ATOM 0 HG2 MET A 771 39.125 -0.601 18.630 1.00 29.32 H new ATOM 0 HG3 MET A 771 39.001 0.730 17.827 1.00 29.32 H new ATOM 0 HE1 MET A 771 35.758 1.076 16.636 1.00 29.35 H new ATOM 0 HE2 MET A 771 36.827 1.670 17.643 1.00 29.35 H new ATOM 0 HE3 MET A 771 37.248 1.316 16.158 1.00 29.35 H new ATOM 574 N LEU A 772 40.598 -4.302 15.575 1.00 21.53 N ATOM 575 CA LEU A 772 40.897 -5.027 14.358 1.00 23.58 C ATOM 576 C LEU A 772 39.692 -4.912 13.432 1.00 22.92 C ATOM 577 O LEU A 772 38.630 -4.474 13.908 1.00 22.97 O ATOM 578 CB LEU A 772 41.137 -6.493 14.718 1.00 26.10 C ATOM 579 CG LEU A 772 42.362 -6.723 15.618 1.00 31.67 C ATOM 580 CD1 LEU A 772 42.460 -8.234 15.907 1.00 34.26 C ATOM 581 CD2 LEU A 772 43.605 -6.269 14.890 1.00 32.44 C ATOM 0 H LEU A 772 40.455 -4.801 16.261 1.00 21.53 H new ATOM 0 HA LEU A 772 41.684 -4.668 13.919 1.00 23.58 H new ATOM 0 HB2 LEU A 772 40.349 -6.840 15.165 1.00 26.10 H new ATOM 0 HB3 LEU A 772 41.247 -7.003 13.901 1.00 26.10 H new ATOM 0 HG LEU A 772 42.278 -6.224 16.446 1.00 31.67 H new ATOM 0 HD11 LEU A 772 43.227 -8.406 16.475 1.00 34.26 H new ATOM 0 HD12 LEU A 772 41.653 -8.531 16.356 1.00 34.26 H new ATOM 0 HD13 LEU A 772 42.561 -8.717 15.072 1.00 34.26 H new ATOM 0 HD21 LEU A 772 44.381 -6.412 15.454 1.00 32.44 H new ATOM 0 HD22 LEU A 772 43.704 -6.777 14.070 1.00 32.44 H new ATOM 0 HD23 LEU A 772 43.530 -5.325 14.678 1.00 32.44 H new ATOM 582 N PRO A 773 39.821 -5.274 12.136 1.00 27.09 N ATOM 583 CA PRO A 773 38.719 -5.170 11.155 1.00 24.57 C ATOM 584 C PRO A 773 37.316 -5.582 11.645 1.00 26.06 C ATOM 585 O PRO A 773 36.330 -4.877 11.387 1.00 24.47 O ATOM 586 CB PRO A 773 39.217 -6.078 10.010 1.00 25.66 C ATOM 587 CG PRO A 773 40.665 -5.851 10.013 1.00 26.97 C ATOM 588 CD PRO A 773 41.051 -5.738 11.462 1.00 26.92 C ATOM 0 HA PRO A 773 38.561 -4.243 10.915 1.00 24.57 H new ATOM 0 HB2 PRO A 773 38.999 -7.010 10.170 1.00 25.66 H new ATOM 0 HB3 PRO A 773 38.817 -5.836 9.160 1.00 25.66 H new ATOM 0 HG2 PRO A 773 41.134 -6.583 9.583 1.00 26.97 H new ATOM 0 HG3 PRO A 773 40.893 -5.043 9.527 1.00 26.97 H new ATOM 0 HD2 PRO A 773 41.348 -6.591 11.816 1.00 26.92 H new ATOM 0 HD3 PRO A 773 41.780 -5.110 11.586 1.00 26.92 H new ATOM 589 N GLU A 774 37.211 -6.723 12.318 1.00 23.06 N ATOM 590 CA AGLU A 774 35.943 -7.222 12.867 0.49 25.33 C ATOM 591 CA BGLU A 774 35.909 -7.161 12.797 0.51 25.56 C ATOM 592 C GLU A 774 35.288 -6.275 13.890 1.00 24.20 C ATOM 593 O GLU A 774 34.060 -6.017 13.833 1.00 19.76 O ATOM 594 CB AGLU A 774 36.145 -8.587 13.546 0.49 26.27 C ATOM 595 CB BGLU A 774 35.936 -8.631 13.216 0.51 26.88 C ATOM 596 CG AGLU A 774 34.870 -9.262 14.033 0.49 28.40 C ATOM 597 CG BGLU A 774 36.118 -9.506 11.999 0.51 29.25 C ATOM 598 CD AGLU A 774 35.083 -10.731 14.348 0.49 33.12 C ATOM 599 CD BGLU A 774 35.745 -10.955 12.216 0.51 32.94 C ATOM 600 OE1AGLU A 774 35.849 -11.395 13.630 0.49 36.08 O ATOM 601 OE1BGLU A 774 35.511 -11.397 13.364 0.51 36.40 O ATOM 602 OE2AGLU A 774 34.489 -11.203 15.325 0.49 38.22 O ATOM 603 OE2BGLU A 774 35.653 -11.626 11.184 0.51 36.22 O ATOM 0 H AGLU A 774 37.881 -7.240 12.473 0.49 23.06 H new ATOM 0 H BGLU A 774 37.867 -7.247 12.504 0.51 23.06 H new ATOM 0 HA AGLU A 774 35.349 -7.292 12.103 0.49 25.56 H new ATOM 0 HA BGLU A 774 35.317 -7.063 12.035 0.51 25.56 H new ATOM 0 HB2AGLU A 774 36.590 -9.181 12.921 0.49 26.88 H new ATOM 0 HB2BGLU A 774 36.658 -8.783 13.845 0.51 26.88 H new ATOM 0 HB3AGLU A 774 36.742 -8.471 14.302 0.49 26.88 H new ATOM 0 HB3BGLU A 774 35.111 -8.862 13.670 0.51 26.88 H new ATOM 0 HG2AGLU A 774 34.548 -8.806 14.826 0.49 29.25 H new ATOM 0 HG2BGLU A 774 35.582 -9.150 11.274 0.51 29.25 H new ATOM 0 HG3AGLU A 774 34.181 -9.175 13.356 0.49 29.25 H new ATOM 0 HG3BGLU A 774 37.045 -9.460 11.716 0.51 29.25 H new ATOM 604 N GLU A 775 36.112 -5.773 14.827 1.00 21.49 N ATOM 605 CA AGLU A 775 35.601 -4.877 15.859 0.55 21.17 C ATOM 606 CA BGLU A 775 35.627 -4.867 15.872 0.45 20.25 C ATOM 607 C GLU A 775 35.284 -3.488 15.270 1.00 20.30 C ATOM 608 O GLU A 775 34.318 -2.840 15.675 1.00 19.15 O ATOM 609 CB AGLU A 775 36.596 -4.720 16.990 0.55 25.11 C ATOM 610 CB BGLU A 775 36.665 -4.679 16.976 0.45 22.19 C ATOM 611 CG AGLU A 775 37.042 -6.013 17.657 0.55 29.15 C ATOM 612 CG BGLU A 775 36.633 -5.737 18.072 0.45 23.08 C ATOM 613 CD AGLU A 775 35.895 -6.933 18.039 0.55 30.21 C ATOM 614 CD BGLU A 775 37.169 -7.095 17.591 0.45 25.27 C ATOM 615 OE1AGLU A 775 35.022 -6.479 18.783 0.55 32.43 O ATOM 616 OE1BGLU A 775 37.994 -7.139 16.631 0.45 25.59 O ATOM 617 OE2AGLU A 775 35.879 -8.098 17.590 0.55 32.04 O ATOM 618 OE2BGLU A 775 36.700 -8.112 18.150 0.45 24.55 O ATOM 0 H AGLU A 775 36.954 -5.940 14.876 0.55 21.49 H new ATOM 0 H BGLU A 775 36.953 -5.948 14.870 0.45 21.49 H new ATOM 0 HA AGLU A 775 34.787 -5.274 16.207 0.55 20.25 H new ATOM 0 HA BGLU A 775 34.832 -5.269 16.255 0.45 20.25 H new ATOM 0 HB2AGLU A 775 37.381 -4.264 16.648 0.55 22.19 H new ATOM 0 HB2BGLU A 775 37.548 -4.674 16.575 0.45 22.19 H new ATOM 0 HB3AGLU A 775 36.205 -4.144 17.666 0.55 22.19 H new ATOM 0 HB3BGLU A 775 36.533 -3.808 17.381 0.45 22.19 H new ATOM 0 HG2AGLU A 775 37.640 -6.487 17.058 0.55 23.08 H new ATOM 0 HG2BGLU A 775 37.161 -5.433 18.827 0.45 23.08 H new ATOM 0 HG3AGLU A 775 37.552 -5.797 18.454 0.55 23.08 H new ATOM 0 HG3BGLU A 775 35.722 -5.845 18.387 0.45 23.08 H new ATOM 619 N GLN A 776 36.088 -3.047 14.353 1.00 18.48 N ATOM 620 CA GLN A 776 35.852 -1.796 13.595 1.00 19.91 C ATOM 621 C GLN A 776 34.489 -1.872 12.928 1.00 18.46 C ATOM 622 O GLN A 776 33.709 -0.904 13.023 1.00 16.66 O ATOM 623 CB GLN A 776 36.991 -1.538 12.596 1.00 20.70 C ATOM 624 CG GLN A 776 36.854 -0.359 11.644 1.00 22.92 C ATOM 625 CD GLN A 776 37.186 0.996 12.224 1.00 21.58 C ATOM 626 OE1 GLN A 776 37.991 1.140 13.182 1.00 21.80 O ATOM 627 NE2 GLN A 776 36.569 2.027 11.669 1.00 22.56 N ATOM 0 H GLN A 776 36.811 -3.455 14.127 1.00 18.48 H new ATOM 0 HA GLN A 776 35.849 -1.037 14.199 1.00 19.91 H new ATOM 0 HB2 GLN A 776 37.809 -1.417 13.103 1.00 20.70 H new ATOM 0 HB3 GLN A 776 37.105 -2.340 12.062 1.00 20.70 H new ATOM 0 HG2 GLN A 776 37.429 -0.514 10.879 1.00 22.92 H new ATOM 0 HG3 GLN A 776 35.942 -0.336 11.313 1.00 22.92 H new ATOM 0 HE21 GLN A 776 36.024 1.901 11.016 1.00 22.56 H new ATOM 0 HE22 GLN A 776 36.713 2.823 11.962 1.00 22.56 H new ATOM 628 N LEU A 777 34.230 -2.971 12.221 1.00 18.12 N ATOM 629 CA LEU A 777 32.911 -3.202 11.628 1.00 21.19 C ATOM 630 C LEU A 777 31.754 -3.190 12.613 1.00 20.48 C ATOM 631 O LEU A 777 30.697 -2.578 12.351 1.00 17.44 O ATOM 632 CB LEU A 777 32.899 -4.508 10.830 1.00 24.25 C ATOM 633 CG LEU A 777 31.714 -4.628 9.876 1.00 29.20 C ATOM 634 CD1 LEU A 777 31.895 -3.730 8.641 1.00 31.05 C ATOM 635 CD2 LEU A 777 31.492 -6.114 9.571 1.00 31.67 C ATOM 0 H LEU A 777 34.803 -3.595 12.073 1.00 18.12 H new ATOM 0 HA LEU A 777 32.766 -2.443 11.041 1.00 21.19 H new ATOM 0 HB2 LEU A 777 33.722 -4.576 10.322 1.00 24.25 H new ATOM 0 HB3 LEU A 777 32.885 -5.256 11.448 1.00 24.25 H new ATOM 0 HG LEU A 777 30.900 -4.295 10.285 1.00 29.20 H new ATOM 0 HD11 LEU A 777 31.128 -3.827 8.055 1.00 31.05 H new ATOM 0 HD12 LEU A 777 31.971 -2.805 8.922 1.00 31.05 H new ATOM 0 HD13 LEU A 777 32.700 -3.991 8.166 1.00 31.05 H new ATOM 0 HD21 LEU A 777 30.741 -6.211 8.965 1.00 31.67 H new ATOM 0 HD22 LEU A 777 32.289 -6.483 9.160 1.00 31.67 H new ATOM 0 HD23 LEU A 777 31.305 -6.589 10.396 1.00 31.67 H new ATOM 636 N LYS A 778 31.896 -3.906 13.749 1.00 18.46 N ATOM 637 CA ALYS A 778 30.855 -3.928 14.769 0.17 18.12 C ATOM 638 CA BLYS A 778 30.849 -3.934 14.745 0.83 19.87 C ATOM 639 C LYS A 778 30.553 -2.530 15.311 1.00 16.97 C ATOM 640 O LYS A 778 29.387 -2.219 15.570 1.00 16.03 O ATOM 641 CB ALYS A 778 31.214 -4.886 15.909 0.17 18.28 C ATOM 642 CB BLYS A 778 31.156 -4.968 15.830 0.83 21.22 C ATOM 643 CG ALYS A 778 31.047 -6.349 15.537 0.17 18.56 C ATOM 644 CG BLYS A 778 31.026 -6.412 15.336 0.83 23.44 C ATOM 645 CD ALYS A 778 31.331 -7.271 16.720 0.17 19.11 C ATOM 646 CD BLYS A 778 31.477 -7.416 16.435 0.83 30.50 C ATOM 647 CE ALYS A 778 30.904 -8.691 16.393 0.17 19.70 C ATOM 648 CE BLYS A 778 31.150 -8.860 16.037 0.83 37.11 C ATOM 649 NZ ALYS A 778 31.538 -9.218 15.148 0.17 19.67 N ATOM 650 NZ BLYS A 778 30.956 -9.768 17.219 0.83 41.72 N ATOM 0 H ALYS A 778 32.589 -4.380 13.936 0.17 18.46 H new ATOM 0 H BLYS A 778 32.591 -4.373 13.944 0.83 18.46 H new ATOM 0 HA ALYS A 778 30.048 -4.254 14.341 0.17 19.87 H new ATOM 0 HA BLYS A 778 30.029 -4.218 14.312 0.83 19.87 H new ATOM 0 HB2ALYS A 778 32.133 -4.730 16.178 0.17 21.22 H new ATOM 0 HB2BLYS A 778 32.057 -4.825 16.161 0.83 21.22 H new ATOM 0 HB3ALYS A 778 30.656 -4.688 16.678 0.17 21.22 H new ATOM 0 HB3BLYS A 778 30.554 -4.832 16.578 0.83 21.22 H new ATOM 0 HG2ALYS A 778 30.143 -6.501 15.218 0.17 23.44 H new ATOM 0 HG2BLYS A 778 30.106 -6.591 15.087 0.83 23.44 H new ATOM 0 HG3ALYS A 778 31.646 -6.567 14.806 0.17 23.44 H new ATOM 0 HG3BLYS A 778 31.565 -6.535 14.539 0.83 23.44 H new ATOM 0 HD2ALYS A 778 32.277 -7.252 16.934 0.17 30.50 H new ATOM 0 HD2BLYS A 778 32.431 -7.328 16.585 0.83 30.50 H new ATOM 0 HD3ALYS A 778 30.856 -6.956 17.505 0.17 30.50 H new ATOM 0 HD3BLYS A 778 31.037 -7.201 17.272 0.83 30.50 H new ATOM 0 HE2ALYS A 778 31.131 -9.271 17.136 0.17 37.11 H new ATOM 0 HE2BLYS A 778 30.345 -8.866 15.496 0.83 37.11 H new ATOM 0 HE3ALYS A 778 29.939 -8.719 16.296 0.17 37.11 H new ATOM 0 HE3BLYS A 778 31.867 -9.207 15.483 0.83 37.11 H new ATOM 0 HZ1ALYS A 778 31.855 -10.036 15.299 0.17 41.72 H new ATOM 0 HZ1BLYS A 778 30.616 -10.544 16.945 0.83 41.72 H new ATOM 0 HZ2ALYS A 778 30.932 -9.251 14.497 0.17 41.72 H new ATOM 0 HZ2BLYS A 778 31.740 -9.912 17.615 0.83 41.72 H new ATOM 0 HZ3ALYS A 778 32.205 -8.682 14.904 0.17 41.72 H new ATOM 0 HZ3BLYS A 778 30.397 -9.387 17.798 0.83 41.72 H new ATOM 651 N CYS A 779 31.586 -1.709 15.476 1.00 15.91 N ATOM 652 CA CYS A 779 31.371 -0.347 16.013 1.00 15.35 C ATOM 653 C CYS A 779 30.654 0.466 14.936 1.00 15.38 C ATOM 654 O CYS A 779 29.774 1.255 15.255 1.00 15.98 O ATOM 655 CB CYS A 779 32.643 0.353 16.409 1.00 15.76 C ATOM 656 SG CYS A 779 33.358 -0.402 17.904 1.00 18.90 S ATOM 0 H CYS A 779 32.403 -1.905 15.291 1.00 15.91 H new ATOM 0 HA CYS A 779 30.845 -0.424 16.824 1.00 15.35 H new ATOM 0 HB2 CYS A 779 33.282 0.307 15.681 1.00 15.76 H new ATOM 0 HB3 CYS A 779 32.463 1.292 16.570 1.00 15.76 H new ATOM 0 HG CYS A 779 33.043 0.241 18.867 1.00 18.90 H new ATOM 657 N GLU A 780 31.075 0.323 13.694 1.00 16.83 N ATOM 658 CA GLU A 780 30.375 1.001 12.549 1.00 17.33 C ATOM 659 C GLU A 780 28.893 0.668 12.514 1.00 16.21 C ATOM 660 O GLU A 780 28.052 1.534 12.339 1.00 16.22 O ATOM 661 CB GLU A 780 31.115 0.725 11.206 1.00 17.86 C ATOM 662 CG GLU A 780 32.477 1.368 11.095 1.00 19.10 C ATOM 663 CD GLU A 780 33.419 0.794 9.977 1.00 20.28 C ATOM 664 OE1 GLU A 780 33.042 -0.283 9.370 1.00 24.58 O ATOM 665 OE2 GLU A 780 34.498 1.442 9.674 1.00 22.86 O ATOM 0 H GLU A 780 31.755 -0.152 13.467 1.00 16.83 H new ATOM 0 HA GLU A 780 30.414 1.960 12.689 1.00 17.33 H new ATOM 0 HB2 GLU A 780 31.213 -0.234 11.095 1.00 17.86 H new ATOM 0 HB3 GLU A 780 30.561 1.040 10.475 1.00 17.86 H new ATOM 0 HG2 GLU A 780 32.355 2.317 10.935 1.00 19.10 H new ATOM 0 HG3 GLU A 780 32.927 1.280 11.950 1.00 19.10 H new ATOM 666 N PHE A 781 28.541 -0.598 12.645 1.00 15.68 N ATOM 667 CA PHE A 781 27.180 -1.034 12.674 1.00 16.25 C ATOM 668 C PHE A 781 26.393 -0.519 13.899 1.00 15.45 C ATOM 669 O PHE A 781 25.242 -0.081 13.783 1.00 16.08 O ATOM 670 CB PHE A 781 27.168 -2.590 12.721 1.00 16.45 C ATOM 671 CG PHE A 781 25.815 -3.219 12.567 1.00 18.59 C ATOM 672 CD1 PHE A 781 25.014 -2.894 11.464 1.00 18.69 C ATOM 673 CD2 PHE A 781 25.394 -4.188 13.384 1.00 19.59 C ATOM 674 CE1 PHE A 781 23.805 -3.514 11.287 1.00 20.04 C ATOM 675 CE2 PHE A 781 24.205 -4.835 13.212 1.00 21.61 C ATOM 676 CZ PHE A 781 23.393 -4.488 12.165 1.00 22.59 C ATOM 0 H PHE A 781 29.110 -1.238 12.721 1.00 15.68 H new ATOM 0 HA PHE A 781 26.750 -0.677 11.881 1.00 16.25 H new ATOM 0 HB2 PHE A 781 27.747 -2.926 12.019 1.00 16.45 H new ATOM 0 HB3 PHE A 781 27.549 -2.877 13.565 1.00 16.45 H new ATOM 0 HD1 PHE A 781 25.303 -2.257 10.851 1.00 18.69 H new ATOM 0 HD2 PHE A 781 25.934 -4.432 14.101 1.00 19.59 H new ATOM 0 HE1 PHE A 781 23.262 -3.275 10.571 1.00 20.04 H new ATOM 0 HE2 PHE A 781 23.948 -5.507 13.801 1.00 21.61 H new ATOM 0 HZ PHE A 781 22.571 -4.907 12.049 1.00 22.59 H new ATOM 677 N LEU A 782 27.036 -0.498 15.069 1.00 16.00 N ATOM 678 CA LEU A 782 26.399 0.014 16.264 1.00 14.43 C ATOM 679 C LEU A 782 26.087 1.519 16.080 1.00 14.72 C ATOM 680 O LEU A 782 24.941 1.987 16.434 1.00 15.03 O ATOM 681 CB LEU A 782 27.294 -0.244 17.472 1.00 15.75 C ATOM 682 CG LEU A 782 26.932 0.336 18.794 1.00 15.72 C ATOM 683 CD1 LEU A 782 25.506 0.084 19.135 1.00 17.41 C ATOM 684 CD2 LEU A 782 27.804 -0.239 19.927 1.00 16.19 C ATOM 0 H LEU A 782 27.841 -0.777 15.183 1.00 16.00 H new ATOM 0 HA LEU A 782 25.558 -0.444 16.419 1.00 14.43 H new ATOM 0 HB2 LEU A 782 27.359 -1.205 17.585 1.00 15.75 H new ATOM 0 HB3 LEU A 782 28.182 0.076 17.248 1.00 15.75 H new ATOM 0 HG LEU A 782 27.085 1.291 18.716 1.00 15.72 H new ATOM 0 HD11 LEU A 782 25.306 0.475 20.000 1.00 17.41 H new ATOM 0 HD12 LEU A 782 24.936 0.485 18.460 1.00 17.41 H new ATOM 0 HD13 LEU A 782 25.345 -0.872 19.167 1.00 17.41 H new ATOM 0 HD21 LEU A 782 27.542 0.160 20.772 1.00 16.19 H new ATOM 0 HD22 LEU A 782 27.683 -1.200 19.972 1.00 16.19 H new ATOM 0 HD23 LEU A 782 28.737 -0.039 19.751 1.00 16.19 H new ATOM 685 N LEU A 783 27.055 2.269 15.510 1.00 15.24 N ATOM 686 CA LEU A 783 26.849 3.717 15.152 1.00 15.10 C ATOM 687 C LEU A 783 25.679 3.864 14.170 1.00 14.69 C ATOM 688 O LEU A 783 24.753 4.649 14.407 1.00 14.65 O ATOM 689 CB LEU A 783 28.105 4.334 14.636 1.00 15.68 C ATOM 690 CG LEU A 783 28.025 5.822 14.330 1.00 15.97 C ATOM 691 CD1 LEU A 783 27.553 6.625 15.548 1.00 16.44 C ATOM 692 CD2 LEU A 783 29.347 6.330 13.809 1.00 18.58 C ATOM 0 H LEU A 783 27.838 1.969 15.319 1.00 15.24 H new ATOM 0 HA LEU A 783 26.616 4.204 15.958 1.00 15.10 H new ATOM 0 HB2 LEU A 783 28.809 4.191 15.288 1.00 15.68 H new ATOM 0 HB3 LEU A 783 28.368 3.867 13.828 1.00 15.68 H new ATOM 0 HG LEU A 783 27.361 5.948 13.634 1.00 15.97 H new ATOM 0 HD11 LEU A 783 27.513 7.567 15.319 1.00 16.44 H new ATOM 0 HD12 LEU A 783 26.672 6.320 15.815 1.00 16.44 H new ATOM 0 HD13 LEU A 783 28.175 6.497 16.281 1.00 16.44 H new ATOM 0 HD21 LEU A 783 29.277 7.279 13.620 1.00 18.58 H new ATOM 0 HD22 LEU A 783 30.036 6.184 14.476 1.00 18.58 H new ATOM 0 HD23 LEU A 783 29.579 5.855 12.996 1.00 18.58 H new ATOM 693 N LEU A 784 25.632 2.995 13.181 1.00 14.72 N ATOM 694 CA LEU A 784 24.545 2.997 12.212 1.00 16.07 C ATOM 695 C LEU A 784 23.201 2.737 12.831 1.00 15.82 C ATOM 696 O LEU A 784 22.198 3.478 12.551 1.00 18.43 O ATOM 697 CB LEU A 784 24.798 2.066 11.021 1.00 16.47 C ATOM 698 CG LEU A 784 23.680 1.984 9.983 1.00 18.24 C ATOM 699 CD1 LEU A 784 24.248 2.015 8.570 1.00 20.46 C ATOM 700 CD2 LEU A 784 22.778 0.756 10.137 1.00 20.65 C ATOM 0 H LEU A 784 26.225 2.387 13.048 1.00 14.72 H new ATOM 0 HA LEU A 784 24.525 3.902 11.864 1.00 16.07 H new ATOM 0 HB2 LEU A 784 25.609 2.355 10.574 1.00 16.47 H new ATOM 0 HB3 LEU A 784 24.965 1.173 11.361 1.00 16.47 H new ATOM 0 HG LEU A 784 23.127 2.765 10.141 1.00 18.24 H new ATOM 0 HD11 LEU A 784 23.523 1.962 7.928 1.00 20.46 H new ATOM 0 HD12 LEU A 784 24.738 2.841 8.436 1.00 20.46 H new ATOM 0 HD13 LEU A 784 24.846 1.261 8.445 1.00 20.46 H new ATOM 0 HD21 LEU A 784 22.094 0.768 9.449 1.00 20.65 H new ATOM 0 HD22 LEU A 784 23.310 -0.050 10.049 1.00 20.65 H new ATOM 0 HD23 LEU A 784 22.357 0.771 11.011 1.00 20.65 H new ATOM 701 N LYS A 785 23.116 1.814 13.785 1.00 15.44 N ATOM 702 CA LYS A 785 21.891 1.529 14.474 1.00 15.04 C ATOM 703 C LYS A 785 21.334 2.724 15.277 1.00 17.19 C ATOM 704 O LYS A 785 20.125 2.895 15.348 1.00 17.36 O ATOM 705 CB LYS A 785 22.061 0.294 15.393 1.00 18.46 C ATOM 706 CG LYS A 785 22.122 -1.018 14.582 1.00 21.96 C ATOM 707 CD LYS A 785 20.727 -1.357 13.984 1.00 28.17 C ATOM 708 CE LYS A 785 20.720 -2.814 13.615 1.00 37.58 C ATOM 709 NZ LYS A 785 19.380 -3.439 13.580 1.00 41.44 N ATOM 0 H LYS A 785 23.783 1.337 14.045 1.00 15.44 H new ATOM 0 HA LYS A 785 21.235 1.338 13.785 1.00 15.04 H new ATOM 0 HB2 LYS A 785 22.872 0.389 15.916 1.00 18.46 H new ATOM 0 HB3 LYS A 785 21.322 0.253 16.020 1.00 18.46 H new ATOM 0 HG2 LYS A 785 22.773 -0.933 13.868 1.00 21.96 H new ATOM 0 HG3 LYS A 785 22.420 -1.743 15.153 1.00 21.96 H new ATOM 0 HD2 LYS A 785 20.027 -1.167 14.628 1.00 28.17 H new ATOM 0 HD3 LYS A 785 20.551 -0.809 13.203 1.00 28.17 H new ATOM 0 HE2 LYS A 785 21.133 -2.916 12.743 1.00 37.58 H new ATOM 0 HE3 LYS A 785 21.272 -3.298 14.249 1.00 37.58 H new ATOM 0 HZ1 LYS A 785 19.458 -4.297 13.355 1.00 41.44 H new ATOM 0 HZ2 LYS A 785 19.002 -3.376 14.383 1.00 41.44 H new ATOM 0 HZ3 LYS A 785 18.873 -3.021 12.980 1.00 41.44 H new ATOM 710 N VAL A 786 22.227 3.538 15.812 1.00 15.63 N ATOM 711 CA VAL A 786 21.803 4.755 16.495 1.00 14.83 C ATOM 712 C VAL A 786 21.256 5.775 15.475 1.00 14.53 C ATOM 713 O VAL A 786 20.173 6.386 15.735 1.00 15.42 O ATOM 714 CB VAL A 786 22.933 5.406 17.337 1.00 16.24 C ATOM 715 CG1 VAL A 786 22.544 6.780 17.885 1.00 15.55 C ATOM 716 CG2 VAL A 786 23.327 4.424 18.449 1.00 16.27 C ATOM 0 H VAL A 786 23.077 3.410 15.793 1.00 15.63 H new ATOM 0 HA VAL A 786 21.103 4.495 17.114 1.00 14.83 H new ATOM 0 HB VAL A 786 23.699 5.576 16.767 1.00 16.24 H new ATOM 0 HG11 VAL A 786 23.280 7.143 18.402 1.00 15.55 H new ATOM 0 HG12 VAL A 786 22.341 7.377 17.148 1.00 15.55 H new ATOM 0 HG13 VAL A 786 21.763 6.693 18.454 1.00 15.55 H new ATOM 0 HG21 VAL A 786 24.034 4.812 18.988 1.00 16.27 H new ATOM 0 HG22 VAL A 786 22.556 4.243 19.009 1.00 16.27 H new ATOM 0 HG23 VAL A 786 23.641 3.596 18.053 1.00 16.27 H new ATOM 717 N TYR A 787 21.964 5.963 14.373 1.00 17.29 N ATOM 718 CA TYR A 787 21.438 6.864 13.277 1.00 16.26 C ATOM 719 C TYR A 787 20.086 6.352 12.732 1.00 17.82 C ATOM 720 O TYR A 787 19.291 7.170 12.257 1.00 18.77 O ATOM 721 CB TYR A 787 22.456 7.064 12.126 1.00 17.20 C ATOM 722 CG TYR A 787 23.608 8.002 12.324 1.00 17.40 C ATOM 723 CD1 TYR A 787 23.466 9.370 12.079 1.00 19.89 C ATOM 724 CD2 TYR A 787 24.867 7.557 12.667 1.00 15.38 C ATOM 725 CE1 TYR A 787 24.525 10.217 12.178 1.00 19.30 C ATOM 726 CE2 TYR A 787 25.904 8.404 12.800 1.00 15.26 C ATOM 727 CZ TYR A 787 25.752 9.751 12.563 1.00 18.40 C ATOM 728 OH TYR A 787 26.775 10.691 12.633 1.00 15.92 O ATOM 0 H TYR A 787 22.730 5.604 14.215 1.00 17.29 H new ATOM 0 HA TYR A 787 21.297 7.734 13.682 1.00 16.26 H new ATOM 0 HB2 TYR A 787 22.823 6.193 11.906 1.00 17.20 H new ATOM 0 HB3 TYR A 787 21.962 7.368 11.349 1.00 17.20 H new ATOM 0 HD1 TYR A 787 22.632 9.708 11.844 1.00 19.89 H new ATOM 0 HD2 TYR A 787 25.003 6.648 12.810 1.00 15.38 H new ATOM 0 HE1 TYR A 787 24.414 11.119 11.983 1.00 19.30 H new ATOM 0 HE2 TYR A 787 26.735 8.074 13.056 1.00 15.26 H new ATOM 0 HH TYR A 787 26.457 11.460 12.519 1.00 15.92 H new ATOM 729 N CYS A 788 19.796 5.061 12.773 1.00 16.45 N ATOM 730 CA CYS A 788 18.508 4.526 12.328 1.00 20.79 C ATOM 731 C CYS A 788 17.299 5.084 13.120 1.00 23.63 C ATOM 732 O CYS A 788 16.185 5.059 12.625 1.00 21.99 O ATOM 733 CB CYS A 788 18.405 3.008 12.349 1.00 18.99 C ATOM 734 SG CYS A 788 19.419 2.200 11.102 1.00 20.98 S ATOM 0 H CYS A 788 20.342 4.462 13.061 1.00 16.45 H new ATOM 0 HA CYS A 788 18.473 4.828 11.407 1.00 20.79 H new ATOM 0 HB2 CYS A 788 18.666 2.686 13.226 1.00 18.99 H new ATOM 0 HB3 CYS A 788 17.479 2.752 12.217 1.00 18.99 H new ATOM 0 HG CYS A 788 20.574 2.463 11.293 1.00 20.98 H new ATOM 735 N ASP A 789 17.515 5.528 14.345 1.00 21.26 N ATOM 736 CA ASP A 789 16.397 6.142 15.150 1.00 21.99 C ATOM 737 C ASP A 789 16.267 7.586 14.795 1.00 21.13 C ATOM 738 O ASP A 789 17.237 8.306 14.823 1.00 18.03 O ATOM 739 CB ASP A 789 16.699 6.040 16.647 1.00 24.15 C ATOM 740 CG ASP A 789 15.436 6.284 17.493 1.00 28.44 C ATOM 741 OD1 ASP A 789 15.026 7.470 17.669 1.00 24.52 O ATOM 742 OD2 ASP A 789 14.800 5.243 17.898 1.00 31.00 O ATOM 0 H ASP A 789 18.275 5.497 14.746 1.00 21.26 H new ATOM 0 HA ASP A 789 15.576 5.666 14.951 1.00 21.99 H new ATOM 0 HB2 ASP A 789 17.059 5.162 16.847 1.00 24.15 H new ATOM 0 HB3 ASP A 789 17.381 6.688 16.886 1.00 24.15 H new ATOM 743 N SER A 790 15.030 8.068 14.522 1.00 21.52 N ATOM 744 CA SER A 790 14.912 9.479 14.116 1.00 21.55 C ATOM 745 C SER A 790 15.380 10.487 15.166 1.00 20.04 C ATOM 746 O SER A 790 15.796 11.629 14.793 1.00 18.77 O ATOM 747 CB SER A 790 13.489 9.797 13.679 1.00 24.47 C ATOM 748 OG SER A 790 12.678 9.477 14.768 1.00 28.88 O ATOM 0 H SER A 790 14.295 7.623 14.564 1.00 21.52 H new ATOM 0 HA SER A 790 15.520 9.578 13.367 1.00 21.55 H new ATOM 0 HB2 SER A 790 13.399 10.733 13.441 1.00 24.47 H new ATOM 0 HB3 SER A 790 13.241 9.280 12.897 1.00 24.47 H new ATOM 0 HG SER A 790 12.230 8.789 14.591 1.00 28.88 H new ATOM 749 N LYS A 791 15.339 10.107 16.459 1.00 16.82 N ATOM 750 CA LYS A 791 15.785 10.963 17.519 1.00 18.93 C ATOM 751 C LYS A 791 17.292 11.221 17.543 1.00 19.93 C ATOM 752 O LYS A 791 17.762 12.116 18.234 1.00 17.01 O ATOM 753 CB LYS A 791 15.292 10.436 18.870 1.00 21.48 C ATOM 754 CG LYS A 791 13.795 10.438 19.044 1.00 25.70 C ATOM 755 CD LYS A 791 13.378 9.528 20.216 1.00 26.88 C ATOM 756 CE LYS A 791 11.892 9.501 20.492 1.00 27.82 C ATOM 757 NZ LYS A 791 11.431 10.719 21.231 1.00 28.09 N ATOM 0 H LYS A 791 15.048 9.342 16.723 1.00 16.82 H new ATOM 0 HA LYS A 791 15.389 11.830 17.341 1.00 18.93 H new ATOM 0 HB2 LYS A 791 15.617 9.530 18.987 1.00 21.48 H new ATOM 0 HB3 LYS A 791 15.687 10.972 19.575 1.00 21.48 H new ATOM 0 HG2 LYS A 791 13.485 11.343 19.206 1.00 25.70 H new ATOM 0 HG3 LYS A 791 13.370 10.135 18.227 1.00 25.70 H new ATOM 0 HD2 LYS A 791 13.677 8.624 20.031 1.00 26.88 H new ATOM 0 HD3 LYS A 791 13.839 9.821 21.018 1.00 26.88 H new ATOM 0 HE2 LYS A 791 11.410 9.432 19.653 1.00 27.82 H new ATOM 0 HE3 LYS A 791 11.675 8.710 21.009 1.00 27.82 H new ATOM 0 HZ1 LYS A 791 10.582 10.614 21.476 1.00 28.09 H new ATOM 0 HZ2 LYS A 791 11.936 10.836 21.955 1.00 28.09 H new ATOM 0 HZ3 LYS A 791 11.501 11.432 20.702 1.00 28.09 H new ATOM 758 N SER A 792 18.066 10.475 16.733 1.00 18.15 N ATOM 759 CA SER A 792 19.480 10.745 16.553 1.00 19.02 C ATOM 760 C SER A 792 19.773 12.121 15.950 1.00 19.16 C ATOM 761 O SER A 792 20.869 12.668 16.161 1.00 17.54 O ATOM 762 CB SER A 792 20.132 9.644 15.715 1.00 19.04 C ATOM 763 OG SER A 792 19.681 9.760 14.355 1.00 20.32 O ATOM 0 H SER A 792 17.775 9.804 16.280 1.00 18.15 H new ATOM 0 HA SER A 792 19.868 10.753 17.442 1.00 19.02 H new ATOM 0 HB2 SER A 792 21.098 9.721 15.755 1.00 19.04 H new ATOM 0 HB3 SER A 792 19.902 8.772 16.071 1.00 19.04 H new ATOM 0 HG SER A 792 18.938 9.377 14.272 1.00 20.32 H new ATOM 764 N CYS A 793 18.792 12.731 15.262 1.00 20.42 N ATOM 765 CA CYS A 793 18.970 14.085 14.766 1.00 19.92 C ATOM 766 C CYS A 793 19.441 15.086 15.792 1.00 19.03 C ATOM 767 O CYS A 793 20.295 15.944 15.543 1.00 20.24 O ATOM 768 CB CYS A 793 17.641 14.561 14.037 1.00 26.24 C ATOM 769 SG CYS A 793 16.322 14.908 15.203 1.00 26.32 S ATOM 0 H CYS A 793 18.031 12.375 15.080 1.00 20.42 H new ATOM 0 HA CYS A 793 19.701 14.050 14.130 1.00 19.92 H new ATOM 0 HB2 CYS A 793 17.827 15.357 13.514 1.00 26.24 H new ATOM 0 HB3 CYS A 793 17.350 13.875 13.416 1.00 26.24 H new ATOM 0 HG CYS A 793 15.717 13.898 15.436 1.00 26.32 H new ATOM 770 N PHE A 794 18.974 14.945 17.025 1.00 18.03 N ATOM 771 CA PHE A 794 19.385 15.844 18.087 1.00 18.73 C ATOM 772 C PHE A 794 20.880 15.788 18.495 1.00 22.15 C ATOM 773 O PHE A 794 21.414 16.728 19.039 1.00 21.13 O ATOM 774 CB PHE A 794 18.545 15.658 19.356 1.00 19.01 C ATOM 775 CG PHE A 794 17.100 15.969 19.182 1.00 17.77 C ATOM 776 CD1 PHE A 794 16.687 17.319 19.013 1.00 20.18 C ATOM 777 CD2 PHE A 794 16.130 14.977 19.213 1.00 19.67 C ATOM 778 CE1 PHE A 794 15.339 17.600 18.874 1.00 20.66 C ATOM 779 CE2 PHE A 794 14.757 15.262 19.030 1.00 22.79 C ATOM 780 CZ PHE A 794 14.377 16.610 18.908 1.00 20.60 C ATOM 0 H PHE A 794 18.418 14.334 17.266 1.00 18.03 H new ATOM 0 HA PHE A 794 19.236 16.714 17.685 1.00 18.73 H new ATOM 0 HB2 PHE A 794 18.634 14.741 19.659 1.00 19.01 H new ATOM 0 HB3 PHE A 794 18.905 16.224 20.056 1.00 19.01 H new ATOM 0 HD1 PHE A 794 17.315 18.005 18.996 1.00 20.18 H new ATOM 0 HD2 PHE A 794 16.391 14.096 19.359 1.00 19.67 H new ATOM 0 HE1 PHE A 794 15.073 18.483 18.754 1.00 20.66 H new ATOM 0 HE2 PHE A 794 14.126 14.580 18.992 1.00 22.79 H new ATOM 0 HZ PHE A 794 13.477 16.835 18.850 1.00 20.60 H new ATOM 781 N PHE A 795 21.491 14.627 18.255 1.00 19.40 N ATOM 782 CA PHE A 795 22.851 14.317 18.617 1.00 17.57 C ATOM 783 C PHE A 795 23.843 14.217 17.413 1.00 18.24 C ATOM 784 O PHE A 795 24.988 13.936 17.649 1.00 18.23 O ATOM 785 CB PHE A 795 22.824 12.960 19.414 1.00 15.47 C ATOM 786 CG PHE A 795 21.912 13.031 20.603 1.00 15.87 C ATOM 787 CD1 PHE A 795 22.258 13.740 21.702 1.00 16.98 C ATOM 788 CD2 PHE A 795 20.638 12.451 20.560 1.00 16.92 C ATOM 789 CE1 PHE A 795 21.374 13.844 22.764 1.00 16.78 C ATOM 790 CE2 PHE A 795 19.761 12.543 21.617 1.00 18.45 C ATOM 791 CZ PHE A 795 20.139 13.239 22.738 1.00 17.87 C ATOM 0 H PHE A 795 21.096 13.975 17.857 1.00 19.40 H new ATOM 0 HA PHE A 795 23.189 15.053 19.150 1.00 17.57 H new ATOM 0 HB2 PHE A 795 22.534 12.245 18.826 1.00 15.47 H new ATOM 0 HB3 PHE A 795 23.722 12.739 19.708 1.00 15.47 H new ATOM 0 HD1 PHE A 795 23.088 14.157 21.745 1.00 16.98 H new ATOM 0 HD2 PHE A 795 20.377 11.990 19.795 1.00 16.92 H new ATOM 0 HE1 PHE A 795 21.622 14.335 23.514 1.00 16.78 H new ATOM 0 HE2 PHE A 795 18.924 12.139 21.572 1.00 18.45 H new ATOM 0 HZ PHE A 795 19.568 13.301 23.470 1.00 17.87 H new ATOM 792 N ALA A 796 23.424 14.516 16.188 1.00 17.49 N ATOM 793 CA ALA A 796 24.232 14.325 15.022 1.00 18.54 C ATOM 794 C ALA A 796 25.288 15.375 14.826 1.00 18.91 C ATOM 795 O ALA A 796 26.457 15.038 14.585 1.00 18.19 O ATOM 796 CB ALA A 796 23.410 14.130 13.778 1.00 19.79 C ATOM 0 H ALA A 796 22.645 14.841 16.021 1.00 17.49 H new ATOM 0 HA ALA A 796 24.712 13.499 15.190 1.00 18.54 H new ATOM 0 HB1 ALA A 796 23.999 14.005 13.017 1.00 19.79 H new ATOM 0 HB2 ALA A 796 22.846 13.348 13.882 1.00 19.79 H new ATOM 0 HB3 ALA A 796 22.854 14.911 13.631 1.00 19.79 H new ATOM 797 N SER A 797 24.914 16.657 14.941 1.00 19.29 N ATOM 798 CA SER A 797 25.843 17.679 14.549 1.00 21.05 C ATOM 799 C SER A 797 26.296 18.350 15.802 1.00 21.07 C ATOM 800 O SER A 797 25.819 18.039 16.868 1.00 22.83 O ATOM 801 CB SER A 797 25.170 18.626 13.547 1.00 25.54 C ATOM 802 OG SER A 797 24.252 19.342 14.277 1.00 27.58 O ATOM 0 H SER A 797 24.154 16.932 15.234 1.00 19.29 H new ATOM 0 HA SER A 797 26.622 17.325 14.091 1.00 21.05 H new ATOM 0 HB2 SER A 797 25.820 19.214 13.131 1.00 25.54 H new ATOM 0 HB3 SER A 797 24.739 18.130 12.834 1.00 25.54 H new ATOM 0 HG SER A 797 24.539 20.121 14.401 1.00 27.58 H new ATOM 803 N GLU A 798 27.230 19.279 15.658 1.00 19.07 N ATOM 804 CA GLU A 798 27.946 19.883 16.764 1.00 19.70 C ATOM 805 C GLU A 798 27.032 20.773 17.541 1.00 21.22 C ATOM 806 O GLU A 798 26.447 21.710 16.960 1.00 22.91 O ATOM 807 CB GLU A 798 29.181 20.694 16.275 1.00 20.86 C ATOM 808 CG GLU A 798 30.010 21.347 17.361 1.00 24.11 C ATOM 809 CD GLU A 798 31.349 21.963 16.874 1.00 27.28 C ATOM 810 OE1 GLU A 798 31.651 22.061 15.645 1.00 33.21 O ATOM 811 OE2 GLU A 798 32.113 22.315 17.755 1.00 31.18 O ATOM 0 H GLU A 798 27.470 19.583 14.890 1.00 19.07 H new ATOM 0 HA GLU A 798 28.266 19.166 17.334 1.00 19.70 H new ATOM 0 HB2 GLU A 798 29.755 20.101 15.765 1.00 20.86 H new ATOM 0 HB3 GLU A 798 28.874 21.384 15.667 1.00 20.86 H new ATOM 0 HG2 GLU A 798 29.481 22.044 17.780 1.00 24.11 H new ATOM 0 HG3 GLU A 798 30.202 20.687 18.045 1.00 24.11 H new ATOM 812 N PRO A 799 26.908 20.530 18.834 1.00 20.67 N ATOM 813 CA PRO A 799 25.983 21.245 19.667 1.00 22.91 C ATOM 814 C PRO A 799 26.568 22.594 20.149 1.00 25.47 C ATOM 815 O PRO A 799 27.756 22.866 19.969 1.00 24.49 O ATOM 816 CB PRO A 799 25.837 20.306 20.877 1.00 23.97 C ATOM 817 CG PRO A 799 27.228 19.769 20.989 1.00 24.01 C ATOM 818 CD PRO A 799 27.615 19.471 19.603 1.00 22.44 C ATOM 0 HA PRO A 799 25.156 21.456 19.206 1.00 22.91 H new ATOM 0 HB2 PRO A 799 25.560 20.779 21.677 1.00 23.97 H new ATOM 0 HB3 PRO A 799 25.184 19.605 20.722 1.00 23.97 H new ATOM 0 HG2 PRO A 799 27.826 20.417 21.392 1.00 24.01 H new ATOM 0 HG3 PRO A 799 27.257 18.974 21.543 1.00 24.01 H new ATOM 0 HD2 PRO A 799 28.576 19.516 19.479 1.00 22.44 H new ATOM 0 HD3 PRO A 799 27.336 18.582 19.334 1.00 22.44 H new ATOM 819 N TYR A 800 25.699 23.462 20.670 1.00 25.91 N ATOM 820 CA TYR A 800 26.172 24.661 21.412 1.00 26.43 C ATOM 821 C TYR A 800 25.269 24.901 22.631 1.00 24.43 C ATOM 822 O TYR A 800 24.125 24.428 22.694 1.00 24.17 O ATOM 823 CB TYR A 800 26.215 25.865 20.485 1.00 28.96 C ATOM 824 CG TYR A 800 24.867 26.252 19.975 1.00 35.51 C ATOM 825 CD1 TYR A 800 24.450 25.855 18.708 1.00 39.20 C ATOM 826 CD2 TYR A 800 24.020 27.068 20.741 1.00 44.37 C ATOM 827 CE1 TYR A 800 23.214 26.266 18.194 1.00 47.24 C ATOM 828 CE2 TYR A 800 22.769 27.477 20.249 1.00 53.45 C ATOM 829 CZ TYR A 800 22.377 27.090 18.970 1.00 53.98 C ATOM 830 OH TYR A 800 21.145 27.497 18.479 1.00 65.30 O ATOM 0 H TYR A 800 24.844 23.387 20.613 1.00 25.91 H new ATOM 0 HA TYR A 800 27.075 24.515 21.736 1.00 26.43 H new ATOM 0 HB2 TYR A 800 26.606 26.617 20.957 1.00 28.96 H new ATOM 0 HB3 TYR A 800 26.796 25.669 19.734 1.00 28.96 H new ATOM 0 HD1 TYR A 800 25.001 25.309 18.195 1.00 39.20 H new ATOM 0 HD2 TYR A 800 24.291 27.342 21.587 1.00 44.37 H new ATOM 0 HE1 TYR A 800 22.948 25.996 17.345 1.00 47.24 H new ATOM 0 HE2 TYR A 800 22.208 28.002 20.773 1.00 53.45 H new ATOM 0 HH TYR A 800 20.761 27.979 19.050 1.00 65.30 H new ATOM 831 N TYR A 801 25.819 25.591 23.628 1.00 22.73 N ATOM 832 CA TYR A 801 25.307 25.586 24.941 1.00 21.77 C ATOM 833 C TYR A 801 25.196 27.025 25.529 1.00 25.18 C ATOM 834 O TYR A 801 26.201 27.604 26.032 1.00 21.40 O ATOM 835 CB TYR A 801 26.254 24.784 25.807 1.00 21.40 C ATOM 836 CG TYR A 801 26.326 23.319 25.357 1.00 20.09 C ATOM 837 CD1 TYR A 801 25.353 22.394 25.796 1.00 21.18 C ATOM 838 CD2 TYR A 801 27.368 22.868 24.577 1.00 20.97 C ATOM 839 CE1 TYR A 801 25.439 21.029 25.411 1.00 22.63 C ATOM 840 CE2 TYR A 801 27.456 21.516 24.161 1.00 21.65 C ATOM 841 CZ TYR A 801 26.511 20.597 24.612 1.00 21.82 C ATOM 842 OH TYR A 801 26.550 19.267 24.231 1.00 20.74 O ATOM 0 H TYR A 801 26.519 26.081 23.532 1.00 22.73 H new ATOM 0 HA TYR A 801 24.417 25.201 24.924 1.00 21.77 H new ATOM 0 HB2 TYR A 801 27.139 25.178 25.771 1.00 21.40 H new ATOM 0 HB3 TYR A 801 25.962 24.826 26.731 1.00 21.40 H new ATOM 0 HD1 TYR A 801 24.654 22.679 26.339 1.00 21.18 H new ATOM 0 HD2 TYR A 801 28.031 23.466 24.317 1.00 20.97 H new ATOM 0 HE1 TYR A 801 24.789 20.424 25.687 1.00 22.63 H new ATOM 0 HE2 TYR A 801 28.139 21.244 23.591 1.00 21.65 H new ATOM 0 HH TYR A 801 25.969 18.836 24.658 1.00 20.74 H new ATOM 843 N ASN A 802 23.962 27.519 25.520 1.00 26.28 N ATOM 844 CA ASN A 802 23.657 28.807 26.113 1.00 26.49 C ATOM 845 C ASN A 802 22.257 28.814 26.724 1.00 23.11 C ATOM 846 O ASN A 802 21.297 29.180 26.093 1.00 24.73 O ATOM 847 CB ASN A 802 23.837 29.950 25.123 1.00 23.30 C ATOM 848 CG ASN A 802 23.916 31.315 25.843 1.00 25.32 C ATOM 849 OD1 ASN A 802 23.839 31.393 27.071 1.00 22.75 O ATOM 850 ND2 ASN A 802 24.137 32.383 25.069 1.00 25.71 N ATOM 0 H ASN A 802 23.286 27.118 25.172 1.00 26.28 H new ATOM 0 HA ASN A 802 24.296 28.951 26.829 1.00 26.49 H new ATOM 0 HB2 ASN A 802 24.646 29.808 24.606 1.00 23.30 H new ATOM 0 HB3 ASN A 802 23.097 29.956 24.496 1.00 23.30 H new ATOM 0 HD21 ASN A 802 24.231 33.160 25.425 1.00 25.71 H new ATOM 0 HD22 ASN A 802 24.185 32.293 24.215 1.00 25.71 H new ATOM 851 N ARG A 803 22.208 28.394 27.957 1.00 23.33 N ATOM 852 CA AARG A 803 20.967 28.162 28.691 0.43 27.22 C ATOM 853 CA BARG A 803 20.974 28.153 28.688 0.57 26.13 C ATOM 854 C ARG A 803 21.173 28.746 30.066 1.00 27.58 C ATOM 855 O ARG A 803 22.185 28.480 30.699 1.00 27.00 O ATOM 856 CB AARG A 803 20.658 26.667 28.815 0.43 30.67 C ATOM 857 CB BARG A 803 20.699 26.655 28.826 0.57 28.74 C ATOM 858 CG AARG A 803 19.691 26.270 29.930 0.43 32.12 C ATOM 859 CG BARG A 803 19.383 26.312 29.514 0.57 28.15 C ATOM 860 CD AARG A 803 19.322 24.793 29.850 0.43 35.17 C ATOM 861 CD BARG A 803 19.304 24.863 29.983 0.57 32.00 C ATOM 862 NE AARG A 803 18.102 24.617 29.090 0.43 37.60 N ATOM 863 NE BARG A 803 17.936 24.615 30.399 0.57 30.90 N ATOM 864 CZ AARG A 803 16.906 24.444 29.637 0.43 34.14 C ATOM 865 CZ BARG A 803 17.491 24.146 31.556 0.57 38.18 C ATOM 866 NH1AARG A 803 16.763 24.405 30.949 0.43 36.47 N ATOM 867 NH1BARG A 803 18.294 23.750 32.531 0.57 40.12 N ATOM 868 NH2AARG A 803 15.868 24.326 28.854 0.43 29.67 N ATOM 869 NH2BARG A 803 16.179 24.021 31.710 0.57 40.82 N ATOM 0 H AARG A 803 22.913 28.226 28.419 0.43 23.33 H new ATOM 0 H BARG A 803 22.914 28.231 28.420 0.57 23.33 H new ATOM 0 HA AARG A 803 20.221 28.571 28.225 0.43 26.13 H new ATOM 0 HA BARG A 803 20.222 28.549 28.220 0.57 26.13 H new ATOM 0 HB2AARG A 803 20.293 26.360 27.971 0.43 28.74 H new ATOM 0 HB2BARG A 803 20.702 26.255 27.942 0.57 28.74 H new ATOM 0 HB3AARG A 803 21.493 26.193 28.952 0.43 28.74 H new ATOM 0 HB3BARG A 803 21.426 26.249 29.324 0.57 28.74 H new ATOM 0 HG2AARG A 803 20.095 26.458 30.792 0.43 28.15 H new ATOM 0 HG2BARG A 803 19.262 26.899 30.277 0.57 28.15 H new ATOM 0 HG3AARG A 803 18.887 26.809 29.870 0.43 28.15 H new ATOM 0 HG3BARG A 803 18.651 26.487 28.902 0.57 28.15 H new ATOM 0 HD2AARG A 803 20.043 24.296 29.434 0.43 32.00 H new ATOM 0 HD2BARG A 803 19.559 24.258 29.268 0.57 32.00 H new ATOM 0 HD3AARG A 803 19.208 24.433 30.744 0.43 32.00 H new ATOM 0 HD3BARG A 803 19.918 24.708 30.718 0.57 32.00 H new ATOM 0 HE AARG A 803 18.156 24.625 28.232 0.43 30.90 H new ATOM 0 HE BARG A 803 17.332 24.797 29.815 0.57 30.90 H new ATOM 0 HH11AARG A 803 17.450 24.492 31.459 0.43 40.12 H new ATOM 0 HH11BARG A 803 19.147 23.791 32.429 0.57 40.12 H new ATOM 0 HH12AARG A 803 15.983 24.292 31.293 0.43 40.12 H new ATOM 0 HH12BARG A 803 17.963 23.452 33.267 0.57 40.12 H new ATOM 0 HH21AARG A 803 15.967 24.361 28.000 0.43 40.82 H new ATOM 0 HH21BARG A 803 15.648 24.241 31.070 0.57 40.82 H new ATOM 0 HH22AARG A 803 15.085 24.213 29.192 0.43 40.82 H new ATOM 0 HH22BARG A 803 15.860 23.720 32.449 0.57 40.82 H new ATOM 870 N GLU A 804 20.223 29.561 30.512 1.00 30.21 N ATOM 871 CA GLU A 804 20.310 30.151 31.871 1.00 32.63 C ATOM 872 C GLU A 804 20.336 29.022 32.900 1.00 31.33 C ATOM 873 O GLU A 804 19.585 28.060 32.788 1.00 29.18 O ATOM 874 CB GLU A 804 19.100 31.051 32.129 1.00 40.08 C ATOM 875 CG GLU A 804 19.176 31.807 33.454 1.00 52.68 C ATOM 876 CD GLU A 804 17.917 32.658 33.699 1.00 64.93 C ATOM 877 OE1 GLU A 804 17.359 33.238 32.720 1.00 66.53 O ATOM 878 OE2 GLU A 804 17.475 32.729 34.877 1.00 70.73 O ATOM 0 H GLU A 804 19.527 29.789 30.062 1.00 30.21 H new ATOM 0 HA GLU A 804 21.118 30.683 31.942 1.00 32.63 H new ATOM 0 HB2 GLU A 804 19.021 31.690 31.404 1.00 40.08 H new ATOM 0 HB3 GLU A 804 18.295 30.510 32.119 1.00 40.08 H new ATOM 0 HG2 GLU A 804 19.286 31.175 34.181 1.00 52.68 H new ATOM 0 HG3 GLU A 804 19.959 32.380 33.455 1.00 52.68 H new ATOM 879 N GLY A 805 21.254 29.114 33.843 1.00 31.14 N ATOM 880 CA GLY A 805 21.387 28.121 34.900 1.00 33.45 C ATOM 881 C GLY A 805 22.218 26.901 34.572 1.00 34.90 C ATOM 882 O GLY A 805 22.410 26.067 35.451 1.00 36.98 O ATOM 0 H GLY A 805 21.823 29.757 33.892 1.00 31.14 H new ATOM 0 HA2 GLY A 805 21.774 28.553 35.677 1.00 33.45 H new ATOM 0 HA3 GLY A 805 20.499 27.825 35.153 1.00 33.45 H new ATOM 883 N SER A 806 22.765 26.802 33.348 1.00 32.78 N ATOM 884 CA SER A 806 23.607 25.669 32.980 1.00 30.22 C ATOM 885 C SER A 806 24.900 26.136 32.333 1.00 31.73 C ATOM 886 O SER A 806 24.964 27.203 31.728 1.00 29.46 O ATOM 887 CB SER A 806 22.863 24.734 31.972 1.00 34.46 C ATOM 888 OG SER A 806 21.800 24.063 32.597 1.00 39.24 O ATOM 0 H SER A 806 22.656 27.383 32.724 1.00 32.78 H new ATOM 0 HA SER A 806 23.808 25.185 33.796 1.00 30.22 H new ATOM 0 HB2 SER A 806 22.526 25.258 31.228 1.00 34.46 H new ATOM 0 HB3 SER A 806 23.486 24.088 31.605 1.00 34.46 H new ATOM 0 HG SER A 806 21.643 23.345 32.189 1.00 39.24 H new ATOM 889 N GLN A 807 25.890 25.258 32.404 1.00 28.64 N ATOM 890 CA GLN A 807 27.180 25.456 31.792 1.00 35.32 C ATOM 891 C GLN A 807 27.397 24.285 30.807 1.00 33.14 C ATOM 892 O GLN A 807 27.038 23.123 31.125 1.00 28.62 O ATOM 893 CB GLN A 807 28.287 25.456 32.859 1.00 44.78 C ATOM 894 CG GLN A 807 28.655 26.831 33.392 1.00 57.55 C ATOM 895 CD GLN A 807 29.123 27.782 32.286 1.00 69.60 C ATOM 896 OE1 GLN A 807 29.787 27.353 31.332 1.00 71.30 O ATOM 897 NE2 GLN A 807 28.747 29.075 32.388 1.00 80.52 N ATOM 0 H GLN A 807 25.822 24.510 32.823 1.00 28.64 H new ATOM 0 HA GLN A 807 27.213 26.310 31.333 1.00 35.32 H new ATOM 0 HB2 GLN A 807 28.004 24.900 33.602 1.00 44.78 H new ATOM 0 HB3 GLN A 807 29.081 25.045 32.484 1.00 44.78 H new ATOM 0 HG2 GLN A 807 27.887 27.216 33.842 1.00 57.55 H new ATOM 0 HG3 GLN A 807 29.357 26.740 34.055 1.00 57.55 H new ATOM 0 HE21 GLN A 807 28.286 29.337 33.065 1.00 80.52 H new ATOM 0 HE22 GLN A 807 28.968 29.637 31.776 1.00 80.52 H new ATOM 898 N GLY A 808 27.974 24.592 29.641 1.00 28.60 N ATOM 899 CA GLY A 808 28.198 23.555 28.648 1.00 30.05 C ATOM 900 C GLY A 808 29.226 22.526 29.160 1.00 26.42 C ATOM 901 O GLY A 808 29.998 22.798 30.044 1.00 25.67 O ATOM 0 H GLY A 808 28.236 25.379 29.415 1.00 28.60 H new ATOM 0 HA2 GLY A 808 27.361 23.109 28.444 1.00 30.05 H new ATOM 0 HA3 GLY A 808 28.516 23.954 27.823 1.00 30.05 H new ATOM 902 N PRO A 809 29.239 21.321 28.579 1.00 22.14 N ATOM 903 CA PRO A 809 30.227 20.314 28.949 1.00 21.86 C ATOM 904 C PRO A 809 31.670 20.665 28.604 1.00 22.52 C ATOM 905 O PRO A 809 31.971 21.315 27.567 1.00 24.57 O ATOM 906 CB PRO A 809 29.756 19.087 28.149 1.00 21.22 C ATOM 907 CG PRO A 809 29.095 19.658 26.945 1.00 23.11 C ATOM 908 CD PRO A 809 28.376 20.895 27.481 1.00 20.49 C ATOM 0 HA PRO A 809 30.263 20.195 29.911 1.00 21.86 H new ATOM 0 HB2 PRO A 809 30.502 18.517 27.905 1.00 21.22 H new ATOM 0 HB3 PRO A 809 29.140 18.544 28.666 1.00 21.22 H new ATOM 0 HG2 PRO A 809 29.741 19.890 26.260 1.00 23.11 H new ATOM 0 HG3 PRO A 809 28.473 19.029 26.547 1.00 23.11 H new ATOM 0 HD2 PRO A 809 28.290 21.583 26.803 1.00 20.49 H new ATOM 0 HD3 PRO A 809 27.480 20.686 27.788 1.00 20.49 H new ATOM 909 N GLN A 810 32.574 20.109 29.407 1.00 26.87 N ATOM 910 CA GLN A 810 34.004 20.225 29.180 1.00 30.47 C ATOM 911 C GLN A 810 34.420 19.625 27.877 1.00 30.11 C ATOM 912 O GLN A 810 35.341 20.144 27.218 1.00 30.09 O ATOM 913 CB GLN A 810 34.804 19.562 30.306 1.00 36.70 C ATOM 914 CG GLN A 810 34.509 20.118 31.693 1.00 47.40 C ATOM 915 CD GLN A 810 34.867 21.576 31.818 1.00 56.62 C ATOM 916 OE1 GLN A 810 35.886 22.035 31.304 1.00 69.13 O ATOM 917 NE2 GLN A 810 34.006 22.326 32.472 1.00 66.39 N ATOM 0 H GLN A 810 32.368 19.650 30.105 1.00 26.87 H new ATOM 0 HA GLN A 810 34.195 21.176 29.160 1.00 30.47 H new ATOM 0 HB2 GLN A 810 34.618 18.610 30.304 1.00 36.70 H new ATOM 0 HB3 GLN A 810 35.751 19.666 30.121 1.00 36.70 H new ATOM 0 HG2 GLN A 810 33.567 20.001 31.891 1.00 47.40 H new ATOM 0 HG3 GLN A 810 35.003 19.609 32.354 1.00 47.40 H new ATOM 0 HE21 GLN A 810 33.304 21.971 32.819 1.00 66.39 H new ATOM 0 HE22 GLN A 810 34.146 23.171 32.552 1.00 66.39 H new ATOM 918 N LYS A 811 33.755 18.537 27.470 1.00 25.42 N ATOM 919 CA LYS A 811 34.150 17.816 26.287 1.00 22.83 C ATOM 920 C LYS A 811 32.967 17.483 25.426 1.00 21.08 C ATOM 921 O LYS A 811 32.343 16.392 25.574 1.00 21.58 O ATOM 922 CB LYS A 811 34.918 16.564 26.696 1.00 25.33 C ATOM 923 CG LYS A 811 35.502 15.881 25.471 1.00 28.67 C ATOM 924 CD LYS A 811 36.300 14.624 25.844 1.00 32.91 C ATOM 925 CE LYS A 811 36.617 13.805 24.621 1.00 34.67 C ATOM 926 NZ LYS A 811 37.291 12.586 25.133 1.00 39.16 N ATOM 0 H LYS A 811 33.071 18.210 27.876 1.00 25.42 H new ATOM 0 HA LYS A 811 34.730 18.379 25.752 1.00 22.83 H new ATOM 0 HB2 LYS A 811 35.629 16.800 27.312 1.00 25.33 H new ATOM 0 HB3 LYS A 811 34.328 15.953 27.164 1.00 25.33 H new ATOM 0 HG2 LYS A 811 34.786 15.641 24.863 1.00 28.67 H new ATOM 0 HG3 LYS A 811 36.079 16.502 24.999 1.00 28.67 H new ATOM 0 HD2 LYS A 811 37.123 14.879 26.289 1.00 32.91 H new ATOM 0 HD3 LYS A 811 35.792 14.089 26.473 1.00 32.91 H new ATOM 0 HE2 LYS A 811 35.811 13.580 24.131 1.00 34.67 H new ATOM 0 HE3 LYS A 811 37.192 14.294 24.011 1.00 34.67 H new ATOM 0 HZ1 LYS A 811 37.927 12.337 24.563 1.00 39.16 H new ATOM 0 HZ2 LYS A 811 37.655 12.759 25.926 1.00 39.16 H new ATOM 0 HZ3 LYS A 811 36.695 11.930 25.217 1.00 39.16 H new ATOM 927 N PRO A 812 32.576 18.429 24.552 1.00 21.82 N ATOM 928 CA PRO A 812 31.434 18.176 23.719 1.00 21.66 C ATOM 929 C PRO A 812 31.663 16.995 22.786 1.00 20.66 C ATOM 930 O PRO A 812 32.795 16.717 22.413 1.00 22.67 O ATOM 931 CB PRO A 812 31.276 19.495 22.898 1.00 24.26 C ATOM 932 CG PRO A 812 31.988 20.537 23.735 1.00 21.94 C ATOM 933 CD PRO A 812 33.122 19.797 24.356 1.00 22.35 C ATOM 0 HA PRO A 812 30.648 17.948 24.239 1.00 21.66 H new ATOM 0 HB2 PRO A 812 31.674 19.415 22.017 1.00 24.26 H new ATOM 0 HB3 PRO A 812 30.342 19.722 22.767 1.00 24.26 H new ATOM 0 HG2 PRO A 812 32.303 21.275 23.189 1.00 21.94 H new ATOM 0 HG3 PRO A 812 31.400 20.913 24.408 1.00 21.94 H new ATOM 0 HD2 PRO A 812 33.903 19.791 23.780 1.00 22.35 H new ATOM 0 HD3 PRO A 812 33.392 20.198 25.197 1.00 22.35 H new ATOM 934 N MET A 813 30.588 16.321 22.395 1.00 17.66 N ATOM 935 CA MET A 813 30.682 15.143 21.553 1.00 17.53 C ATOM 936 C MET A 813 29.373 15.013 20.772 1.00 16.73 C ATOM 937 O MET A 813 28.319 15.356 21.273 1.00 18.27 O ATOM 938 CB MET A 813 30.971 13.911 22.457 1.00 18.18 C ATOM 939 CG MET A 813 31.425 12.640 21.695 1.00 18.10 C ATOM 940 SD MET A 813 32.711 12.778 20.441 1.00 21.34 S ATOM 941 CE MET A 813 33.962 13.333 21.564 1.00 23.20 C ATOM 0 H MET A 813 29.784 16.536 22.612 1.00 17.66 H new ATOM 0 HA MET A 813 31.406 15.207 20.911 1.00 17.53 H new ATOM 0 HB2 MET A 813 31.657 14.151 23.099 1.00 18.18 H new ATOM 0 HB3 MET A 813 30.170 13.701 22.963 1.00 18.18 H new ATOM 0 HG2 MET A 813 31.729 11.997 22.355 1.00 18.10 H new ATOM 0 HG3 MET A 813 30.641 12.260 21.268 1.00 18.10 H new ATOM 0 HE1 MET A 813 34.837 13.195 21.168 1.00 23.20 H new ATOM 0 HE2 MET A 813 33.836 14.277 21.748 1.00 23.20 H new ATOM 0 HE3 MET A 813 33.900 12.831 22.392 1.00 23.20 H new ATOM 942 N TRP A 814 29.428 14.459 19.583 1.00 17.11 N ATOM 943 CA TRP A 814 28.297 14.297 18.741 1.00 14.83 C ATOM 944 C TRP A 814 28.575 13.200 17.735 1.00 14.99 C ATOM 945 O TRP A 814 29.786 12.794 17.549 1.00 15.25 O ATOM 946 CB TRP A 814 27.931 15.678 18.058 1.00 15.08 C ATOM 947 CG TRP A 814 29.012 16.306 17.196 1.00 16.86 C ATOM 948 CD1 TRP A 814 29.115 16.230 15.840 1.00 17.67 C ATOM 949 CD2 TRP A 814 30.129 17.091 17.634 1.00 16.65 C ATOM 950 NE1 TRP A 814 30.196 16.929 15.419 1.00 18.94 N ATOM 951 CE2 TRP A 814 30.812 17.512 16.482 1.00 18.52 C ATOM 952 CE3 TRP A 814 30.591 17.505 18.887 1.00 17.38 C ATOM 953 CZ2 TRP A 814 32.011 18.256 16.532 1.00 21.58 C ATOM 954 CZ3 TRP A 814 31.764 18.290 18.948 1.00 21.02 C ATOM 955 CH2 TRP A 814 32.480 18.618 17.784 1.00 22.26 C ATOM 0 H TRP A 814 30.157 14.159 19.240 1.00 17.11 H new ATOM 0 HA TRP A 814 27.523 14.027 19.260 1.00 14.83 H new ATOM 0 HB2 TRP A 814 27.141 15.547 17.510 1.00 15.08 H new ATOM 0 HB3 TRP A 814 27.692 16.309 18.755 1.00 15.08 H new ATOM 0 HD1 TRP A 814 28.530 15.767 15.285 1.00 17.67 H new ATOM 0 HE1 TRP A 814 30.454 16.994 14.601 1.00 18.94 H new ATOM 0 HE3 TRP A 814 30.136 17.269 19.663 1.00 17.38 H new ATOM 0 HZ2 TRP A 814 32.467 18.493 15.757 1.00 21.58 H new ATOM 0 HZ3 TRP A 814 32.068 18.595 19.772 1.00 21.02 H new ATOM 0 HH2 TRP A 814 33.281 19.085 17.855 1.00 22.26 H new ATOM 956 N LEU A 815 27.486 12.692 17.141 1.00 14.48 N ATOM 957 CA LEU A 815 27.519 11.459 16.297 1.00 16.07 C ATOM 958 C LEU A 815 28.409 11.626 15.072 1.00 16.31 C ATOM 959 O LEU A 815 29.223 10.753 14.746 1.00 13.81 O ATOM 960 CB LEU A 815 26.192 10.909 15.892 1.00 17.40 C ATOM 961 CG LEU A 815 25.232 10.522 17.028 1.00 17.96 C ATOM 962 CD1 LEU A 815 23.838 10.273 16.548 1.00 17.80 C ATOM 963 CD2 LEU A 815 25.712 9.237 17.720 1.00 18.15 C ATOM 0 H LEU A 815 26.704 13.044 17.209 1.00 14.48 H new ATOM 0 HA LEU A 815 27.901 10.797 16.894 1.00 16.07 H new ATOM 0 HB2 LEU A 815 25.750 11.566 15.332 1.00 17.40 H new ATOM 0 HB3 LEU A 815 26.344 10.124 15.343 1.00 17.40 H new ATOM 0 HG LEU A 815 25.227 11.275 17.639 1.00 17.96 H new ATOM 0 HD11 LEU A 815 23.275 10.033 17.300 1.00 17.80 H new ATOM 0 HD12 LEU A 815 23.492 11.076 16.128 1.00 17.80 H new ATOM 0 HD13 LEU A 815 23.842 9.548 15.904 1.00 17.80 H new ATOM 0 HD21 LEU A 815 25.098 9.005 18.434 1.00 18.15 H new ATOM 0 HD22 LEU A 815 25.744 8.514 17.074 1.00 18.15 H new ATOM 0 HD23 LEU A 815 26.597 9.380 18.090 1.00 18.15 H new ATOM 964 N ASN A 816 28.302 12.770 14.401 1.00 15.83 N ATOM 965 CA ASN A 816 29.165 12.996 13.238 1.00 19.63 C ATOM 966 C ASN A 816 30.645 13.038 13.562 1.00 17.01 C ATOM 967 O ASN A 816 31.399 12.704 12.700 1.00 18.46 O ATOM 968 CB ASN A 816 28.753 14.231 12.432 1.00 19.44 C ATOM 969 CG ASN A 816 27.349 14.118 11.785 1.00 22.17 C ATOM 970 OD1 ASN A 816 26.693 13.048 11.663 1.00 24.25 O ATOM 971 ND2 ASN A 816 26.829 15.323 11.365 1.00 23.07 N ATOM 0 H ASN A 816 27.758 13.409 14.591 1.00 15.83 H new ATOM 0 HA ASN A 816 29.028 12.212 12.684 1.00 19.63 H new ATOM 0 HB2 ASN A 816 28.770 15.007 13.014 1.00 19.44 H new ATOM 0 HB3 ASN A 816 29.409 14.385 11.735 1.00 19.44 H new ATOM 0 HD21 ASN A 816 26.045 15.354 11.013 1.00 23.07 H new ATOM 0 HD22 ASN A 816 27.289 16.044 11.455 1.00 23.07 H new ATOM 972 N LYS A 817 31.033 13.471 14.766 1.00 15.75 N ATOM 973 CA LYS A 817 32.400 13.481 15.213 1.00 18.82 C ATOM 974 C LYS A 817 32.880 12.048 15.439 1.00 18.40 C ATOM 975 O LYS A 817 33.969 11.711 14.959 1.00 15.58 O ATOM 976 CB LYS A 817 32.603 14.274 16.467 1.00 21.26 C ATOM 977 CG LYS A 817 34.028 14.470 16.889 1.00 26.31 C ATOM 978 CD LYS A 817 34.052 15.404 18.073 1.00 31.28 C ATOM 979 CE LYS A 817 35.387 15.526 18.781 1.00 40.08 C ATOM 980 NZ LYS A 817 36.317 16.267 17.936 1.00 48.99 N ATOM 0 H LYS A 817 30.481 13.773 15.352 1.00 15.75 H new ATOM 0 HA LYS A 817 32.918 13.911 14.515 1.00 18.82 H new ATOM 0 HB2 LYS A 817 32.195 15.146 16.348 1.00 21.26 H new ATOM 0 HB3 LYS A 817 32.127 13.834 17.189 1.00 21.26 H new ATOM 0 HG2 LYS A 817 34.430 13.619 17.123 1.00 26.31 H new ATOM 0 HG3 LYS A 817 34.548 14.839 16.158 1.00 26.31 H new ATOM 0 HD2 LYS A 817 33.780 16.286 17.775 1.00 31.28 H new ATOM 0 HD3 LYS A 817 33.389 15.105 18.715 1.00 31.28 H new ATOM 0 HE2 LYS A 817 35.274 15.980 19.630 1.00 40.08 H new ATOM 0 HE3 LYS A 817 35.743 14.645 18.976 1.00 40.08 H new ATOM 0 HZ1 LYS A 817 37.101 16.340 18.350 1.00 48.99 H new ATOM 0 HZ2 LYS A 817 36.427 15.835 17.166 1.00 48.99 H new ATOM 0 HZ3 LYS A 817 35.990 17.079 17.776 1.00 48.99 H new ATOM 981 N VAL A 818 32.041 11.237 16.033 1.00 17.45 N ATOM 982 CA VAL A 818 32.348 9.758 16.198 1.00 17.28 C ATOM 983 C VAL A 818 32.454 9.087 14.829 1.00 17.21 C ATOM 984 O VAL A 818 33.349 8.240 14.604 1.00 16.96 O ATOM 985 CB VAL A 818 31.319 9.039 17.098 1.00 17.30 C ATOM 986 CG1 VAL A 818 31.665 7.560 17.266 1.00 20.29 C ATOM 987 CG2 VAL A 818 31.243 9.688 18.482 1.00 18.14 C ATOM 0 H VAL A 818 31.284 11.482 16.359 1.00 17.45 H new ATOM 0 HA VAL A 818 33.203 9.684 16.650 1.00 17.28 H new ATOM 0 HB VAL A 818 30.459 9.119 16.657 1.00 17.30 H new ATOM 0 HG11 VAL A 818 31.004 7.135 17.834 1.00 20.29 H new ATOM 0 HG12 VAL A 818 31.670 7.128 16.398 1.00 20.29 H new ATOM 0 HG13 VAL A 818 32.542 7.477 17.673 1.00 20.29 H new ATOM 0 HG21 VAL A 818 30.591 9.218 19.025 1.00 18.14 H new ATOM 0 HG22 VAL A 818 32.113 9.642 18.909 1.00 18.14 H new ATOM 0 HG23 VAL A 818 30.977 10.616 18.390 1.00 18.14 H new ATOM 988 N LYS A 819 31.589 9.449 13.899 1.00 16.51 N ATOM 989 CA LYS A 819 31.614 8.895 12.587 1.00 19.30 C ATOM 990 C LYS A 819 32.981 9.190 11.885 1.00 18.96 C ATOM 991 O LYS A 819 33.628 8.297 11.314 1.00 19.77 O ATOM 992 CB LYS A 819 30.437 9.399 11.734 1.00 19.64 C ATOM 993 CG LYS A 819 30.425 8.806 10.368 1.00 21.93 C ATOM 994 CD LYS A 819 29.329 9.304 9.478 1.00 26.86 C ATOM 995 CE LYS A 819 28.004 8.677 9.820 1.00 28.85 C ATOM 996 NZ LYS A 819 27.053 8.780 8.687 1.00 36.58 N ATOM 0 H LYS A 819 30.968 10.031 14.025 1.00 16.51 H new ATOM 0 HA LYS A 819 31.517 7.934 12.674 1.00 19.30 H new ATOM 0 HB2 LYS A 819 29.603 9.187 12.182 1.00 19.64 H new ATOM 0 HB3 LYS A 819 30.484 10.365 11.663 1.00 19.64 H new ATOM 0 HG2 LYS A 819 31.278 8.987 9.943 1.00 21.93 H new ATOM 0 HG3 LYS A 819 30.347 7.842 10.448 1.00 21.93 H new ATOM 0 HD2 LYS A 819 29.261 10.268 9.557 1.00 26.86 H new ATOM 0 HD3 LYS A 819 29.550 9.110 8.554 1.00 26.86 H new ATOM 0 HE2 LYS A 819 28.135 7.744 10.052 1.00 28.85 H new ATOM 0 HE3 LYS A 819 27.629 9.113 10.601 1.00 28.85 H new ATOM 0 HZ1 LYS A 819 26.323 8.304 8.868 1.00 36.58 H new ATOM 0 HZ2 LYS A 819 26.829 9.632 8.564 1.00 36.58 H new ATOM 0 HZ3 LYS A 819 27.436 8.465 7.948 1.00 36.58 H new ATOM 997 N THR A 820 33.403 10.428 11.970 1.00 21.10 N ATOM 998 CA THR A 820 34.691 10.846 11.427 1.00 20.89 C ATOM 999 C THR A 820 35.890 10.158 12.090 1.00 19.97 C ATOM 1000 O THR A 820 36.823 9.710 11.419 1.00 21.26 O ATOM 1001 CB THR A 820 34.760 12.373 11.512 1.00 21.98 C ATOM 1002 OG1 THR A 820 33.797 12.852 10.575 1.00 23.13 O ATOM 1003 CG2 THR A 820 36.142 12.864 11.151 1.00 29.41 C ATOM 0 H THR A 820 32.956 11.060 12.344 1.00 21.10 H new ATOM 0 HA THR A 820 34.751 10.564 10.501 1.00 20.89 H new ATOM 0 HB THR A 820 34.576 12.691 12.410 1.00 21.98 H new ATOM 0 HG1 THR A 820 33.052 12.933 10.955 1.00 23.13 H new ATOM 0 HG21 THR A 820 36.167 13.832 11.210 1.00 29.41 H new ATOM 0 HG22 THR A 820 36.791 12.486 11.765 1.00 29.41 H new ATOM 0 HG23 THR A 820 36.357 12.590 10.246 1.00 29.41 H new ATOM 1004 N SER A 821 35.828 10.059 13.394 1.00 19.47 N ATOM 1005 CA SER A 821 36.837 9.370 14.186 1.00 21.49 C ATOM 1006 C SER A 821 36.965 7.905 13.778 1.00 21.83 C ATOM 1007 O SER A 821 38.094 7.382 13.650 1.00 21.59 O ATOM 1008 CB SER A 821 36.548 9.481 15.686 1.00 20.96 C ATOM 1009 OG SER A 821 36.661 10.864 16.136 1.00 23.68 O ATOM 0 H SER A 821 35.189 10.394 13.862 1.00 19.47 H new ATOM 0 HA SER A 821 37.683 9.809 14.008 1.00 21.49 H new ATOM 0 HB2 SER A 821 35.656 9.148 15.873 1.00 20.96 H new ATOM 0 HB3 SER A 821 37.169 8.924 16.181 1.00 20.96 H new ATOM 0 HG SER A 821 35.986 11.297 15.885 1.00 23.68 H new ATOM 1010 N LEU A 822 35.860 7.234 13.591 1.00 20.41 N ATOM 1011 CA LEU A 822 35.890 5.864 13.082 1.00 22.10 C ATOM 1012 C LEU A 822 36.441 5.759 11.706 1.00 26.63 C ATOM 1013 O LEU A 822 37.224 4.844 11.397 1.00 23.77 O ATOM 1014 CB LEU A 822 34.497 5.241 13.083 1.00 21.71 C ATOM 1015 CG LEU A 822 33.952 4.540 14.247 1.00 23.59 C ATOM 1016 CD1 LEU A 822 32.513 4.078 13.951 1.00 23.08 C ATOM 1017 CD2 LEU A 822 34.801 3.284 14.599 1.00 20.64 C ATOM 0 H LEU A 822 35.073 7.542 13.749 1.00 20.41 H new ATOM 0 HA LEU A 822 36.479 5.385 13.686 1.00 22.10 H new ATOM 0 HB2 LEU A 822 33.874 5.953 12.871 1.00 21.71 H new ATOM 0 HB3 LEU A 822 34.473 4.613 12.344 1.00 21.71 H new ATOM 0 HG LEU A 822 33.968 5.157 14.995 1.00 23.59 H new ATOM 0 HD11 LEU A 822 32.156 3.614 14.725 1.00 23.08 H new ATOM 0 HD12 LEU A 822 31.959 4.850 13.753 1.00 23.08 H new ATOM 0 HD13 LEU A 822 32.516 3.479 13.188 1.00 23.08 H new ATOM 0 HD21 LEU A 822 34.418 2.840 15.372 1.00 20.64 H new ATOM 0 HD22 LEU A 822 34.804 2.674 13.845 1.00 20.64 H new ATOM 0 HD23 LEU A 822 35.711 3.554 14.800 1.00 20.64 H new ATOM 1018 N ASN A 823 36.041 6.673 10.839 1.00 25.66 N ATOM 1019 CA ASN A 823 36.516 6.695 9.448 1.00 27.59 C ATOM 1020 C ASN A 823 38.035 6.889 9.339 1.00 27.89 C ATOM 1021 O ASN A 823 38.664 6.279 8.478 1.00 29.17 O ATOM 1022 CB ASN A 823 35.772 7.770 8.639 1.00 28.34 C ATOM 1023 CG ASN A 823 36.272 7.895 7.191 1.00 32.44 C ATOM 1024 OD1 ASN A 823 36.832 8.925 6.792 1.00 42.51 O ATOM 1025 ND2 ASN A 823 36.049 6.892 6.418 1.00 29.23 N ATOM 0 H ASN A 823 35.487 7.302 11.031 1.00 25.66 H new ATOM 0 HA ASN A 823 36.320 5.823 9.072 1.00 27.59 H new ATOM 0 HB2 ASN A 823 34.825 7.562 8.631 1.00 28.34 H new ATOM 0 HB3 ASN A 823 35.870 8.626 9.084 1.00 28.34 H new ATOM 0 HD21 ASN A 823 36.291 6.922 5.593 1.00 29.23 H new ATOM 0 HD22 ASN A 823 35.658 6.191 6.726 1.00 29.23 H new ATOM 1026 N GLU A 824 38.591 7.707 10.221 1.00 25.33 N ATOM 1027 CA GLU A 824 39.975 8.094 10.227 1.00 28.59 C ATOM 1028 C GLU A 824 40.797 7.096 11.136 1.00 26.14 C ATOM 1029 O GLU A 824 41.927 7.346 11.412 1.00 28.55 O ATOM 1030 CB GLU A 824 40.098 9.545 10.706 1.00 31.24 C ATOM 1031 CG GLU A 824 39.637 10.524 9.605 1.00 38.56 C ATOM 1032 CD GLU A 824 39.673 12.032 9.951 1.00 57.17 C ATOM 1033 OE1 GLU A 824 40.300 12.420 10.975 1.00 61.27 O ATOM 1034 OE2 GLU A 824 39.074 12.864 9.172 1.00 65.99 O ATOM 0 H GLU A 824 38.142 8.065 10.861 1.00 25.33 H new ATOM 0 HA GLU A 824 40.343 8.048 9.331 1.00 28.59 H new ATOM 0 HB2 GLU A 824 39.562 9.673 11.504 1.00 31.24 H new ATOM 0 HB3 GLU A 824 41.018 9.734 10.948 1.00 31.24 H new ATOM 0 HG2 GLU A 824 40.191 10.380 8.822 1.00 38.56 H new ATOM 0 HG3 GLU A 824 38.728 10.293 9.356 1.00 38.56 H new ATOM 1035 N GLN A 825 40.180 6.017 11.583 1.00 22.89 N ATOM 1036 CA GLN A 825 40.824 5.012 12.476 1.00 25.88 C ATOM 1037 C GLN A 825 41.497 5.629 13.688 1.00 25.51 C ATOM 1038 O GLN A 825 42.591 5.262 14.038 1.00 26.70 O ATOM 1039 CB GLN A 825 41.818 4.154 11.669 1.00 27.25 C ATOM 1040 CG GLN A 825 41.162 3.474 10.463 1.00 30.40 C ATOM 1041 CD GLN A 825 42.098 2.991 9.354 1.00 33.20 C ATOM 1042 OE1 GLN A 825 42.864 3.761 8.791 1.00 33.43 O ATOM 1043 NE2 GLN A 825 41.945 1.751 8.973 1.00 30.21 N ATOM 0 H GLN A 825 39.365 5.828 11.385 1.00 22.89 H new ATOM 0 HA GLN A 825 40.117 4.447 12.825 1.00 25.88 H new ATOM 0 HB2 GLN A 825 42.549 4.713 11.363 1.00 27.25 H new ATOM 0 HB3 GLN A 825 42.202 3.478 12.249 1.00 27.25 H new ATOM 0 HG2 GLN A 825 40.654 2.712 10.784 1.00 30.40 H new ATOM 0 HG3 GLN A 825 40.526 4.095 10.074 1.00 30.40 H new ATOM 0 HE21 GLN A 825 41.397 1.237 9.392 1.00 30.21 H new ATOM 0 HE22 GLN A 825 42.392 1.449 8.303 1.00 30.21 H new ATOM 1044 N MET A 826 40.786 6.486 14.409 1.00 22.55 N ATOM 1045 CA AMET A 826 41.325 7.145 15.560 0.53 22.89 C ATOM 1046 CA BMET A 826 41.321 7.165 15.560 0.47 23.48 C ATOM 1047 C MET A 826 41.140 6.332 16.813 1.00 24.47 C ATOM 1048 O MET A 826 41.758 6.610 17.806 1.00 26.21 O ATOM 1049 CB AMET A 826 40.662 8.527 15.747 0.53 27.14 C ATOM 1050 CB BMET A 826 40.655 8.556 15.768 0.47 28.29 C ATOM 1051 CG AMET A 826 40.928 9.450 14.567 0.53 30.58 C ATOM 1052 CG BMET A 826 40.954 9.574 14.665 0.47 33.14 C ATOM 1053 SD AMET A 826 42.626 10.013 14.402 0.53 36.95 S ATOM 1054 SD BMET A 826 40.421 11.256 15.128 0.47 41.79 S ATOM 1055 CE AMET A 826 42.976 10.743 15.999 0.53 36.46 C ATOM 1056 CE BMET A 826 39.780 11.911 13.607 0.47 37.52 C ATOM 0 H AMET A 826 39.971 6.696 14.233 0.53 22.55 H new ATOM 0 H BMET A 826 39.968 6.687 14.235 0.47 22.55 H new ATOM 0 HA AMET A 826 42.277 7.253 15.407 0.53 23.48 H new ATOM 0 HA BMET A 826 42.268 7.296 15.394 0.47 23.48 H new ATOM 0 HB2AMET A 826 39.705 8.414 15.859 0.53 28.29 H new ATOM 0 HB2BMET A 826 39.694 8.436 15.830 0.47 28.29 H new ATOM 0 HB3AMET A 826 40.996 8.938 16.560 0.53 28.29 H new ATOM 0 HB3BMET A 826 40.951 8.920 16.617 0.47 28.29 H new ATOM 0 HG2AMET A 826 40.674 8.990 13.752 0.53 33.14 H new ATOM 0 HG2BMET A 826 41.906 9.577 14.478 0.47 33.14 H new ATOM 0 HG3AMET A 826 40.351 10.226 14.646 0.53 33.14 H new ATOM 0 HG3BMET A 826 40.505 9.306 13.848 0.47 33.14 H new ATOM 0 HE1AMET A 826 43.752 11.321 15.928 0.53 37.52 H new ATOM 0 HE1BMET A 826 38.882 12.248 13.752 0.47 37.52 H new ATOM 0 HE2AMET A 826 42.211 11.263 16.292 0.53 37.52 H new ATOM 0 HE2BMET A 826 40.350 12.633 13.300 0.47 37.52 H new ATOM 0 HE3AMET A 826 43.155 10.041 16.644 0.53 37.52 H new ATOM 0 HE3BMET A 826 39.758 11.210 12.937 0.47 37.52 H new ATOM 1057 N TYR A 827 40.268 5.334 16.806 1.00 20.88 N ATOM 1058 CA TYR A 827 40.102 4.530 18.013 1.00 21.52 C ATOM 1059 C TYR A 827 40.948 3.262 17.906 1.00 21.82 C ATOM 1060 O TYR A 827 40.926 2.617 16.872 1.00 22.53 O ATOM 1061 CB TYR A 827 38.665 4.069 18.200 1.00 20.49 C ATOM 1062 CG TYR A 827 37.643 5.214 18.350 1.00 17.24 C ATOM 1063 CD1 TYR A 827 37.710 6.106 19.405 1.00 17.49 C ATOM 1064 CD2 TYR A 827 36.680 5.419 17.344 1.00 18.01 C ATOM 1065 CE1 TYR A 827 36.827 7.168 19.486 1.00 18.69 C ATOM 1066 CE2 TYR A 827 35.747 6.454 17.437 1.00 19.58 C ATOM 1067 CZ TYR A 827 35.818 7.322 18.505 1.00 17.89 C ATOM 1068 OH TYR A 827 34.871 8.351 18.617 1.00 20.90 O ATOM 0 H TYR A 827 39.776 5.109 16.138 1.00 20.88 H new ATOM 0 HA TYR A 827 40.369 5.091 18.758 1.00 21.52 H new ATOM 0 HB2 TYR A 827 38.411 3.521 17.441 1.00 20.49 H new ATOM 0 HB3 TYR A 827 38.618 3.503 18.986 1.00 20.49 H new ATOM 0 HD1 TYR A 827 38.354 5.991 20.066 1.00 17.49 H new ATOM 0 HD2 TYR A 827 36.665 4.855 16.604 1.00 18.01 H new ATOM 0 HE1 TYR A 827 36.896 7.779 20.183 1.00 18.69 H new ATOM 0 HE2 TYR A 827 35.088 6.556 16.788 1.00 19.58 H new ATOM 0 HH TYR A 827 34.979 8.754 19.346 1.00 20.90 H new ATOM 1069 N THR A 828 41.692 2.949 18.958 1.00 22.28 N ATOM 1070 CA THR A 828 42.532 1.779 18.989 1.00 20.65 C ATOM 1071 C THR A 828 41.889 0.597 19.680 1.00 20.53 C ATOM 1072 O THR A 828 42.290 -0.536 19.417 1.00 19.80 O ATOM 1073 CB THR A 828 43.889 2.062 19.636 1.00 24.18 C ATOM 1074 OG1 THR A 828 43.712 2.545 20.972 1.00 26.73 O ATOM 1075 CG2 THR A 828 44.687 3.041 18.823 1.00 25.84 C ATOM 0 H THR A 828 41.719 3.419 19.678 1.00 22.28 H new ATOM 0 HA THR A 828 42.664 1.545 18.057 1.00 20.65 H new ATOM 0 HB THR A 828 44.385 1.229 19.668 1.00 24.18 H new ATOM 0 HG1 THR A 828 42.918 2.800 21.075 1.00 26.73 H new ATOM 0 HG21 THR A 828 45.540 3.201 19.256 1.00 25.84 H new ATOM 0 HG22 THR A 828 44.838 2.678 17.936 1.00 25.84 H new ATOM 0 HG23 THR A 828 44.199 3.876 18.752 1.00 25.84 H new ATOM 1076 N ARG A 829 40.933 0.863 20.583 1.00 18.67 N ATOM 1077 CA AARG A 829 40.155 -0.169 21.237 0.23 19.86 C ATOM 1078 CA BARG A 829 40.156 -0.157 21.246 0.77 20.51 C ATOM 1079 C ARG A 829 38.670 0.178 21.221 1.00 20.17 C ATOM 1080 O ARG A 829 38.294 1.348 21.150 1.00 19.45 O ATOM 1081 CB AARG A 829 40.629 -0.361 22.680 0.23 20.78 C ATOM 1082 CB BARG A 829 40.594 -0.304 22.698 0.77 23.04 C ATOM 1083 CG AARG A 829 42.012 -1.016 22.773 0.23 21.50 C ATOM 1084 CG BARG A 829 42.003 -0.953 22.816 0.77 25.85 C ATOM 1085 CD AARG A 829 42.535 -1.115 24.189 0.23 22.00 C ATOM 1086 CD BARG A 829 42.548 -0.928 24.207 0.77 27.37 C ATOM 1087 NE AARG A 829 43.708 -1.992 24.242 0.23 22.26 N ATOM 1088 NE BARG A 829 44.012 -1.114 24.218 0.77 28.76 N ATOM 1089 CZ AARG A 829 44.934 -1.620 23.889 0.23 22.78 C ATOM 1090 CZ BARG A 829 44.689 -2.276 24.251 0.77 32.49 C ATOM 1091 NH1AARG A 829 45.148 -0.387 23.493 0.23 21.61 N ATOM 1092 NH1BARG A 829 44.101 -3.508 24.249 0.77 30.85 N ATOM 1093 NH2AARG A 829 45.947 -2.473 23.934 0.23 23.46 N ATOM 1094 NH2BARG A 829 46.021 -2.196 24.247 0.77 31.39 N ATOM 0 H AARG A 829 40.725 1.661 20.828 0.23 18.67 H new ATOM 0 H BARG A 829 40.725 1.662 20.822 0.77 18.67 H new ATOM 0 HA AARG A 829 40.284 -0.997 20.749 0.23 20.51 H new ATOM 0 HA BARG A 829 40.306 -0.988 20.768 0.77 20.51 H new ATOM 0 HB2AARG A 829 40.654 0.501 23.124 0.23 23.04 H new ATOM 0 HB2BARG A 829 40.603 0.568 23.122 0.77 23.04 H new ATOM 0 HB3AARG A 829 39.985 -0.907 23.157 0.23 23.04 H new ATOM 0 HB3BARG A 829 39.948 -0.846 23.177 0.77 23.04 H new ATOM 0 HG2AARG A 829 41.968 -1.905 22.389 0.23 25.85 H new ATOM 0 HG2BARG A 829 41.956 -1.872 22.510 0.77 25.85 H new ATOM 0 HG3AARG A 829 42.641 -0.507 22.238 0.23 25.85 H new ATOM 0 HG3BARG A 829 42.617 -0.489 22.226 0.77 25.85 H new ATOM 0 HD2AARG A 829 42.769 -0.232 24.516 0.23 27.37 H new ATOM 0 HD2BARG A 829 42.325 -0.083 24.628 0.77 27.37 H new ATOM 0 HD3AARG A 829 41.841 -1.459 24.773 0.23 27.37 H new ATOM 0 HD3BARG A 829 42.128 -1.627 24.733 0.77 27.37 H new ATOM 0 HE AARG A 829 43.596 -2.798 24.519 0.23 28.76 H new ATOM 0 HE BARG A 829 44.487 -0.397 24.201 0.77 28.76 H new ATOM 0 HH11AARG A 829 44.497 0.174 23.463 0.23 30.85 H new ATOM 0 HH11BARG A 829 43.244 -3.575 24.226 0.77 30.85 H new ATOM 0 HH12AARG A 829 45.939 -0.140 23.263 0.23 30.85 H new ATOM 0 HH12BARG A 829 44.588 -4.217 24.271 0.77 30.85 H new ATOM 0 HH21AARG A 829 45.817 -3.282 24.195 0.23 31.39 H new ATOM 0 HH21BARG A 829 46.406 -1.427 24.224 0.77 31.39 H new ATOM 0 HH22AARG A 829 46.735 -2.218 23.702 0.23 31.39 H new ATOM 0 HH22BARG A 829 46.495 -2.913 24.267 0.77 31.39 H new ATOM 1095 N VAL A 830 37.850 -0.855 21.343 1.00 17.58 N ATOM 1096 CA VAL A 830 36.427 -0.673 21.485 1.00 17.23 C ATOM 1097 C VAL A 830 36.052 0.389 22.566 1.00 18.29 C ATOM 1098 O VAL A 830 35.105 1.209 22.365 1.00 17.00 O ATOM 1099 CB VAL A 830 35.695 -1.973 21.690 1.00 15.41 C ATOM 1100 CG1 VAL A 830 34.234 -1.747 21.953 1.00 17.63 C ATOM 1101 CG2 VAL A 830 35.837 -2.865 20.473 1.00 17.08 C ATOM 0 H VAL A 830 38.107 -1.676 21.345 1.00 17.58 H new ATOM 0 HA VAL A 830 36.124 -0.314 20.637 1.00 17.23 H new ATOM 0 HB VAL A 830 36.093 -2.403 22.463 1.00 15.41 H new ATOM 0 HG11 VAL A 830 33.792 -2.601 22.080 1.00 17.63 H new ATOM 0 HG12 VAL A 830 34.129 -1.207 22.752 1.00 17.63 H new ATOM 0 HG13 VAL A 830 33.836 -1.287 21.197 1.00 17.63 H new ATOM 0 HG21 VAL A 830 35.360 -3.696 20.623 1.00 17.08 H new ATOM 0 HG22 VAL A 830 35.467 -2.416 19.697 1.00 17.08 H new ATOM 0 HG23 VAL A 830 36.776 -3.055 20.318 1.00 17.08 H new ATOM 1102 N GLU A 831 36.772 0.379 23.693 1.00 15.95 N ATOM 1103 CA GLU A 831 36.526 1.313 24.757 1.00 20.27 C ATOM 1104 C GLU A 831 36.483 2.793 24.302 1.00 17.22 C ATOM 1105 O GLU A 831 35.695 3.557 24.789 1.00 17.39 O ATOM 1106 CB GLU A 831 37.666 1.120 25.757 1.00 25.49 C ATOM 1107 CG GLU A 831 37.720 2.028 26.917 1.00 36.13 C ATOM 1108 CD GLU A 831 38.906 1.641 27.819 1.00 46.91 C ATOM 1109 OE1 GLU A 831 40.062 1.531 27.280 1.00 48.86 O ATOM 1110 OE2 GLU A 831 38.629 1.392 29.022 1.00 54.22 O ATOM 0 H GLU A 831 37.412 -0.174 23.848 1.00 15.95 H new ATOM 0 HA GLU A 831 35.649 1.136 25.132 1.00 20.27 H new ATOM 0 HB2 GLU A 831 37.619 0.211 26.092 1.00 25.49 H new ATOM 0 HB3 GLU A 831 38.503 1.202 25.275 1.00 25.49 H new ATOM 0 HG2 GLU A 831 37.815 2.946 26.617 1.00 36.13 H new ATOM 0 HG3 GLU A 831 36.891 1.978 27.418 1.00 36.13 H new ATOM 1111 N GLY A 832 37.365 3.170 23.392 1.00 17.63 N ATOM 1112 CA GLY A 832 37.446 4.552 22.871 1.00 19.62 C ATOM 1113 C GLY A 832 36.122 4.972 22.260 1.00 18.59 C ATOM 1114 O GLY A 832 35.624 6.102 22.530 1.00 15.98 O ATOM 0 H GLY A 832 37.945 2.636 23.048 1.00 17.63 H new ATOM 0 HA2 GLY A 832 37.684 5.160 23.589 1.00 19.62 H new ATOM 0 HA3 GLY A 832 38.148 4.611 22.205 1.00 19.62 H new ATOM 1115 N PHE A 833 35.591 4.125 21.398 1.00 17.93 N ATOM 1116 CA PHE A 833 34.354 4.388 20.713 1.00 18.77 C ATOM 1117 C PHE A 833 33.186 4.417 21.708 1.00 17.95 C ATOM 1118 O PHE A 833 32.365 5.326 21.706 1.00 14.51 O ATOM 1119 CB PHE A 833 34.103 3.323 19.622 1.00 17.71 C ATOM 1120 CG PHE A 833 32.714 3.267 19.085 1.00 17.84 C ATOM 1121 CD1 PHE A 833 32.315 4.167 18.116 1.00 18.25 C ATOM 1122 CD2 PHE A 833 31.783 2.295 19.504 1.00 18.13 C ATOM 1123 CE1 PHE A 833 31.036 4.170 17.641 1.00 17.87 C ATOM 1124 CE2 PHE A 833 30.473 2.294 19.009 1.00 17.86 C ATOM 1125 CZ PHE A 833 30.111 3.225 18.034 1.00 19.35 C ATOM 0 H PHE A 833 35.949 3.370 21.194 1.00 17.93 H new ATOM 0 HA PHE A 833 34.419 5.257 20.287 1.00 18.77 H new ATOM 0 HB2 PHE A 833 34.711 3.489 18.885 1.00 17.71 H new ATOM 0 HB3 PHE A 833 34.328 2.452 19.985 1.00 17.71 H new ATOM 0 HD1 PHE A 833 32.928 4.781 17.782 1.00 18.25 H new ATOM 0 HD2 PHE A 833 32.042 1.646 20.117 1.00 18.13 H new ATOM 0 HE1 PHE A 833 30.781 4.828 17.035 1.00 17.87 H new ATOM 0 HE2 PHE A 833 29.851 1.680 19.326 1.00 17.86 H new ATOM 0 HZ PHE A 833 29.261 3.209 17.656 1.00 19.35 H new ATOM 1126 N VAL A 834 33.110 3.409 22.576 1.00 16.38 N ATOM 1127 CA VAL A 834 32.025 3.340 23.541 1.00 17.02 C ATOM 1128 C VAL A 834 32.054 4.553 24.463 1.00 14.79 C ATOM 1129 O VAL A 834 30.952 5.088 24.795 1.00 15.46 O ATOM 1130 CB VAL A 834 32.000 1.991 24.346 1.00 15.17 C ATOM 1131 CG1 VAL A 834 30.950 1.997 25.446 1.00 17.54 C ATOM 1132 CG2 VAL A 834 31.680 0.864 23.362 1.00 16.23 C ATOM 0 H VAL A 834 33.674 2.761 22.620 1.00 16.38 H new ATOM 0 HA VAL A 834 31.195 3.357 23.039 1.00 17.02 H new ATOM 0 HB VAL A 834 32.864 1.868 24.769 1.00 15.17 H new ATOM 0 HG11 VAL A 834 30.969 1.149 25.916 1.00 17.54 H new ATOM 0 HG12 VAL A 834 31.138 2.716 26.069 1.00 17.54 H new ATOM 0 HG13 VAL A 834 30.072 2.130 25.055 1.00 17.54 H new ATOM 0 HG21 VAL A 834 31.659 0.017 23.835 1.00 16.23 H new ATOM 0 HG22 VAL A 834 30.816 1.027 22.953 1.00 16.23 H new ATOM 0 HG23 VAL A 834 32.362 0.832 22.673 1.00 16.23 H new ATOM 1133 N GLN A 835 33.216 4.955 24.943 1.00 16.32 N ATOM 1134 CA GLN A 835 33.304 6.146 25.811 1.00 16.54 C ATOM 1135 C GLN A 835 32.722 7.401 25.143 1.00 16.19 C ATOM 1136 O GLN A 835 31.981 8.183 25.791 1.00 16.24 O ATOM 1137 CB GLN A 835 34.722 6.448 26.306 1.00 20.37 C ATOM 1138 CG GLN A 835 35.050 5.398 27.362 1.00 21.92 C ATOM 1139 CD GLN A 835 36.512 5.390 27.797 1.00 31.84 C ATOM 1140 OE1 GLN A 835 37.403 5.950 27.129 1.00 31.30 O ATOM 1141 NE2 GLN A 835 36.762 4.685 28.909 1.00 35.58 N ATOM 0 H GLN A 835 33.967 4.565 24.788 1.00 16.32 H new ATOM 0 HA GLN A 835 32.765 5.917 26.584 1.00 16.54 H new ATOM 0 HB2 GLN A 835 35.358 6.411 25.574 1.00 20.37 H new ATOM 0 HB3 GLN A 835 34.773 7.341 26.681 1.00 20.37 H new ATOM 0 HG2 GLN A 835 34.492 5.550 28.140 1.00 21.92 H new ATOM 0 HG3 GLN A 835 34.821 4.522 27.015 1.00 21.92 H new ATOM 0 HE21 GLN A 835 36.115 4.315 29.338 1.00 35.58 H new ATOM 0 HE22 GLN A 835 37.569 4.602 29.193 1.00 35.58 H new ATOM 1142 N ASP A 836 33.169 7.688 23.975 1.00 17.22 N ATOM 1143 CA ASP A 836 32.623 8.858 23.187 1.00 17.22 C ATOM 1144 C ASP A 836 31.106 8.733 22.997 1.00 17.73 C ATOM 1145 O ASP A 836 30.392 9.719 23.193 1.00 15.80 O ATOM 1146 CB ASP A 836 33.307 8.994 21.821 1.00 17.90 C ATOM 1147 CG ASP A 836 34.688 9.705 21.894 1.00 21.31 C ATOM 1148 OD1 ASP A 836 35.046 10.181 22.997 1.00 22.05 O ATOM 1149 OD2 ASP A 836 35.404 9.704 20.848 1.00 20.92 O ATOM 0 H ASP A 836 33.790 7.247 23.575 1.00 17.22 H new ATOM 0 HA ASP A 836 32.813 9.658 23.702 1.00 17.22 H new ATOM 0 HB2 ASP A 836 33.424 8.112 21.436 1.00 17.90 H new ATOM 0 HB3 ASP A 836 32.726 9.490 21.223 1.00 17.90 H new ATOM 1150 N MET A 837 30.591 7.561 22.609 1.00 15.42 N ATOM 1151 CA MET A 837 29.122 7.401 22.453 1.00 14.55 C ATOM 1152 C MET A 837 28.412 7.682 23.754 1.00 15.64 C ATOM 1153 O MET A 837 27.430 8.502 23.790 1.00 16.56 O ATOM 1154 CB MET A 837 28.764 6.040 21.914 1.00 13.26 C ATOM 1155 CG MET A 837 29.246 5.777 20.504 1.00 15.58 C ATOM 1156 SD MET A 837 28.370 6.823 19.283 1.00 16.64 S ATOM 1157 CE MET A 837 26.775 6.070 19.227 1.00 16.67 C ATOM 0 H MET A 837 31.054 6.858 22.433 1.00 15.42 H new ATOM 0 HA MET A 837 28.822 8.053 21.800 1.00 14.55 H new ATOM 0 HB2 MET A 837 29.135 5.364 22.502 1.00 13.26 H new ATOM 0 HB3 MET A 837 27.800 5.938 21.938 1.00 13.26 H new ATOM 0 HG2 MET A 837 30.200 5.947 20.451 1.00 15.58 H new ATOM 0 HG3 MET A 837 29.112 4.842 20.285 1.00 15.58 H new ATOM 0 HE1 MET A 837 26.277 6.422 18.473 1.00 16.67 H new ATOM 0 HE2 MET A 837 26.873 5.110 19.129 1.00 16.67 H new ATOM 0 HE3 MET A 837 26.297 6.264 20.048 1.00 16.67 H new ATOM 1158 N ARG A 838 28.915 7.132 24.884 1.00 13.99 N ATOM 1159 CA ARG A 838 28.224 7.367 26.156 1.00 16.66 C ATOM 1160 C ARG A 838 28.297 8.819 26.642 1.00 15.73 C ATOM 1161 O ARG A 838 27.328 9.343 27.297 1.00 16.49 O ATOM 1162 CB ARG A 838 28.723 6.405 27.258 1.00 16.54 C ATOM 1163 CG ARG A 838 28.230 4.965 27.005 1.00 16.45 C ATOM 1164 CD ARG A 838 28.933 3.948 27.934 1.00 17.65 C ATOM 1165 NE ARG A 838 28.256 2.651 27.798 1.00 17.60 N ATOM 1166 CZ ARG A 838 28.716 1.502 28.332 1.00 22.47 C ATOM 1167 NH1 ARG A 838 29.909 1.461 28.905 1.00 21.43 N ATOM 1168 NH2 ARG A 838 27.995 0.386 28.212 1.00 19.55 N ATOM 0 H ARG A 838 29.622 6.644 24.928 1.00 13.99 H new ATOM 0 HA ARG A 838 27.289 7.184 25.975 1.00 16.66 H new ATOM 0 HB2 ARG A 838 29.692 6.417 27.287 1.00 16.54 H new ATOM 0 HB3 ARG A 838 28.409 6.710 28.124 1.00 16.54 H new ATOM 0 HG2 ARG A 838 27.271 4.922 27.144 1.00 16.45 H new ATOM 0 HG3 ARG A 838 28.393 4.725 26.079 1.00 16.45 H new ATOM 0 HD2 ARG A 838 29.870 3.866 27.697 1.00 17.65 H new ATOM 0 HD3 ARG A 838 28.899 4.252 28.855 1.00 17.65 H new ATOM 0 HE ARG A 838 27.522 2.623 27.351 1.00 17.60 H new ATOM 0 HH11 ARG A 838 30.395 2.170 28.938 1.00 21.43 H new ATOM 0 HH12 ARG A 838 30.198 0.726 29.244 1.00 21.43 H new ATOM 0 HH21 ARG A 838 27.242 0.403 27.796 1.00 19.55 H new ATOM 0 HH22 ARG A 838 28.283 -0.350 28.550 1.00 19.55 H new ATOM 1169 N LEU A 839 29.364 9.463 26.220 1.00 17.03 N ATOM 1170 CA LEU A 839 29.620 10.862 26.601 1.00 17.01 C ATOM 1171 C LEU A 839 28.584 11.799 25.945 1.00 17.88 C ATOM 1172 O LEU A 839 28.168 12.797 26.584 1.00 16.19 O ATOM 1173 CB LEU A 839 31.022 11.293 26.164 1.00 19.33 C ATOM 1174 CG LEU A 839 31.483 12.728 26.514 1.00 19.03 C ATOM 1175 CD1 LEU A 839 31.489 12.942 28.030 1.00 22.05 C ATOM 1176 CD2 LEU A 839 32.846 12.918 25.880 1.00 21.58 C ATOM 0 H LEU A 839 29.963 9.118 25.709 1.00 17.03 H new ATOM 0 HA LEU A 839 29.549 10.923 27.566 1.00 17.01 H new ATOM 0 HB2 LEU A 839 31.658 10.673 26.554 1.00 19.33 H new ATOM 0 HB3 LEU A 839 31.078 11.189 25.201 1.00 19.33 H new ATOM 0 HG LEU A 839 30.872 13.396 26.165 1.00 19.03 H new ATOM 0 HD11 LEU A 839 31.780 13.846 28.228 1.00 22.05 H new ATOM 0 HD12 LEU A 839 30.594 12.807 28.380 1.00 22.05 H new ATOM 0 HD13 LEU A 839 32.096 12.309 28.444 1.00 22.05 H new ATOM 0 HD21 LEU A 839 33.173 13.810 26.076 1.00 21.58 H new ATOM 0 HD22 LEU A 839 33.464 12.261 26.238 1.00 21.58 H new ATOM 0 HD23 LEU A 839 32.775 12.804 24.919 1.00 21.58 H new ATOM 1177 N ILE A 840 28.194 11.492 24.725 1.00 15.24 N ATOM 1178 CA ILE A 840 27.096 12.247 24.064 1.00 18.40 C ATOM 1179 C ILE A 840 25.903 12.350 25.000 1.00 17.96 C ATOM 1180 O ILE A 840 25.341 13.429 25.225 1.00 17.72 O ATOM 1181 CB ILE A 840 26.685 11.578 22.727 1.00 17.76 C ATOM 1182 CG1 ILE A 840 27.892 11.619 21.748 1.00 17.42 C ATOM 1183 CG2 ILE A 840 25.410 12.155 22.142 1.00 15.26 C ATOM 1184 CD1 ILE A 840 27.697 10.799 20.486 1.00 18.05 C ATOM 0 H ILE A 840 28.535 10.861 24.250 1.00 15.24 H new ATOM 0 HA ILE A 840 27.416 13.140 23.861 1.00 18.40 H new ATOM 0 HB ILE A 840 26.462 10.649 22.897 1.00 17.76 H new ATOM 0 HG12 ILE A 840 28.063 12.541 21.499 1.00 17.42 H new ATOM 0 HG13 ILE A 840 28.682 11.299 22.211 1.00 17.42 H new ATOM 0 HG21 ILE A 840 25.201 11.702 21.310 1.00 15.26 H new ATOM 0 HG22 ILE A 840 24.681 12.031 22.769 1.00 15.26 H new ATOM 0 HG23 ILE A 840 25.532 13.102 21.972 1.00 15.26 H new ATOM 0 HD11 ILE A 840 28.486 10.872 19.927 1.00 18.05 H new ATOM 0 HD12 ILE A 840 27.554 9.869 20.723 1.00 18.05 H new ATOM 0 HD13 ILE A 840 26.926 11.131 20.000 1.00 18.05 H new ATOM 1185 N PHE A 841 25.443 11.227 25.520 1.00 18.02 N ATOM 1186 CA PHE A 841 24.199 11.237 26.277 1.00 18.61 C ATOM 1187 C PHE A 841 24.415 11.783 27.670 1.00 18.73 C ATOM 1188 O PHE A 841 23.503 12.396 28.248 1.00 20.31 O ATOM 1189 CB PHE A 841 23.571 9.831 26.245 1.00 20.01 C ATOM 1190 CG PHE A 841 23.517 9.251 24.865 1.00 18.06 C ATOM 1191 CD1 PHE A 841 22.852 9.902 23.865 1.00 17.49 C ATOM 1192 CD2 PHE A 841 24.276 8.116 24.538 1.00 18.50 C ATOM 1193 CE1 PHE A 841 22.819 9.375 22.579 1.00 19.05 C ATOM 1194 CE2 PHE A 841 24.229 7.607 23.249 1.00 17.21 C ATOM 1195 CZ PHE A 841 23.576 8.244 22.282 1.00 17.47 C ATOM 0 H PHE A 841 25.825 10.460 25.450 1.00 18.02 H new ATOM 0 HA PHE A 841 23.562 11.841 25.865 1.00 18.61 H new ATOM 0 HB2 PHE A 841 24.082 9.240 26.820 1.00 20.01 H new ATOM 0 HB3 PHE A 841 22.673 9.874 26.609 1.00 20.01 H new ATOM 0 HD1 PHE A 841 22.418 10.704 24.046 1.00 17.49 H new ATOM 0 HD2 PHE A 841 24.808 7.708 25.183 1.00 18.50 H new ATOM 0 HE1 PHE A 841 22.296 9.774 21.922 1.00 19.05 H new ATOM 0 HE2 PHE A 841 24.662 6.806 23.058 1.00 17.21 H new ATOM 0 HZ PHE A 841 23.625 7.934 21.406 1.00 17.47 H new ATOM 1196 N HIS A 842 25.579 11.529 28.241 1.00 17.99 N ATOM 1197 CA HIS A 842 25.858 12.015 29.601 1.00 20.57 C ATOM 1198 C HIS A 842 25.926 13.576 29.580 1.00 20.49 C ATOM 1199 O HIS A 842 25.351 14.245 30.481 1.00 21.08 O ATOM 1200 CB HIS A 842 27.170 11.487 30.116 1.00 23.59 C ATOM 1201 CG HIS A 842 27.375 11.734 31.563 1.00 27.66 C ATOM 1202 ND1 HIS A 842 28.185 12.728 32.039 1.00 34.22 N ATOM 1203 CD2 HIS A 842 26.830 11.138 32.659 1.00 36.67 C ATOM 1204 CE1 HIS A 842 28.166 12.733 33.361 1.00 31.89 C ATOM 1205 NE2 HIS A 842 27.355 11.773 33.766 1.00 37.74 N ATOM 0 H HIS A 842 26.218 11.085 27.874 1.00 17.99 H new ATOM 0 HA HIS A 842 25.148 11.704 30.184 1.00 20.57 H new ATOM 0 HB2 HIS A 842 27.216 10.533 29.948 1.00 23.59 H new ATOM 0 HB3 HIS A 842 27.894 11.898 29.619 1.00 23.59 H new ATOM 0 HD1 HIS A 842 28.640 13.270 31.550 1.00 34.22 H new ATOM 0 HD2 HIS A 842 26.220 10.436 32.661 1.00 36.67 H new ATOM 0 HE1 HIS A 842 28.642 13.313 33.911 1.00 31.89 H new ATOM 1206 N ASN A 843 26.594 14.117 28.570 1.00 19.79 N ATOM 1207 CA ASN A 843 26.660 15.585 28.408 1.00 20.10 C ATOM 1208 C ASN A 843 25.230 16.178 28.290 1.00 20.03 C ATOM 1209 O ASN A 843 24.915 17.202 28.938 1.00 21.93 O ATOM 1210 CB ASN A 843 27.430 15.995 27.173 1.00 17.78 C ATOM 1211 CG ASN A 843 28.932 15.844 27.313 1.00 17.38 C ATOM 1212 OD1 ASN A 843 29.453 15.588 28.372 1.00 19.02 O ATOM 1213 ND2 ASN A 843 29.593 15.948 26.226 1.00 18.23 N ATOM 0 H ASN A 843 27.014 13.668 27.969 1.00 19.79 H new ATOM 0 HA ASN A 843 27.117 15.926 29.193 1.00 20.10 H new ATOM 0 HB2 ASN A 843 27.128 15.461 26.421 1.00 17.78 H new ATOM 0 HB3 ASN A 843 27.224 16.920 26.965 1.00 17.78 H new ATOM 0 HD21 ASN A 843 30.445 15.834 26.229 1.00 18.23 H new ATOM 0 HD22 ASN A 843 29.186 16.132 25.491 1.00 18.23 H new ATOM 1214 N HIS A 844 24.367 15.544 27.520 1.00 19.92 N ATOM 1215 CA HIS A 844 22.967 15.985 27.353 1.00 21.79 C ATOM 1216 C HIS A 844 22.170 15.983 28.670 1.00 21.38 C ATOM 1217 O HIS A 844 21.527 16.977 29.018 1.00 23.17 O ATOM 1218 CB HIS A 844 22.290 15.134 26.284 1.00 20.31 C ATOM 1219 CG HIS A 844 20.849 15.438 26.046 1.00 19.14 C ATOM 1220 ND1 HIS A 844 20.438 16.247 24.994 1.00 21.13 N ATOM 1221 CD2 HIS A 844 19.714 15.048 26.685 1.00 16.49 C ATOM 1222 CE1 HIS A 844 19.114 16.293 24.976 1.00 20.58 C ATOM 1223 NE2 HIS A 844 18.659 15.607 26.015 1.00 19.49 N ATOM 0 H HIS A 844 24.565 14.838 27.070 1.00 19.92 H new ATOM 0 HA HIS A 844 22.982 16.911 27.064 1.00 21.79 H new ATOM 0 HB2 HIS A 844 22.771 15.246 25.449 1.00 20.31 H new ATOM 0 HB3 HIS A 844 22.371 14.201 26.535 1.00 20.31 H new ATOM 0 HD2 HIS A 844 19.664 14.503 27.437 1.00 16.49 H new ATOM 0 HE1 HIS A 844 18.593 16.732 24.343 1.00 20.58 H new ATOM 0 HE2 HIS A 844 17.831 15.526 26.234 1.00 19.49 H new ATOM 1224 N LYS A 845 22.301 14.912 29.432 1.00 22.19 N ATOM 1225 CA ALYS A 845 21.658 14.791 30.752 0.50 23.84 C ATOM 1226 CA BLYS A 845 21.628 14.793 30.714 0.50 24.77 C ATOM 1227 C LYS A 845 22.099 15.845 31.708 1.00 24.05 C ATOM 1228 O LYS A 845 21.289 16.462 32.403 1.00 27.35 O ATOM 1229 CB ALYS A 845 21.993 13.472 31.405 0.50 25.05 C ATOM 1230 CB BLYS A 845 21.841 13.399 31.271 0.50 26.68 C ATOM 1231 CG ALYS A 845 21.310 12.343 30.722 0.50 27.94 C ATOM 1232 CG BLYS A 845 21.172 13.146 32.604 0.50 31.49 C ATOM 1233 CD ALYS A 845 21.864 10.972 31.086 0.50 32.75 C ATOM 1234 CD BLYS A 845 22.201 13.006 33.680 0.50 34.71 C ATOM 1235 CE ALYS A 845 20.932 10.286 32.043 0.50 34.59 C ATOM 1236 CE BLYS A 845 22.284 11.584 34.156 0.50 36.61 C ATOM 1237 NZ ALYS A 845 21.209 8.824 32.068 0.50 33.97 N ATOM 1238 NZ BLYS A 845 21.229 11.337 35.164 0.50 37.96 N ATOM 0 H ALYS A 845 22.766 14.225 29.207 0.50 22.19 H new ATOM 0 H BLYS A 845 22.783 14.232 29.222 0.50 22.19 H new ATOM 0 HA ALYS A 845 20.708 14.875 30.574 0.50 24.77 H new ATOM 0 HA BLYS A 845 20.681 14.945 30.571 0.50 24.77 H new ATOM 0 HB2ALYS A 845 22.953 13.333 31.384 0.50 26.68 H new ATOM 0 HB2BLYS A 845 21.510 12.752 30.628 0.50 26.68 H new ATOM 0 HB3ALYS A 845 21.730 13.495 32.338 0.50 26.68 H new ATOM 0 HB3BLYS A 845 22.794 13.243 31.366 0.50 26.68 H new ATOM 0 HG2ALYS A 845 20.365 12.368 30.941 0.50 31.49 H new ATOM 0 HG2BLYS A 845 20.571 13.877 32.816 0.50 31.49 H new ATOM 0 HG3ALYS A 845 21.382 12.466 29.763 0.50 31.49 H new ATOM 0 HG3BLYS A 845 20.633 12.341 32.555 0.50 31.49 H new ATOM 0 HD2ALYS A 845 21.973 10.435 30.286 0.50 34.71 H new ATOM 0 HD2BLYS A 845 23.066 13.291 33.345 0.50 34.71 H new ATOM 0 HD3ALYS A 845 22.742 11.065 31.487 0.50 34.71 H new ATOM 0 HD3BLYS A 845 21.979 13.588 34.424 0.50 34.71 H new ATOM 0 HE2ALYS A 845 21.039 10.658 32.932 0.50 36.61 H new ATOM 0 HE2BLYS A 845 22.178 10.976 33.408 0.50 36.61 H new ATOM 0 HE3ALYS A 845 20.012 10.444 31.779 0.50 36.61 H new ATOM 0 HE3BLYS A 845 23.158 11.412 34.540 0.50 36.61 H new ATOM 0 HZ1ALYS A 845 20.653 8.426 32.637 0.50 37.96 H new ATOM 0 HZ1BLYS A 845 21.279 10.494 35.446 0.50 37.96 H new ATOM 0 HZ2ALYS A 845 21.092 8.485 31.253 0.50 37.96 H new ATOM 0 HZ2BLYS A 845 21.343 11.887 35.854 0.50 37.96 H new ATOM 0 HZ3ALYS A 845 22.049 8.685 32.328 0.50 37.96 H new ATOM 0 HZ3BLYS A 845 20.430 11.481 34.799 0.50 37.96 H new ATOM 1239 N GLU A 846 23.367 16.035 31.782 1.00 23.59 N ATOM 1240 CA GLU A 846 23.902 17.077 32.661 1.00 29.75 C ATOM 1241 C GLU A 846 23.500 18.497 32.252 1.00 26.83 C ATOM 1242 O GLU A 846 23.238 19.352 33.126 1.00 31.92 O ATOM 1243 CB GLU A 846 25.408 16.950 32.815 1.00 33.74 C ATOM 1244 CG GLU A 846 25.872 15.631 33.473 1.00 38.69 C ATOM 1245 CD GLU A 846 25.249 15.436 34.856 1.00 47.40 C ATOM 1246 OE1 GLU A 846 25.566 16.279 35.709 1.00 47.18 O ATOM 1247 OE2 GLU A 846 24.431 14.492 35.070 1.00 44.05 O ATOM 0 H GLU A 846 23.957 15.587 31.344 1.00 23.59 H new ATOM 0 HA GLU A 846 23.491 16.928 33.527 1.00 29.75 H new ATOM 0 HB2 GLU A 846 25.819 17.024 31.940 1.00 33.74 H new ATOM 0 HB3 GLU A 846 25.732 17.695 33.345 1.00 33.74 H new ATOM 0 HG2 GLU A 846 25.633 14.884 32.903 1.00 38.69 H new ATOM 0 HG3 GLU A 846 26.839 15.631 33.551 1.00 38.69 H new ATOM 1248 N PHE A 847 23.402 18.759 30.970 1.00 24.13 N ATOM 1249 CA PHE A 847 23.151 20.161 30.533 1.00 26.26 C ATOM 1250 C PHE A 847 21.673 20.547 30.732 1.00 27.36 C ATOM 1251 O PHE A 847 21.335 21.672 31.182 1.00 27.36 O ATOM 1252 CB PHE A 847 23.543 20.371 29.101 1.00 24.79 C ATOM 1253 CG PHE A 847 23.349 21.805 28.644 1.00 23.56 C ATOM 1254 CD1 PHE A 847 24.204 22.784 29.101 1.00 25.24 C ATOM 1255 CD2 PHE A 847 22.350 22.138 27.761 1.00 22.94 C ATOM 1256 CE1 PHE A 847 24.035 24.146 28.697 1.00 23.21 C ATOM 1257 CE2 PHE A 847 22.167 23.465 27.334 1.00 26.33 C ATOM 1258 CZ PHE A 847 23.032 24.453 27.797 1.00 23.12 C ATOM 0 H PHE A 847 23.471 18.180 30.338 1.00 24.13 H new ATOM 0 HA PHE A 847 23.703 20.734 31.088 1.00 26.26 H new ATOM 0 HB2 PHE A 847 24.473 20.122 28.984 1.00 24.79 H new ATOM 0 HB3 PHE A 847 23.018 19.782 28.536 1.00 24.79 H new ATOM 0 HD1 PHE A 847 24.898 22.557 29.678 1.00 25.24 H new ATOM 0 HD2 PHE A 847 21.784 21.473 27.440 1.00 22.94 H new ATOM 0 HE1 PHE A 847 24.590 24.812 29.034 1.00 23.21 H new ATOM 0 HE2 PHE A 847 21.477 23.680 26.749 1.00 26.33 H new ATOM 0 HZ PHE A 847 22.934 25.328 27.498 1.00 23.12 H new ATOM 1259 N TYR A 848 20.791 19.649 30.318 1.00 22.97 N ATOM 1260 CA TYR A 848 19.388 19.920 30.322 1.00 25.38 C ATOM 1261 C TYR A 848 18.730 19.636 31.654 1.00 32.54 C ATOM 1262 O TYR A 848 17.579 20.003 31.819 1.00 46.57 O ATOM 1263 CB TYR A 848 18.688 19.232 29.162 1.00 24.60 C ATOM 1264 CG TYR A 848 19.047 19.883 27.841 1.00 24.45 C ATOM 1265 CD1 TYR A 848 18.514 21.113 27.482 1.00 23.58 C ATOM 1266 CD2 TYR A 848 19.914 19.303 26.973 1.00 20.68 C ATOM 1267 CE1 TYR A 848 18.816 21.686 26.292 1.00 22.20 C ATOM 1268 CE2 TYR A 848 20.206 19.843 25.766 1.00 20.27 C ATOM 1269 CZ TYR A 848 19.709 21.076 25.449 1.00 23.24 C ATOM 1270 OH TYR A 848 20.014 21.638 24.209 1.00 27.19 O ATOM 0 H TYR A 848 21.001 18.867 30.028 1.00 22.97 H new ATOM 0 HA TYR A 848 19.289 20.876 30.190 1.00 25.38 H new ATOM 0 HB2 TYR A 848 18.936 18.294 29.141 1.00 24.60 H new ATOM 0 HB3 TYR A 848 17.728 19.268 29.293 1.00 24.60 H new ATOM 0 HD1 TYR A 848 17.940 21.551 28.068 1.00 23.58 H new ATOM 0 HD2 TYR A 848 20.323 18.504 27.216 1.00 20.68 H new ATOM 0 HE1 TYR A 848 18.419 22.491 26.048 1.00 22.20 H new ATOM 0 HE2 TYR A 848 20.738 19.380 25.160 1.00 20.27 H new ATOM 0 HH TYR A 848 19.940 22.474 24.254 1.00 27.19 H new ATOM 1271 N ARG A 849 19.446 19.084 32.627 1.00 33.56 N ATOM 1272 CA ARG A 849 19.020 19.129 34.053 1.00 48.08 C ATOM 1273 C ARG A 849 17.575 18.638 34.213 1.00 45.13 C ATOM 1274 O ARG A 849 17.290 17.501 33.886 1.00 46.58 O ATOM 1275 CB ARG A 849 19.120 20.553 34.639 1.00 56.61 C ATOM 1276 CG ARG A 849 20.441 21.260 34.552 1.00 67.81 C ATOM 1277 CD ARG A 849 21.445 20.673 35.500 1.00 72.35 C ATOM 1278 NE ARG A 849 22.525 21.642 35.715 1.00 77.57 N ATOM 1279 CZ ARG A 849 22.644 22.445 36.770 1.00 71.72 C ATOM 1280 NH1 ARG A 849 21.764 22.422 37.761 1.00 71.05 N ATOM 1281 NH2 ARG A 849 23.674 23.277 36.839 1.00 76.05 N ATOM 0 H ARG A 849 20.189 18.672 32.496 1.00 33.56 H new ATOM 0 HA ARG A 849 19.624 18.544 34.537 1.00 48.08 H new ATOM 0 HB2 ARG A 849 18.458 21.105 34.194 1.00 56.61 H new ATOM 0 HB3 ARG A 849 18.868 20.508 35.575 1.00 56.61 H new ATOM 0 HG2 ARG A 849 20.780 21.204 33.645 1.00 67.81 H new ATOM 0 HG3 ARG A 849 20.319 22.201 34.751 1.00 67.81 H new ATOM 0 HD2 ARG A 849 21.020 20.453 36.344 1.00 72.35 H new ATOM 0 HD3 ARG A 849 21.803 19.847 35.139 1.00 72.35 H new ATOM 0 HE ARG A 849 23.132 21.696 35.109 1.00 77.57 H new ATOM 0 HH11 ARG A 849 21.097 21.880 37.732 1.00 71.05 H new ATOM 0 HH12 ARG A 849 21.860 22.949 38.433 1.00 71.05 H new ATOM 0 HH21 ARG A 849 24.256 23.294 36.206 1.00 76.05 H new ATOM 0 HH22 ARG A 849 23.760 23.800 37.516 1.00 76.05 H new ATOM 1282 N GLU A 850 16.658 19.504 34.641 1.00 43.40 N ATOM 1283 CA GLU A 850 15.320 19.062 34.942 1.00 46.09 C ATOM 1284 C GLU A 850 14.400 19.328 33.772 1.00 37.35 C ATOM 1285 O GLU A 850 13.245 18.955 33.870 1.00 40.55 O ATOM 1286 CB GLU A 850 14.767 19.750 36.214 1.00 54.03 C ATOM 1287 CG GLU A 850 15.645 19.652 37.473 1.00 62.13 C ATOM 1288 CD GLU A 850 16.018 18.225 37.838 1.00 68.69 C ATOM 1289 OE1 GLU A 850 15.151 17.547 38.420 1.00 78.61 O ATOM 1290 OE2 GLU A 850 17.171 17.781 37.558 1.00 76.37 O ATOM 0 H GLU A 850 16.798 20.344 34.760 1.00 43.40 H new ATOM 0 HA GLU A 850 15.358 18.107 35.108 1.00 46.09 H new ATOM 0 HB2 GLU A 850 14.622 20.688 36.015 1.00 54.03 H new ATOM 0 HB3 GLU A 850 13.900 19.366 36.416 1.00 54.03 H new ATOM 0 HG2 GLU A 850 16.456 20.166 37.335 1.00 62.13 H new ATOM 0 HG3 GLU A 850 15.176 20.058 38.219 1.00 62.13 H new ATOM 1291 N ASP A 851 14.849 19.979 32.689 1.00 30.62 N ATOM 1292 CA ASP A 851 13.993 20.117 31.522 1.00 27.25 C ATOM 1293 C ASP A 851 13.631 18.730 31.041 1.00 28.84 C ATOM 1294 O ASP A 851 14.494 17.827 30.997 1.00 24.52 O ATOM 1295 CB ASP A 851 14.691 20.881 30.388 1.00 32.85 C ATOM 1296 CG ASP A 851 13.730 21.392 29.295 1.00 34.85 C ATOM 1297 OD1 ASP A 851 13.079 20.604 28.542 1.00 29.61 O ATOM 1298 OD2 ASP A 851 13.745 22.640 29.084 1.00 34.18 O ATOM 0 H ASP A 851 15.628 20.337 32.618 1.00 30.62 H new ATOM 0 HA ASP A 851 13.203 20.622 31.771 1.00 27.25 H new ATOM 0 HB2 ASP A 851 15.169 21.636 30.765 1.00 32.85 H new ATOM 0 HB3 ASP A 851 15.353 20.302 29.979 1.00 32.85 H new ATOM 1299 N LYS A 852 12.405 18.592 30.553 1.00 24.58 N ATOM 1300 CA LYS A 852 11.933 17.315 30.074 1.00 25.52 C ATOM 1301 C LYS A 852 12.715 16.853 28.815 1.00 23.83 C ATOM 1302 O LYS A 852 12.687 15.649 28.451 1.00 21.83 O ATOM 1303 CB LYS A 852 10.452 17.364 29.777 1.00 27.16 C ATOM 1304 CG LYS A 852 10.053 18.287 28.643 1.00 30.71 C ATOM 1305 CD LYS A 852 8.555 18.518 28.566 1.00 36.33 C ATOM 1306 CE LYS A 852 8.229 19.583 27.489 1.00 34.21 C ATOM 1307 NZ LYS A 852 6.773 19.727 27.234 1.00 29.55 N ATOM 0 H LYS A 852 11.833 19.232 30.493 1.00 24.58 H new ATOM 0 HA LYS A 852 12.089 16.668 30.780 1.00 25.52 H new ATOM 0 HB2 LYS A 852 10.149 16.467 29.567 1.00 27.16 H new ATOM 0 HB3 LYS A 852 9.984 17.641 30.580 1.00 27.16 H new ATOM 0 HG2 LYS A 852 10.502 19.140 28.754 1.00 30.71 H new ATOM 0 HG3 LYS A 852 10.361 17.911 27.803 1.00 30.71 H new ATOM 0 HD2 LYS A 852 8.104 17.686 28.354 1.00 36.33 H new ATOM 0 HD3 LYS A 852 8.222 18.809 29.429 1.00 36.33 H new ATOM 0 HE2 LYS A 852 8.589 20.439 27.769 1.00 34.21 H new ATOM 0 HE3 LYS A 852 8.675 19.345 26.661 1.00 34.21 H new ATOM 0 HZ1 LYS A 852 6.647 20.175 26.476 1.00 29.55 H new ATOM 0 HZ2 LYS A 852 6.402 18.921 27.167 1.00 29.55 H new ATOM 0 HZ3 LYS A 852 6.396 20.171 27.907 1.00 29.55 H new ATOM 1308 N PHE A 853 13.412 17.784 28.193 1.00 22.11 N ATOM 1309 CA PHE A 853 14.208 17.466 26.993 1.00 22.68 C ATOM 1310 C PHE A 853 15.325 16.475 27.347 1.00 19.86 C ATOM 1311 O PHE A 853 15.793 15.742 26.487 1.00 17.94 O ATOM 1312 CB PHE A 853 14.708 18.743 26.366 1.00 22.63 C ATOM 1313 CG PHE A 853 15.362 18.584 25.022 1.00 22.38 C ATOM 1314 CD1 PHE A 853 14.659 18.073 23.949 1.00 25.12 C ATOM 1315 CD2 PHE A 853 16.672 19.003 24.811 1.00 23.12 C ATOM 1316 CE1 PHE A 853 15.259 17.967 22.706 1.00 24.26 C ATOM 1317 CE2 PHE A 853 17.249 18.937 23.548 1.00 24.93 C ATOM 1318 CZ PHE A 853 16.548 18.406 22.508 1.00 24.26 C ATOM 0 H PHE A 853 13.446 18.608 28.438 1.00 22.11 H new ATOM 0 HA PHE A 853 13.658 17.025 26.327 1.00 22.68 H new ATOM 0 HB2 PHE A 853 13.962 19.356 26.276 1.00 22.63 H new ATOM 0 HB3 PHE A 853 15.343 19.157 26.972 1.00 22.63 H new ATOM 0 HD1 PHE A 853 13.778 17.799 24.062 1.00 25.12 H new ATOM 0 HD2 PHE A 853 17.169 19.332 25.525 1.00 23.12 H new ATOM 0 HE1 PHE A 853 14.786 17.595 21.997 1.00 24.26 H new ATOM 0 HE2 PHE A 853 18.113 19.255 23.413 1.00 24.93 H new ATOM 0 HZ PHE A 853 16.939 18.340 21.667 1.00 24.26 H new ATOM 1319 N THR A 854 15.694 16.396 28.599 1.00 19.59 N ATOM 1320 CA ATHR A 854 16.633 15.384 29.100 0.37 21.49 C ATOM 1321 CA BTHR A 854 16.652 15.366 29.024 0.63 21.06 C ATOM 1322 C THR A 854 16.258 13.981 28.606 1.00 22.06 C ATOM 1323 O THR A 854 17.127 13.140 28.383 1.00 21.90 O ATOM 1324 CB ATHR A 854 16.709 15.437 30.667 0.37 23.22 C ATOM 1325 CB BTHR A 854 16.837 15.293 30.554 0.63 22.70 C ATOM 1326 OG1ATHR A 854 17.809 14.668 31.160 0.37 22.97 O ATOM 1327 OG1BTHR A 854 15.583 15.000 31.180 0.63 28.84 O ATOM 1328 CG2ATHR A 854 15.433 14.893 31.311 0.37 24.48 C ATOM 1329 CG2BTHR A 854 17.394 16.533 31.084 0.63 19.23 C ATOM 0 H ATHR A 854 15.409 16.933 29.207 0.37 19.59 H new ATOM 0 H BTHR A 854 15.415 16.915 29.225 0.63 19.59 H new ATOM 0 HA ATHR A 854 17.514 15.586 28.747 0.37 21.06 H new ATOM 0 HA BTHR A 854 17.472 15.645 28.587 0.63 21.06 H new ATOM 0 HB ATHR A 854 16.823 16.371 30.901 0.37 22.70 H new ATOM 0 HB BTHR A 854 17.467 14.582 30.750 0.63 22.70 H new ATOM 0 HG1ATHR A 854 17.829 14.713 31.999 0.37 28.84 H new ATOM 0 HG1BTHR A 854 15.120 15.700 31.222 0.63 28.84 H new ATOM 0 HG21ATHR A 854 15.512 14.940 32.277 0.37 19.23 H new ATOM 0 HG21BTHR A 854 17.498 16.456 32.045 0.63 19.23 H new ATOM 0 HG22ATHR A 854 14.674 15.424 31.023 0.37 19.23 H new ATOM 0 HG22BTHR A 854 18.259 16.699 30.678 0.63 19.23 H new ATOM 0 HG23ATHR A 854 15.303 13.970 31.042 0.37 19.23 H new ATOM 0 HG23BTHR A 854 16.796 17.269 30.882 0.63 19.23 H new ATOM 1330 N ARG A 855 14.960 13.710 28.486 1.00 22.08 N ATOM 1331 CA ARG A 855 14.522 12.391 28.120 1.00 23.31 C ATOM 1332 C ARG A 855 14.951 11.897 26.744 1.00 21.49 C ATOM 1333 O ARG A 855 15.085 10.668 26.517 1.00 18.08 O ATOM 1334 CB ARG A 855 12.997 12.311 28.276 1.00 30.21 C ATOM 1335 CG ARG A 855 12.322 11.003 27.882 1.00 39.41 C ATOM 1336 CD ARG A 855 10.902 10.915 28.489 1.00 48.50 C ATOM 1337 NE ARG A 855 10.148 9.722 28.037 1.00 52.07 N ATOM 1338 CZ ARG A 855 9.228 9.691 27.057 1.00 55.85 C ATOM 1339 NH1 ARG A 855 8.881 10.788 26.349 1.00 50.94 N ATOM 1340 NH2 ARG A 855 8.633 8.529 26.771 1.00 54.73 N ATOM 0 H ARG A 855 14.329 14.280 28.614 1.00 22.08 H new ATOM 0 HA ARG A 855 14.976 11.788 28.729 1.00 23.31 H new ATOM 0 HB2 ARG A 855 12.780 12.493 29.204 1.00 30.21 H new ATOM 0 HB3 ARG A 855 12.603 13.023 27.748 1.00 30.21 H new ATOM 0 HG2 ARG A 855 12.270 10.939 26.916 1.00 39.41 H new ATOM 0 HG3 ARG A 855 12.856 10.253 28.188 1.00 39.41 H new ATOM 0 HD2 ARG A 855 10.970 10.900 29.456 1.00 48.50 H new ATOM 0 HD3 ARG A 855 10.405 11.714 28.252 1.00 48.50 H new ATOM 0 HE ARG A 855 10.314 8.980 28.439 1.00 52.07 H new ATOM 0 HH11 ARG A 855 9.253 11.545 26.518 1.00 50.94 H new ATOM 0 HH12 ARG A 855 8.288 10.730 25.729 1.00 50.94 H new ATOM 0 HH21 ARG A 855 8.841 7.820 27.211 1.00 54.73 H new ATOM 0 HH22 ARG A 855 8.042 8.491 26.147 1.00 54.73 H new ATOM 1341 N LEU A 856 15.165 12.822 25.838 1.00 18.89 N ATOM 1342 CA LEU A 856 15.728 12.406 24.536 1.00 21.86 C ATOM 1343 C LEU A 856 17.105 11.739 24.683 1.00 17.91 C ATOM 1344 O LEU A 856 17.393 10.814 23.961 1.00 20.15 O ATOM 1345 CB LEU A 856 15.879 13.590 23.600 1.00 21.62 C ATOM 1346 CG LEU A 856 14.668 14.071 22.783 1.00 24.54 C ATOM 1347 CD1 LEU A 856 14.259 13.067 21.741 1.00 29.05 C ATOM 1348 CD2 LEU A 856 13.502 14.402 23.654 1.00 26.13 C ATOM 0 H LEU A 856 15.006 13.662 25.930 1.00 18.89 H new ATOM 0 HA LEU A 856 15.100 11.764 24.169 1.00 21.86 H new ATOM 0 HB2 LEU A 856 16.189 14.341 24.130 1.00 21.62 H new ATOM 0 HB3 LEU A 856 16.586 13.375 22.972 1.00 21.62 H new ATOM 0 HG LEU A 856 14.952 14.882 22.332 1.00 24.54 H new ATOM 0 HD11 LEU A 856 13.495 13.405 21.248 1.00 29.05 H new ATOM 0 HD12 LEU A 856 14.997 12.916 21.130 1.00 29.05 H new ATOM 0 HD13 LEU A 856 14.021 12.231 22.172 1.00 29.05 H new ATOM 0 HD21 LEU A 856 12.761 14.700 23.104 1.00 26.13 H new ATOM 0 HD22 LEU A 856 13.237 13.614 24.153 1.00 26.13 H new ATOM 0 HD23 LEU A 856 13.750 15.107 24.272 1.00 26.13 H new ATOM 1349 N GLY A 857 17.945 12.184 25.602 1.00 19.74 N ATOM 1350 CA GLY A 857 19.175 11.505 25.845 1.00 19.29 C ATOM 1351 C GLY A 857 19.000 10.112 26.407 1.00 19.77 C ATOM 1352 O GLY A 857 19.760 9.168 26.037 1.00 19.87 O ATOM 0 H GLY A 857 17.811 12.879 26.090 1.00 19.74 H new ATOM 0 HA2 GLY A 857 19.674 11.450 25.015 1.00 19.29 H new ATOM 0 HA3 GLY A 857 19.708 12.030 26.463 1.00 19.29 H new ATOM 1353 N ILE A 858 18.081 9.988 27.352 1.00 20.63 N ATOM 1354 CA ILE A 858 17.739 8.654 27.903 1.00 20.80 C ATOM 1355 C ILE A 858 17.238 7.680 26.836 1.00 19.91 C ATOM 1356 O ILE A 858 17.645 6.502 26.771 1.00 20.05 O ATOM 1357 CB ILE A 858 16.693 8.744 29.044 1.00 22.69 C ATOM 1358 CG1 ILE A 858 17.356 9.414 30.246 1.00 26.29 C ATOM 1359 CG2 ILE A 858 16.168 7.328 29.392 1.00 23.92 C ATOM 1360 CD1 ILE A 858 16.436 9.965 31.291 1.00 30.36 C ATOM 0 H ILE A 858 17.642 10.644 27.693 1.00 20.63 H new ATOM 0 HA ILE A 858 18.571 8.309 28.262 1.00 20.80 H new ATOM 0 HB ILE A 858 15.928 9.274 28.770 1.00 22.69 H new ATOM 0 HG12 ILE A 858 17.944 8.768 30.668 1.00 26.29 H new ATOM 0 HG13 ILE A 858 17.915 10.137 29.921 1.00 26.29 H new ATOM 0 HG21 ILE A 858 15.514 7.391 30.106 1.00 23.92 H new ATOM 0 HG22 ILE A 858 15.753 6.935 28.608 1.00 23.92 H new ATOM 0 HG23 ILE A 858 16.908 6.770 29.680 1.00 23.92 H new ATOM 0 HD11 ILE A 858 16.958 10.365 32.004 1.00 30.36 H new ATOM 0 HD12 ILE A 858 15.862 10.639 30.894 1.00 30.36 H new ATOM 0 HD13 ILE A 858 15.891 9.249 31.653 1.00 30.36 H new ATOM 1361 N GLN A 859 16.378 8.178 25.974 1.00 17.46 N ATOM 1362 CA GLN A 859 15.854 7.408 24.911 1.00 19.95 C ATOM 1363 C GLN A 859 16.839 6.941 23.893 1.00 17.98 C ATOM 1364 O GLN A 859 16.877 5.718 23.514 1.00 18.59 O ATOM 1365 CB GLN A 859 14.736 8.176 24.201 1.00 22.21 C ATOM 1366 CG GLN A 859 13.529 8.301 25.070 1.00 26.63 C ATOM 1367 CD GLN A 859 12.488 9.164 24.450 1.00 28.43 C ATOM 1368 OE1 GLN A 859 12.791 10.152 23.736 1.00 27.54 O ATOM 1369 NE2 GLN A 859 11.232 8.760 24.662 1.00 33.39 N ATOM 0 H GLN A 859 16.086 8.987 26.002 1.00 17.46 H new ATOM 0 HA GLN A 859 15.524 6.604 25.343 1.00 19.95 H new ATOM 0 HB2 GLN A 859 15.053 9.059 23.955 1.00 22.21 H new ATOM 0 HB3 GLN A 859 14.499 7.720 23.378 1.00 22.21 H new ATOM 0 HG2 GLN A 859 13.160 7.420 25.239 1.00 26.63 H new ATOM 0 HG3 GLN A 859 13.786 8.671 25.929 1.00 26.63 H new ATOM 0 HE21 GLN A 859 11.079 8.076 25.160 1.00 33.39 H new ATOM 0 HE22 GLN A 859 10.577 9.184 24.300 1.00 33.39 H new ATOM 1370 N VAL A 860 17.701 7.832 23.430 1.00 17.80 N ATOM 1371 CA VAL A 860 18.695 7.462 22.452 1.00 16.69 C ATOM 1372 C VAL A 860 19.819 6.597 23.087 1.00 17.55 C ATOM 1373 O VAL A 860 20.207 5.601 22.496 1.00 18.21 O ATOM 1374 CB VAL A 860 19.223 8.627 21.697 1.00 17.69 C ATOM 1375 CG1 VAL A 860 20.206 8.127 20.633 1.00 16.40 C ATOM 1376 CG2 VAL A 860 18.072 9.351 21.012 1.00 16.42 C ATOM 0 H VAL A 860 17.724 8.657 23.673 1.00 17.80 H new ATOM 0 HA VAL A 860 18.250 6.909 21.791 1.00 16.69 H new ATOM 0 HB VAL A 860 19.673 9.234 22.305 1.00 17.69 H new ATOM 0 HG11 VAL A 860 20.556 8.882 20.135 1.00 16.40 H new ATOM 0 HG12 VAL A 860 20.938 7.657 21.063 1.00 16.40 H new ATOM 0 HG13 VAL A 860 19.748 7.525 20.026 1.00 16.40 H new ATOM 0 HG21 VAL A 860 18.416 10.112 20.519 1.00 16.42 H new ATOM 0 HG22 VAL A 860 17.626 8.744 20.400 1.00 16.42 H new ATOM 0 HG23 VAL A 860 17.439 9.658 21.680 1.00 16.42 H new ATOM 1377 N GLN A 861 20.176 6.858 24.341 1.00 17.02 N ATOM 1378 CA GLN A 861 21.134 6.013 25.031 1.00 17.54 C ATOM 1379 C GLN A 861 20.596 4.581 25.139 1.00 17.56 C ATOM 1380 O GLN A 861 21.369 3.630 25.008 1.00 18.14 O ATOM 1381 CB GLN A 861 21.503 6.572 26.407 1.00 19.94 C ATOM 1382 CG GLN A 861 22.480 5.560 27.087 1.00 24.58 C ATOM 1383 CD GLN A 861 23.451 6.116 28.081 1.00 30.98 C ATOM 1384 OE1 GLN A 861 23.194 7.157 28.672 1.00 30.79 O ATOM 1385 NE2 GLN A 861 24.609 5.384 28.302 1.00 31.39 N ATOM 0 H GLN A 861 19.875 7.517 24.805 1.00 17.02 H new ATOM 0 HA GLN A 861 21.950 5.999 24.507 1.00 17.54 H new ATOM 0 HB2 GLN A 861 21.922 7.442 26.319 1.00 19.94 H new ATOM 0 HB3 GLN A 861 20.708 6.693 26.949 1.00 19.94 H new ATOM 0 HG2 GLN A 861 21.949 4.881 27.532 1.00 24.58 H new ATOM 0 HG3 GLN A 861 22.985 5.114 26.390 1.00 24.58 H new ATOM 0 HE21 GLN A 861 24.749 4.657 27.864 1.00 31.39 H new ATOM 0 HE22 GLN A 861 25.187 5.657 28.877 1.00 31.39 H new ATOM 1386 N ASP A 862 19.319 4.414 25.418 1.00 19.36 N ATOM 1387 CA AASP A 862 18.709 3.057 25.474 0.49 21.57 C ATOM 1388 CA BASP A 862 18.743 3.050 25.492 0.51 22.03 C ATOM 1389 C ASP A 862 18.843 2.306 24.157 1.00 21.89 C ATOM 1390 O ASP A 862 19.091 1.073 24.137 1.00 19.05 O ATOM 1391 CB AASP A 862 17.244 3.124 25.868 0.49 21.94 C ATOM 1392 CB BASP A 862 17.317 3.110 26.011 0.51 22.34 C ATOM 1393 CG AASP A 862 17.038 3.478 27.320 0.49 25.51 C ATOM 1394 CG BASP A 862 16.760 1.737 26.413 0.51 27.46 C ATOM 1395 OD1AASP A 862 18.007 3.487 28.089 0.49 24.86 O ATOM 1396 OD1BASP A 862 17.442 0.950 27.104 0.51 29.37 O ATOM 1397 OD2AASP A 862 15.878 3.756 27.713 0.49 29.51 O ATOM 1398 OD2BASP A 862 15.610 1.475 26.080 0.51 26.02 O ATOM 0 H AASP A 862 18.773 5.058 25.581 0.49 19.36 H new ATOM 0 H BASP A 862 18.763 5.053 25.568 0.51 19.36 H new ATOM 0 HA AASP A 862 19.202 2.570 26.153 0.49 22.03 H new ATOM 0 HA BASP A 862 19.270 2.535 26.122 0.51 22.03 H new ATOM 0 HB2AASP A 862 16.795 3.781 25.314 0.49 22.34 H new ATOM 0 HB2BASP A 862 17.283 3.703 26.778 0.51 22.34 H new ATOM 0 HB3AASP A 862 16.826 2.267 25.687 0.49 22.34 H new ATOM 0 HB3BASP A 862 16.747 3.496 25.328 0.51 22.34 H new ATOM 1399 N ILE A 863 18.664 3.022 23.025 1.00 18.01 N ATOM 1400 CA ILE A 863 18.884 2.404 21.734 1.00 18.71 C ATOM 1401 C ILE A 863 20.320 1.996 21.555 1.00 16.73 C ATOM 1402 O ILE A 863 20.614 0.846 21.156 1.00 16.29 O ATOM 1403 CB ILE A 863 18.481 3.368 20.550 1.00 20.68 C ATOM 1404 CG1 ILE A 863 17.009 3.712 20.631 1.00 24.76 C ATOM 1405 CG2 ILE A 863 18.871 2.762 19.209 1.00 22.91 C ATOM 1406 CD1 ILE A 863 16.118 2.555 20.458 1.00 27.35 C ATOM 0 H ILE A 863 18.421 3.847 22.999 1.00 18.01 H new ATOM 0 HA ILE A 863 18.320 1.615 21.711 1.00 18.71 H new ATOM 0 HB ILE A 863 18.972 4.200 20.633 1.00 20.68 H new ATOM 0 HG12 ILE A 863 16.828 4.123 21.491 1.00 24.76 H new ATOM 0 HG13 ILE A 863 16.802 4.373 19.952 1.00 24.76 H new ATOM 0 HG21 ILE A 863 18.616 3.366 18.494 1.00 22.91 H new ATOM 0 HG22 ILE A 863 19.830 2.619 19.185 1.00 22.91 H new ATOM 0 HG23 ILE A 863 18.415 1.914 19.092 1.00 22.91 H new ATOM 0 HD11 ILE A 863 15.195 2.845 20.521 1.00 27.35 H new ATOM 0 HD12 ILE A 863 16.272 2.155 19.588 1.00 27.35 H new ATOM 0 HD13 ILE A 863 16.299 1.901 21.151 1.00 27.35 H new ATOM 1407 N PHE A 864 21.252 2.880 21.899 1.00 16.43 N ATOM 1408 CA PHE A 864 22.683 2.531 21.862 1.00 15.75 C ATOM 1409 C PHE A 864 23.004 1.260 22.727 1.00 16.17 C ATOM 1410 O PHE A 864 23.626 0.336 22.220 1.00 15.09 O ATOM 1411 CB PHE A 864 23.549 3.695 22.377 1.00 17.12 C ATOM 1412 CG PHE A 864 24.967 3.378 22.515 1.00 14.28 C ATOM 1413 CD1 PHE A 864 25.760 3.127 21.423 1.00 15.44 C ATOM 1414 CD2 PHE A 864 25.496 3.155 23.787 1.00 16.70 C ATOM 1415 CE1 PHE A 864 27.091 2.794 21.571 1.00 16.76 C ATOM 1416 CE2 PHE A 864 26.808 2.758 23.936 1.00 17.28 C ATOM 1417 CZ PHE A 864 27.631 2.605 22.840 1.00 15.17 C ATOM 0 H PHE A 864 21.085 3.684 22.156 1.00 16.43 H new ATOM 0 HA PHE A 864 22.891 2.344 20.933 1.00 15.75 H new ATOM 0 HB2 PHE A 864 23.455 4.446 21.771 1.00 17.12 H new ATOM 0 HB3 PHE A 864 23.208 3.981 23.239 1.00 17.12 H new ATOM 0 HD1 PHE A 864 25.394 3.182 20.570 1.00 15.44 H new ATOM 0 HD2 PHE A 864 24.961 3.275 24.538 1.00 16.70 H new ATOM 0 HE1 PHE A 864 27.630 2.695 20.819 1.00 16.76 H new ATOM 0 HE2 PHE A 864 27.143 2.591 24.788 1.00 17.28 H new ATOM 0 HZ PHE A 864 28.527 2.380 22.946 1.00 15.17 H new ATOM 1418 N GLU A 865 22.538 1.241 23.966 1.00 16.17 N ATOM 1419 CA GLU A 865 22.917 0.197 24.913 1.00 18.80 C ATOM 1420 C GLU A 865 22.343 -1.180 24.532 1.00 18.10 C ATOM 1421 O GLU A 865 23.026 -2.211 24.603 1.00 19.25 O ATOM 1422 CB GLU A 865 22.479 0.574 26.310 1.00 20.86 C ATOM 1423 CG GLU A 865 23.267 1.704 26.948 1.00 22.57 C ATOM 1424 CD GLU A 865 24.758 1.545 27.103 1.00 25.21 C ATOM 1425 OE1 GLU A 865 25.321 0.443 27.092 1.00 22.90 O ATOM 1426 OE2 GLU A 865 25.437 2.580 27.321 1.00 21.54 O ATOM 0 H GLU A 865 21.996 1.828 24.284 1.00 16.17 H new ATOM 0 HA GLU A 865 23.884 0.123 24.884 1.00 18.80 H new ATOM 0 HB2 GLU A 865 21.543 0.826 26.284 1.00 20.86 H new ATOM 0 HB3 GLU A 865 22.546 -0.210 26.878 1.00 20.86 H new ATOM 0 HG2 GLU A 865 23.109 2.506 26.425 1.00 22.57 H new ATOM 0 HG3 GLU A 865 22.894 1.862 27.829 1.00 22.57 H new ATOM 1427 N LYS A 866 21.103 -1.193 24.127 1.00 18.66 N ATOM 1428 CA LYS A 866 20.451 -2.431 23.612 1.00 19.15 C ATOM 1429 C LYS A 866 21.215 -2.996 22.414 1.00 19.86 C ATOM 1430 O LYS A 866 21.482 -4.203 22.341 1.00 18.24 O ATOM 1431 CB LYS A 866 19.003 -2.169 23.184 1.00 23.06 C ATOM 1432 CG LYS A 866 18.001 -2.164 24.311 1.00 31.09 C ATOM 1433 CD LYS A 866 16.573 -1.893 23.772 1.00 36.00 C ATOM 1434 CE LYS A 866 15.595 -1.478 24.878 1.00 42.41 C ATOM 1435 NZ LYS A 866 14.940 -2.695 25.431 1.00 47.42 N ATOM 0 H LYS A 866 20.592 -0.501 24.131 1.00 18.66 H new ATOM 0 HA LYS A 866 20.459 -3.072 24.340 1.00 19.15 H new ATOM 0 HB2 LYS A 866 18.963 -1.313 22.729 1.00 23.06 H new ATOM 0 HB3 LYS A 866 18.742 -2.845 22.539 1.00 23.06 H new ATOM 0 HG2 LYS A 866 18.021 -3.017 24.772 1.00 31.09 H new ATOM 0 HG3 LYS A 866 18.241 -1.485 24.961 1.00 31.09 H new ATOM 0 HD2 LYS A 866 16.612 -1.194 23.100 1.00 36.00 H new ATOM 0 HD3 LYS A 866 16.240 -2.691 23.333 1.00 36.00 H new ATOM 0 HE2 LYS A 866 16.066 -1.003 25.580 1.00 42.41 H new ATOM 0 HE3 LYS A 866 14.927 -0.870 24.523 1.00 42.41 H new ATOM 0 HZ1 LYS A 866 14.371 -2.460 26.074 1.00 47.42 H new ATOM 0 HZ2 LYS A 866 14.498 -3.115 24.783 1.00 47.42 H new ATOM 0 HZ3 LYS A 866 15.559 -3.239 25.768 1.00 47.42 H new ATOM 1436 N ASN A 867 21.558 -2.127 21.449 1.00 16.96 N ATOM 1437 CA ASN A 867 22.284 -2.554 20.290 1.00 19.62 C ATOM 1438 C ASN A 867 23.735 -3.002 20.634 1.00 18.50 C ATOM 1439 O ASN A 867 24.206 -3.941 20.016 1.00 18.17 O ATOM 1440 CB ASN A 867 22.243 -1.508 19.159 1.00 18.36 C ATOM 1441 CG ASN A 867 20.903 -1.561 18.385 1.00 21.25 C ATOM 1442 OD1 ASN A 867 20.704 -2.439 17.568 1.00 21.97 O ATOM 1443 ND2 ASN A 867 19.965 -0.661 18.698 1.00 21.93 N ATOM 0 H ASN A 867 21.370 -1.288 21.465 1.00 16.96 H new ATOM 0 HA ASN A 867 21.829 -3.341 19.952 1.00 19.62 H new ATOM 0 HB2 ASN A 867 22.368 -0.621 19.532 1.00 18.36 H new ATOM 0 HB3 ASN A 867 22.978 -1.664 18.546 1.00 18.36 H new ATOM 0 HD21 ASN A 867 19.194 -0.693 18.318 1.00 21.93 H new ATOM 0 HD22 ASN A 867 20.132 -0.050 19.280 1.00 21.93 H new ATOM 1444 N PHE A 868 24.400 -2.291 21.593 1.00 16.33 N ATOM 1445 CA PHE A 868 25.694 -2.694 22.063 1.00 15.86 C ATOM 1446 C PHE A 868 25.648 -4.116 22.603 1.00 16.69 C ATOM 1447 O PHE A 868 26.471 -4.974 22.207 1.00 16.12 O ATOM 1448 CB PHE A 868 26.177 -1.729 23.132 1.00 16.35 C ATOM 1449 CG PHE A 868 27.468 -2.136 23.773 1.00 18.44 C ATOM 1450 CD1 PHE A 868 28.643 -2.157 23.053 1.00 17.25 C ATOM 1451 CD2 PHE A 868 27.458 -2.645 25.079 1.00 21.83 C ATOM 1452 CE1 PHE A 868 29.882 -2.543 23.635 1.00 19.17 C ATOM 1453 CE2 PHE A 868 28.633 -3.077 25.665 1.00 24.43 C ATOM 1454 CZ PHE A 868 29.868 -2.993 24.961 1.00 22.24 C ATOM 0 H PHE A 868 24.093 -1.578 21.963 1.00 16.33 H new ATOM 0 HA PHE A 868 26.318 -2.676 21.321 1.00 15.86 H new ATOM 0 HB2 PHE A 868 26.284 -0.849 22.737 1.00 16.35 H new ATOM 0 HB3 PHE A 868 25.495 -1.651 23.818 1.00 16.35 H new ATOM 0 HD1 PHE A 868 28.625 -1.910 22.156 1.00 17.25 H new ATOM 0 HD2 PHE A 868 26.659 -2.692 25.552 1.00 21.83 H new ATOM 0 HE1 PHE A 868 30.675 -2.498 23.151 1.00 19.17 H new ATOM 0 HE2 PHE A 868 28.617 -3.426 26.527 1.00 24.43 H new ATOM 0 HZ PHE A 868 30.662 -3.236 25.380 1.00 22.24 H new ATOM 1455 N ARG A 869 24.680 -4.380 23.469 1.00 16.96 N ATOM 1456 CA ARG A 869 24.548 -5.733 24.109 1.00 19.58 C ATOM 1457 C ARG A 869 24.260 -6.822 23.030 1.00 23.14 C ATOM 1458 O ARG A 869 24.812 -7.918 23.094 1.00 21.22 O ATOM 1459 CB ARG A 869 23.435 -5.735 25.121 1.00 20.25 C ATOM 1460 CG ARG A 869 23.844 -4.981 26.359 1.00 20.87 C ATOM 1461 CD ARG A 869 22.896 -5.113 27.534 1.00 21.49 C ATOM 1462 NE ARG A 869 21.513 -4.802 27.274 1.00 20.43 N ATOM 1463 CZ ARG A 869 20.962 -3.603 27.454 1.00 24.30 C ATOM 1464 NH1 ARG A 869 21.659 -2.561 27.867 1.00 23.48 N ATOM 1465 NH2 ARG A 869 19.685 -3.438 27.183 1.00 29.49 N ATOM 0 H ARG A 869 24.083 -3.811 23.713 1.00 16.96 H new ATOM 0 HA ARG A 869 25.386 -5.934 24.555 1.00 19.58 H new ATOM 0 HB2 ARG A 869 22.641 -5.331 24.737 1.00 20.25 H new ATOM 0 HB3 ARG A 869 23.204 -6.648 25.354 1.00 20.25 H new ATOM 0 HG2 ARG A 869 24.722 -5.289 26.633 1.00 20.87 H new ATOM 0 HG3 ARG A 869 23.930 -4.041 26.135 1.00 20.87 H new ATOM 0 HD2 ARG A 869 22.947 -6.023 27.866 1.00 21.49 H new ATOM 0 HD3 ARG A 869 23.210 -4.534 28.246 1.00 21.49 H new ATOM 0 HE ARG A 869 21.009 -5.435 26.982 1.00 20.43 H new ATOM 0 HH11 ARG A 869 22.499 -2.643 28.030 1.00 23.48 H new ATOM 0 HH12 ARG A 869 21.273 -1.800 27.973 1.00 23.48 H new ATOM 0 HH21 ARG A 869 19.218 -4.100 26.894 1.00 29.49 H new ATOM 0 HH22 ARG A 869 19.318 -2.669 27.295 1.00 29.49 H new ATOM 1466 N ASN A 870 23.485 -6.464 21.984 1.00 19.36 N ATOM 1467 CA ASN A 870 23.183 -7.412 20.897 1.00 23.19 C ATOM 1468 C ASN A 870 24.415 -7.673 20.004 1.00 23.20 C ATOM 1469 O ASN A 870 24.811 -8.825 19.757 1.00 20.68 O ATOM 1470 CB ASN A 870 21.992 -6.923 20.027 1.00 22.20 C ATOM 1471 CG ASN A 870 21.715 -7.855 18.852 1.00 29.67 C ATOM 1472 OD1 ASN A 870 22.079 -7.584 17.718 1.00 34.60 O ATOM 1473 ND2 ASN A 870 21.178 -9.008 19.150 1.00 31.35 N ATOM 0 H ASN A 870 23.131 -5.686 21.889 1.00 19.36 H new ATOM 0 HA ASN A 870 22.933 -8.248 21.321 1.00 23.19 H new ATOM 0 HB2 ASN A 870 21.197 -6.856 20.579 1.00 22.20 H new ATOM 0 HB3 ASN A 870 22.182 -6.032 19.693 1.00 22.20 H new ATOM 0 HD21 ASN A 870 21.072 -9.604 18.539 1.00 31.35 H new ATOM 0 HD22 ASN A 870 20.931 -9.171 19.957 1.00 31.35 H new ATOM 1474 N ILE A 871 25.031 -6.618 19.490 1.00 20.47 N ATOM 1475 CA ILE A 871 26.128 -6.749 18.503 1.00 20.73 C ATOM 1476 C ILE A 871 27.367 -7.425 19.103 1.00 20.64 C ATOM 1477 O ILE A 871 28.080 -8.205 18.427 1.00 19.14 O ATOM 1478 CB ILE A 871 26.477 -5.351 17.912 1.00 20.91 C ATOM 1479 CG1 ILE A 871 25.260 -4.899 17.043 1.00 20.45 C ATOM 1480 CG2 ILE A 871 27.743 -5.386 17.084 1.00 20.07 C ATOM 1481 CD1 ILE A 871 25.266 -3.400 16.711 1.00 21.81 C ATOM 0 H ILE A 871 24.836 -5.806 19.694 1.00 20.47 H new ATOM 0 HA ILE A 871 25.820 -7.325 17.786 1.00 20.73 H new ATOM 0 HB ILE A 871 26.643 -4.723 18.632 1.00 20.91 H new ATOM 0 HG12 ILE A 871 25.257 -5.406 16.216 1.00 20.45 H new ATOM 0 HG13 ILE A 871 24.439 -5.116 17.512 1.00 20.45 H new ATOM 0 HG21 ILE A 871 27.926 -4.500 16.735 1.00 20.07 H new ATOM 0 HG22 ILE A 871 28.485 -5.674 17.639 1.00 20.07 H new ATOM 0 HG23 ILE A 871 27.631 -6.007 16.347 1.00 20.07 H new ATOM 0 HD11 ILE A 871 24.489 -3.185 16.172 1.00 21.81 H new ATOM 0 HD12 ILE A 871 25.242 -2.886 17.533 1.00 21.81 H new ATOM 0 HD13 ILE A 871 26.072 -3.181 16.217 1.00 21.81 H new ATOM 1482 N PHE A 872 27.678 -7.087 20.349 1.00 17.97 N ATOM 1483 CA PHE A 872 28.864 -7.606 20.938 1.00 19.81 C ATOM 1484 C PHE A 872 28.520 -8.795 21.854 1.00 20.97 C ATOM 1485 O PHE A 872 29.396 -9.241 22.585 1.00 22.26 O ATOM 1486 CB PHE A 872 29.637 -6.547 21.697 1.00 18.09 C ATOM 1487 CG PHE A 872 30.316 -5.589 20.813 1.00 18.14 C ATOM 1488 CD1 PHE A 872 31.567 -5.863 20.304 1.00 21.20 C ATOM 1489 CD2 PHE A 872 29.699 -4.396 20.477 1.00 19.78 C ATOM 1490 CE1 PHE A 872 32.232 -4.997 19.473 1.00 20.71 C ATOM 1491 CE2 PHE A 872 30.355 -3.490 19.644 1.00 21.94 C ATOM 1492 CZ PHE A 872 31.619 -3.755 19.158 1.00 20.40 C ATOM 0 H PHE A 872 27.213 -6.566 20.851 1.00 17.97 H new ATOM 0 HA PHE A 872 29.440 -7.913 20.220 1.00 19.81 H new ATOM 0 HB2 PHE A 872 29.030 -6.066 22.281 1.00 18.09 H new ATOM 0 HB3 PHE A 872 30.295 -6.978 22.265 1.00 18.09 H new ATOM 0 HD1 PHE A 872 31.976 -6.666 20.533 1.00 21.20 H new ATOM 0 HD2 PHE A 872 28.851 -4.200 20.805 1.00 19.78 H new ATOM 0 HE1 PHE A 872 33.065 -5.218 19.124 1.00 20.71 H new ATOM 0 HE2 PHE A 872 29.934 -2.694 19.412 1.00 21.94 H new ATOM 0 HZ PHE A 872 32.063 -3.130 18.632 1.00 20.40 H new ATOM 1493 N ALA A 873 27.277 -9.233 21.823 1.00 19.55 N ATOM 1494 CA ALA A 873 26.842 -10.499 22.477 1.00 20.33 C ATOM 1495 C ALA A 873 27.231 -10.476 24.006 1.00 19.82 C ATOM 1496 O ALA A 873 27.864 -11.401 24.571 1.00 20.61 O ATOM 1497 CB ALA A 873 27.508 -11.617 21.743 1.00 20.83 C ATOM 0 H ALA A 873 26.641 -8.815 21.423 1.00 19.55 H new ATOM 0 HA ALA A 873 25.879 -10.612 22.439 1.00 20.33 H new ATOM 0 HB1 ALA A 873 27.250 -12.464 22.139 1.00 20.83 H new ATOM 0 HB2 ALA A 873 27.236 -11.600 20.812 1.00 20.83 H new ATOM 0 HB3 ALA A 873 28.471 -11.514 21.800 1.00 20.83 H new ATOM 1498 N ILE A 874 26.791 -9.430 24.682 1.00 19.39 N ATOM 1499 CA ILE A 874 27.080 -9.252 26.098 1.00 20.97 C ATOM 1500 C ILE A 874 26.215 -10.247 26.832 1.00 24.57 C ATOM 1501 O ILE A 874 25.090 -10.457 26.426 1.00 23.07 O ATOM 1502 CB ILE A 874 26.774 -7.838 26.588 1.00 22.89 C ATOM 1503 CG1 ILE A 874 27.633 -6.843 25.862 1.00 24.31 C ATOM 1504 CG2 ILE A 874 26.946 -7.777 28.090 1.00 26.86 C ATOM 1505 CD1 ILE A 874 29.109 -6.949 26.103 1.00 26.83 C ATOM 0 H ILE A 874 26.316 -8.802 24.336 1.00 19.39 H new ATOM 0 HA ILE A 874 28.026 -9.392 26.259 1.00 20.97 H new ATOM 0 HB ILE A 874 25.853 -7.606 26.392 1.00 22.89 H new ATOM 0 HG12 ILE A 874 27.471 -6.937 24.910 1.00 24.31 H new ATOM 0 HG13 ILE A 874 27.346 -5.951 26.112 1.00 24.31 H new ATOM 0 HG21 ILE A 874 26.752 -6.879 28.402 1.00 26.86 H new ATOM 0 HG22 ILE A 874 26.337 -8.404 28.511 1.00 26.86 H new ATOM 0 HG23 ILE A 874 27.859 -8.009 28.321 1.00 26.86 H new ATOM 0 HD11 ILE A 874 29.570 -6.266 25.591 1.00 26.83 H new ATOM 0 HD12 ILE A 874 29.293 -6.824 27.047 1.00 26.83 H new ATOM 0 HD13 ILE A 874 29.420 -7.825 25.826 1.00 26.83 H new ATOM 1506 N GLN A 875 26.783 -10.932 27.849 1.00 24.80 N ATOM 1507 CA GLN A 875 26.074 -11.967 28.635 1.00 26.62 C ATOM 1508 C GLN A 875 24.829 -11.337 29.225 1.00 24.97 C ATOM 1509 O GLN A 875 24.920 -10.325 29.920 1.00 25.91 O ATOM 1510 CB GLN A 875 26.939 -12.530 29.803 1.00 26.76 C ATOM 1511 CG GLN A 875 26.255 -13.560 30.782 1.00 27.48 C ATOM 1512 CD GLN A 875 25.609 -14.758 30.087 1.00 28.16 C ATOM 1513 OE1 GLN A 875 26.236 -15.429 29.275 1.00 27.38 O ATOM 1514 NE2 GLN A 875 24.327 -14.976 30.337 1.00 28.34 N ATOM 0 H GLN A 875 27.595 -10.806 28.102 1.00 24.80 H new ATOM 0 HA GLN A 875 25.866 -12.705 28.040 1.00 26.62 H new ATOM 0 HB2 GLN A 875 27.721 -12.956 29.418 1.00 26.76 H new ATOM 0 HB3 GLN A 875 27.255 -11.780 30.330 1.00 26.76 H new ATOM 0 HG2 GLN A 875 26.920 -13.884 31.409 1.00 27.48 H new ATOM 0 HG3 GLN A 875 25.578 -13.097 31.300 1.00 27.48 H new ATOM 0 HE21 GLN A 875 23.912 -14.489 30.912 1.00 28.34 H new ATOM 0 HE22 GLN A 875 23.909 -15.604 29.924 1.00 28.34 H new ATOM 1515 N GLU A 876 23.697 -11.984 28.989 1.00 25.52 N ATOM 1516 CA GLU A 876 22.424 -11.530 29.555 1.00 30.89 C ATOM 1517 C GLU A 876 22.424 -11.613 31.067 1.00 30.60 C ATOM 1518 O GLU A 876 22.926 -12.614 31.653 1.00 28.06 O ATOM 1519 CB GLU A 876 21.288 -12.339 28.967 1.00 34.44 C ATOM 1520 CG GLU A 876 20.980 -11.903 27.522 1.00 39.92 C ATOM 1521 CD GLU A 876 20.091 -10.646 27.469 1.00 42.07 C ATOM 1522 OE1 GLU A 876 18.947 -10.712 27.930 1.00 46.70 O ATOM 1523 OE2 GLU A 876 20.522 -9.592 26.982 1.00 48.38 O ATOM 0 H GLU A 876 23.639 -12.691 28.503 1.00 25.52 H new ATOM 0 HA GLU A 876 22.301 -10.596 29.323 1.00 30.89 H new ATOM 0 HB2 GLU A 876 21.518 -13.281 28.981 1.00 34.44 H new ATOM 0 HB3 GLU A 876 20.495 -12.233 29.515 1.00 34.44 H new ATOM 0 HG2 GLU A 876 21.812 -11.729 27.055 1.00 39.92 H new ATOM 0 HG3 GLU A 876 20.539 -12.629 27.054 1.00 39.92 H new ATOM 1524 N THR A 877 21.941 -10.548 31.707 1.00 35.27 N ATOM 1525 CA THR A 877 21.717 -10.575 33.196 1.00 45.32 C ATOM 1526 C THR A 877 20.380 -9.970 33.636 1.00 58.90 C ATOM 1527 O THR A 877 19.797 -9.143 32.921 1.00 62.73 O ATOM 1528 CB THR A 877 22.794 -9.788 33.977 1.00 44.89 C ATOM 1529 OG1 THR A 877 22.824 -8.439 33.523 1.00 48.01 O ATOM 1530 CG2 THR A 877 24.169 -10.398 33.804 1.00 49.57 C ATOM 0 H THR A 877 21.734 -9.806 31.325 1.00 35.27 H new ATOM 0 HA THR A 877 21.745 -11.523 33.398 1.00 45.32 H new ATOM 0 HB THR A 877 22.561 -9.824 34.918 1.00 44.89 H new ATOM 0 HG1 THR A 877 23.409 -8.013 33.949 1.00 48.01 H new ATOM 0 HG21 THR A 877 24.818 -9.881 34.306 1.00 49.57 H new ATOM 0 HG22 THR A 877 24.162 -11.311 34.131 1.00 49.57 H new ATOM 0 HG23 THR A 877 24.409 -10.393 32.864 1.00 49.57 H new ATOM 1531 N SER A 878 19.926 -10.376 34.830 1.00 74.15 N ATOM 1532 CA SER A 878 18.939 -9.602 35.637 1.00 75.85 C ATOM 1533 C SER A 878 19.647 -8.439 36.303 1.00 74.48 C ATOM 1534 O SER A 878 19.528 -7.311 35.858 1.00 89.30 O ATOM 1535 CB SER A 878 18.313 -10.463 36.739 1.00 78.08 C ATOM 1536 OG SER A 878 19.310 -11.241 37.394 1.00 76.73 O ATOM 0 H SER A 878 20.177 -11.109 35.203 1.00 74.15 H new ATOM 0 HA SER A 878 18.240 -9.298 35.038 1.00 75.85 H new ATOM 0 HB2 SER A 878 17.863 -9.895 37.384 1.00 78.08 H new ATOM 0 HB3 SER A 878 17.639 -11.047 36.357 1.00 78.08 H new ATOM 0 HG SER A 878 18.953 -11.706 37.995 1.00 76.73 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.728 40.851 40.318 1.00 58.12 N ATOM 1539 CA GLU B 700 -5.678 40.930 39.274 1.00 54.72 C ATOM 1540 C GLU B 700 -5.551 39.667 38.370 1.00 54.10 C ATOM 1541 O GLU B 700 -4.677 39.651 37.497 1.00 61.95 O ATOM 1542 CB GLU B 700 -4.324 41.283 39.914 1.00 50.19 C ATOM 0 HA GLU B 700 -5.960 41.637 38.672 1.00 54.72 H new ATOM 1543 N ASN B 701 -6.357 38.615 38.579 1.00 45.07 N ATOM 1544 CA ASN B 701 -6.464 37.518 37.581 1.00 44.96 C ATOM 1545 C ASN B 701 -7.911 37.193 37.208 1.00 46.46 C ATOM 1546 O ASN B 701 -8.806 37.317 38.041 1.00 47.17 O ATOM 1547 CB ASN B 701 -5.837 36.227 38.074 1.00 42.26 C ATOM 1548 CG ASN B 701 -4.317 36.250 38.026 1.00 48.52 C ATOM 1549 OD1 ASN B 701 -3.677 35.755 37.053 1.00 39.08 O ATOM 1550 ND2 ASN B 701 -3.722 36.734 39.109 1.00 45.84 N ATOM 0 H ASN B 701 -6.846 38.512 39.279 1.00 45.07 H new ATOM 0 HA ASN B 701 -5.988 37.854 36.805 1.00 44.96 H new ATOM 0 HB2 ASN B 701 -6.125 36.061 38.985 1.00 42.26 H new ATOM 0 HB3 ASN B 701 -6.162 35.489 37.535 1.00 42.26 H new ATOM 0 HD21 ASN B 701 -2.864 36.720 39.171 1.00 45.84 H new ATOM 0 HD22 ASN B 701 -4.194 37.062 39.749 1.00 45.84 H new ATOM 1551 N SER B 702 -8.117 36.719 35.979 1.00 37.86 N ATOM 1552 CA SER B 702 -9.417 36.269 35.510 1.00 33.69 C ATOM 1553 C SER B 702 -10.052 35.218 36.397 1.00 32.48 C ATOM 1554 O SER B 702 -9.372 34.341 36.926 1.00 31.42 O ATOM 1555 CB SER B 702 -9.279 35.724 34.076 1.00 34.65 C ATOM 1556 OG SER B 702 -10.545 35.430 33.504 1.00 33.78 O ATOM 0 H SER B 702 -7.494 36.651 35.390 1.00 37.86 H new ATOM 0 HA SER B 702 -10.006 37.039 35.534 1.00 33.69 H new ATOM 0 HB2 SER B 702 -8.817 36.375 33.525 1.00 34.65 H new ATOM 0 HB3 SER B 702 -8.733 34.922 34.085 1.00 34.65 H new ATOM 0 HG SER B 702 -10.439 35.137 32.724 1.00 33.78 H new ATOM 1557 N ASN B 703 -11.388 35.276 36.509 1.00 31.36 N ATOM 1558 CA ASN B 703 -12.170 34.164 37.123 1.00 34.83 C ATOM 1559 C ASN B 703 -12.653 33.110 36.154 1.00 30.99 C ATOM 1560 O ASN B 703 -13.488 32.271 36.497 1.00 28.59 O ATOM 1561 CB ASN B 703 -13.365 34.723 37.935 1.00 43.56 C ATOM 1562 CG ASN B 703 -14.279 35.633 37.116 1.00 53.80 C ATOM 1563 OD1 ASN B 703 -13.976 36.023 35.961 1.00 55.59 O ATOM 1564 ND2 ASN B 703 -15.412 36.027 37.742 1.00 63.73 N ATOM 0 H ASN B 703 -11.864 35.940 36.241 1.00 31.36 H new ATOM 0 HA ASN B 703 -11.543 33.712 37.708 1.00 34.83 H new ATOM 0 HB2 ASN B 703 -13.885 33.983 38.284 1.00 43.56 H new ATOM 0 HB3 ASN B 703 -13.027 35.217 38.698 1.00 43.56 H new ATOM 0 HD21 ASN B 703 -15.956 36.564 37.348 1.00 63.73 H new ATOM 0 HD22 ASN B 703 -15.588 35.740 38.533 1.00 63.73 H new ATOM 1565 N ILE B 704 -12.171 33.151 34.909 1.00 34.68 N ATOM 1566 CA ILE B 704 -12.491 32.054 33.953 1.00 30.82 C ATOM 1567 C ILE B 704 -11.193 31.594 33.263 1.00 26.19 C ATOM 1568 O ILE B 704 -10.255 32.351 33.139 1.00 26.27 O ATOM 1569 CB ILE B 704 -13.548 32.446 32.891 1.00 33.06 C ATOM 1570 CG1 ILE B 704 -13.158 33.717 32.173 1.00 33.94 C ATOM 1571 CG2 ILE B 704 -14.945 32.611 33.504 1.00 39.78 C ATOM 1572 CD1 ILE B 704 -14.069 34.012 30.987 1.00 35.86 C ATOM 0 H ILE B 704 -11.673 33.778 34.595 1.00 34.68 H new ATOM 0 HA ILE B 704 -12.883 31.331 34.468 1.00 30.82 H new ATOM 0 HB ILE B 704 -13.580 31.717 32.252 1.00 33.06 H new ATOM 0 HG12 ILE B 704 -13.189 34.460 32.795 1.00 33.94 H new ATOM 0 HG13 ILE B 704 -12.241 33.644 31.864 1.00 33.94 H new ATOM 0 HG21 ILE B 704 -15.576 32.856 32.810 1.00 39.78 H new ATOM 0 HG22 ILE B 704 -15.221 31.775 33.911 1.00 39.78 H new ATOM 0 HG23 ILE B 704 -14.922 33.307 34.179 1.00 39.78 H new ATOM 0 HD11 ILE B 704 -13.784 34.833 30.556 1.00 35.86 H new ATOM 0 HD12 ILE B 704 -14.020 33.281 30.352 1.00 35.86 H new ATOM 0 HD13 ILE B 704 -14.983 34.110 31.297 1.00 35.86 H new ATOM 1573 N CYS B 705 -11.193 30.334 32.889 1.00 25.28 N ATOM 1574 CA CYS B 705 -10.107 29.751 32.091 1.00 24.82 C ATOM 1575 C CYS B 705 -9.943 30.436 30.774 1.00 25.60 C ATOM 1576 O CYS B 705 -10.921 30.546 30.026 1.00 27.54 O ATOM 1577 CB CYS B 705 -10.384 28.300 31.904 1.00 23.84 C ATOM 1578 SG CYS B 705 -9.120 27.291 30.942 1.00 21.99 S ATOM 0 H CYS B 705 -11.820 29.780 33.085 1.00 25.28 H new ATOM 0 HA CYS B 705 -9.270 29.873 32.567 1.00 24.82 H new ATOM 0 HB2 CYS B 705 -10.482 27.899 32.782 1.00 23.84 H new ATOM 0 HB3 CYS B 705 -11.240 28.214 31.455 1.00 23.84 H new ATOM 1579 N GLU B 706 -8.702 30.784 30.432 1.00 23.41 N ATOM 1580 CA GLU B 706 -8.393 31.483 29.170 1.00 24.50 C ATOM 1581 C GLU B 706 -8.779 30.646 27.951 1.00 22.87 C ATOM 1582 O GLU B 706 -9.072 31.210 26.948 1.00 25.80 O ATOM 1583 CB GLU B 706 -6.920 31.767 29.066 1.00 24.16 C ATOM 1584 CG GLU B 706 -6.452 32.678 27.918 1.00 28.87 C ATOM 1585 CD GLU B 706 -6.732 34.148 28.182 1.00 31.61 C ATOM 1586 OE1 GLU B 706 -7.362 34.468 29.211 1.00 35.44 O ATOM 1587 OE2 GLU B 706 -6.272 34.962 27.376 1.00 31.43 O ATOM 0 H GLU B 706 -8.013 30.624 30.921 1.00 23.41 H new ATOM 0 HA GLU B 706 -8.905 32.307 29.181 1.00 24.50 H new ATOM 0 HB2 GLU B 706 -6.632 32.167 29.902 1.00 24.16 H new ATOM 0 HB3 GLU B 706 -6.457 30.919 28.983 1.00 24.16 H new ATOM 0 HG2 GLU B 706 -5.500 32.554 27.780 1.00 28.87 H new ATOM 0 HG3 GLU B 706 -6.895 32.411 27.097 1.00 28.87 H new ATOM 1588 N VAL B 707 -8.726 29.342 28.070 1.00 19.85 N ATOM 1589 CA VAL B 707 -8.876 28.418 26.936 1.00 22.51 C ATOM 1590 C VAL B 707 -10.349 28.044 26.708 1.00 23.78 C ATOM 1591 O VAL B 707 -10.855 28.206 25.608 1.00 23.49 O ATOM 1592 CB VAL B 707 -8.022 27.131 27.109 1.00 21.79 C ATOM 1593 CG1 VAL B 707 -8.106 26.245 25.873 1.00 23.42 C ATOM 1594 CG2 VAL B 707 -6.545 27.444 27.392 1.00 22.26 C ATOM 0 H VAL B 707 -8.600 28.945 28.822 1.00 19.85 H new ATOM 0 HA VAL B 707 -8.549 28.890 26.154 1.00 22.51 H new ATOM 0 HB VAL B 707 -8.392 26.664 27.875 1.00 21.79 H new ATOM 0 HG11 VAL B 707 -7.566 25.451 26.007 1.00 23.42 H new ATOM 0 HG12 VAL B 707 -9.029 25.986 25.722 1.00 23.42 H new ATOM 0 HG13 VAL B 707 -7.777 26.733 25.102 1.00 23.42 H new ATOM 0 HG21 VAL B 707 -6.052 26.615 27.492 1.00 22.26 H new ATOM 0 HG22 VAL B 707 -6.175 27.953 26.654 1.00 22.26 H new ATOM 0 HG23 VAL B 707 -6.475 27.963 28.209 1.00 22.26 H new ATOM 1595 N CYS B 708 -11.023 27.557 27.738 1.00 21.62 N ATOM 1596 CA CYS B 708 -12.400 27.058 27.609 1.00 23.96 C ATOM 1597 C CYS B 708 -13.463 28.032 28.153 1.00 24.61 C ATOM 1598 O CYS B 708 -14.643 27.692 28.067 1.00 27.98 O ATOM 1599 CB CYS B 708 -12.600 25.684 28.265 1.00 23.57 C ATOM 1600 SG CYS B 708 -12.615 25.727 30.091 1.00 24.53 S ATOM 0 H CYS B 708 -10.703 27.503 28.534 1.00 21.62 H new ATOM 0 HA CYS B 708 -12.529 26.973 26.651 1.00 23.96 H new ATOM 0 HB2 CYS B 708 -13.437 25.306 27.953 1.00 23.57 H new ATOM 0 HB3 CYS B 708 -11.892 25.089 27.971 1.00 23.57 H new ATOM 1601 N ASN B 709 -13.051 29.160 28.728 1.00 27.12 N ATOM 1602 CA ASN B 709 -13.942 30.178 29.288 1.00 29.16 C ATOM 1603 C ASN B 709 -14.913 29.701 30.383 1.00 32.30 C ATOM 1604 O ASN B 709 -15.916 30.384 30.611 1.00 36.36 O ATOM 1605 CB ASN B 709 -14.725 30.869 28.160 1.00 29.59 C ATOM 1606 CG ASN B 709 -13.824 31.390 27.074 1.00 35.20 C ATOM 1607 OD1 ASN B 709 -13.686 30.747 26.043 1.00 43.33 O ATOM 1608 ND2 ASN B 709 -13.130 32.483 27.328 1.00 39.25 N ATOM 0 H ASN B 709 -12.219 29.361 28.806 1.00 27.12 H new ATOM 0 HA ASN B 709 -13.349 30.798 29.740 1.00 29.16 H new ATOM 0 HB2 ASN B 709 -15.359 30.242 27.778 1.00 29.59 H new ATOM 0 HB3 ASN B 709 -15.240 31.603 28.530 1.00 29.59 H new ATOM 0 HD21 ASN B 709 -12.554 32.769 26.757 1.00 39.25 H new ATOM 0 HD22 ASN B 709 -13.254 32.910 28.064 1.00 39.25 H new ATOM 1609 N LYS B 710 -14.632 28.574 31.045 1.00 27.81 N ATOM 1610 CA LYS B 710 -15.390 28.087 32.178 1.00 29.99 C ATOM 1611 C LYS B 710 -14.677 28.395 33.531 1.00 33.65 C ATOM 1612 O LYS B 710 -13.446 28.616 33.625 1.00 30.73 O ATOM 1613 CB LYS B 710 -15.613 26.593 32.084 1.00 32.68 C ATOM 1614 CG LYS B 710 -16.321 26.145 30.819 1.00 38.33 C ATOM 1615 CD LYS B 710 -17.584 26.930 30.542 1.00 43.97 C ATOM 1616 CE LYS B 710 -18.312 26.403 29.304 1.00 56.29 C ATOM 1617 NZ LYS B 710 -19.686 26.974 29.109 1.00 60.04 N ATOM 0 H LYS B 710 -13.973 28.063 30.833 1.00 27.81 H new ATOM 0 HA LYS B 710 -16.242 28.550 32.155 1.00 29.99 H new ATOM 0 HB2 LYS B 710 -14.755 26.145 32.138 1.00 32.68 H new ATOM 0 HB3 LYS B 710 -16.132 26.305 32.851 1.00 32.68 H new ATOM 0 HG2 LYS B 710 -15.717 26.237 30.066 1.00 38.33 H new ATOM 0 HG3 LYS B 710 -16.541 25.203 30.893 1.00 38.33 H new ATOM 0 HD2 LYS B 710 -18.173 26.879 31.311 1.00 43.97 H new ATOM 0 HD3 LYS B 710 -17.363 27.866 30.415 1.00 43.97 H new ATOM 0 HE2 LYS B 710 -17.777 26.599 28.519 1.00 56.29 H new ATOM 0 HE3 LYS B 710 -18.380 25.437 29.368 1.00 56.29 H new ATOM 0 HZ1 LYS B 710 -20.051 26.627 28.375 1.00 60.04 H new ATOM 0 HZ2 LYS B 710 -20.193 26.776 29.814 1.00 60.04 H new ATOM 0 HZ3 LYS B 710 -19.631 27.858 29.023 1.00 60.04 H new ATOM 1618 N TRP B 711 -15.480 28.416 34.580 1.00 33.56 N ATOM 1619 CA TRP B 711 -15.042 28.807 35.909 1.00 32.19 C ATOM 1620 C TRP B 711 -14.535 27.564 36.588 1.00 28.40 C ATOM 1621 O TRP B 711 -14.681 26.435 36.080 1.00 31.53 O ATOM 1622 CB TRP B 711 -16.249 29.418 36.737 1.00 38.67 C ATOM 1623 CG TRP B 711 -17.028 28.375 37.551 1.00 46.06 C ATOM 1624 CD1 TRP B 711 -17.706 27.282 37.042 1.00 47.95 C ATOM 1625 CD2 TRP B 711 -17.133 28.275 39.004 1.00 50.67 C ATOM 1626 NE1 TRP B 711 -18.226 26.524 38.079 1.00 57.65 N ATOM 1627 CE2 TRP B 711 -17.896 27.097 39.286 1.00 56.18 C ATOM 1628 CE3 TRP B 711 -16.675 29.073 40.095 1.00 53.55 C ATOM 1629 CZ2 TRP B 711 -18.228 26.692 40.633 1.00 58.31 C ATOM 1630 CZ3 TRP B 711 -17.025 28.671 41.437 1.00 50.02 C ATOM 1631 CH2 TRP B 711 -17.781 27.488 41.678 1.00 48.57 C ATOM 0 H TRP B 711 -16.311 28.199 34.540 1.00 33.56 H new ATOM 0 HA TRP B 711 -14.350 29.484 35.853 1.00 32.19 H new ATOM 0 HB2 TRP B 711 -15.907 30.097 37.339 1.00 38.67 H new ATOM 0 HB3 TRP B 711 -16.858 29.861 36.126 1.00 38.67 H new ATOM 0 HD1 TRP B 711 -17.799 27.085 36.138 1.00 47.95 H new ATOM 0 HE1 TRP B 711 -18.686 25.804 37.983 1.00 57.65 H new ATOM 0 HE3 TRP B 711 -16.163 29.835 39.945 1.00 53.55 H new ATOM 0 HZ2 TRP B 711 -18.725 25.923 40.794 1.00 58.31 H new ATOM 0 HZ3 TRP B 711 -16.752 29.193 42.156 1.00 50.02 H new ATOM 0 HH2 TRP B 711 -17.979 27.244 42.553 1.00 48.57 H new ATOM 1632 N GLY B 712 -14.017 27.767 37.799 1.00 28.54 N ATOM 1633 CA GLY B 712 -13.645 26.674 38.673 1.00 30.94 C ATOM 1634 C GLY B 712 -12.288 25.991 38.504 1.00 31.50 C ATOM 1635 O GLY B 712 -11.833 25.770 37.399 1.00 29.71 O ATOM 0 H GLY B 712 -13.874 28.547 38.131 1.00 28.54 H new ATOM 0 HA2 GLY B 712 -13.691 27.004 39.584 1.00 30.94 H new ATOM 0 HA3 GLY B 712 -14.326 25.989 38.585 1.00 30.94 H new ATOM 1636 N ARG B 713 -11.685 25.602 39.623 1.00 29.21 N ATOM 1637 CA ARG B 713 -10.479 24.763 39.644 1.00 29.95 C ATOM 1638 C ARG B 713 -9.345 25.461 38.882 1.00 22.98 C ATOM 1639 O ARG B 713 -8.630 24.872 38.163 1.00 26.34 O ATOM 1640 CB ARG B 713 -10.846 23.381 39.114 1.00 29.88 C ATOM 1641 CG ARG B 713 -10.006 22.276 39.679 1.00 41.76 C ATOM 1642 CD ARG B 713 -10.390 20.856 39.270 1.00 46.21 C ATOM 1643 NE ARG B 713 -11.633 20.332 39.885 1.00 57.34 N ATOM 1644 CZ ARG B 713 -12.866 20.375 39.350 1.00 66.82 C ATOM 1645 NH1 ARG B 713 -13.897 19.848 40.031 1.00 62.69 N ATOM 1646 NH2 ARG B 713 -13.104 20.954 38.152 1.00 76.21 N ATOM 0 H ARG B 713 -11.966 25.819 40.406 1.00 29.21 H new ATOM 0 HA ARG B 713 -10.141 24.637 40.544 1.00 29.95 H new ATOM 0 HB2 ARG B 713 -11.778 23.203 39.315 1.00 29.88 H new ATOM 0 HB3 ARG B 713 -10.760 23.381 38.148 1.00 29.88 H new ATOM 0 HG2 ARG B 713 -9.085 22.430 39.417 1.00 41.76 H new ATOM 0 HG3 ARG B 713 -10.039 22.333 40.647 1.00 41.76 H new ATOM 0 HD2 ARG B 713 -10.488 20.829 38.305 1.00 46.21 H new ATOM 0 HD3 ARG B 713 -9.659 20.261 39.498 1.00 46.21 H new ATOM 0 HE ARG B 713 -11.558 19.965 40.659 1.00 57.34 H new ATOM 0 HH11 ARG B 713 -13.765 19.488 40.801 1.00 62.69 H new ATOM 0 HH12 ARG B 713 -14.689 19.871 39.697 1.00 62.69 H new ATOM 0 HH21 ARG B 713 -12.457 21.308 37.710 1.00 76.21 H new ATOM 0 HH22 ARG B 713 -13.902 20.968 37.832 1.00 76.21 H new ATOM 1647 N LEU B 714 -9.189 26.752 39.075 1.00 24.46 N ATOM 1648 CA LEU B 714 -8.309 27.556 38.260 1.00 24.04 C ATOM 1649 C LEU B 714 -6.927 27.803 38.878 1.00 29.04 C ATOM 1650 O LEU B 714 -6.776 27.968 40.112 1.00 27.05 O ATOM 1651 CB LEU B 714 -8.993 28.891 37.998 1.00 25.81 C ATOM 1652 CG LEU B 714 -10.222 28.912 37.133 1.00 26.08 C ATOM 1653 CD1 LEU B 714 -10.731 30.346 37.045 1.00 28.87 C ATOM 1654 CD2 LEU B 714 -9.912 28.356 35.711 1.00 25.74 C ATOM 0 H LEU B 714 -9.596 27.193 39.691 1.00 24.46 H new ATOM 0 HA LEU B 714 -8.147 27.061 37.442 1.00 24.04 H new ATOM 0 HB2 LEU B 714 -9.231 29.274 38.857 1.00 25.81 H new ATOM 0 HB3 LEU B 714 -8.339 29.483 37.595 1.00 25.81 H new ATOM 0 HG LEU B 714 -10.903 28.344 37.527 1.00 26.08 H new ATOM 0 HD11 LEU B 714 -11.525 30.374 36.489 1.00 28.87 H new ATOM 0 HD12 LEU B 714 -10.948 30.668 37.934 1.00 28.87 H new ATOM 0 HD13 LEU B 714 -10.044 30.910 36.656 1.00 28.87 H new ATOM 0 HD21 LEU B 714 -10.718 28.379 35.172 1.00 25.74 H new ATOM 0 HD22 LEU B 714 -9.227 28.901 35.292 1.00 25.74 H new ATOM 0 HD23 LEU B 714 -9.597 27.441 35.783 1.00 25.74 H new ATOM 1655 N PHE B 715 -5.919 27.845 38.007 1.00 28.02 N ATOM 1656 CA PHE B 715 -4.545 28.202 38.353 1.00 26.41 C ATOM 1657 C PHE B 715 -4.278 29.527 37.742 1.00 28.00 C ATOM 1658 O PHE B 715 -4.548 29.721 36.557 1.00 28.08 O ATOM 1659 CB PHE B 715 -3.632 27.180 37.794 1.00 26.76 C ATOM 1660 CG PHE B 715 -3.721 25.841 38.471 1.00 26.61 C ATOM 1661 CD1 PHE B 715 -4.635 24.894 38.043 1.00 30.39 C ATOM 1662 CD2 PHE B 715 -2.852 25.510 39.491 1.00 30.67 C ATOM 1663 CE1 PHE B 715 -4.679 23.655 38.637 1.00 31.19 C ATOM 1664 CE2 PHE B 715 -2.856 24.266 40.071 1.00 26.35 C ATOM 1665 CZ PHE B 715 -3.782 23.336 39.672 1.00 30.59 C ATOM 0 H PHE B 715 -6.020 27.661 37.173 1.00 28.02 H new ATOM 0 HA PHE B 715 -4.411 28.241 39.313 1.00 26.41 H new ATOM 0 HB2 PHE B 715 -3.827 27.068 36.850 1.00 26.76 H new ATOM 0 HB3 PHE B 715 -2.720 27.505 37.859 1.00 26.76 H new ATOM 0 HD1 PHE B 715 -5.222 25.097 37.351 1.00 30.39 H new ATOM 0 HD2 PHE B 715 -2.247 26.148 39.794 1.00 30.67 H new ATOM 0 HE1 PHE B 715 -5.303 23.027 38.354 1.00 31.19 H new ATOM 0 HE2 PHE B 715 -2.235 24.055 40.730 1.00 26.35 H new ATOM 0 HZ PHE B 715 -3.816 22.502 40.082 1.00 30.59 H new ATOM 1666 N CYS B 716 -3.791 30.468 38.543 1.00 27.26 N ATOM 1667 CA ACYS B 716 -3.533 31.823 38.051 0.64 30.26 C ATOM 1668 CA BCYS B 716 -3.525 31.844 38.107 0.36 30.28 C ATOM 1669 C CYS B 716 -2.083 32.008 37.688 1.00 27.27 C ATOM 1670 O CYS B 716 -1.173 31.502 38.359 1.00 34.24 O ATOM 1671 CB ACYS B 716 -3.989 32.893 39.069 0.64 35.63 C ATOM 1672 CB BCYS B 716 -3.825 32.846 39.244 0.36 34.57 C ATOM 1673 SG ACYS B 716 -5.691 32.672 39.617 0.64 39.21 S ATOM 1674 SG BCYS B 716 -2.532 32.964 40.522 0.36 38.95 S ATOM 0 H ACYS B 716 -3.603 30.346 39.373 0.64 27.26 H new ATOM 0 H BCYS B 716 -3.601 30.327 39.370 0.36 27.26 H new ATOM 0 HA ACYS B 716 -4.059 31.941 37.245 0.64 30.28 H new ATOM 0 HA BCYS B 716 -4.105 32.025 37.351 0.36 30.28 H new ATOM 0 HB2ACYS B 716 -3.401 32.868 39.840 0.64 34.57 H new ATOM 0 HB2BCYS B 716 -3.959 33.725 38.856 0.36 34.57 H new ATOM 0 HB3ACYS B 716 -3.896 33.772 38.669 0.64 34.57 H new ATOM 0 HB3BCYS B 716 -4.659 32.593 39.669 0.36 34.57 H new ATOM 0 HG ACYS B 716 -6.433 32.805 38.683 0.64 38.95 H new ATOM 0 HG BCYS B 716 -1.532 32.429 40.131 0.36 38.95 H new ATOM 1675 N CYS B 717 -1.849 32.726 36.598 1.00 25.69 N ATOM 1676 CA CYS B 717 -0.514 33.070 36.226 1.00 26.47 C ATOM 1677 C CYS B 717 0.022 34.202 37.169 1.00 33.78 C ATOM 1678 O CYS B 717 -0.739 35.165 37.505 1.00 33.98 O ATOM 1679 CB CYS B 717 -0.466 33.533 34.765 1.00 25.83 C ATOM 1680 SG CYS B 717 1.183 34.038 34.136 1.00 26.46 S ATOM 0 H CYS B 717 -2.459 33.018 36.067 1.00 25.69 H new ATOM 0 HA CYS B 717 0.049 32.285 36.317 1.00 26.47 H new ATOM 0 HB2 CYS B 717 -0.800 32.815 34.205 1.00 25.83 H new ATOM 0 HB3 CYS B 717 -1.075 34.281 34.661 1.00 25.83 H new ATOM 1681 N ASP B 718 1.301 34.101 37.555 1.00 33.99 N ATOM 1682 CA ASP B 718 1.915 35.136 38.419 1.00 38.56 C ATOM 1683 C ASP B 718 2.422 36.326 37.656 1.00 37.77 C ATOM 1684 O ASP B 718 2.760 37.329 38.275 1.00 40.12 O ATOM 1685 CB ASP B 718 3.020 34.562 39.295 1.00 40.59 C ATOM 1686 CG ASP B 718 2.482 33.607 40.329 1.00 49.88 C ATOM 1687 OD1 ASP B 718 1.510 33.977 41.019 1.00 51.94 O ATOM 1688 OD2 ASP B 718 3.001 32.475 40.455 1.00 52.53 O ATOM 0 H ASP B 718 1.826 33.456 37.335 1.00 33.99 H new ATOM 0 HA ASP B 718 1.196 35.450 38.990 1.00 38.56 H new ATOM 0 HB2 ASP B 718 3.668 34.103 38.738 1.00 40.59 H new ATOM 0 HB3 ASP B 718 3.490 35.286 39.738 1.00 40.59 H new ATOM 1689 N THR B 719 2.481 36.267 36.333 1.00 36.79 N ATOM 1690 CA THR B 719 3.053 37.372 35.562 1.00 33.95 C ATOM 1691 C THR B 719 2.097 38.043 34.613 1.00 33.33 C ATOM 1692 O THR B 719 2.481 38.949 33.907 1.00 31.68 O ATOM 1693 CB THR B 719 4.370 36.912 34.871 1.00 38.85 C ATOM 1694 OG1 THR B 719 4.199 35.643 34.203 1.00 31.46 O ATOM 1695 CG2 THR B 719 5.459 36.731 35.937 1.00 40.34 C ATOM 0 H THR B 719 2.199 35.605 35.862 1.00 36.79 H new ATOM 0 HA THR B 719 3.262 38.074 36.198 1.00 33.95 H new ATOM 0 HB THR B 719 4.615 37.588 34.220 1.00 38.85 H new ATOM 0 HG1 THR B 719 3.803 35.762 33.472 1.00 31.46 H new ATOM 0 HG21 THR B 719 6.283 36.444 35.513 1.00 40.34 H new ATOM 0 HG22 THR B 719 5.608 37.573 36.394 1.00 40.34 H new ATOM 0 HG23 THR B 719 5.176 36.061 36.579 1.00 40.34 H new ATOM 1696 N CYS B 720 0.853 37.547 34.554 1.00 35.90 N ATOM 1697 CA CYS B 720 -0.209 38.175 33.778 1.00 33.33 C ATOM 1698 C CYS B 720 -1.574 37.837 34.412 1.00 32.01 C ATOM 1699 O CYS B 720 -1.644 37.029 35.333 1.00 30.80 O ATOM 1700 CB CYS B 720 -0.103 37.766 32.294 1.00 32.17 C ATOM 1701 SG CYS B 720 -0.890 36.159 31.855 1.00 29.32 S ATOM 0 H CYS B 720 0.608 36.834 34.967 1.00 35.90 H new ATOM 0 HA CYS B 720 -0.117 39.140 33.797 1.00 33.33 H new ATOM 0 HB2 CYS B 720 -0.505 38.464 31.753 1.00 32.17 H new ATOM 0 HB3 CYS B 720 0.836 37.725 32.052 1.00 32.17 H new ATOM 1702 N PRO B 721 -2.667 38.461 33.931 1.00 33.05 N ATOM 1703 CA PRO B 721 -3.967 38.219 34.565 1.00 37.92 C ATOM 1704 C PRO B 721 -4.692 36.903 34.162 1.00 34.60 C ATOM 1705 O PRO B 721 -5.767 36.609 34.660 1.00 31.40 O ATOM 1706 CB PRO B 721 -4.792 39.427 34.145 1.00 39.42 C ATOM 1707 CG PRO B 721 -4.092 40.048 32.977 1.00 42.68 C ATOM 1708 CD PRO B 721 -2.744 39.455 32.836 1.00 40.24 C ATOM 0 HA PRO B 721 -3.847 38.108 35.521 1.00 37.92 H new ATOM 0 HB2 PRO B 721 -5.693 39.161 33.904 1.00 39.42 H new ATOM 0 HB3 PRO B 721 -4.870 40.061 34.875 1.00 39.42 H new ATOM 0 HG2 PRO B 721 -4.605 39.904 32.167 1.00 42.68 H new ATOM 0 HG3 PRO B 721 -4.022 41.007 33.102 1.00 42.68 H new ATOM 0 HD2 PRO B 721 -2.630 39.036 31.969 1.00 40.24 H new ATOM 0 HD3 PRO B 721 -2.050 40.128 32.919 1.00 40.24 H new ATOM 1709 N ARG B 722 -4.095 36.101 33.286 1.00 30.35 N ATOM 1710 CA ARG B 722 -4.767 34.922 32.782 1.00 28.74 C ATOM 1711 C ARG B 722 -4.853 33.819 33.830 1.00 25.70 C ATOM 1712 O ARG B 722 -4.031 33.731 34.776 1.00 27.37 O ATOM 1713 CB ARG B 722 -4.064 34.404 31.534 1.00 27.14 C ATOM 1714 CG ARG B 722 -4.074 35.309 30.377 1.00 27.67 C ATOM 1715 CD ARG B 722 -3.335 34.693 29.200 1.00 25.95 C ATOM 1716 NE ARG B 722 -3.293 35.540 28.040 1.00 27.45 N ATOM 1717 CZ ARG B 722 -2.414 36.525 27.852 1.00 26.16 C ATOM 1718 NH1 ARG B 722 -1.499 36.814 28.743 1.00 32.17 N ATOM 1719 NH2 ARG B 722 -2.448 37.195 26.727 1.00 27.99 N ATOM 0 H ARG B 722 -3.303 36.226 32.975 1.00 30.35 H new ATOM 0 HA ARG B 722 -5.674 35.182 32.556 1.00 28.74 H new ATOM 0 HB2 ARG B 722 -3.142 34.205 31.761 1.00 27.14 H new ATOM 0 HB3 ARG B 722 -4.479 33.567 31.273 1.00 27.14 H new ATOM 0 HG2 ARG B 722 -4.989 35.505 30.122 1.00 27.67 H new ATOM 0 HG3 ARG B 722 -3.660 36.153 30.618 1.00 27.67 H new ATOM 0 HD2 ARG B 722 -2.428 34.484 29.471 1.00 25.95 H new ATOM 0 HD3 ARG B 722 -3.761 33.854 28.963 1.00 25.95 H new ATOM 0 HE ARG B 722 -3.876 35.402 27.423 1.00 27.45 H new ATOM 0 HH11 ARG B 722 -1.453 36.363 29.474 1.00 32.17 H new ATOM 0 HH12 ARG B 722 -0.944 37.454 28.597 1.00 32.17 H new ATOM 0 HH21 ARG B 722 -3.030 36.997 26.126 1.00 27.99 H new ATOM 0 HH22 ARG B 722 -1.888 37.833 26.590 1.00 27.99 H new ATOM 1720 N SER B 723 -5.860 32.985 33.687 1.00 23.65 N ATOM 1721 CA SER B 723 -6.078 31.839 34.537 1.00 23.12 C ATOM 1722 C SER B 723 -6.369 30.576 33.659 1.00 23.10 C ATOM 1723 O SER B 723 -6.821 30.731 32.513 1.00 24.57 O ATOM 1724 CB SER B 723 -7.283 32.108 35.534 1.00 29.27 C ATOM 1725 OG SER B 723 -6.952 33.204 36.439 1.00 29.81 O ATOM 0 H SER B 723 -6.455 33.073 33.072 1.00 23.65 H new ATOM 0 HA SER B 723 -5.278 31.681 35.062 1.00 23.12 H new ATOM 0 HB2 SER B 723 -8.085 32.324 35.032 1.00 29.27 H new ATOM 0 HB3 SER B 723 -7.475 31.305 36.044 1.00 29.27 H new ATOM 0 HG SER B 723 -7.654 33.611 36.656 1.00 29.81 H new ATOM 1726 N PHE B 724 -6.108 29.390 34.211 1.00 21.30 N ATOM 1727 CA PHE B 724 -6.211 28.129 33.448 1.00 21.51 C ATOM 1728 C PHE B 724 -6.669 27.029 34.259 1.00 19.38 C ATOM 1729 O PHE B 724 -6.250 26.874 35.442 1.00 22.77 O ATOM 1730 CB PHE B 724 -4.792 27.759 32.847 1.00 20.55 C ATOM 1731 CG PHE B 724 -4.218 28.789 31.939 1.00 19.47 C ATOM 1732 CD1 PHE B 724 -3.433 29.871 32.435 1.00 19.98 C ATOM 1733 CD2 PHE B 724 -4.461 28.742 30.553 1.00 20.77 C ATOM 1734 CE1 PHE B 724 -2.927 30.830 31.555 1.00 18.83 C ATOM 1735 CE2 PHE B 724 -3.941 29.678 29.706 1.00 17.80 C ATOM 1736 CZ PHE B 724 -3.177 30.727 30.203 1.00 19.46 C ATOM 0 H PHE B 724 -5.868 29.287 35.030 1.00 21.30 H new ATOM 0 HA PHE B 724 -6.862 28.273 32.744 1.00 21.51 H new ATOM 0 HB2 PHE B 724 -4.173 27.608 33.578 1.00 20.55 H new ATOM 0 HB3 PHE B 724 -4.867 26.922 32.362 1.00 20.55 H new ATOM 0 HD1 PHE B 724 -3.258 29.938 33.346 1.00 19.98 H new ATOM 0 HD2 PHE B 724 -4.988 28.058 30.207 1.00 20.77 H new ATOM 0 HE1 PHE B 724 -2.421 31.539 31.881 1.00 18.83 H new ATOM 0 HE2 PHE B 724 -4.099 29.613 28.792 1.00 17.80 H new ATOM 0 HZ PHE B 724 -2.832 31.364 29.620 1.00 19.46 H new ATOM 1737 N HIS B 725 -7.457 26.130 33.670 1.00 20.69 N ATOM 1738 CA HIS B 725 -7.529 24.787 34.172 1.00 19.25 C ATOM 1739 C HIS B 725 -6.225 24.019 33.966 1.00 23.10 C ATOM 1740 O HIS B 725 -5.464 24.263 33.015 1.00 22.07 O ATOM 1741 CB HIS B 725 -8.662 23.974 33.593 1.00 22.10 C ATOM 1742 CG HIS B 725 -10.006 24.554 33.882 1.00 27.24 C ATOM 1743 ND1 HIS B 725 -10.814 25.052 32.905 1.00 28.29 N ATOM 1744 CD2 HIS B 725 -10.620 24.840 35.064 1.00 24.21 C ATOM 1745 CE1 HIS B 725 -11.919 25.559 33.445 1.00 30.95 C ATOM 1746 NE2 HIS B 725 -11.817 25.428 34.762 1.00 29.52 N ATOM 0 H HIS B 725 -7.950 26.288 32.984 1.00 20.69 H new ATOM 0 HA HIS B 725 -7.697 24.903 35.120 1.00 19.25 H new ATOM 0 HB2 HIS B 725 -8.545 23.905 32.633 1.00 22.10 H new ATOM 0 HB3 HIS B 725 -8.621 23.073 33.949 1.00 22.10 H new ATOM 0 HD2 HIS B 725 -10.288 24.668 35.915 1.00 24.21 H new ATOM 0 HE1 HIS B 725 -12.633 25.936 32.984 1.00 30.95 H new ATOM 0 HE2 HIS B 725 -12.410 25.674 35.335 1.00 29.52 H new ATOM 1747 N GLU B 726 -5.982 23.081 34.883 1.00 23.58 N ATOM 1748 CA GLU B 726 -4.767 22.277 34.898 1.00 26.00 C ATOM 1749 C GLU B 726 -4.442 21.692 33.514 1.00 23.62 C ATOM 1750 O GLU B 726 -3.342 21.846 33.015 1.00 23.67 O ATOM 1751 CB GLU B 726 -4.883 21.108 35.872 1.00 28.98 C ATOM 1752 CG GLU B 726 -3.581 20.327 35.971 1.00 31.31 C ATOM 1753 CD GLU B 726 -3.573 19.311 37.127 1.00 38.99 C ATOM 1754 OE1 GLU B 726 -4.544 19.297 37.911 1.00 39.80 O ATOM 1755 OE2 GLU B 726 -2.615 18.498 37.206 1.00 35.53 O ATOM 0 H GLU B 726 -6.528 22.894 35.521 1.00 23.58 H new ATOM 0 HA GLU B 726 -4.059 22.880 35.174 1.00 26.00 H new ATOM 0 HB2 GLU B 726 -5.129 21.441 36.749 1.00 28.98 H new ATOM 0 HB3 GLU B 726 -5.595 20.516 35.584 1.00 28.98 H new ATOM 0 HG2 GLU B 726 -3.426 19.859 35.135 1.00 31.31 H new ATOM 0 HG3 GLU B 726 -2.846 20.948 36.089 1.00 31.31 H new ATOM 1756 N HIS B 727 -5.405 21.052 32.898 1.00 25.53 N ATOM 1757 CA HIS B 727 -5.223 20.423 31.632 1.00 22.64 C ATOM 1758 C HIS B 727 -5.737 21.171 30.385 1.00 23.42 C ATOM 1759 O HIS B 727 -5.635 20.649 29.259 1.00 22.91 O ATOM 1760 CB HIS B 727 -5.825 19.017 31.702 1.00 26.36 C ATOM 1761 CG HIS B 727 -5.251 18.189 32.793 1.00 31.31 C ATOM 1762 ND1 HIS B 727 -3.938 17.769 32.799 1.00 32.93 N ATOM 1763 CD2 HIS B 727 -5.826 17.652 33.899 1.00 33.10 C ATOM 1764 CE1 HIS B 727 -3.709 17.061 33.896 1.00 36.99 C ATOM 1765 NE2 HIS B 727 -4.839 16.974 34.579 1.00 36.28 N ATOM 0 H HIS B 727 -6.200 20.972 33.216 1.00 25.53 H new ATOM 0 HA HIS B 727 -4.263 20.414 31.491 1.00 22.64 H new ATOM 0 HB2 HIS B 727 -6.784 19.088 31.828 1.00 26.36 H new ATOM 0 HB3 HIS B 727 -5.683 18.568 30.854 1.00 26.36 H new ATOM 0 HD2 HIS B 727 -6.718 17.728 34.150 1.00 33.10 H new ATOM 0 HE1 HIS B 727 -2.893 16.689 34.143 1.00 36.99 H new ATOM 0 HE2 HIS B 727 -4.941 16.561 35.326 1.00 36.28 H new ATOM 1766 N CYS B 728 -6.187 22.387 30.568 1.00 19.96 N ATOM 1767 CA CYS B 728 -6.444 23.340 29.499 1.00 20.95 C ATOM 1768 C CYS B 728 -5.160 24.031 29.081 1.00 21.09 C ATOM 1769 O CYS B 728 -4.897 24.200 27.908 1.00 18.15 O ATOM 1770 CB CYS B 728 -7.549 24.375 29.890 1.00 21.26 C ATOM 1771 SG CYS B 728 -9.232 23.693 29.826 1.00 22.82 S ATOM 0 H CYS B 728 -6.361 22.702 31.349 1.00 19.96 H new ATOM 0 HA CYS B 728 -6.784 22.844 28.738 1.00 20.95 H new ATOM 0 HB2 CYS B 728 -7.374 24.702 30.786 1.00 21.26 H new ATOM 0 HB3 CYS B 728 -7.494 25.138 29.294 1.00 21.26 H new ATOM 1772 N HIS B 729 -4.310 24.347 30.044 1.00 18.79 N ATOM 1773 CA HIS B 729 -3.013 24.908 29.716 1.00 18.46 C ATOM 1774 C HIS B 729 -2.224 23.766 29.062 1.00 17.81 C ATOM 1775 O HIS B 729 -2.484 22.555 29.364 1.00 18.66 O ATOM 1776 CB HIS B 729 -2.301 25.328 31.009 1.00 18.82 C ATOM 1777 CG HIS B 729 -1.108 26.176 30.765 1.00 19.36 C ATOM 1778 ND1 HIS B 729 0.165 25.664 30.607 1.00 19.40 N ATOM 1779 CD2 HIS B 729 -1.011 27.502 30.601 1.00 19.42 C ATOM 1780 CE1 HIS B 729 1.008 26.654 30.371 1.00 20.43 C ATOM 1781 NE2 HIS B 729 0.317 27.782 30.371 1.00 21.82 N ATOM 0 H HIS B 729 -4.462 24.246 30.884 1.00 18.79 H new ATOM 0 HA HIS B 729 -3.089 25.682 29.136 1.00 18.46 H new ATOM 0 HB2 HIS B 729 -2.925 25.811 31.574 1.00 18.82 H new ATOM 0 HB3 HIS B 729 -2.033 24.534 31.497 1.00 18.82 H new ATOM 0 HD1 HIS B 729 0.376 24.832 30.655 1.00 19.40 H new ATOM 0 HD2 HIS B 729 -1.708 28.116 30.636 1.00 19.42 H new ATOM 0 HE1 HIS B 729 1.924 26.572 30.230 1.00 20.43 H new ATOM 1782 N ILE B 730 -1.307 24.150 28.168 1.00 18.42 N ATOM 1783 CA ILE B 730 -0.385 23.236 27.489 1.00 19.28 C ATOM 1784 C ILE B 730 1.011 23.818 27.624 1.00 20.56 C ATOM 1785 O ILE B 730 1.254 24.995 27.287 1.00 23.30 O ATOM 1786 CB ILE B 730 -0.751 22.984 25.986 1.00 18.69 C ATOM 1787 CG1 ILE B 730 -2.210 22.696 25.820 1.00 19.78 C ATOM 1788 CG2 ILE B 730 0.081 21.793 25.404 1.00 21.15 C ATOM 1789 CD1 ILE B 730 -2.696 22.375 24.402 1.00 18.51 C ATOM 0 H ILE B 730 -1.203 24.971 27.935 1.00 18.42 H new ATOM 0 HA ILE B 730 -0.443 22.363 27.908 1.00 19.28 H new ATOM 0 HB ILE B 730 -0.536 23.795 25.499 1.00 18.69 H new ATOM 0 HG12 ILE B 730 -2.437 21.948 26.394 1.00 19.78 H new ATOM 0 HG13 ILE B 730 -2.708 23.463 26.144 1.00 19.78 H new ATOM 0 HG21 ILE B 730 -0.160 21.653 24.475 1.00 21.15 H new ATOM 0 HG22 ILE B 730 1.027 21.999 25.465 1.00 21.15 H new ATOM 0 HG23 ILE B 730 -0.108 20.988 25.911 1.00 21.15 H new ATOM 0 HD11 ILE B 730 -3.651 22.207 24.417 1.00 18.51 H new ATOM 0 HD12 ILE B 730 -2.510 23.127 23.818 1.00 18.51 H new ATOM 0 HD13 ILE B 730 -2.235 21.588 24.072 1.00 18.51 H new ATOM 1790 N PRO B 731 1.960 23.032 28.134 1.00 21.71 N ATOM 1791 CA PRO B 731 1.752 21.747 28.840 1.00 24.95 C ATOM 1792 C PRO B 731 0.969 21.945 30.114 1.00 24.40 C ATOM 1793 O PRO B 731 0.783 23.108 30.539 1.00 24.51 O ATOM 1794 CB PRO B 731 3.182 21.292 29.200 1.00 26.59 C ATOM 1795 CG PRO B 731 4.075 22.475 28.929 1.00 25.72 C ATOM 1796 CD PRO B 731 3.316 23.572 28.294 1.00 26.14 C ATOM 0 HA PRO B 731 1.258 21.112 28.298 1.00 24.95 H new ATOM 0 HB2 PRO B 731 3.237 21.022 30.130 1.00 26.59 H new ATOM 0 HB3 PRO B 731 3.448 20.527 28.666 1.00 26.59 H new ATOM 0 HG2 PRO B 731 4.467 22.786 29.760 1.00 25.72 H new ATOM 0 HG3 PRO B 731 4.808 22.207 28.352 1.00 25.72 H new ATOM 0 HD2 PRO B 731 3.316 24.369 28.847 1.00 26.14 H new ATOM 0 HD3 PRO B 731 3.701 23.820 27.439 1.00 26.14 H new ATOM 1797 N SER B 732 0.454 20.851 30.662 1.00 22.85 N ATOM 1798 CA SER B 732 -0.351 20.916 31.909 1.00 25.12 C ATOM 1799 C SER B 732 0.346 21.712 33.033 1.00 29.49 C ATOM 1800 O SER B 732 1.567 21.797 33.101 1.00 30.50 O ATOM 1801 CB SER B 732 -0.583 19.573 32.466 1.00 28.16 C ATOM 1802 OG SER B 732 -1.386 18.837 31.601 1.00 35.99 O ATOM 0 H SER B 732 0.551 20.059 30.340 1.00 22.85 H new ATOM 0 HA SER B 732 -1.177 21.351 31.645 1.00 25.12 H new ATOM 0 HB2 SER B 732 0.263 19.119 32.600 1.00 28.16 H new ATOM 0 HB3 SER B 732 -1.008 19.643 33.335 1.00 28.16 H new ATOM 0 HG SER B 732 -2.079 18.588 32.005 1.00 35.99 H new ATOM 1803 N VAL B 733 -0.456 22.387 33.825 1.00 28.26 N ATOM 1804 CA VAL B 733 0.075 23.342 34.811 1.00 29.30 C ATOM 1805 C VAL B 733 0.946 22.522 35.759 1.00 28.95 C ATOM 1806 O VAL B 733 0.561 21.410 36.107 1.00 29.45 O ATOM 1807 CB VAL B 733 -1.031 24.030 35.625 1.00 27.09 C ATOM 1808 CG1 VAL B 733 -0.414 24.956 36.680 1.00 28.77 C ATOM 1809 CG2 VAL B 733 -1.935 24.863 34.729 1.00 24.23 C ATOM 0 H VAL B 733 -1.313 22.317 33.819 1.00 28.26 H new ATOM 0 HA VAL B 733 0.561 24.045 34.353 1.00 29.30 H new ATOM 0 HB VAL B 733 -1.554 23.333 36.052 1.00 27.09 H new ATOM 0 HG11 VAL B 733 -1.121 25.385 37.188 1.00 28.77 H new ATOM 0 HG12 VAL B 733 0.145 24.437 37.279 1.00 28.77 H new ATOM 0 HG13 VAL B 733 0.125 25.633 36.241 1.00 28.77 H new ATOM 0 HG21 VAL B 733 -2.623 25.286 35.266 1.00 24.23 H new ATOM 0 HG22 VAL B 733 -1.409 25.545 34.283 1.00 24.23 H new ATOM 0 HG23 VAL B 733 -2.350 24.290 34.065 1.00 24.23 H new ATOM 1810 N GLU B 734 2.129 23.046 36.111 1.00 35.99 N ATOM 1811 CA GLU B 734 2.972 22.465 37.212 1.00 44.97 C ATOM 1812 C GLU B 734 2.376 22.969 38.529 1.00 45.56 C ATOM 1813 O GLU B 734 2.654 24.110 38.964 1.00 43.35 O ATOM 1814 CB GLU B 734 4.430 22.910 37.105 1.00 50.37 C ATOM 1815 CG GLU B 734 5.118 22.467 35.815 1.00 59.84 C ATOM 1816 CD GLU B 734 5.004 23.454 34.667 1.00 70.35 C ATOM 1817 OE1 GLU B 734 4.615 24.618 34.912 1.00 80.31 O ATOM 1818 OE2 GLU B 734 5.297 23.068 33.501 1.00 87.94 O ATOM 0 H GLU B 734 2.474 23.738 35.734 1.00 35.99 H new ATOM 0 HA GLU B 734 2.968 21.497 37.156 1.00 44.97 H new ATOM 0 HB2 GLU B 734 4.469 23.877 37.167 1.00 50.37 H new ATOM 0 HB3 GLU B 734 4.923 22.557 37.862 1.00 50.37 H new ATOM 0 HG2 GLU B 734 6.057 22.311 36.000 1.00 59.84 H new ATOM 0 HG3 GLU B 734 4.740 21.619 35.535 1.00 59.84 H new ATOM 1819 N ALA B 735 1.498 22.150 39.113 1.00 49.45 N ATOM 1820 CA ALA B 735 0.753 22.502 40.333 1.00 57.59 C ATOM 1821 C ALA B 735 1.686 22.830 41.528 1.00 63.69 C ATOM 1822 O ALA B 735 1.415 23.757 42.313 1.00 72.85 O ATOM 1823 CB ALA B 735 -0.237 21.383 40.696 1.00 56.86 C ATOM 0 H ALA B 735 1.314 21.366 38.811 1.00 49.45 H new ATOM 0 HA ALA B 735 0.256 23.313 40.142 1.00 57.59 H new ATOM 0 HB1 ALA B 735 -0.721 21.627 41.501 1.00 56.86 H new ATOM 0 HB2 ALA B 735 -0.865 21.257 39.967 1.00 56.86 H new ATOM 0 HB3 ALA B 735 0.249 20.558 40.849 1.00 56.86 H new ATOM 1824 N ASN B 736 2.766 22.056 41.632 1.00 59.97 N ATOM 1825 CA ASN B 736 3.875 22.269 42.570 1.00 71.02 C ATOM 1826 C ASN B 736 4.612 23.629 42.542 1.00 75.87 C ATOM 1827 O ASN B 736 5.250 23.963 43.537 1.00 79.90 O ATOM 1828 CB ASN B 736 4.946 21.227 42.260 1.00 77.40 C ATOM 1829 CG ASN B 736 5.494 21.389 40.842 1.00 80.39 C ATOM 1830 OD1 ASN B 736 4.783 21.141 39.861 1.00 85.28 O ATOM 1831 ND2 ASN B 736 6.724 21.885 40.727 1.00 86.07 N ATOM 0 H ASN B 736 2.879 21.362 41.137 1.00 59.97 H new ATOM 0 HA ASN B 736 3.448 22.217 43.439 1.00 71.02 H new ATOM 0 HB2 ASN B 736 5.671 21.307 42.899 1.00 77.40 H new ATOM 0 HB3 ASN B 736 4.573 20.338 42.364 1.00 77.40 H new ATOM 0 HD21 ASN B 736 7.052 22.045 39.948 1.00 86.07 H new ATOM 0 HD22 ASN B 736 7.191 22.045 41.431 1.00 86.07 H new ATOM 1832 N LYS B 737 4.572 24.368 41.415 1.00 79.42 N ATOM 1833 CA LYS B 737 5.477 25.530 41.144 1.00 79.08 C ATOM 1834 C LYS B 737 4.919 26.866 41.594 1.00 76.51 C ATOM 1835 O LYS B 737 3.710 27.079 41.538 1.00 68.12 O ATOM 1836 CB LYS B 737 5.799 25.651 39.646 1.00 79.09 C ATOM 1837 CG LYS B 737 7.039 24.892 39.208 1.00 83.65 C ATOM 1838 CD LYS B 737 7.669 25.493 37.969 1.00 85.26 C ATOM 1839 CE LYS B 737 8.070 26.941 38.198 1.00 89.95 C ATOM 1840 NZ LYS B 737 9.281 27.311 37.427 1.00 94.13 N ATOM 0 H LYS B 737 4.017 24.213 40.777 1.00 79.42 H new ATOM 0 HA LYS B 737 6.274 25.338 41.663 1.00 79.08 H new ATOM 0 HB2 LYS B 737 5.039 25.329 39.136 1.00 79.09 H new ATOM 0 HB3 LYS B 737 5.912 26.589 39.425 1.00 79.09 H new ATOM 0 HG2 LYS B 737 7.687 24.890 39.930 1.00 83.65 H new ATOM 0 HG3 LYS B 737 6.805 23.967 39.034 1.00 83.65 H new ATOM 0 HD2 LYS B 737 8.450 24.975 37.717 1.00 85.26 H new ATOM 0 HD3 LYS B 737 7.044 25.442 37.229 1.00 85.26 H new ATOM 0 HE2 LYS B 737 7.336 27.523 37.945 1.00 89.95 H new ATOM 0 HE3 LYS B 737 8.233 27.085 39.143 1.00 89.95 H new ATOM 0 HZ1 LYS B 737 9.485 28.163 37.585 1.00 94.13 H new ATOM 0 HZ2 LYS B 737 9.961 26.792 37.674 1.00 94.13 H new ATOM 0 HZ3 LYS B 737 9.125 27.200 36.558 1.00 94.13 H new ATOM 1841 N ASN B 738 5.810 27.772 42.006 1.00 76.83 N ATOM 1842 CA ASN B 738 5.396 29.029 42.646 1.00 73.89 C ATOM 1843 C ASN B 738 6.582 30.002 42.869 1.00 68.93 C ATOM 1844 O ASN B 738 7.270 29.887 43.870 1.00 70.23 O ATOM 1845 CB ASN B 738 4.681 28.731 43.981 1.00 79.18 C ATOM 1846 CG ASN B 738 3.696 29.814 44.367 1.00 85.39 C ATOM 1847 OD1 ASN B 738 4.047 30.991 44.419 1.00 97.19 O ATOM 1848 ND2 ASN B 738 2.454 29.423 44.626 1.00 83.83 N ATOM 0 H ASN B 738 6.661 27.679 41.925 1.00 76.83 H new ATOM 0 HA ASN B 738 4.781 29.472 42.041 1.00 73.89 H new ATOM 0 HB2 ASN B 738 4.214 27.883 43.912 1.00 79.18 H new ATOM 0 HB3 ASN B 738 5.342 28.634 44.684 1.00 79.18 H new ATOM 0 HD21 ASN B 738 1.857 30.003 44.841 1.00 83.83 H new ATOM 0 HD22 ASN B 738 2.247 28.590 44.579 1.00 83.83 H new ATOM 1849 N PRO B 739 6.806 30.986 41.996 1.00 58.12 N ATOM 1850 CA PRO B 739 5.830 31.429 41.012 1.00 53.61 C ATOM 1851 C PRO B 739 5.788 30.555 39.747 1.00 44.52 C ATOM 1852 O PRO B 739 6.792 29.907 39.364 1.00 44.07 O ATOM 1853 CB PRO B 739 6.291 32.859 40.684 1.00 51.49 C ATOM 1854 CG PRO B 739 7.763 32.811 40.847 1.00 54.14 C ATOM 1855 CD PRO B 739 8.022 31.818 41.965 1.00 52.75 C ATOM 0 HA PRO B 739 4.925 31.374 41.357 1.00 53.61 H new ATOM 0 HB2 PRO B 739 6.042 33.114 39.782 1.00 51.49 H new ATOM 0 HB3 PRO B 739 5.889 33.507 41.283 1.00 51.49 H new ATOM 0 HG2 PRO B 739 8.195 32.531 40.025 1.00 54.14 H new ATOM 0 HG3 PRO B 739 8.117 33.686 41.070 1.00 54.14 H new ATOM 0 HD2 PRO B 739 8.813 31.284 41.789 1.00 52.75 H new ATOM 0 HD3 PRO B 739 8.166 32.268 42.812 1.00 52.75 H new ATOM 1856 N TRP B 740 4.605 30.548 39.144 1.00 36.41 N ATOM 1857 CA TRP B 740 4.317 29.861 37.874 1.00 33.37 C ATOM 1858 C TRP B 740 3.909 30.928 36.867 1.00 31.18 C ATOM 1859 O TRP B 740 3.022 31.789 37.152 1.00 36.15 O ATOM 1860 CB TRP B 740 3.163 28.876 38.074 1.00 34.87 C ATOM 1861 CG TRP B 740 2.768 28.172 36.831 1.00 30.72 C ATOM 1862 CD1 TRP B 740 3.405 27.132 36.273 1.00 32.19 C ATOM 1863 CD2 TRP B 740 1.633 28.460 35.995 1.00 27.80 C ATOM 1864 NE1 TRP B 740 2.782 26.761 35.117 1.00 29.45 N ATOM 1865 CE2 TRP B 740 1.674 27.553 34.927 1.00 28.31 C ATOM 1866 CE3 TRP B 740 0.600 29.405 36.049 1.00 29.02 C ATOM 1867 CZ2 TRP B 740 0.709 27.551 33.889 1.00 25.15 C ATOM 1868 CZ3 TRP B 740 -0.385 29.396 35.068 1.00 26.04 C ATOM 1869 CH2 TRP B 740 -0.306 28.455 33.985 1.00 26.21 C ATOM 0 H TRP B 740 3.920 30.955 39.468 1.00 36.41 H new ATOM 0 HA TRP B 740 5.093 29.369 37.562 1.00 33.37 H new ATOM 0 HB2 TRP B 740 3.418 28.220 38.742 1.00 34.87 H new ATOM 0 HB3 TRP B 740 2.395 29.354 38.425 1.00 34.87 H new ATOM 0 HD1 TRP B 740 4.163 26.722 36.624 1.00 32.19 H new ATOM 0 HE1 TRP B 740 3.041 26.132 34.591 1.00 29.45 H new ATOM 0 HE3 TRP B 740 0.573 30.033 36.735 1.00 29.02 H new ATOM 0 HZ2 TRP B 740 0.766 26.959 33.174 1.00 25.15 H new ATOM 0 HZ3 TRP B 740 -1.093 29.997 35.113 1.00 26.04 H new ATOM 0 HH2 TRP B 740 -0.967 28.463 33.331 1.00 26.21 H new ATOM 1870 N SER B 741 4.539 30.899 35.695 1.00 25.40 N ATOM 1871 CA SER B 741 4.202 31.762 34.590 1.00 25.28 C ATOM 1872 C SER B 741 3.590 30.870 33.508 1.00 28.61 C ATOM 1873 O SER B 741 4.151 29.766 33.227 1.00 23.72 O ATOM 1874 CB SER B 741 5.440 32.405 34.026 1.00 28.36 C ATOM 1875 OG SER B 741 5.769 33.582 34.708 1.00 33.90 O ATOM 0 H SER B 741 5.188 30.361 35.525 1.00 25.40 H new ATOM 0 HA SER B 741 3.595 32.460 34.882 1.00 25.28 H new ATOM 0 HB2 SER B 741 6.181 31.782 34.079 1.00 28.36 H new ATOM 0 HB3 SER B 741 5.303 32.603 33.086 1.00 28.36 H new ATOM 0 HG SER B 741 5.162 34.151 34.594 1.00 33.90 H new ATOM 1876 N CYS B 742 2.543 31.395 32.856 1.00 23.16 N ATOM 1877 CA CYS B 742 1.860 30.676 31.779 1.00 22.34 C ATOM 1878 C CYS B 742 2.643 30.708 30.459 1.00 21.96 C ATOM 1879 O CYS B 742 3.573 31.489 30.285 1.00 21.83 O ATOM 1880 CB CYS B 742 0.470 31.322 31.599 1.00 21.55 C ATOM 1881 SG CYS B 742 0.366 32.814 30.630 1.00 22.47 S ATOM 0 H CYS B 742 2.214 32.171 33.026 1.00 23.16 H new ATOM 0 HA CYS B 742 1.784 29.740 32.021 1.00 22.34 H new ATOM 0 HB2 CYS B 742 -0.115 30.662 31.194 1.00 21.55 H new ATOM 0 HB3 CYS B 742 0.114 31.514 32.481 1.00 21.55 H new ATOM 1882 N ILE B 743 2.160 29.957 29.460 1.00 21.46 N ATOM 1883 CA ILE B 743 2.766 29.866 28.183 1.00 20.55 C ATOM 1884 C ILE B 743 2.735 31.188 27.386 1.00 22.76 C ATOM 1885 O ILE B 743 3.699 31.520 26.681 1.00 19.68 O ATOM 1886 CB ILE B 743 2.213 28.723 27.367 1.00 23.30 C ATOM 1887 CG1 ILE B 743 3.122 28.465 26.140 1.00 23.22 C ATOM 1888 CG2 ILE B 743 0.755 28.941 26.965 1.00 22.24 C ATOM 1889 CD1 ILE B 743 2.916 27.069 25.577 1.00 25.31 C ATOM 0 H ILE B 743 1.447 29.482 29.535 1.00 21.46 H new ATOM 0 HA ILE B 743 3.701 29.679 28.361 1.00 20.55 H new ATOM 0 HB ILE B 743 2.214 27.929 27.924 1.00 23.30 H new ATOM 0 HG12 ILE B 743 2.934 29.123 25.453 1.00 23.22 H new ATOM 0 HG13 ILE B 743 4.051 28.578 26.395 1.00 23.22 H new ATOM 0 HG21 ILE B 743 0.446 28.183 26.444 1.00 22.24 H new ATOM 0 HG22 ILE B 743 0.209 29.030 27.762 1.00 22.24 H new ATOM 0 HG23 ILE B 743 0.683 29.749 26.433 1.00 22.24 H new ATOM 0 HD11 ILE B 743 3.498 26.939 24.812 1.00 25.31 H new ATOM 0 HD12 ILE B 743 3.126 26.411 26.258 1.00 25.31 H new ATOM 0 HD13 ILE B 743 1.992 26.964 25.301 1.00 25.31 H new ATOM 1890 N PHE B 744 1.677 31.975 27.531 1.00 20.84 N ATOM 1891 CA PHE B 744 1.689 33.335 26.903 1.00 20.32 C ATOM 1892 C PHE B 744 2.883 34.164 27.384 1.00 21.65 C ATOM 1893 O PHE B 744 3.585 34.769 26.572 1.00 24.27 O ATOM 1894 CB PHE B 744 0.369 34.127 27.176 1.00 22.82 C ATOM 1895 CG PHE B 744 -0.880 33.529 26.590 1.00 22.13 C ATOM 1896 CD1 PHE B 744 -1.475 32.418 27.107 1.00 22.61 C ATOM 1897 CD2 PHE B 744 -1.424 34.057 25.462 1.00 22.18 C ATOM 1898 CE1 PHE B 744 -2.601 31.887 26.516 1.00 21.48 C ATOM 1899 CE2 PHE B 744 -2.549 33.535 24.871 1.00 22.75 C ATOM 1900 CZ PHE B 744 -3.147 32.458 25.406 1.00 21.38 C ATOM 0 H PHE B 744 0.963 31.772 27.965 1.00 20.84 H new ATOM 0 HA PHE B 744 1.765 33.187 25.947 1.00 20.32 H new ATOM 0 HB2 PHE B 744 0.251 34.207 28.135 1.00 22.82 H new ATOM 0 HB3 PHE B 744 0.472 35.026 26.827 1.00 22.82 H new ATOM 0 HD1 PHE B 744 -1.118 32.014 27.865 1.00 22.61 H new ATOM 0 HD2 PHE B 744 -1.019 34.800 25.076 1.00 22.18 H new ATOM 0 HE1 PHE B 744 -2.994 31.127 26.880 1.00 21.48 H new ATOM 0 HE2 PHE B 744 -2.896 33.927 24.102 1.00 22.75 H new ATOM 0 HZ PHE B 744 -3.920 32.108 25.026 1.00 21.38 H new ATOM 1901 N CYS B 745 3.093 34.194 28.704 1.00 21.51 N ATOM 1902 CA CYS B 745 4.210 34.846 29.355 1.00 24.09 C ATOM 1903 C CYS B 745 5.581 34.303 28.924 1.00 25.98 C ATOM 1904 O CYS B 745 6.476 35.057 28.563 1.00 24.77 O ATOM 1905 CB CYS B 745 4.047 34.757 30.850 1.00 26.59 C ATOM 1906 SG CYS B 745 2.734 35.905 31.445 1.00 29.55 S ATOM 0 H CYS B 745 2.559 33.815 29.261 1.00 21.51 H new ATOM 0 HA CYS B 745 4.196 35.774 29.073 1.00 24.09 H new ATOM 0 HB2 CYS B 745 3.823 33.847 31.100 1.00 26.59 H new ATOM 0 HB3 CYS B 745 4.888 34.971 31.283 1.00 26.59 H new ATOM 1907 N ARG B 746 5.706 32.982 28.866 1.00 24.70 N ATOM 1908 CA ARG B 746 6.953 32.342 28.405 1.00 23.59 C ATOM 1909 C ARG B 746 7.323 32.592 26.967 1.00 25.66 C ATOM 1910 O ARG B 746 8.508 32.748 26.659 1.00 27.35 O ATOM 1911 CB ARG B 746 6.916 30.828 28.698 1.00 23.80 C ATOM 1912 CG ARG B 746 6.882 30.580 30.191 1.00 24.46 C ATOM 1913 CD ARG B 746 6.554 29.134 30.538 1.00 25.64 C ATOM 1914 NE ARG B 746 7.583 28.207 30.041 1.00 27.02 N ATOM 1915 CZ ARG B 746 7.505 26.860 30.074 1.00 26.01 C ATOM 1916 NH1 ARG B 746 6.389 26.231 30.487 1.00 28.36 N ATOM 1917 NH2 ARG B 746 8.561 26.139 29.636 1.00 26.75 N ATOM 0 H ARG B 746 5.084 32.431 29.088 1.00 24.70 H new ATOM 0 HA ARG B 746 7.656 32.773 28.916 1.00 23.59 H new ATOM 0 HB2 ARG B 746 6.136 30.431 28.280 1.00 23.80 H new ATOM 0 HB3 ARG B 746 7.695 30.399 28.311 1.00 23.80 H new ATOM 0 HG2 ARG B 746 7.742 30.814 30.574 1.00 24.46 H new ATOM 0 HG3 ARG B 746 6.223 31.164 30.597 1.00 24.46 H new ATOM 0 HD2 ARG B 746 6.473 29.042 31.500 1.00 25.64 H new ATOM 0 HD3 ARG B 746 5.694 28.897 30.157 1.00 25.64 H new ATOM 0 HE ARG B 746 8.293 28.552 29.701 1.00 27.02 H new ATOM 0 HH11 ARG B 746 5.705 26.689 30.737 1.00 28.36 H new ATOM 0 HH12 ARG B 746 6.360 25.372 30.500 1.00 28.36 H new ATOM 0 HH21 ARG B 746 9.264 26.540 29.344 1.00 26.75 H new ATOM 0 HH22 ARG B 746 8.530 25.280 29.649 1.00 26.75 H new ATOM 1918 N ILE B 747 6.334 32.571 26.085 1.00 24.10 N ATOM 1919 CA ILE B 747 6.502 32.864 24.713 1.00 23.93 C ATOM 1920 C ILE B 747 6.911 34.336 24.551 1.00 26.34 C ATOM 1921 O ILE B 747 7.816 34.670 23.760 1.00 25.21 O ATOM 1922 CB ILE B 747 5.244 32.541 23.923 1.00 24.65 C ATOM 1923 CG1 ILE B 747 5.069 30.990 23.818 1.00 27.29 C ATOM 1924 CG2 ILE B 747 5.245 33.184 22.560 1.00 27.19 C ATOM 1925 CD1 ILE B 747 6.071 30.314 22.892 1.00 28.73 C ATOM 0 H ILE B 747 5.524 32.376 26.296 1.00 24.10 H new ATOM 0 HA ILE B 747 7.209 32.305 24.354 1.00 23.93 H new ATOM 0 HB ILE B 747 4.487 32.914 24.401 1.00 24.65 H new ATOM 0 HG12 ILE B 747 5.150 30.604 24.704 1.00 27.29 H new ATOM 0 HG13 ILE B 747 4.172 30.796 23.505 1.00 27.29 H new ATOM 0 HG21 ILE B 747 4.427 32.953 22.092 1.00 27.19 H new ATOM 0 HG22 ILE B 747 5.300 34.148 22.657 1.00 27.19 H new ATOM 0 HG23 ILE B 747 6.008 32.866 22.053 1.00 27.19 H new ATOM 0 HD11 ILE B 747 5.904 29.359 22.876 1.00 28.73 H new ATOM 0 HD12 ILE B 747 5.977 30.673 21.996 1.00 28.73 H new ATOM 0 HD13 ILE B 747 6.971 30.479 23.213 1.00 28.73 H new ATOM 1926 N LYS B 748 6.269 35.214 25.288 1.00 27.24 N ATOM 1927 CA LYS B 748 6.621 36.665 25.165 1.00 34.02 C ATOM 1928 C LYS B 748 8.073 36.914 25.632 1.00 31.43 C ATOM 1929 O LYS B 748 8.811 37.678 24.996 1.00 29.03 O ATOM 1930 CB LYS B 748 5.648 37.502 25.948 1.00 37.65 C ATOM 1931 CG LYS B 748 5.853 39.019 25.797 1.00 43.28 C ATOM 1932 CD LYS B 748 4.813 39.796 26.588 1.00 52.54 C ATOM 1933 CE LYS B 748 4.893 39.498 28.083 1.00 57.28 C ATOM 1934 NZ LYS B 748 4.247 40.560 28.921 1.00 71.43 N ATOM 0 H LYS B 748 5.647 35.029 25.852 1.00 27.24 H new ATOM 0 HA LYS B 748 6.562 36.923 24.232 1.00 34.02 H new ATOM 0 HB2 LYS B 748 4.747 37.279 25.668 1.00 37.65 H new ATOM 0 HB3 LYS B 748 5.719 37.269 26.887 1.00 37.65 H new ATOM 0 HG2 LYS B 748 6.742 39.260 26.102 1.00 43.28 H new ATOM 0 HG3 LYS B 748 5.799 39.263 24.860 1.00 43.28 H new ATOM 0 HD2 LYS B 748 4.940 40.746 26.441 1.00 52.54 H new ATOM 0 HD3 LYS B 748 3.927 39.574 26.262 1.00 52.54 H new ATOM 0 HE2 LYS B 748 4.466 38.646 28.262 1.00 57.28 H new ATOM 0 HE3 LYS B 748 5.824 39.409 28.342 1.00 57.28 H new ATOM 0 HZ1 LYS B 748 4.318 40.344 29.781 1.00 71.43 H new ATOM 0 HZ2 LYS B 748 4.652 41.339 28.777 1.00 71.43 H new ATOM 0 HZ3 LYS B 748 3.387 40.628 28.703 1.00 71.43 H new ATOM 1935 N THR B 749 8.485 36.261 26.719 1.00 31.12 N ATOM 1936 CA THR B 749 9.872 36.328 27.170 1.00 33.40 C ATOM 1937 C THR B 749 10.875 35.975 26.035 1.00 36.53 C ATOM 1938 O THR B 749 11.801 36.732 25.753 1.00 38.75 O ATOM 1939 CB THR B 749 10.115 35.499 28.442 1.00 33.18 C ATOM 1940 OG1 THR B 749 9.426 36.114 29.517 1.00 30.72 O ATOM 1941 CG2 THR B 749 11.578 35.527 28.852 1.00 36.09 C ATOM 0 H THR B 749 7.974 35.773 27.209 1.00 31.12 H new ATOM 0 HA THR B 749 10.039 37.253 27.411 1.00 33.40 H new ATOM 0 HB THR B 749 9.824 34.592 28.258 1.00 33.18 H new ATOM 0 HG1 THR B 749 8.630 35.845 29.531 1.00 30.72 H new ATOM 0 HG21 THR B 749 11.699 34.997 29.655 1.00 36.09 H new ATOM 0 HG22 THR B 749 12.122 35.160 28.137 1.00 36.09 H new ATOM 0 HG23 THR B 749 11.848 36.442 29.026 1.00 36.09 H new ATOM 1942 N ILE B 750 10.607 34.894 25.330 1.00 32.99 N ATOM 1943 CA ILE B 750 11.370 34.482 24.162 1.00 33.37 C ATOM 1944 C ILE B 750 11.328 35.480 23.014 1.00 35.88 C ATOM 1945 O ILE B 750 12.373 35.781 22.405 1.00 31.85 O ATOM 1946 CB ILE B 750 10.898 33.099 23.656 1.00 33.45 C ATOM 1947 CG1 ILE B 750 11.276 32.054 24.715 1.00 31.23 C ATOM 1948 CG2 ILE B 750 11.529 32.782 22.299 1.00 32.69 C ATOM 1949 CD1 ILE B 750 10.624 30.711 24.521 1.00 32.61 C ATOM 0 H ILE B 750 9.959 34.362 25.520 1.00 32.99 H new ATOM 0 HA ILE B 750 12.291 34.434 24.461 1.00 33.37 H new ATOM 0 HB ILE B 750 9.937 33.093 23.526 1.00 33.45 H new ATOM 0 HG12 ILE B 750 12.239 31.938 24.710 1.00 31.23 H new ATOM 0 HG13 ILE B 750 11.036 32.395 25.591 1.00 31.23 H new ATOM 0 HG21 ILE B 750 11.224 31.913 21.995 1.00 32.69 H new ATOM 0 HG22 ILE B 750 11.269 33.459 21.655 1.00 32.69 H new ATOM 0 HG23 ILE B 750 12.495 32.773 22.385 1.00 32.69 H new ATOM 0 HD11 ILE B 750 10.910 30.108 25.225 1.00 32.61 H new ATOM 0 HD12 ILE B 750 9.660 30.811 24.554 1.00 32.61 H new ATOM 0 HD13 ILE B 750 10.882 30.347 23.659 1.00 32.61 H new ATOM 1950 N GLN B 751 10.143 35.992 22.710 1.00 32.60 N ATOM 1951 CA GLN B 751 9.989 36.956 21.639 1.00 34.99 C ATOM 1952 C GLN B 751 10.806 38.231 21.896 1.00 30.76 C ATOM 1953 O GLN B 751 11.423 38.740 21.003 1.00 38.58 O ATOM 1954 CB GLN B 751 8.506 37.262 21.380 1.00 36.35 C ATOM 1955 CG GLN B 751 7.815 36.032 20.776 1.00 42.60 C ATOM 1956 CD GLN B 751 6.313 36.204 20.469 1.00 43.72 C ATOM 1957 OE1 GLN B 751 5.601 37.038 21.063 1.00 42.14 O ATOM 1958 NE2 GLN B 751 5.835 35.396 19.526 1.00 42.12 N ATOM 0 H GLN B 751 9.413 35.791 23.117 1.00 32.60 H new ATOM 0 HA GLN B 751 10.347 36.557 20.831 1.00 34.99 H new ATOM 0 HB2 GLN B 751 8.070 37.513 22.209 1.00 36.35 H new ATOM 0 HB3 GLN B 751 8.424 38.017 20.777 1.00 36.35 H new ATOM 0 HG2 GLN B 751 8.273 35.793 19.955 1.00 42.60 H new ATOM 0 HG3 GLN B 751 7.922 35.287 21.387 1.00 42.60 H new ATOM 0 HE21 GLN B 751 6.356 34.833 19.138 1.00 42.12 H new ATOM 0 HE22 GLN B 751 5.005 35.437 19.305 1.00 42.12 H new ATOM 1959 N GLU B 752 10.842 38.670 23.141 1.00 35.72 N ATOM 1960 CA GLU B 752 11.447 39.946 23.542 1.00 38.85 C ATOM 1961 C GLU B 752 12.968 39.884 23.776 1.00 45.95 C ATOM 1962 O GLU B 752 13.567 40.940 24.089 1.00 37.87 O ATOM 1963 CB GLU B 752 10.806 40.427 24.844 1.00 42.37 C ATOM 1964 CG GLU B 752 9.403 40.955 24.615 1.00 45.12 C ATOM 1965 CD GLU B 752 8.669 41.220 25.894 1.00 53.76 C ATOM 1966 OE1 GLU B 752 9.192 40.874 26.987 1.00 50.73 O ATOM 1967 OE2 GLU B 752 7.535 41.750 25.785 1.00 64.88 O ATOM 0 H GLU B 752 10.509 38.229 23.800 1.00 35.72 H new ATOM 0 HA GLU B 752 11.288 40.550 22.800 1.00 38.85 H new ATOM 0 HB2 GLU B 752 10.777 39.696 25.481 1.00 42.37 H new ATOM 0 HB3 GLU B 752 11.354 41.124 25.237 1.00 42.37 H new ATOM 0 HG2 GLU B 752 9.450 41.774 24.098 1.00 45.12 H new ATOM 0 HG3 GLU B 752 8.903 40.314 24.086 1.00 45.12 H new ATOM 1968 N ARG B 753 13.595 38.700 23.633 1.00 39.03 N ATOM 1969 CA ARG B 753 14.987 38.550 24.058 1.00 37.77 C ATOM 1970 C ARG B 753 15.928 39.422 23.213 1.00 40.12 C ATOM 1971 O ARG B 753 16.766 40.227 23.733 1.00 35.41 O ATOM 1972 CB ARG B 753 15.407 37.095 23.951 1.00 36.91 C ATOM 1973 CG ARG B 753 16.761 36.801 24.569 1.00 37.20 C ATOM 1974 CD ARG B 753 16.892 35.300 24.733 1.00 38.09 C ATOM 1975 NE ARG B 753 16.487 34.599 23.509 1.00 39.20 N ATOM 1976 CZ ARG B 753 15.808 33.441 23.459 1.00 39.67 C ATOM 1977 NH1 ARG B 753 15.406 32.774 24.578 1.00 35.87 N ATOM 1978 NH2 ARG B 753 15.541 32.943 22.271 1.00 36.99 N ATOM 0 H ARG B 753 13.236 37.993 23.300 1.00 39.03 H new ATOM 0 HA ARG B 753 15.050 38.842 24.981 1.00 37.77 H new ATOM 0 HB2 ARG B 753 14.737 36.541 24.382 1.00 36.91 H new ATOM 0 HB3 ARG B 753 15.426 36.841 23.015 1.00 36.91 H new ATOM 0 HG2 ARG B 753 17.472 37.143 24.004 1.00 37.20 H new ATOM 0 HG3 ARG B 753 16.844 37.244 25.428 1.00 37.20 H new ATOM 0 HD2 ARG B 753 17.810 35.074 24.950 1.00 38.09 H new ATOM 0 HD3 ARG B 753 16.343 35.003 25.476 1.00 38.09 H new ATOM 0 HE ARG B 753 16.703 34.961 22.759 1.00 39.20 H new ATOM 0 HH11 ARG B 753 15.586 33.093 25.356 1.00 35.87 H new ATOM 0 HH12 ARG B 753 14.973 32.035 24.506 1.00 35.87 H new ATOM 0 HH21 ARG B 753 15.799 33.357 21.563 1.00 36.99 H new ATOM 0 HH22 ARG B 753 15.108 32.203 22.202 1.00 36.99 H new ATOM 1979 N CYS B 754 15.755 39.275 21.904 1.00 41.11 N ATOM 1980 CA CYS B 754 16.522 40.014 20.900 1.00 42.52 C ATOM 1981 C CYS B 754 15.619 39.986 19.669 1.00 50.15 C ATOM 1982 O CYS B 754 15.697 39.043 18.869 1.00 46.91 O ATOM 1983 CB CYS B 754 17.890 39.377 20.587 1.00 40.64 C ATOM 1984 SG CYS B 754 18.979 40.543 19.643 1.00 44.10 S ATOM 0 H CYS B 754 15.179 38.734 21.566 1.00 41.11 H new ATOM 0 HA CYS B 754 16.739 40.908 21.209 1.00 42.52 H new ATOM 0 HB2 CYS B 754 18.327 39.122 21.415 1.00 40.64 H new ATOM 0 HB3 CYS B 754 17.760 38.565 20.073 1.00 40.64 H new ATOM 0 HG CYS B 754 20.033 40.015 19.420 1.00 44.10 H new ATOM 1985 N PRO B 755 14.711 40.978 19.564 1.00 53.88 N ATOM 1986 CA PRO B 755 13.835 40.952 18.401 1.00 64.84 C ATOM 1987 C PRO B 755 14.620 41.003 17.066 1.00 73.63 C ATOM 1988 O PRO B 755 15.195 42.020 16.725 1.00 61.84 O ATOM 1989 CB PRO B 755 12.912 42.175 18.621 1.00 64.02 C ATOM 1990 CG PRO B 755 12.904 42.388 20.111 1.00 63.04 C ATOM 1991 CD PRO B 755 14.269 41.962 20.583 1.00 60.61 C ATOM 0 HA PRO B 755 13.332 40.126 18.323 1.00 64.84 H new ATOM 0 HB2 PRO B 755 13.247 42.957 18.155 1.00 64.02 H new ATOM 0 HB3 PRO B 755 12.018 42.006 18.285 1.00 64.02 H new ATOM 0 HG2 PRO B 755 12.732 43.317 20.330 1.00 63.04 H new ATOM 0 HG3 PRO B 755 12.208 41.863 20.536 1.00 63.04 H new ATOM 0 HD2 PRO B 755 14.877 42.716 20.636 1.00 60.61 H new ATOM 0 HD3 PRO B 755 14.231 41.565 21.467 1.00 60.61 H new ATOM 1992 N GLU B 756 14.737 39.850 16.405 1.00 90.87 N ATOM 1993 CA GLU B 756 14.808 39.785 14.953 1.00 96.92 C ATOM 1994 C GLU B 756 13.324 39.688 14.625 1.00109.55 C ATOM 1995 O GLU B 756 12.705 38.665 14.924 1.00116.98 O ATOM 1996 CB GLU B 756 15.567 38.541 14.476 1.00 91.05 C ATOM 0 H GLU B 756 14.777 39.083 16.792 1.00 90.87 H new ATOM 0 HA GLU B 756 15.278 40.523 14.534 1.00 96.92 H new ATOM 1997 N SER B 757 12.759 40.769 14.069 1.00120.63 N ATOM 1998 CA SER B 757 11.292 40.985 13.953 1.00130.66 C ATOM 1999 C SER B 757 10.528 39.852 13.233 1.00140.58 C ATOM 2000 O SER B 757 11.129 38.829 12.891 1.00157.69 O ATOM 2001 CB SER B 757 11.035 42.320 13.234 1.00128.70 C ATOM 0 H SER B 757 13.222 41.415 13.740 1.00120.63 H new ATOM 0 HA SER B 757 10.948 40.996 14.860 1.00130.66 H new ATOM 2002 N GLN B 758 9.225 40.020 12.966 1.00136.13 N ATOM 2003 CA GLN B 758 8.509 39.090 12.060 1.00124.94 C ATOM 2004 C GLN B 758 9.056 39.238 10.625 1.00121.85 C ATOM 2005 O GLN B 758 8.305 39.113 9.652 1.00120.44 O ATOM 2006 CB GLN B 758 6.992 39.319 12.094 1.00115.64 C ATOM 0 H GLN B 758 8.741 40.652 13.290 1.00136.13 H new ATOM 0 HA GLN B 758 8.666 38.184 12.368 1.00124.94 H new ATOM 2007 N SER B 759 10.387 39.403 10.529 1.00117.11 N ATOM 2008 CA SER B 759 11.108 39.911 9.359 1.00112.53 C ATOM 2009 C SER B 759 11.041 38.905 8.209 1.00107.92 C ATOM 2010 O SER B 759 11.294 39.260 7.053 1.00120.02 O ATOM 2011 CB SER B 759 12.574 40.214 9.722 1.00104.18 C ATOM 0 H SER B 759 10.915 39.210 11.180 1.00117.11 H new ATOM 0 HA SER B 759 10.684 40.735 9.071 1.00112.53 H new ATOM 2012 N GLY B 760 10.718 37.653 8.542 1.00 84.61 N ATOM 2013 CA GLY B 760 10.259 36.675 7.575 1.00 75.10 C ATOM 2014 C GLY B 760 11.118 35.432 7.666 1.00 68.16 C ATOM 2015 O GLY B 760 12.345 35.538 7.703 1.00 63.02 O ATOM 0 H GLY B 760 10.762 37.352 9.346 1.00 84.61 H new ATOM 0 HA2 GLY B 760 9.330 36.451 7.743 1.00 75.10 H new ATOM 0 HA3 GLY B 760 10.304 37.046 6.680 1.00 75.10 H new ATOM 2016 N HIS B 761 10.460 34.273 7.768 1.00 53.81 N ATOM 2017 CA HIS B 761 11.050 32.980 7.486 1.00 47.69 C ATOM 2018 C HIS B 761 10.156 32.297 6.473 1.00 45.37 C ATOM 2019 O HIS B 761 9.014 32.705 6.286 1.00 44.77 O ATOM 2020 CB HIS B 761 11.117 32.160 8.758 1.00 44.52 C ATOM 2021 CG HIS B 761 11.841 32.842 9.863 1.00 48.63 C ATOM 2022 ND1 HIS B 761 11.207 33.668 10.758 1.00 51.75 N ATOM 2023 CD2 HIS B 761 13.149 32.820 10.229 1.00 47.49 C ATOM 2024 CE1 HIS B 761 12.091 34.118 11.639 1.00 50.60 C ATOM 2025 NE2 HIS B 761 13.274 33.615 11.340 1.00 43.10 N ATOM 0 H HIS B 761 9.636 34.225 8.010 1.00 53.81 H new ATOM 0 HA HIS B 761 11.952 33.075 7.141 1.00 47.69 H new ATOM 0 HB2 HIS B 761 10.215 31.954 9.050 1.00 44.52 H new ATOM 0 HB3 HIS B 761 11.553 31.315 8.567 1.00 44.52 H new ATOM 0 HD1 HIS B 761 10.369 33.863 10.749 1.00 51.75 H new ATOM 0 HD2 HIS B 761 13.833 32.353 9.805 1.00 47.49 H new ATOM 0 HE1 HIS B 761 11.908 34.691 12.348 1.00 50.60 H new ATOM 2026 N GLN B 762 10.682 31.295 5.782 1.00 40.16 N ATOM 2027 CA GLN B 762 9.913 30.528 4.838 1.00 41.15 C ATOM 2028 C GLN B 762 9.368 29.316 5.532 1.00 40.53 C ATOM 2029 O GLN B 762 10.062 28.755 6.360 1.00 43.99 O ATOM 2030 CB GLN B 762 10.805 30.026 3.710 1.00 50.25 C ATOM 2031 CG GLN B 762 11.770 31.064 3.169 1.00 58.24 C ATOM 2032 CD GLN B 762 11.105 32.418 2.992 1.00 69.68 C ATOM 2033 OE1 GLN B 762 10.089 32.536 2.285 1.00 70.40 O ATOM 2034 NE2 GLN B 762 11.652 33.448 3.654 1.00 79.17 N ATOM 0 H GLN B 762 11.502 31.045 5.854 1.00 40.16 H new ATOM 0 HA GLN B 762 9.207 31.092 4.485 1.00 41.15 H new ATOM 0 HB2 GLN B 762 11.312 29.263 4.028 1.00 50.25 H new ATOM 0 HB3 GLN B 762 10.244 29.711 2.984 1.00 50.25 H new ATOM 0 HG2 GLN B 762 12.523 31.151 3.774 1.00 58.24 H new ATOM 0 HG3 GLN B 762 12.123 30.764 2.317 1.00 58.24 H new ATOM 0 HE21 GLN B 762 12.356 33.326 4.133 1.00 79.17 H new ATOM 0 HE22 GLN B 762 11.299 34.230 3.599 1.00 79.17 H new ATOM 2035 N GLU B 763 8.198 28.837 5.126 1.00 40.04 N ATOM 2036 CA GLU B 763 7.587 27.698 5.800 1.00 41.06 C ATOM 2037 C GLU B 763 8.471 26.460 5.706 1.00 40.19 C ATOM 2038 O GLU B 763 8.572 25.722 6.690 1.00 32.26 O ATOM 2039 CB GLU B 763 6.141 27.382 5.295 1.00 42.11 C ATOM 2040 CG GLU B 763 5.517 26.068 5.882 1.00 38.27 C ATOM 2041 CD GLU B 763 4.164 25.674 5.325 1.00 34.50 C ATOM 2042 OE1 GLU B 763 3.230 26.456 5.464 1.00 38.27 O ATOM 2043 OE2 GLU B 763 3.990 24.571 4.757 1.00 37.02 O ATOM 0 H GLU B 763 7.744 29.154 4.468 1.00 40.04 H new ATOM 0 HA GLU B 763 7.505 27.954 6.732 1.00 41.06 H new ATOM 0 HB2 GLU B 763 5.563 28.128 5.518 1.00 42.11 H new ATOM 0 HB3 GLU B 763 6.157 27.315 4.327 1.00 42.11 H new ATOM 0 HG2 GLU B 763 6.137 25.338 5.726 1.00 38.27 H new ATOM 0 HG3 GLU B 763 5.435 26.170 6.843 1.00 38.27 H new ATOM 2044 N SER B 764 9.120 26.237 4.556 1.00 32.98 N ATOM 2045 CA ASER B 764 9.933 25.008 4.349 0.71 34.15 C ATOM 2046 CA BSER B 764 9.950 25.024 4.346 0.29 31.88 C ATOM 2047 C SER B 764 11.065 24.913 5.359 1.00 31.76 C ATOM 2048 O SER B 764 11.382 23.821 5.842 1.00 33.75 O ATOM 2049 CB ASER B 764 10.488 24.983 2.900 0.71 35.56 C ATOM 2050 CB BSER B 764 10.536 24.969 2.916 0.29 30.73 C ATOM 2051 OG ASER B 764 11.295 26.138 2.727 0.71 34.45 O ATOM 2052 OG BSER B 764 9.893 23.966 2.185 0.29 26.27 O ATOM 0 H ASER B 764 9.108 26.774 3.884 0.71 32.98 H new ATOM 0 H BSER B 764 9.097 26.771 3.882 0.29 32.98 H new ATOM 0 HA ASER B 764 9.360 24.237 4.483 0.71 31.88 H new ATOM 0 HA BSER B 764 9.354 24.268 4.466 0.29 31.88 H new ATOM 0 HB2ASER B 764 11.008 24.178 2.749 0.71 30.73 H new ATOM 0 HB2BSER B 764 10.422 25.826 2.476 0.29 30.73 H new ATOM 0 HB3ASER B 764 9.761 24.976 2.257 0.71 30.73 H new ATOM 0 HB3BSER B 764 11.489 24.794 2.954 0.29 30.73 H new ATOM 0 HG ASER B 764 11.609 26.146 1.948 0.71 26.27 H new ATOM 0 HG BSER B 764 10.211 23.938 1.408 0.29 26.27 H new ATOM 2053 N GLU B 765 11.629 26.054 5.716 1.00 30.42 N ATOM 2054 CA GLU B 765 12.673 26.132 6.715 1.00 33.95 C ATOM 2055 C GLU B 765 12.139 25.841 8.128 1.00 34.61 C ATOM 2056 O GLU B 765 12.721 25.033 8.881 1.00 30.29 O ATOM 2057 CB GLU B 765 13.337 27.529 6.716 1.00 33.41 C ATOM 2058 CG GLU B 765 14.507 27.691 7.705 1.00 42.29 C ATOM 2059 CD GLU B 765 14.190 28.417 9.046 1.00 46.21 C ATOM 2060 OE1 GLU B 765 13.335 29.323 9.092 1.00 48.55 O ATOM 2061 OE2 GLU B 765 14.804 28.083 10.108 1.00 44.34 O ATOM 0 H GLU B 765 11.412 26.815 5.379 1.00 30.42 H new ATOM 0 HA GLU B 765 13.328 25.456 6.481 1.00 33.95 H new ATOM 0 HB2 GLU B 765 13.658 27.720 5.821 1.00 33.41 H new ATOM 0 HB3 GLU B 765 12.661 28.194 6.923 1.00 33.41 H new ATOM 0 HG2 GLU B 765 14.853 26.809 7.912 1.00 42.29 H new ATOM 0 HG3 GLU B 765 15.217 28.177 7.258 1.00 42.29 H new ATOM 2062 N VAL B 766 11.066 26.545 8.494 1.00 27.33 N ATOM 2063 CA VAL B 766 10.460 26.359 9.809 1.00 29.17 C ATOM 2064 C VAL B 766 10.122 24.891 10.050 1.00 24.29 C ATOM 2065 O VAL B 766 10.437 24.368 11.106 1.00 24.61 O ATOM 2066 CB VAL B 766 9.161 27.266 9.961 1.00 29.42 C ATOM 2067 CG1 VAL B 766 8.332 26.821 11.186 1.00 29.98 C ATOM 2068 CG2 VAL B 766 9.588 28.716 10.071 1.00 28.80 C ATOM 0 H VAL B 766 10.678 27.131 7.998 1.00 27.33 H new ATOM 0 HA VAL B 766 11.105 26.633 10.480 1.00 29.17 H new ATOM 0 HB VAL B 766 8.593 27.166 9.181 1.00 29.42 H new ATOM 0 HG11 VAL B 766 7.545 27.382 11.265 1.00 29.98 H new ATOM 0 HG12 VAL B 766 8.060 25.897 11.074 1.00 29.98 H new ATOM 0 HG13 VAL B 766 8.870 26.904 11.989 1.00 29.98 H new ATOM 0 HG21 VAL B 766 8.803 29.278 10.164 1.00 28.80 H new ATOM 0 HG22 VAL B 766 10.159 28.827 10.847 1.00 28.80 H new ATOM 0 HG23 VAL B 766 10.075 28.972 9.272 1.00 28.80 H new ATOM 2069 N LEU B 767 9.574 24.214 9.063 1.00 22.84 N ATOM 2070 CA LEU B 767 9.191 22.855 9.251 1.00 24.58 C ATOM 2071 C LEU B 767 10.353 21.912 9.527 1.00 26.59 C ATOM 2072 O LEU B 767 10.174 20.902 10.210 1.00 23.36 O ATOM 2073 CB LEU B 767 8.398 22.281 8.113 1.00 25.57 C ATOM 2074 CG LEU B 767 7.058 22.939 7.758 1.00 29.14 C ATOM 2075 CD1 LEU B 767 6.512 22.319 6.480 1.00 30.59 C ATOM 2076 CD2 LEU B 767 6.100 22.813 8.943 1.00 28.77 C ATOM 0 H LEU B 767 9.419 24.531 8.279 1.00 22.84 H new ATOM 0 HA LEU B 767 8.630 22.908 10.040 1.00 24.58 H new ATOM 0 HB2 LEU B 767 8.958 22.303 7.321 1.00 25.57 H new ATOM 0 HB3 LEU B 767 8.226 21.348 8.313 1.00 25.57 H new ATOM 0 HG LEU B 767 7.174 23.887 7.586 1.00 29.14 H new ATOM 0 HD11 LEU B 767 5.665 22.734 6.255 1.00 30.59 H new ATOM 0 HD12 LEU B 767 7.143 22.460 5.757 1.00 30.59 H new ATOM 0 HD13 LEU B 767 6.380 21.367 6.613 1.00 30.59 H new ATOM 0 HD21 LEU B 767 5.252 23.229 8.720 1.00 28.77 H new ATOM 0 HD22 LEU B 767 5.956 21.875 9.145 1.00 28.77 H new ATOM 0 HD23 LEU B 767 6.482 23.255 9.717 1.00 28.77 H new ATOM 2077 N MET B 768 11.529 22.283 9.039 1.00 29.36 N ATOM 2078 CA MET B 768 12.749 21.469 9.239 1.00 31.18 C ATOM 2079 C MET B 768 13.412 21.701 10.589 1.00 30.85 C ATOM 2080 O MET B 768 14.317 20.898 10.960 1.00 28.31 O ATOM 2081 CB MET B 768 13.729 21.733 8.055 1.00 33.90 C ATOM 2082 CG MET B 768 13.261 21.053 6.786 1.00 37.50 C ATOM 2083 SD MET B 768 12.910 19.284 7.037 1.00 58.14 S ATOM 2084 CE MET B 768 14.526 18.693 7.571 1.00 52.82 C ATOM 0 H MET B 768 11.654 23.003 8.586 1.00 29.36 H new ATOM 0 HA MET B 768 12.492 20.534 9.247 1.00 31.18 H new ATOM 0 HB2 MET B 768 13.805 22.688 7.903 1.00 33.90 H new ATOM 0 HB3 MET B 768 14.614 21.412 8.288 1.00 33.90 H new ATOM 0 HG2 MET B 768 12.462 21.496 6.460 1.00 37.50 H new ATOM 0 HG3 MET B 768 13.940 21.152 6.100 1.00 37.50 H new ATOM 0 HE1 MET B 768 14.521 17.724 7.607 1.00 52.82 H new ATOM 0 HE2 MET B 768 15.203 18.989 6.943 1.00 52.82 H new ATOM 0 HE3 MET B 768 14.726 19.047 8.452 1.00 52.82 H new ATOM 2085 N ARG B 769 12.956 22.710 11.360 1.00 24.43 N ATOM 2086 CA ARG B 769 13.530 22.940 12.658 1.00 26.85 C ATOM 2087 C ARG B 769 13.335 21.752 13.592 1.00 27.11 C ATOM 2088 O ARG B 769 12.223 21.215 13.683 1.00 24.06 O ATOM 2089 CB ARG B 769 12.973 24.161 13.317 1.00 28.13 C ATOM 2090 CG ARG B 769 13.430 25.437 12.622 1.00 32.36 C ATOM 2091 CD ARG B 769 12.846 26.644 13.300 1.00 34.31 C ATOM 2092 NE ARG B 769 12.925 27.800 12.421 1.00 37.70 N ATOM 2093 CZ ARG B 769 12.425 28.996 12.720 1.00 47.00 C ATOM 2094 NH1 ARG B 769 11.764 29.182 13.878 1.00 47.56 N ATOM 2095 NH2 ARG B 769 12.562 30.015 11.856 1.00 44.67 N ATOM 0 H ARG B 769 12.326 23.252 11.137 1.00 24.43 H new ATOM 0 HA ARG B 769 14.478 23.070 12.499 1.00 26.85 H new ATOM 0 HB2 ARG B 769 12.004 24.118 13.311 1.00 28.13 H new ATOM 0 HB3 ARG B 769 13.250 24.182 14.246 1.00 28.13 H new ATOM 0 HG2 ARG B 769 14.399 25.489 12.634 1.00 32.36 H new ATOM 0 HG3 ARG B 769 13.159 25.419 11.691 1.00 32.36 H new ATOM 0 HD2 ARG B 769 11.922 26.473 13.539 1.00 34.31 H new ATOM 0 HD3 ARG B 769 13.324 26.823 14.125 1.00 34.31 H new ATOM 0 HE ARG B 769 13.319 27.705 11.662 1.00 37.70 H new ATOM 0 HH11 ARG B 769 11.664 28.527 14.426 1.00 47.56 H new ATOM 0 HH12 ARG B 769 11.442 29.956 14.070 1.00 47.56 H new ATOM 0 HH21 ARG B 769 12.973 29.894 11.110 1.00 44.67 H new ATOM 0 HH22 ARG B 769 12.239 30.788 12.049 1.00 44.67 H new ATOM 2096 N GLN B 770 14.410 21.367 14.298 1.00 26.05 N ATOM 2097 CA GLN B 770 14.277 20.295 15.274 1.00 24.03 C ATOM 2098 C GLN B 770 13.518 20.762 16.523 1.00 24.00 C ATOM 2099 O GLN B 770 13.544 21.952 16.908 1.00 19.80 O ATOM 2100 CB GLN B 770 15.673 19.692 15.620 1.00 24.84 C ATOM 2101 CG GLN B 770 16.282 18.982 14.401 1.00 26.85 C ATOM 2102 CD GLN B 770 17.687 18.482 14.709 1.00 31.13 C ATOM 2103 OE1 GLN B 770 18.045 18.289 15.860 1.00 33.32 O ATOM 2104 NE2 GLN B 770 18.463 18.291 13.706 1.00 37.14 N ATOM 0 H GLN B 770 15.197 21.706 14.225 1.00 26.05 H new ATOM 0 HA GLN B 770 13.745 19.587 14.878 1.00 24.03 H new ATOM 0 HB2 GLN B 770 16.269 20.397 15.919 1.00 24.84 H new ATOM 0 HB3 GLN B 770 15.585 19.064 16.354 1.00 24.84 H new ATOM 0 HG2 GLN B 770 15.719 18.236 14.142 1.00 26.85 H new ATOM 0 HG3 GLN B 770 16.310 19.592 13.647 1.00 26.85 H new ATOM 0 HE21 GLN B 770 18.178 18.437 12.908 1.00 37.14 H new ATOM 0 HE22 GLN B 770 19.268 18.017 13.832 1.00 37.14 H new ATOM 2105 N MET B 771 12.845 19.797 17.165 1.00 24.17 N ATOM 2106 CA MET B 771 12.091 20.086 18.397 1.00 23.68 C ATOM 2107 C MET B 771 12.901 20.263 19.670 1.00 23.07 C ATOM 2108 O MET B 771 12.646 19.630 20.711 1.00 21.94 O ATOM 2109 CB MET B 771 10.945 19.118 18.543 1.00 23.37 C ATOM 2110 CG MET B 771 9.962 19.176 17.416 1.00 23.60 C ATOM 2111 SD MET B 771 8.735 20.611 17.610 1.00 23.96 S ATOM 2112 CE MET B 771 7.502 19.736 18.532 1.00 23.47 C ATOM 0 H MET B 771 12.812 18.977 16.908 1.00 24.17 H new ATOM 0 HA MET B 771 11.738 20.981 18.275 1.00 23.68 H new ATOM 0 HB2 MET B 771 11.299 18.217 18.607 1.00 23.37 H new ATOM 0 HB3 MET B 771 10.482 19.301 19.375 1.00 23.37 H new ATOM 0 HG2 MET B 771 10.439 19.272 16.577 1.00 23.60 H new ATOM 0 HG3 MET B 771 9.474 18.339 17.371 1.00 23.60 H new ATOM 0 HE1 MET B 771 6.809 20.354 18.814 1.00 23.47 H new ATOM 0 HE2 MET B 771 7.111 19.045 17.975 1.00 23.47 H new ATOM 0 HE3 MET B 771 7.909 19.329 19.313 1.00 23.47 H new ATOM 2113 N LEU B 772 13.804 21.253 19.603 1.00 22.14 N ATOM 2114 CA LEU B 772 14.498 21.798 20.737 1.00 22.10 C ATOM 2115 C LEU B 772 13.474 22.449 21.710 1.00 21.23 C ATOM 2116 O LEU B 772 12.329 22.701 21.318 1.00 20.88 O ATOM 2117 CB LEU B 772 15.542 22.823 20.248 1.00 25.69 C ATOM 2118 CG LEU B 772 16.688 22.233 19.366 1.00 32.68 C ATOM 2119 CD1 LEU B 772 17.573 23.344 18.843 1.00 31.88 C ATOM 2120 CD2 LEU B 772 17.477 21.205 20.163 1.00 31.29 C ATOM 0 H LEU B 772 14.025 21.627 18.861 1.00 22.14 H new ATOM 0 HA LEU B 772 14.962 21.095 21.217 1.00 22.10 H new ATOM 0 HB2 LEU B 772 15.085 23.512 19.741 1.00 25.69 H new ATOM 0 HB3 LEU B 772 15.938 23.255 21.021 1.00 25.69 H new ATOM 0 HG LEU B 772 16.306 21.782 18.597 1.00 32.68 H new ATOM 0 HD11 LEU B 772 18.280 22.965 18.297 1.00 31.88 H new ATOM 0 HD12 LEU B 772 17.043 23.955 18.307 1.00 31.88 H new ATOM 0 HD13 LEU B 772 17.964 23.825 19.589 1.00 31.88 H new ATOM 0 HD21 LEU B 772 18.187 20.842 19.610 1.00 31.29 H new ATOM 0 HD22 LEU B 772 17.862 21.628 20.946 1.00 31.29 H new ATOM 0 HD23 LEU B 772 16.886 20.488 20.441 1.00 31.29 H new ATOM 2121 N PRO B 773 13.871 22.703 22.974 1.00 20.52 N ATOM 2122 CA PRO B 773 12.892 23.210 23.972 1.00 20.93 C ATOM 2123 C PRO B 773 12.043 24.412 23.508 1.00 23.06 C ATOM 2124 O PRO B 773 10.815 24.405 23.727 1.00 21.06 O ATOM 2125 CB PRO B 773 13.776 23.540 25.155 1.00 22.20 C ATOM 2126 CG PRO B 773 14.791 22.437 25.056 1.00 23.87 C ATOM 2127 CD PRO B 773 15.112 22.249 23.644 1.00 21.84 C ATOM 0 HA PRO B 773 12.202 22.556 24.162 1.00 20.93 H new ATOM 0 HB2 PRO B 773 14.179 24.419 25.081 1.00 22.20 H new ATOM 0 HB3 PRO B 773 13.291 23.520 25.995 1.00 22.20 H new ATOM 0 HG2 PRO B 773 15.589 22.664 25.558 1.00 23.87 H new ATOM 0 HG3 PRO B 773 14.440 21.617 25.437 1.00 23.87 H new ATOM 0 HD2 PRO B 773 15.881 22.775 23.375 1.00 21.84 H new ATOM 0 HD3 PRO B 773 15.316 21.323 23.439 1.00 21.84 H new ATOM 2128 N GLU B 774 12.653 25.396 22.815 1.00 24.08 N ATOM 2129 CA GLU B 774 11.868 26.559 22.387 1.00 26.00 C ATOM 2130 C GLU B 774 10.873 26.210 21.301 1.00 25.19 C ATOM 2131 O GLU B 774 9.743 26.750 21.282 1.00 23.07 O ATOM 2132 CB GLU B 774 12.755 27.784 22.029 1.00 26.63 C ATOM 2133 CG GLU B 774 13.311 28.393 23.327 1.00 28.88 C ATOM 2134 CD GLU B 774 14.115 29.688 23.184 1.00 33.14 C ATOM 2135 OE1 GLU B 774 14.276 30.214 22.077 1.00 30.51 O ATOM 2136 OE2 GLU B 774 14.607 30.158 24.228 1.00 33.54 O ATOM 0 H GLU B 774 13.484 25.406 22.594 1.00 24.08 H new ATOM 0 HA GLU B 774 11.343 26.834 23.155 1.00 26.00 H new ATOM 0 HB2 GLU B 774 13.482 27.513 21.447 1.00 26.63 H new ATOM 0 HB3 GLU B 774 12.235 28.444 21.544 1.00 26.63 H new ATOM 0 HG2 GLU B 774 12.567 28.562 23.926 1.00 28.88 H new ATOM 0 HG3 GLU B 774 13.876 27.731 23.756 1.00 28.88 H new ATOM 2137 N GLU B 775 11.257 25.374 20.353 1.00 23.83 N ATOM 2138 CA GLU B 775 10.368 25.016 19.297 1.00 23.92 C ATOM 2139 C GLU B 775 9.218 24.086 19.822 1.00 22.20 C ATOM 2140 O GLU B 775 8.106 24.167 19.339 1.00 21.31 O ATOM 2141 CB GLU B 775 11.063 24.306 18.136 1.00 28.80 C ATOM 2142 CG GLU B 775 12.296 25.006 17.553 1.00 39.15 C ATOM 2143 CD GLU B 775 12.110 26.468 17.168 1.00 47.35 C ATOM 2144 OE1 GLU B 775 11.142 26.840 16.459 1.00 49.90 O ATOM 2145 OE2 GLU B 775 12.991 27.250 17.555 1.00 49.49 O ATOM 0 H GLU B 775 12.034 25.007 20.313 1.00 23.83 H new ATOM 0 HA GLU B 775 10.008 25.855 18.969 1.00 23.92 H new ATOM 0 HB2 GLU B 775 11.327 23.422 18.434 1.00 28.80 H new ATOM 0 HB3 GLU B 775 10.417 24.184 17.423 1.00 28.80 H new ATOM 0 HG2 GLU B 775 13.016 24.949 18.201 1.00 39.15 H new ATOM 0 HG3 GLU B 775 12.583 24.516 16.766 1.00 39.15 H new ATOM 2146 N GLN B 776 9.511 23.212 20.786 1.00 19.39 N ATOM 2147 CA GLN B 776 8.530 22.361 21.437 1.00 20.17 C ATOM 2148 C GLN B 776 7.488 23.297 22.137 1.00 20.01 C ATOM 2149 O GLN B 776 6.280 23.080 22.019 1.00 19.03 O ATOM 2150 CB GLN B 776 9.255 21.481 22.484 1.00 20.10 C ATOM 2151 CG GLN B 776 8.408 20.649 23.446 1.00 20.44 C ATOM 2152 CD GLN B 776 7.784 19.420 22.843 1.00 21.37 C ATOM 2153 OE1 GLN B 776 8.320 18.830 21.923 1.00 21.84 O ATOM 2154 NE2 GLN B 776 6.654 19.009 23.393 1.00 20.65 N ATOM 0 H GLN B 776 10.310 23.099 21.084 1.00 19.39 H new ATOM 0 HA GLN B 776 8.080 21.782 20.802 1.00 20.17 H new ATOM 0 HB2 GLN B 776 9.840 20.874 22.005 1.00 20.10 H new ATOM 0 HB3 GLN B 776 9.822 22.061 23.016 1.00 20.10 H new ATOM 0 HG2 GLN B 776 8.963 20.379 24.194 1.00 20.44 H new ATOM 0 HG3 GLN B 776 7.703 21.211 23.804 1.00 20.44 H new ATOM 0 HE21 GLN B 776 6.305 19.453 24.042 1.00 20.65 H new ATOM 0 HE22 GLN B 776 6.268 18.298 23.102 1.00 20.65 H new ATOM 2155 N LEU B 777 7.991 24.341 22.813 1.00 20.02 N ATOM 2156 CA LEU B 777 7.097 25.293 23.479 1.00 22.29 C ATOM 2157 C LEU B 777 6.214 26.016 22.436 1.00 21.70 C ATOM 2158 O LEU B 777 4.979 26.223 22.667 1.00 20.93 O ATOM 2159 CB LEU B 777 7.860 26.283 24.320 1.00 23.13 C ATOM 2160 CG LEU B 777 6.989 27.111 25.271 1.00 23.24 C ATOM 2161 CD1 LEU B 777 6.459 26.287 26.458 1.00 23.34 C ATOM 2162 CD2 LEU B 777 7.768 28.322 25.886 1.00 25.84 C ATOM 0 H LEU B 777 8.830 24.511 22.895 1.00 20.02 H new ATOM 0 HA LEU B 777 6.523 24.792 24.080 1.00 22.29 H new ATOM 0 HB2 LEU B 777 8.524 25.804 24.841 1.00 23.13 H new ATOM 0 HB3 LEU B 777 8.342 26.886 23.733 1.00 23.13 H new ATOM 0 HG LEU B 777 6.254 27.419 24.718 1.00 23.24 H new ATOM 0 HD11 LEU B 777 5.916 26.853 27.028 1.00 23.34 H new ATOM 0 HD12 LEU B 777 5.921 25.551 26.127 1.00 23.34 H new ATOM 0 HD13 LEU B 777 7.206 25.937 26.968 1.00 23.34 H new ATOM 0 HD21 LEU B 777 7.181 28.817 26.479 1.00 25.84 H new ATOM 0 HD22 LEU B 777 8.532 27.995 26.386 1.00 25.84 H new ATOM 0 HD23 LEU B 777 8.074 28.905 25.174 1.00 25.84 H new ATOM 2163 N LYS B 778 6.833 26.420 21.323 1.00 22.03 N ATOM 2164 CA LYS B 778 6.081 27.134 20.305 1.00 20.26 C ATOM 2165 C LYS B 778 4.958 26.286 19.704 1.00 18.49 C ATOM 2166 O LYS B 778 3.842 26.798 19.437 1.00 19.29 O ATOM 2167 CB LYS B 778 7.011 27.734 19.267 1.00 22.36 C ATOM 2168 CG LYS B 778 7.773 28.934 19.757 1.00 23.78 C ATOM 2169 CD LYS B 778 8.793 29.381 18.687 1.00 30.25 C ATOM 2170 CE LYS B 778 9.415 30.683 19.112 1.00 37.88 C ATOM 2171 NZ LYS B 778 10.603 31.040 18.265 1.00 46.80 N ATOM 0 H LYS B 778 7.665 26.292 21.146 1.00 22.03 H new ATOM 0 HA LYS B 778 5.628 27.876 20.735 1.00 20.26 H new ATOM 0 HB2 LYS B 778 7.642 27.056 18.980 1.00 22.36 H new ATOM 0 HB3 LYS B 778 6.492 27.987 18.488 1.00 22.36 H new ATOM 0 HG2 LYS B 778 7.159 29.659 19.953 1.00 23.78 H new ATOM 0 HG3 LYS B 778 8.233 28.720 20.584 1.00 23.78 H new ATOM 0 HD2 LYS B 778 9.478 28.704 18.575 1.00 30.25 H new ATOM 0 HD3 LYS B 778 8.353 29.485 17.829 1.00 30.25 H new ATOM 0 HE2 LYS B 778 8.754 31.390 19.055 1.00 37.88 H new ATOM 0 HE3 LYS B 778 9.687 30.623 20.041 1.00 37.88 H new ATOM 0 HZ1 LYS B 778 10.945 31.813 18.543 1.00 46.80 H new ATOM 0 HZ2 LYS B 778 11.219 30.402 18.334 1.00 46.80 H new ATOM 0 HZ3 LYS B 778 10.350 31.117 17.415 1.00 46.80 H new ATOM 2172 N CYS B 779 5.169 24.990 19.489 1.00 16.77 N ATOM 2173 CA CYS B 779 4.144 24.121 19.055 1.00 18.01 C ATOM 2174 C CYS B 779 3.045 23.879 20.114 1.00 15.81 C ATOM 2175 O CYS B 779 1.887 23.813 19.723 1.00 17.53 O ATOM 2176 CB CYS B 779 4.686 22.730 18.587 1.00 19.98 C ATOM 2177 SG CYS B 779 5.727 22.840 17.107 1.00 22.14 S ATOM 0 H CYS B 779 5.931 24.607 19.599 1.00 16.77 H new ATOM 0 HA CYS B 779 3.752 24.589 18.301 1.00 18.01 H new ATOM 0 HB2 CYS B 779 5.197 22.328 19.307 1.00 19.98 H new ATOM 0 HB3 CYS B 779 3.937 22.140 18.407 1.00 19.98 H new ATOM 0 HG CYS B 779 6.692 22.140 17.243 1.00 22.14 H new ATOM 2178 N GLU B 780 3.436 23.724 21.402 1.00 15.82 N ATOM 2179 CA GLU B 780 2.489 23.675 22.500 1.00 16.59 C ATOM 2180 C GLU B 780 1.525 24.931 22.466 1.00 17.44 C ATOM 2181 O GLU B 780 0.306 24.820 22.646 1.00 17.51 O ATOM 2182 CB GLU B 780 3.186 23.566 23.837 1.00 17.60 C ATOM 2183 CG GLU B 780 3.795 22.179 23.994 1.00 18.49 C ATOM 2184 CD GLU B 780 4.864 22.028 25.027 1.00 20.45 C ATOM 2185 OE1 GLU B 780 5.347 23.088 25.540 1.00 22.02 O ATOM 2186 OE2 GLU B 780 5.258 20.798 25.328 1.00 23.73 O ATOM 0 H GLU B 780 4.258 23.646 21.644 1.00 15.82 H new ATOM 0 HA GLU B 780 1.953 22.874 22.387 1.00 16.59 H new ATOM 0 HB2 GLU B 780 3.879 24.241 23.905 1.00 17.60 H new ATOM 0 HB3 GLU B 780 2.555 23.734 24.554 1.00 17.60 H new ATOM 0 HG2 GLU B 780 3.081 21.557 24.204 1.00 18.49 H new ATOM 0 HG3 GLU B 780 4.162 21.911 23.137 1.00 18.49 H new ATOM 2187 N PHE B 781 2.124 26.068 22.236 1.00 18.33 N ATOM 2188 CA PHE B 781 1.410 27.342 22.254 1.00 18.23 C ATOM 2189 C PHE B 781 0.469 27.383 21.086 1.00 17.77 C ATOM 2190 O PHE B 781 -0.741 27.721 21.240 1.00 16.86 O ATOM 2191 CB PHE B 781 2.370 28.499 22.268 1.00 21.61 C ATOM 2192 CG PHE B 781 1.700 29.834 22.372 1.00 21.33 C ATOM 2193 CD1 PHE B 781 0.782 30.069 23.390 1.00 22.37 C ATOM 2194 CD2 PHE B 781 2.027 30.878 21.500 1.00 22.66 C ATOM 2195 CE1 PHE B 781 0.122 31.345 23.547 1.00 23.58 C ATOM 2196 CE2 PHE B 781 1.395 32.125 21.645 1.00 25.66 C ATOM 2197 CZ PHE B 781 0.452 32.359 22.673 1.00 25.21 C ATOM 0 H PHE B 781 2.963 26.138 22.062 1.00 18.33 H new ATOM 0 HA PHE B 781 0.889 27.421 23.068 1.00 18.23 H new ATOM 0 HB2 PHE B 781 2.981 28.393 23.014 1.00 21.61 H new ATOM 0 HB3 PHE B 781 2.904 28.476 21.459 1.00 21.61 H new ATOM 0 HD1 PHE B 781 0.587 29.384 23.988 1.00 22.37 H new ATOM 0 HD2 PHE B 781 2.658 30.748 20.829 1.00 22.66 H new ATOM 0 HE1 PHE B 781 -0.507 31.478 24.218 1.00 23.58 H new ATOM 0 HE2 PHE B 781 1.601 32.811 21.052 1.00 25.66 H new ATOM 0 HZ PHE B 781 0.055 33.196 22.759 1.00 25.21 H new ATOM 2198 N LEU B 782 0.942 26.944 19.923 1.00 17.88 N ATOM 2199 CA LEU B 782 0.087 26.844 18.746 1.00 19.10 C ATOM 2200 C LEU B 782 -1.082 25.938 18.951 1.00 20.56 C ATOM 2201 O LEU B 782 -2.213 26.239 18.559 1.00 17.75 O ATOM 2202 CB LEU B 782 0.906 26.467 17.485 1.00 21.04 C ATOM 2203 CG LEU B 782 0.253 26.228 16.176 1.00 21.91 C ATOM 2204 CD1 LEU B 782 -0.668 27.425 15.775 1.00 24.05 C ATOM 2205 CD2 LEU B 782 1.410 26.070 15.183 1.00 24.20 C ATOM 0 H LEU B 782 1.756 26.699 19.795 1.00 17.88 H new ATOM 0 HA LEU B 782 -0.288 27.726 18.598 1.00 19.10 H new ATOM 0 HB2 LEU B 782 1.556 27.174 17.350 1.00 21.04 H new ATOM 0 HB3 LEU B 782 1.403 25.663 17.702 1.00 21.04 H new ATOM 0 HG LEU B 782 -0.321 25.447 16.196 1.00 21.91 H new ATOM 0 HD11 LEU B 782 -1.081 27.242 14.917 1.00 24.05 H new ATOM 0 HD12 LEU B 782 -1.358 27.542 16.447 1.00 24.05 H new ATOM 0 HD13 LEU B 782 -0.138 28.235 15.712 1.00 24.05 H new ATOM 0 HD21 LEU B 782 1.055 25.909 14.295 1.00 24.20 H new ATOM 0 HD22 LEU B 782 1.943 26.880 15.176 1.00 24.20 H new ATOM 0 HD23 LEU B 782 1.965 25.321 15.449 1.00 24.20 H new ATOM 2206 N LEU B 783 -0.835 24.760 19.499 1.00 18.98 N ATOM 2207 CA LEU B 783 -1.922 23.844 19.762 1.00 16.87 C ATOM 2208 C LEU B 783 -2.956 24.483 20.745 1.00 16.95 C ATOM 2209 O LEU B 783 -4.194 24.355 20.568 1.00 16.33 O ATOM 2210 CB LEU B 783 -1.362 22.511 20.352 1.00 15.82 C ATOM 2211 CG LEU B 783 -2.394 21.485 20.717 1.00 16.71 C ATOM 2212 CD1 LEU B 783 -3.192 21.096 19.480 1.00 17.10 C ATOM 2213 CD2 LEU B 783 -1.672 20.251 21.321 1.00 18.63 C ATOM 0 H LEU B 783 -0.055 24.476 19.723 1.00 18.98 H new ATOM 0 HA LEU B 783 -2.377 23.653 18.927 1.00 16.87 H new ATOM 0 HB2 LEU B 783 -0.753 22.120 19.706 1.00 15.82 H new ATOM 0 HB3 LEU B 783 -0.841 22.719 21.143 1.00 15.82 H new ATOM 0 HG LEU B 783 -3.012 21.845 21.372 1.00 16.71 H new ATOM 0 HD11 LEU B 783 -3.858 20.433 19.720 1.00 17.10 H new ATOM 0 HD12 LEU B 783 -3.633 21.881 19.119 1.00 17.10 H new ATOM 0 HD13 LEU B 783 -2.594 20.726 18.812 1.00 17.10 H new ATOM 0 HD21 LEU B 783 -2.328 19.578 21.562 1.00 18.63 H new ATOM 0 HD22 LEU B 783 -1.057 19.883 20.667 1.00 18.63 H new ATOM 0 HD23 LEU B 783 -1.179 20.519 22.112 1.00 18.63 H new ATOM 2214 N LEU B 784 -2.435 25.131 21.795 1.00 18.48 N ATOM 2215 CA LEU B 784 -3.299 25.814 22.775 1.00 18.38 C ATOM 2216 C LEU B 784 -4.183 26.893 22.096 1.00 18.16 C ATOM 2217 O LEU B 784 -5.337 26.985 22.402 1.00 17.82 O ATOM 2218 CB LEU B 784 -2.535 26.418 23.893 1.00 18.15 C ATOM 2219 CG LEU B 784 -3.400 27.133 24.969 1.00 20.23 C ATOM 2220 CD1 LEU B 784 -2.809 26.917 26.355 1.00 19.64 C ATOM 2221 CD2 LEU B 784 -3.473 28.627 24.730 1.00 22.02 C ATOM 0 H LEU B 784 -1.593 25.188 21.959 1.00 18.48 H new ATOM 0 HA LEU B 784 -3.871 25.126 23.150 1.00 18.38 H new ATOM 0 HB2 LEU B 784 -2.016 25.722 24.325 1.00 18.15 H new ATOM 0 HB3 LEU B 784 -1.904 27.058 23.527 1.00 18.15 H new ATOM 0 HG LEU B 784 -4.290 26.751 24.909 1.00 20.23 H new ATOM 0 HD11 LEU B 784 -3.358 27.368 27.015 1.00 19.64 H new ATOM 0 HD12 LEU B 784 -2.783 25.967 26.551 1.00 19.64 H new ATOM 0 HD13 LEU B 784 -1.909 27.278 26.383 1.00 19.64 H new ATOM 0 HD21 LEU B 784 -4.019 29.039 25.418 1.00 22.02 H new ATOM 0 HD22 LEU B 784 -2.579 29.003 24.758 1.00 22.02 H new ATOM 0 HD23 LEU B 784 -3.867 28.797 23.860 1.00 22.02 H new ATOM 2222 N LYS B 785 -3.656 27.596 21.125 1.00 21.24 N ATOM 2223 CA LYS B 785 -4.442 28.620 20.350 1.00 20.87 C ATOM 2224 C LYS B 785 -5.582 28.043 19.604 1.00 19.96 C ATOM 2225 O LYS B 785 -6.637 28.646 19.508 1.00 19.42 O ATOM 2226 CB LYS B 785 -3.558 29.469 19.466 1.00 21.69 C ATOM 2227 CG LYS B 785 -2.600 30.390 20.219 1.00 23.94 C ATOM 2228 CD LYS B 785 -3.160 31.439 21.154 1.00 29.53 C ATOM 2229 CE LYS B 785 -4.165 32.343 20.501 1.00 35.33 C ATOM 2230 NZ LYS B 785 -3.533 33.448 19.764 1.00 41.33 N ATOM 0 H LYS B 785 -2.838 27.518 20.872 1.00 21.24 H new ATOM 0 HA LYS B 785 -4.832 29.209 21.015 1.00 20.87 H new ATOM 0 HB2 LYS B 785 -3.040 28.885 18.890 1.00 21.69 H new ATOM 0 HB3 LYS B 785 -4.121 30.009 18.890 1.00 21.69 H new ATOM 0 HG2 LYS B 785 -2.002 29.828 20.736 1.00 23.94 H new ATOM 0 HG3 LYS B 785 -2.057 30.849 19.558 1.00 23.94 H new ATOM 0 HD2 LYS B 785 -3.575 30.999 21.912 1.00 29.53 H new ATOM 0 HD3 LYS B 785 -2.430 31.975 21.502 1.00 29.53 H new ATOM 0 HE2 LYS B 785 -4.715 31.825 19.892 1.00 35.33 H new ATOM 0 HE3 LYS B 785 -4.757 32.706 21.178 1.00 35.33 H new ATOM 0 HZ1 LYS B 785 -4.120 34.108 19.657 1.00 41.33 H new ATOM 0 HZ2 LYS B 785 -2.831 33.747 20.222 1.00 41.33 H new ATOM 0 HZ3 LYS B 785 -3.265 33.158 18.967 1.00 41.33 H new ATOM 2231 N VAL B 786 -5.426 26.832 19.089 1.00 18.86 N ATOM 2232 CA VAL B 786 -6.518 26.130 18.486 1.00 17.89 C ATOM 2233 C VAL B 786 -7.622 25.719 19.484 1.00 20.61 C ATOM 2234 O VAL B 786 -8.829 25.893 19.218 1.00 19.01 O ATOM 2235 CB VAL B 786 -6.035 24.935 17.671 1.00 19.42 C ATOM 2236 CG1 VAL B 786 -7.176 24.110 17.137 1.00 19.88 C ATOM 2237 CG2 VAL B 786 -5.084 25.444 16.538 1.00 19.82 C ATOM 0 H VAL B 786 -4.681 26.403 19.084 1.00 18.86 H new ATOM 0 HA VAL B 786 -6.932 26.765 17.881 1.00 17.89 H new ATOM 0 HB VAL B 786 -5.538 24.337 18.251 1.00 19.42 H new ATOM 0 HG11 VAL B 786 -6.825 23.363 16.627 1.00 19.88 H new ATOM 0 HG12 VAL B 786 -7.707 23.775 17.876 1.00 19.88 H new ATOM 0 HG13 VAL B 786 -7.732 24.660 16.563 1.00 19.88 H new ATOM 0 HG21 VAL B 786 -4.772 24.690 16.014 1.00 19.82 H new ATOM 0 HG22 VAL B 786 -5.566 26.059 15.963 1.00 19.82 H new ATOM 0 HG23 VAL B 786 -4.324 25.899 16.933 1.00 19.82 H new ATOM 2238 N TYR B 787 -7.222 25.117 20.610 1.00 18.29 N ATOM 2239 CA TYR B 787 -8.182 24.767 21.666 1.00 18.28 C ATOM 2240 C TYR B 787 -8.913 26.034 22.205 1.00 17.86 C ATOM 2241 O TYR B 787 -10.050 25.895 22.685 1.00 21.68 O ATOM 2242 CB TYR B 787 -7.447 24.063 22.826 1.00 17.66 C ATOM 2243 CG TYR B 787 -7.186 22.597 22.704 1.00 19.13 C ATOM 2244 CD1 TYR B 787 -8.159 21.679 22.979 1.00 20.29 C ATOM 2245 CD2 TYR B 787 -5.935 22.099 22.345 1.00 20.00 C ATOM 2246 CE1 TYR B 787 -7.929 20.301 22.893 1.00 19.32 C ATOM 2247 CE2 TYR B 787 -5.711 20.757 22.277 1.00 18.57 C ATOM 2248 CZ TYR B 787 -6.699 19.869 22.592 1.00 18.61 C ATOM 2249 OH TYR B 787 -6.410 18.521 22.535 1.00 18.42 O ATOM 0 H TYR B 787 -6.407 24.904 20.781 1.00 18.29 H new ATOM 0 HA TYR B 787 -8.845 24.170 21.286 1.00 18.28 H new ATOM 0 HB2 TYR B 787 -6.594 24.507 22.950 1.00 17.66 H new ATOM 0 HB3 TYR B 787 -7.962 24.207 23.635 1.00 17.66 H new ATOM 0 HD1 TYR B 787 -9.002 21.979 23.232 1.00 20.29 H new ATOM 0 HD2 TYR B 787 -5.244 22.690 22.149 1.00 20.00 H new ATOM 0 HE1 TYR B 787 -8.619 19.696 23.043 1.00 19.32 H new ATOM 0 HE2 TYR B 787 -4.876 20.442 22.013 1.00 18.57 H new ATOM 0 HH TYR B 787 -6.925 18.102 23.049 1.00 18.42 H new ATOM 2250 N CYS B 788 -8.295 27.199 22.156 1.00 17.04 N ATOM 2251 CA CYS B 788 -8.948 28.468 22.561 1.00 19.44 C ATOM 2252 C CYS B 788 -10.214 28.785 21.753 1.00 23.43 C ATOM 2253 O CYS B 788 -11.105 29.471 22.225 1.00 25.50 O ATOM 2254 CB CYS B 788 -7.989 29.638 22.509 1.00 20.14 C ATOM 2255 SG CYS B 788 -6.810 29.668 23.862 1.00 23.60 S ATOM 0 H CYS B 788 -7.483 27.294 21.889 1.00 17.04 H new ATOM 0 HA CYS B 788 -9.223 28.331 23.481 1.00 19.44 H new ATOM 0 HB2 CYS B 788 -7.504 29.611 21.669 1.00 20.14 H new ATOM 0 HB3 CYS B 788 -8.498 30.464 22.516 1.00 20.14 H new ATOM 0 HG CYS B 788 -6.115 28.691 23.810 1.00 23.60 H new ATOM 2256 N ASP B 789 -10.324 28.262 20.547 1.00 20.14 N ATOM 2257 CA ASP B 789 -11.526 28.474 19.746 1.00 22.48 C ATOM 2258 C ASP B 789 -12.592 27.534 20.139 1.00 22.89 C ATOM 2259 O ASP B 789 -12.346 26.376 20.240 1.00 20.93 O ATOM 2260 CB ASP B 789 -11.239 28.305 18.268 1.00 24.21 C ATOM 2261 CG ASP B 789 -12.370 28.942 17.414 1.00 28.68 C ATOM 2262 OD1 ASP B 789 -13.441 28.318 17.298 1.00 28.61 O ATOM 2263 OD2 ASP B 789 -12.178 30.123 17.055 1.00 29.79 O ATOM 0 H ASP B 789 -9.719 27.781 20.169 1.00 20.14 H new ATOM 0 HA ASP B 789 -11.821 29.384 19.909 1.00 22.48 H new ATOM 0 HB2 ASP B 789 -10.390 28.719 18.049 1.00 24.21 H new ATOM 0 HB3 ASP B 789 -11.158 27.362 18.055 1.00 24.21 H new ATOM 2264 N SER B 790 -13.848 28.003 20.320 1.00 21.53 N ATOM 2265 CA SER B 790 -14.873 27.102 20.825 1.00 23.74 C ATOM 2266 C SER B 790 -15.189 25.989 19.810 1.00 22.09 C ATOM 2267 O SER B 790 -15.583 24.881 20.212 1.00 22.01 O ATOM 2268 CB SER B 790 -16.153 27.877 21.209 1.00 29.91 C ATOM 2269 OG SER B 790 -16.671 28.380 19.988 1.00 34.76 O ATOM 0 H SER B 790 -14.106 28.808 20.160 1.00 21.53 H new ATOM 0 HA SER B 790 -14.525 26.681 21.627 1.00 23.74 H new ATOM 0 HB2 SER B 790 -16.794 27.297 21.648 1.00 29.91 H new ATOM 0 HB3 SER B 790 -15.953 28.597 21.827 1.00 29.91 H new ATOM 0 HG SER B 790 -16.238 29.063 19.760 1.00 34.76 H new ATOM 2270 N LYS B 791 -14.953 26.222 18.510 1.00 20.60 N ATOM 2271 CA LYS B 791 -15.181 25.178 17.484 1.00 21.66 C ATOM 2272 C LYS B 791 -14.169 24.023 17.524 1.00 22.66 C ATOM 2273 O LYS B 791 -14.372 22.964 16.907 1.00 21.21 O ATOM 2274 CB LYS B 791 -15.113 25.825 16.108 1.00 22.56 C ATOM 2275 CG LYS B 791 -16.327 26.758 15.824 1.00 25.07 C ATOM 2276 CD LYS B 791 -15.996 27.751 14.688 1.00 29.90 C ATOM 2277 CE LYS B 791 -17.151 28.698 14.425 1.00 33.85 C ATOM 2278 NZ LYS B 791 -18.308 28.031 13.743 1.00 35.57 N ATOM 0 H LYS B 791 -14.663 26.970 18.200 1.00 20.60 H new ATOM 0 HA LYS B 791 -16.052 24.794 17.672 1.00 21.66 H new ATOM 0 HB2 LYS B 791 -14.292 26.337 16.035 1.00 22.56 H new ATOM 0 HB3 LYS B 791 -15.076 25.132 15.430 1.00 22.56 H new ATOM 0 HG2 LYS B 791 -17.100 26.226 15.580 1.00 25.07 H new ATOM 0 HG3 LYS B 791 -16.561 27.246 16.629 1.00 25.07 H new ATOM 0 HD2 LYS B 791 -15.205 28.261 14.922 1.00 29.90 H new ATOM 0 HD3 LYS B 791 -15.787 27.260 13.878 1.00 29.90 H new ATOM 0 HE2 LYS B 791 -17.451 29.076 15.266 1.00 33.85 H new ATOM 0 HE3 LYS B 791 -16.840 29.436 13.877 1.00 33.85 H new ATOM 0 HZ1 LYS B 791 -19.013 28.575 13.753 1.00 35.57 H new ATOM 0 HZ2 LYS B 791 -18.089 27.845 12.900 1.00 35.57 H new ATOM 0 HZ3 LYS B 791 -18.510 27.276 14.170 1.00 35.57 H new ATOM 2279 N SER B 792 -13.112 24.193 18.320 1.00 21.22 N ATOM 2280 CA SER B 792 -12.164 23.072 18.533 1.00 20.17 C ATOM 2281 C SER B 792 -12.796 21.832 19.129 1.00 22.20 C ATOM 2282 O SER B 792 -12.230 20.712 18.965 1.00 21.31 O ATOM 2283 CB SER B 792 -10.981 23.548 19.351 1.00 21.05 C ATOM 2284 OG SER B 792 -11.366 23.814 20.683 1.00 20.91 O ATOM 0 H SER B 792 -12.922 24.920 18.737 1.00 21.22 H new ATOM 0 HA SER B 792 -11.858 22.793 17.656 1.00 20.17 H new ATOM 0 HB2 SER B 792 -10.283 22.874 19.340 1.00 21.05 H new ATOM 0 HB3 SER B 792 -10.608 24.349 18.952 1.00 21.05 H new ATOM 0 HG SER B 792 -11.709 24.579 20.728 1.00 20.91 H new ATOM 2285 N CYS B 793 -14.017 21.947 19.705 1.00 22.48 N ATOM 2286 CA CYS B 793 -14.658 20.809 20.309 1.00 23.56 C ATOM 2287 C CYS B 793 -14.942 19.713 19.333 1.00 22.78 C ATOM 2288 O CYS B 793 -14.853 18.550 19.722 1.00 21.61 O ATOM 2289 CB CYS B 793 -15.970 21.175 21.076 1.00 29.26 C ATOM 2290 SG CYS B 793 -17.248 21.875 20.003 1.00 30.37 S ATOM 0 H CYS B 793 -14.468 22.678 19.745 1.00 22.48 H new ATOM 0 HA CYS B 793 -14.010 20.485 20.955 1.00 23.56 H new ATOM 0 HB2 CYS B 793 -16.318 20.379 21.508 1.00 29.26 H new ATOM 0 HB3 CYS B 793 -15.761 21.811 21.778 1.00 29.26 H new ATOM 0 HG CYS B 793 -17.006 23.031 19.793 1.00 30.37 H new ATOM 2291 N PHE B 794 -15.260 20.079 18.065 1.00 18.48 N ATOM 2292 CA PHE B 794 -15.526 19.123 17.065 1.00 18.61 C ATOM 2293 C PHE B 794 -14.311 18.237 16.716 1.00 19.57 C ATOM 2294 O PHE B 794 -14.507 17.144 16.176 1.00 21.26 O ATOM 2295 CB PHE B 794 -16.019 19.798 15.805 1.00 21.23 C ATOM 2296 CG PHE B 794 -17.338 20.567 15.981 1.00 21.17 C ATOM 2297 CD1 PHE B 794 -18.480 19.871 16.288 1.00 21.41 C ATOM 2298 CD2 PHE B 794 -17.376 21.959 15.887 1.00 21.42 C ATOM 2299 CE1 PHE B 794 -19.700 20.526 16.464 1.00 22.72 C ATOM 2300 CE2 PHE B 794 -18.601 22.645 16.061 1.00 23.35 C ATOM 2301 CZ PHE B 794 -19.748 21.894 16.356 1.00 21.98 C ATOM 0 H PHE B 794 -15.317 20.895 17.801 1.00 18.48 H new ATOM 0 HA PHE B 794 -16.210 18.543 17.433 1.00 18.61 H new ATOM 0 HB2 PHE B 794 -15.337 20.412 15.490 1.00 21.23 H new ATOM 0 HB3 PHE B 794 -16.137 19.127 15.115 1.00 21.23 H new ATOM 0 HD1 PHE B 794 -18.440 18.946 16.380 1.00 21.41 H new ATOM 0 HD2 PHE B 794 -16.597 22.435 15.710 1.00 21.42 H new ATOM 0 HE1 PHE B 794 -20.471 20.042 16.652 1.00 22.72 H new ATOM 0 HE2 PHE B 794 -18.645 23.571 15.982 1.00 23.35 H new ATOM 0 HZ PHE B 794 -20.559 22.332 16.481 1.00 21.98 H new ATOM 2302 N PHE B 795 -13.100 18.755 16.979 1.00 19.71 N ATOM 2303 CA PHE B 795 -11.857 18.128 16.520 1.00 18.97 C ATOM 2304 C PHE B 795 -11.052 17.520 17.705 1.00 20.78 C ATOM 2305 O PHE B 795 -9.981 16.992 17.451 1.00 22.02 O ATOM 2306 CB PHE B 795 -11.032 19.190 15.821 1.00 21.10 C ATOM 2307 CG PHE B 795 -11.761 19.773 14.624 1.00 21.73 C ATOM 2308 CD1 PHE B 795 -11.932 18.967 13.510 1.00 20.27 C ATOM 2309 CD2 PHE B 795 -12.380 21.013 14.681 1.00 23.23 C ATOM 2310 CE1 PHE B 795 -12.651 19.407 12.404 1.00 21.19 C ATOM 2311 CE2 PHE B 795 -13.147 21.440 13.584 1.00 22.22 C ATOM 2312 CZ PHE B 795 -13.272 20.634 12.453 1.00 20.71 C ATOM 0 H PHE B 795 -12.981 19.479 17.428 1.00 19.71 H new ATOM 0 HA PHE B 795 -12.068 17.400 15.915 1.00 18.97 H new ATOM 0 HB2 PHE B 795 -10.820 19.899 16.448 1.00 21.10 H new ATOM 0 HB3 PHE B 795 -10.189 18.806 15.531 1.00 21.10 H new ATOM 0 HD1 PHE B 795 -11.559 18.115 13.502 1.00 20.27 H new ATOM 0 HD2 PHE B 795 -12.289 21.553 15.433 1.00 23.23 H new ATOM 0 HE1 PHE B 795 -12.711 18.879 11.641 1.00 21.19 H new ATOM 0 HE2 PHE B 795 -13.574 22.266 13.612 1.00 22.22 H new ATOM 0 HZ PHE B 795 -13.777 20.927 11.729 1.00 20.71 H new ATOM 2313 N ALA B 796 -11.547 17.639 18.924 1.00 21.89 N ATOM 2314 CA ALA B 796 -10.744 17.301 20.141 1.00 21.35 C ATOM 2315 C ALA B 796 -10.600 15.813 20.354 1.00 21.43 C ATOM 2316 O ALA B 796 -9.516 15.359 20.678 1.00 20.50 O ATOM 2317 CB ALA B 796 -11.333 17.952 21.393 1.00 23.19 C ATOM 0 H ALA B 796 -12.345 17.912 19.092 1.00 21.89 H new ATOM 0 HA ALA B 796 -9.857 17.660 19.983 1.00 21.35 H new ATOM 0 HB1 ALA B 796 -10.794 17.717 22.164 1.00 23.19 H new ATOM 0 HB2 ALA B 796 -11.338 18.916 21.285 1.00 23.19 H new ATOM 0 HB3 ALA B 796 -12.241 17.637 21.525 1.00 23.19 H new ATOM 2318 N SER B 797 -11.676 15.045 20.224 1.00 22.30 N ATOM 2319 CA SER B 797 -11.730 13.618 20.536 1.00 25.63 C ATOM 2320 C SER B 797 -11.725 12.755 19.307 1.00 25.95 C ATOM 2321 O SER B 797 -11.884 13.274 18.219 1.00 24.12 O ATOM 2322 CB SER B 797 -13.063 13.317 21.280 1.00 30.63 C ATOM 2323 OG SER B 797 -13.026 13.918 22.527 1.00 39.84 O ATOM 0 H SER B 797 -12.427 15.353 19.940 1.00 22.30 H new ATOM 0 HA SER B 797 -10.944 13.418 21.069 1.00 25.63 H new ATOM 0 HB2 SER B 797 -13.816 13.652 20.768 1.00 30.63 H new ATOM 0 HB3 SER B 797 -13.187 12.359 21.373 1.00 30.63 H new ATOM 0 HG SER B 797 -13.743 13.761 22.935 1.00 39.84 H new ATOM 2324 N GLU B 798 -11.568 11.437 19.499 1.00 26.08 N ATOM 2325 CA GLU B 798 -11.526 10.471 18.392 1.00 28.44 C ATOM 2326 C GLU B 798 -12.863 10.509 17.628 1.00 36.66 C ATOM 2327 O GLU B 798 -13.934 10.316 18.214 1.00 36.77 O ATOM 2328 CB GLU B 798 -11.315 9.067 18.888 1.00 33.83 C ATOM 2329 CG GLU B 798 -10.973 8.075 17.803 1.00 38.39 C ATOM 2330 CD GLU B 798 -10.625 6.699 18.341 1.00 44.68 C ATOM 2331 OE1 GLU B 798 -10.224 5.870 17.527 1.00 52.55 O ATOM 2332 OE2 GLU B 798 -10.743 6.434 19.555 1.00 48.12 O ATOM 0 H GLU B 798 -11.483 11.079 20.276 1.00 26.08 H new ATOM 0 HA GLU B 798 -10.785 10.718 17.817 1.00 28.44 H new ATOM 0 HB2 GLU B 798 -10.602 9.070 19.546 1.00 33.83 H new ATOM 0 HB3 GLU B 798 -12.119 8.770 19.342 1.00 33.83 H new ATOM 0 HG2 GLU B 798 -11.725 7.998 17.195 1.00 38.39 H new ATOM 0 HG3 GLU B 798 -10.224 8.413 17.287 1.00 38.39 H new ATOM 2333 N PRO B 799 -12.813 10.831 16.342 1.00 34.95 N ATOM 2334 CA PRO B 799 -14.065 10.940 15.646 1.00 41.85 C ATOM 2335 C PRO B 799 -14.638 9.574 15.357 1.00 41.59 C ATOM 2336 O PRO B 799 -13.908 8.576 15.242 1.00 38.84 O ATOM 2337 CB PRO B 799 -13.694 11.673 14.340 1.00 45.98 C ATOM 2338 CG PRO B 799 -12.273 11.379 14.125 1.00 39.45 C ATOM 2339 CD PRO B 799 -11.655 11.104 15.470 1.00 39.50 C ATOM 0 HA PRO B 799 -14.743 11.408 16.158 1.00 41.85 H new ATOM 0 HB2 PRO B 799 -14.233 11.360 13.597 1.00 45.98 H new ATOM 0 HB3 PRO B 799 -13.846 12.628 14.418 1.00 45.98 H new ATOM 0 HG2 PRO B 799 -12.169 10.613 13.539 1.00 39.45 H new ATOM 0 HG3 PRO B 799 -11.832 12.128 13.694 1.00 39.45 H new ATOM 0 HD2 PRO B 799 -11.050 10.347 15.435 1.00 39.50 H new ATOM 0 HD3 PRO B 799 -11.142 11.863 15.788 1.00 39.50 H new ATOM 2340 N TYR B 800 -15.956 9.570 15.282 1.00 48.78 N ATOM 2341 CA TYR B 800 -16.730 8.436 14.801 1.00 59.89 C ATOM 2342 C TYR B 800 -17.029 8.637 13.294 1.00 57.07 C ATOM 2343 O TYR B 800 -17.507 9.724 12.858 1.00 55.20 O ATOM 2344 CB TYR B 800 -18.044 8.385 15.560 1.00 64.68 C ATOM 2345 CG TYR B 800 -18.879 7.246 15.104 1.00 80.56 C ATOM 2346 CD1 TYR B 800 -18.516 5.945 15.427 1.00 84.45 C ATOM 2347 CD2 TYR B 800 -20.020 7.454 14.311 1.00 90.06 C ATOM 2348 CE1 TYR B 800 -19.268 4.877 15.001 1.00 90.96 C ATOM 2349 CE2 TYR B 800 -20.786 6.383 13.874 1.00 94.86 C ATOM 2350 CZ TYR B 800 -20.402 5.094 14.226 1.00 97.01 C ATOM 2351 OH TYR B 800 -21.142 4.016 13.813 1.00104.81 O ATOM 0 H TYR B 800 -16.440 10.242 15.514 1.00 48.78 H new ATOM 0 HA TYR B 800 -16.235 7.613 14.935 1.00 59.89 H new ATOM 0 HB2 TYR B 800 -17.869 8.302 16.510 1.00 64.68 H new ATOM 0 HB3 TYR B 800 -18.527 9.216 15.432 1.00 64.68 H new ATOM 0 HD1 TYR B 800 -17.754 5.795 15.938 1.00 84.45 H new ATOM 0 HD2 TYR B 800 -20.265 8.320 14.076 1.00 90.06 H new ATOM 0 HE1 TYR B 800 -19.019 4.011 15.230 1.00 90.96 H new ATOM 0 HE2 TYR B 800 -21.544 6.525 13.354 1.00 94.86 H new ATOM 0 HH TYR B 800 -21.795 4.282 13.357 1.00104.81 H new ATOM 2352 N TYR B 801 -16.756 7.612 12.500 1.00 53.38 N ATOM 2353 CA TYR B 801 -16.984 7.715 11.059 1.00 55.07 C ATOM 2354 C TYR B 801 -18.030 6.674 10.571 1.00 59.99 C ATOM 2355 O TYR B 801 -19.249 6.929 10.679 1.00 56.24 O ATOM 2356 CB TYR B 801 -15.660 7.626 10.298 1.00 46.21 C ATOM 2357 CG TYR B 801 -14.752 8.801 10.433 1.00 39.17 C ATOM 2358 CD1 TYR B 801 -15.209 10.100 10.252 1.00 33.60 C ATOM 2359 CD2 TYR B 801 -13.416 8.609 10.718 1.00 44.71 C ATOM 2360 CE1 TYR B 801 -14.370 11.185 10.331 1.00 32.90 C ATOM 2361 CE2 TYR B 801 -12.555 9.705 10.830 1.00 41.43 C ATOM 2362 CZ TYR B 801 -13.058 10.978 10.619 1.00 34.72 C ATOM 2363 OH TYR B 801 -12.238 12.046 10.744 1.00 37.78 O ATOM 0 H TYR B 801 -16.443 6.857 12.766 1.00 53.38 H new ATOM 0 HA TYR B 801 -17.365 8.587 10.869 1.00 55.07 H new ATOM 0 HB2 TYR B 801 -15.185 6.836 10.600 1.00 46.21 H new ATOM 0 HB3 TYR B 801 -15.856 7.497 9.357 1.00 46.21 H new ATOM 0 HD1 TYR B 801 -16.111 10.240 10.072 1.00 33.60 H new ATOM 0 HD2 TYR B 801 -13.087 7.747 10.836 1.00 44.71 H new ATOM 0 HE1 TYR B 801 -14.694 12.045 10.190 1.00 32.90 H new ATOM 0 HE2 TYR B 801 -11.658 9.581 11.043 1.00 41.43 H new ATOM 0 HH TYR B 801 -12.595 12.717 10.385 1.00 37.78 H new ATOM 2364 N ASN B 802 -17.535 5.539 10.052 1.00 64.25 N ATOM 2365 CA ASN B 802 -18.314 4.415 9.538 1.00 68.11 C ATOM 2366 C ASN B 802 -17.932 3.211 10.431 1.00 81.84 C ATOM 2367 O ASN B 802 -17.142 2.362 9.999 1.00101.62 O ATOM 2368 CB ASN B 802 -17.937 4.081 8.041 1.00 62.14 C ATOM 2369 CG ASN B 802 -17.863 5.321 7.100 1.00 46.84 C ATOM 2370 OD1 ASN B 802 -18.849 5.978 6.868 1.00 39.19 O ATOM 2371 ND2 ASN B 802 -16.686 5.585 6.507 1.00 41.61 N ATOM 0 H ASN B 802 -16.688 5.404 9.990 1.00 64.25 H new ATOM 0 HA ASN B 802 -19.262 4.620 9.555 1.00 68.11 H new ATOM 0 HB2 ASN B 802 -17.079 3.629 8.029 1.00 62.14 H new ATOM 0 HB3 ASN B 802 -18.591 3.459 7.686 1.00 62.14 H new ATOM 0 HD21 ASN B 802 -16.623 6.235 5.947 1.00 41.61 H new ATOM 0 HD22 ASN B 802 -15.996 5.104 6.687 1.00 41.61 H new ATOM 2372 N ARG B 803 -18.437 3.135 11.668 1.00 96.96 N ATOM 2373 CA ARG B 803 -18.035 2.033 12.574 1.00106.32 C ATOM 2374 C ARG B 803 -18.453 0.677 11.990 1.00109.02 C ATOM 2375 O ARG B 803 -19.624 0.503 11.662 1.00104.10 O ATOM 2376 CB ARG B 803 -18.625 2.153 13.976 1.00102.97 C ATOM 0 H ARG B 803 -19.000 3.693 12.001 1.00 96.96 H new ATOM 0 HA ARG B 803 -17.070 2.097 12.650 1.00106.32 H new ATOM 2377 N GLU B 804 -17.525 -0.270 11.821 1.00119.87 N ATOM 2378 CA GLU B 804 -16.071 -0.081 11.997 1.00120.08 C ATOM 2379 C GLU B 804 -15.330 -0.796 10.860 1.00118.16 C ATOM 2380 O GLU B 804 -15.109 -0.183 9.810 1.00126.67 O ATOM 2381 CB GLU B 804 -15.606 -0.525 13.398 1.00112.90 C ATOM 0 H GLU B 804 -17.729 -1.073 11.592 1.00119.87 H new ATOM 0 HA GLU B 804 -15.857 0.864 11.945 1.00120.08 H new ATOM 2382 N GLY B 805 -14.977 -2.073 11.034 1.00111.55 N ATOM 2383 CA GLY B 805 -14.117 -2.759 10.075 1.00108.07 C ATOM 2384 C GLY B 805 -12.890 -1.908 9.770 1.00114.73 C ATOM 2385 O GLY B 805 -12.269 -1.368 10.692 1.00123.52 O ATOM 0 H GLY B 805 -15.226 -2.556 11.701 1.00111.55 H new ATOM 0 HA2 GLY B 805 -13.843 -3.618 10.432 1.00108.07 H new ATOM 0 HA3 GLY B 805 -14.608 -2.936 9.258 1.00108.07 H new ATOM 2386 N SER B 806 -12.569 -1.767 8.479 1.00117.46 N ATOM 2387 CA SER B 806 -11.470 -0.907 7.999 1.00109.00 C ATOM 2388 C SER B 806 -11.930 0.442 7.363 1.00103.66 C ATOM 2389 O SER B 806 -11.090 1.182 6.826 1.00104.79 O ATOM 2390 CB SER B 806 -10.593 -1.693 7.005 1.00102.08 C ATOM 0 H SER B 806 -12.987 -2.173 7.847 1.00117.46 H new ATOM 0 HA SER B 806 -10.961 -0.660 8.787 1.00109.00 H new ATOM 2391 N GLN B 807 -13.222 0.795 7.466 1.00 94.02 N ATOM 2392 CA GLN B 807 -13.787 1.966 6.733 1.00 82.23 C ATOM 2393 C GLN B 807 -13.488 3.369 7.352 1.00 65.50 C ATOM 2394 O GLN B 807 -14.121 4.361 6.987 1.00 56.44 O ATOM 2395 CB GLN B 807 -15.305 1.775 6.485 1.00 75.97 C ATOM 0 H GLN B 807 -13.794 0.375 7.952 1.00 94.02 H new ATOM 0 HA GLN B 807 -13.311 1.977 5.888 1.00 82.23 H new ATOM 2396 N GLY B 808 -12.554 3.452 8.301 1.00 57.50 N ATOM 2397 CA GLY B 808 -11.976 4.740 8.696 1.00 52.09 C ATOM 2398 C GLY B 808 -10.895 5.219 7.722 1.00 45.78 C ATOM 2399 O GLY B 808 -10.460 4.472 6.832 1.00 40.37 O ATOM 0 H GLY B 808 -12.241 2.775 8.729 1.00 57.50 H new ATOM 0 HA2 GLY B 808 -12.680 5.405 8.747 1.00 52.09 H new ATOM 0 HA3 GLY B 808 -11.595 4.662 9.585 1.00 52.09 H new ATOM 2400 N PRO B 809 -10.434 6.468 7.903 1.00 41.52 N ATOM 2401 CA PRO B 809 -9.460 7.022 6.969 1.00 37.93 C ATOM 2402 C PRO B 809 -8.077 6.354 7.111 1.00 39.55 C ATOM 2403 O PRO B 809 -7.808 5.572 8.093 1.00 36.35 O ATOM 2404 CB PRO B 809 -9.369 8.520 7.389 1.00 36.64 C ATOM 2405 CG PRO B 809 -9.607 8.488 8.851 1.00 37.73 C ATOM 2406 CD PRO B 809 -10.535 7.293 9.134 1.00 40.61 C ATOM 0 HA PRO B 809 -9.725 6.885 6.046 1.00 37.93 H new ATOM 0 HB2 PRO B 809 -8.501 8.898 7.177 1.00 36.64 H new ATOM 0 HB3 PRO B 809 -10.033 9.060 6.931 1.00 36.64 H new ATOM 0 HG2 PRO B 809 -8.770 8.393 9.332 1.00 37.73 H new ATOM 0 HG3 PRO B 809 -10.014 9.316 9.150 1.00 37.73 H new ATOM 0 HD2 PRO B 809 -10.250 6.799 9.918 1.00 40.61 H new ATOM 0 HD3 PRO B 809 -11.447 7.581 9.296 1.00 40.61 H new ATOM 2407 N GLN B 810 -7.187 6.754 6.206 1.00 41.44 N ATOM 2408 CA GLN B 810 -5.850 6.192 6.150 1.00 48.19 C ATOM 2409 C GLN B 810 -5.114 6.427 7.483 1.00 43.89 C ATOM 2410 O GLN B 810 -4.507 5.490 8.040 1.00 48.38 O ATOM 2411 CB GLN B 810 -5.086 6.772 4.960 1.00 57.94 C ATOM 2412 CG GLN B 810 -3.786 6.040 4.627 1.00 68.99 C ATOM 2413 CD GLN B 810 -2.849 6.894 3.775 1.00 79.64 C ATOM 2414 OE1 GLN B 810 -2.416 7.979 4.187 1.00 79.38 O ATOM 2415 NE2 GLN B 810 -2.525 6.406 2.586 1.00 83.90 N ATOM 0 H GLN B 810 -7.344 7.356 5.612 1.00 41.44 H new ATOM 0 HA GLN B 810 -5.909 5.233 6.019 1.00 48.19 H new ATOM 0 HB2 GLN B 810 -5.663 6.755 4.180 1.00 57.94 H new ATOM 0 HB3 GLN B 810 -4.883 7.703 5.143 1.00 57.94 H new ATOM 0 HG2 GLN B 810 -3.336 5.791 5.450 1.00 68.99 H new ATOM 0 HG3 GLN B 810 -3.991 5.218 4.155 1.00 68.99 H new ATOM 0 HE21 GLN B 810 -2.844 5.649 2.331 1.00 83.90 H new ATOM 0 HE22 GLN B 810 -1.996 6.846 2.070 1.00 83.90 H new ATOM 2416 N LYS B 811 -5.173 7.646 8.007 1.00 33.29 N ATOM 2417 CA LYS B 811 -4.667 7.907 9.355 1.00 31.89 C ATOM 2418 C LYS B 811 -5.621 8.857 10.114 1.00 28.22 C ATOM 2419 O LYS B 811 -5.660 10.039 9.785 1.00 25.67 O ATOM 2420 CB LYS B 811 -3.287 8.532 9.269 1.00 36.13 C ATOM 2421 CG LYS B 811 -2.651 8.872 10.604 1.00 36.15 C ATOM 2422 CD LYS B 811 -1.179 9.207 10.385 1.00 39.42 C ATOM 2423 CE LYS B 811 -0.555 9.716 11.657 1.00 42.70 C ATOM 2424 NZ LYS B 811 0.785 10.303 11.394 1.00 49.95 N ATOM 0 H LYS B 811 -5.499 8.333 7.605 1.00 33.29 H new ATOM 0 HA LYS B 811 -4.614 7.067 9.837 1.00 31.89 H new ATOM 0 HB2 LYS B 811 -2.701 7.924 8.793 1.00 36.13 H new ATOM 0 HB3 LYS B 811 -3.346 9.342 8.739 1.00 36.13 H new ATOM 0 HG2 LYS B 811 -3.108 9.625 11.011 1.00 36.15 H new ATOM 0 HG3 LYS B 811 -2.737 8.124 11.216 1.00 36.15 H new ATOM 0 HD2 LYS B 811 -0.705 8.418 10.080 1.00 39.42 H new ATOM 0 HD3 LYS B 811 -1.095 9.876 9.688 1.00 39.42 H new ATOM 0 HE2 LYS B 811 -1.131 10.384 12.059 1.00 42.70 H new ATOM 0 HE3 LYS B 811 -0.474 8.990 12.295 1.00 42.70 H new ATOM 0 HZ1 LYS B 811 1.190 10.478 12.167 1.00 49.95 H new ATOM 0 HZ2 LYS B 811 1.275 9.726 10.926 1.00 49.95 H new ATOM 0 HZ3 LYS B 811 0.693 11.057 10.931 1.00 49.95 H new ATOM 2425 N PRO B 812 -6.375 8.330 11.070 1.00 27.42 N ATOM 2426 CA PRO B 812 -7.228 9.198 11.889 1.00 28.95 C ATOM 2427 C PRO B 812 -6.392 10.086 12.837 1.00 30.73 C ATOM 2428 O PRO B 812 -5.286 9.705 13.230 1.00 25.61 O ATOM 2429 CB PRO B 812 -8.135 8.232 12.644 1.00 31.32 C ATOM 2430 CG PRO B 812 -7.644 6.903 12.397 1.00 32.47 C ATOM 2431 CD PRO B 812 -6.654 6.905 11.298 1.00 31.73 C ATOM 0 HA PRO B 812 -7.739 9.827 11.356 1.00 28.95 H new ATOM 0 HB2 PRO B 812 -8.128 8.428 13.594 1.00 31.32 H new ATOM 0 HB3 PRO B 812 -9.053 8.319 12.343 1.00 31.32 H new ATOM 0 HG2 PRO B 812 -7.238 6.549 13.203 1.00 32.47 H new ATOM 0 HG3 PRO B 812 -8.383 6.317 12.171 1.00 32.47 H new ATOM 0 HD2 PRO B 812 -5.850 6.421 11.544 1.00 31.73 H new ATOM 0 HD3 PRO B 812 -7.008 6.481 10.501 1.00 31.73 H new ATOM 2432 N MET B 813 -6.875 11.301 13.059 1.00 23.72 N ATOM 2433 CA MET B 813 -6.186 12.281 13.863 1.00 22.37 C ATOM 2434 C MET B 813 -7.183 13.215 14.588 1.00 21.81 C ATOM 2435 O MET B 813 -8.291 13.477 14.085 1.00 22.22 O ATOM 2436 CB MET B 813 -5.198 13.058 13.027 1.00 19.94 C ATOM 2437 CG MET B 813 -4.190 13.904 13.796 1.00 20.78 C ATOM 2438 SD MET B 813 -3.233 12.990 15.093 1.00 23.45 S ATOM 2439 CE MET B 813 -2.511 11.698 14.024 1.00 26.15 C ATOM 0 H MET B 813 -7.624 11.578 12.739 1.00 23.72 H new ATOM 0 HA MET B 813 -5.686 11.812 14.549 1.00 22.37 H new ATOM 0 HB2 MET B 813 -4.710 12.432 12.470 1.00 19.94 H new ATOM 0 HB3 MET B 813 -5.694 13.640 12.431 1.00 19.94 H new ATOM 0 HG2 MET B 813 -3.564 14.292 13.164 1.00 20.78 H new ATOM 0 HG3 MET B 813 -4.660 14.640 14.218 1.00 20.78 H new ATOM 0 HE1 MET B 813 -1.653 11.423 14.383 1.00 26.15 H new ATOM 0 HE2 MET B 813 -3.107 10.934 13.992 1.00 26.15 H new ATOM 0 HE3 MET B 813 -2.389 12.050 13.128 1.00 26.15 H new ATOM 2440 N TRP B 814 -6.818 13.617 15.807 1.00 19.18 N ATOM 2441 CA TRP B 814 -7.657 14.515 16.585 1.00 18.74 C ATOM 2442 C TRP B 814 -6.753 15.313 17.534 1.00 18.98 C ATOM 2443 O TRP B 814 -5.575 14.919 17.735 1.00 18.50 O ATOM 2444 CB TRP B 814 -8.784 13.769 17.309 1.00 20.61 C ATOM 2445 CG TRP B 814 -8.417 12.607 18.194 1.00 21.63 C ATOM 2446 CD1 TRP B 814 -8.247 12.663 19.515 1.00 22.85 C ATOM 2447 CD2 TRP B 814 -8.129 11.269 17.803 1.00 22.80 C ATOM 2448 NE1 TRP B 814 -7.876 11.434 20.017 1.00 22.58 N ATOM 2449 CE2 TRP B 814 -7.773 10.565 18.970 1.00 25.80 C ATOM 2450 CE3 TRP B 814 -8.072 10.605 16.571 1.00 25.34 C ATOM 2451 CZ2 TRP B 814 -7.440 9.198 18.956 1.00 25.95 C ATOM 2452 CZ3 TRP B 814 -7.729 9.263 16.536 1.00 26.01 C ATOM 2453 CH2 TRP B 814 -7.420 8.566 17.734 1.00 29.39 C ATOM 0 H TRP B 814 -6.089 13.379 16.197 1.00 19.18 H new ATOM 0 HA TRP B 814 -8.114 15.135 15.995 1.00 18.74 H new ATOM 0 HB2 TRP B 814 -9.265 14.414 17.851 1.00 20.61 H new ATOM 0 HB3 TRP B 814 -9.404 13.445 16.637 1.00 20.61 H new ATOM 0 HD1 TRP B 814 -8.363 13.429 20.029 1.00 22.85 H new ATOM 0 HE1 TRP B 814 -7.734 11.248 20.845 1.00 22.58 H new ATOM 0 HE3 TRP B 814 -8.263 11.061 15.783 1.00 25.34 H new ATOM 0 HZ2 TRP B 814 -7.241 8.740 19.741 1.00 25.95 H new ATOM 0 HZ3 TRP B 814 -7.701 8.815 15.721 1.00 26.01 H new ATOM 0 HH2 TRP B 814 -7.200 7.664 17.692 1.00 29.39 H new ATOM 2454 N LEU B 815 -7.269 16.416 18.107 1.00 17.03 N ATOM 2455 CA LEU B 815 -6.417 17.294 18.828 1.00 17.40 C ATOM 2456 C LEU B 815 -5.865 16.612 20.101 1.00 19.35 C ATOM 2457 O LEU B 815 -4.725 16.811 20.404 1.00 18.85 O ATOM 2458 CB LEU B 815 -7.116 18.579 19.188 1.00 18.58 C ATOM 2459 CG LEU B 815 -7.547 19.444 18.012 1.00 17.21 C ATOM 2460 CD1 LEU B 815 -8.537 20.480 18.592 1.00 18.38 C ATOM 2461 CD2 LEU B 815 -6.368 20.125 17.355 1.00 18.66 C ATOM 0 H LEU B 815 -8.097 16.647 18.076 1.00 17.03 H new ATOM 0 HA LEU B 815 -5.673 17.511 18.244 1.00 17.40 H new ATOM 0 HB2 LEU B 815 -7.901 18.365 19.716 1.00 18.58 H new ATOM 0 HB3 LEU B 815 -6.527 19.101 19.754 1.00 18.58 H new ATOM 0 HG LEU B 815 -7.959 18.906 17.318 1.00 17.21 H new ATOM 0 HD11 LEU B 815 -8.848 21.064 17.882 1.00 18.38 H new ATOM 0 HD12 LEU B 815 -9.294 20.019 18.986 1.00 18.38 H new ATOM 0 HD13 LEU B 815 -8.091 21.008 19.272 1.00 18.38 H new ATOM 0 HD21 LEU B 815 -6.679 20.666 16.612 1.00 18.66 H new ATOM 0 HD22 LEU B 815 -5.920 20.692 18.002 1.00 18.66 H new ATOM 0 HD23 LEU B 815 -5.748 19.455 17.029 1.00 18.66 H new ATOM 2462 N ASN B 816 -6.654 15.829 20.787 1.00 17.91 N ATOM 2463 CA ASN B 816 -6.164 15.202 21.989 1.00 17.97 C ATOM 2464 C ASN B 816 -5.009 14.211 21.692 1.00 18.75 C ATOM 2465 O ASN B 816 -4.152 14.048 22.566 1.00 18.40 O ATOM 2466 CB ASN B 816 -7.251 14.528 22.753 1.00 19.54 C ATOM 2467 CG ASN B 816 -8.279 15.503 23.386 1.00 21.71 C ATOM 2468 OD1 ASN B 816 -8.078 16.740 23.480 1.00 20.74 O ATOM 2469 ND2 ASN B 816 -9.387 14.913 23.856 1.00 21.34 N ATOM 0 H ASN B 816 -7.469 15.646 20.581 1.00 17.91 H new ATOM 0 HA ASN B 816 -5.812 15.914 22.545 1.00 17.97 H new ATOM 0 HB2 ASN B 816 -7.719 13.919 22.161 1.00 19.54 H new ATOM 0 HB3 ASN B 816 -6.854 13.991 23.456 1.00 19.54 H new ATOM 0 HD21 ASN B 816 -9.995 15.384 24.240 1.00 21.34 H new ATOM 0 HD22 ASN B 816 -9.490 14.063 23.773 1.00 21.34 H new ATOM 2470 N LYS B 817 -5.021 13.573 20.507 1.00 18.27 N ATOM 2471 CA LYS B 817 -3.961 12.703 20.076 1.00 20.99 C ATOM 2472 C LYS B 817 -2.700 13.520 19.779 1.00 21.38 C ATOM 2473 O LYS B 817 -1.587 13.124 20.184 1.00 19.27 O ATOM 2474 CB LYS B 817 -4.390 11.865 18.932 1.00 21.45 C ATOM 2475 CG LYS B 817 -3.348 10.878 18.503 1.00 26.46 C ATOM 2476 CD LYS B 817 -3.873 10.054 17.360 1.00 32.41 C ATOM 2477 CE LYS B 817 -2.807 8.976 17.075 1.00 46.10 C ATOM 2478 NZ LYS B 817 -2.750 8.583 15.642 1.00 57.41 N ATOM 0 H LYS B 817 -5.662 13.647 19.938 1.00 18.27 H new ATOM 0 HA LYS B 817 -3.742 12.087 20.792 1.00 20.99 H new ATOM 0 HB2 LYS B 817 -5.200 11.388 19.173 1.00 21.45 H new ATOM 0 HB3 LYS B 817 -4.612 12.439 18.182 1.00 21.45 H new ATOM 0 HG2 LYS B 817 -2.540 11.343 18.234 1.00 26.46 H new ATOM 0 HG3 LYS B 817 -3.110 10.302 19.246 1.00 26.46 H new ATOM 0 HD2 LYS B 817 -4.723 9.647 17.589 1.00 32.41 H new ATOM 0 HD3 LYS B 817 -4.024 10.606 16.577 1.00 32.41 H new ATOM 0 HE2 LYS B 817 -1.938 9.307 17.350 1.00 46.10 H new ATOM 0 HE3 LYS B 817 -2.995 8.191 17.614 1.00 46.10 H new ATOM 0 HZ1 LYS B 817 -2.355 7.789 15.567 1.00 57.41 H new ATOM 0 HZ2 LYS B 817 -3.576 8.535 15.314 1.00 57.41 H new ATOM 0 HZ3 LYS B 817 -2.285 9.190 15.186 1.00 57.41 H new ATOM 2479 N VAL B 818 -2.833 14.709 19.202 1.00 17.89 N ATOM 2480 CA VAL B 818 -1.671 15.546 19.013 1.00 19.77 C ATOM 2481 C VAL B 818 -1.134 16.025 20.351 1.00 18.79 C ATOM 2482 O VAL B 818 0.098 16.111 20.559 1.00 17.59 O ATOM 2483 CB VAL B 818 -1.968 16.755 18.104 1.00 18.30 C ATOM 2484 CG1 VAL B 818 -0.810 17.729 17.987 1.00 18.86 C ATOM 2485 CG2 VAL B 818 -2.371 16.277 16.745 1.00 19.59 C ATOM 0 H VAL B 818 -3.575 15.040 18.920 1.00 17.89 H new ATOM 0 HA VAL B 818 -0.999 15.003 18.572 1.00 19.77 H new ATOM 0 HB VAL B 818 -2.694 17.244 18.523 1.00 18.30 H new ATOM 0 HG11 VAL B 818 -1.061 18.462 17.404 1.00 18.86 H new ATOM 0 HG12 VAL B 818 -0.589 18.076 18.865 1.00 18.86 H new ATOM 0 HG13 VAL B 818 -0.039 17.272 17.617 1.00 18.86 H new ATOM 0 HG21 VAL B 818 -2.557 17.040 16.175 1.00 19.59 H new ATOM 0 HG22 VAL B 818 -1.651 15.754 16.359 1.00 19.59 H new ATOM 0 HG23 VAL B 818 -3.167 15.727 16.818 1.00 19.59 H new ATOM 2486 N LYS B 819 -2.032 16.423 21.262 1.00 18.57 N ATOM 2487 CA LYS B 819 -1.587 16.779 22.616 1.00 18.58 C ATOM 2488 C LYS B 819 -0.712 15.672 23.277 1.00 16.30 C ATOM 2489 O LYS B 819 0.362 15.945 23.845 1.00 17.82 O ATOM 2490 CB LYS B 819 -2.818 17.116 23.501 1.00 18.91 C ATOM 2491 CG LYS B 819 -2.459 17.603 24.897 1.00 20.64 C ATOM 2492 CD LYS B 819 -3.690 17.907 25.726 1.00 24.09 C ATOM 2493 CE LYS B 819 -4.130 19.311 25.529 1.00 26.45 C ATOM 2494 NZ LYS B 819 -5.091 19.840 26.564 1.00 30.57 N ATOM 0 H LYS B 819 -2.878 16.492 21.123 1.00 18.57 H new ATOM 0 HA LYS B 819 -1.019 17.562 22.539 1.00 18.58 H new ATOM 0 HB2 LYS B 819 -3.348 17.796 23.057 1.00 18.91 H new ATOM 0 HB3 LYS B 819 -3.376 16.326 23.577 1.00 18.91 H new ATOM 0 HG2 LYS B 819 -1.926 16.929 25.347 1.00 20.64 H new ATOM 0 HG3 LYS B 819 -1.911 18.400 24.829 1.00 20.64 H new ATOM 0 HD2 LYS B 819 -4.407 17.302 25.480 1.00 24.09 H new ATOM 0 HD3 LYS B 819 -3.498 17.753 26.664 1.00 24.09 H new ATOM 0 HE2 LYS B 819 -3.345 19.881 25.517 1.00 26.45 H new ATOM 0 HE3 LYS B 819 -4.547 19.384 24.656 1.00 26.45 H new ATOM 0 HZ1 LYS B 819 -5.369 20.651 26.324 1.00 30.57 H new ATOM 0 HZ2 LYS B 819 -5.791 19.293 26.627 1.00 30.57 H new ATOM 0 HZ3 LYS B 819 -4.681 19.888 27.353 1.00 30.57 H new ATOM 2495 N THR B 820 -1.221 14.454 23.247 1.00 15.46 N ATOM 2496 CA THR B 820 -0.478 13.322 23.818 1.00 19.24 C ATOM 2497 C THR B 820 0.859 13.142 23.124 1.00 17.55 C ATOM 2498 O THR B 820 1.850 12.902 23.815 1.00 20.44 O ATOM 2499 CB THR B 820 -1.324 12.052 23.685 1.00 20.09 C ATOM 2500 OG1 THR B 820 -2.433 12.202 24.539 1.00 25.10 O ATOM 2501 CG2 THR B 820 -0.493 10.801 24.070 1.00 27.20 C ATOM 0 H THR B 820 -1.985 14.253 22.907 1.00 15.46 H new ATOM 0 HA THR B 820 -0.301 13.500 24.755 1.00 19.24 H new ATOM 0 HB THR B 820 -1.616 11.927 22.769 1.00 20.09 H new ATOM 0 HG1 THR B 820 -3.065 11.721 24.265 1.00 25.10 H new ATOM 0 HG21 THR B 820 -1.043 10.007 23.980 1.00 27.20 H new ATOM 0 HG22 THR B 820 0.276 10.730 23.483 1.00 27.20 H new ATOM 0 HG23 THR B 820 -0.191 10.883 24.988 1.00 27.20 H new ATOM 2502 N SER B 821 0.904 13.243 21.806 1.00 16.95 N ATOM 2503 CA SER B 821 2.131 13.069 21.028 1.00 19.14 C ATOM 2504 C SER B 821 3.193 14.085 21.357 1.00 22.38 C ATOM 2505 O SER B 821 4.376 13.745 21.524 1.00 20.48 O ATOM 2506 CB SER B 821 1.888 13.038 19.533 1.00 19.63 C ATOM 2507 OG SER B 821 1.043 11.947 19.185 1.00 20.27 O ATOM 0 H SER B 821 0.213 13.418 21.325 1.00 16.95 H new ATOM 0 HA SER B 821 2.462 12.197 21.295 1.00 19.14 H new ATOM 0 HB2 SER B 821 1.482 13.872 19.249 1.00 19.63 H new ATOM 0 HB3 SER B 821 2.734 12.961 19.064 1.00 19.63 H new ATOM 0 HG SER B 821 0.254 12.118 19.418 1.00 20.27 H new ATOM 2508 N LEU B 822 2.791 15.346 21.482 1.00 19.84 N ATOM 2509 CA LEU B 822 3.693 16.385 22.011 1.00 19.30 C ATOM 2510 C LEU B 822 4.190 16.142 23.394 1.00 21.40 C ATOM 2511 O LEU B 822 5.397 16.331 23.670 1.00 23.16 O ATOM 2512 CB LEU B 822 3.004 17.775 22.037 1.00 22.49 C ATOM 2513 CG LEU B 822 3.051 18.642 20.864 1.00 23.16 C ATOM 2514 CD1 LEU B 822 2.096 19.862 21.126 1.00 21.01 C ATOM 2515 CD2 LEU B 822 4.505 19.106 20.525 1.00 21.45 C ATOM 0 H LEU B 822 2.006 15.627 21.270 1.00 19.84 H new ATOM 0 HA LEU B 822 4.446 16.356 21.400 1.00 19.30 H new ATOM 0 HB2 LEU B 822 2.069 17.628 22.248 1.00 22.49 H new ATOM 0 HB3 LEU B 822 3.387 18.272 22.777 1.00 22.49 H new ATOM 0 HG LEU B 822 2.751 18.147 20.085 1.00 23.16 H new ATOM 0 HD11 LEU B 822 2.110 20.455 20.358 1.00 21.01 H new ATOM 0 HD12 LEU B 822 1.192 19.541 21.270 1.00 21.01 H new ATOM 0 HD13 LEU B 822 2.396 20.345 21.912 1.00 21.01 H new ATOM 0 HD21 LEU B 822 4.488 19.678 19.742 1.00 21.45 H new ATOM 0 HD22 LEU B 822 4.871 19.598 21.276 1.00 21.45 H new ATOM 0 HD23 LEU B 822 5.059 18.330 20.346 1.00 21.45 H new ATOM 2516 N ASN B 823 3.312 15.754 24.305 1.00 23.43 N ATOM 2517 CA ASN B 823 3.695 15.448 25.698 1.00 22.84 C ATOM 2518 C ASN B 823 4.718 14.274 25.727 1.00 22.42 C ATOM 2519 O ASN B 823 5.610 14.258 26.523 1.00 24.77 O ATOM 2520 CB ASN B 823 2.443 15.083 26.525 1.00 25.04 C ATOM 2521 CG ASN B 823 2.758 14.677 27.981 1.00 27.84 C ATOM 2522 OD1 ASN B 823 2.366 13.595 28.472 1.00 35.01 O ATOM 2523 ND2 ASN B 823 3.457 15.498 28.636 1.00 27.88 N ATOM 0 H ASN B 823 2.473 15.657 24.144 1.00 23.43 H new ATOM 0 HA ASN B 823 4.110 16.233 26.088 1.00 22.84 H new ATOM 0 HB2 ASN B 823 1.838 15.841 26.533 1.00 25.04 H new ATOM 0 HB3 ASN B 823 1.978 14.353 26.087 1.00 25.04 H new ATOM 0 HD21 ASN B 823 3.679 15.322 29.448 1.00 27.88 H new ATOM 0 HD22 ASN B 823 3.711 16.234 28.271 1.00 27.88 H new ATOM 2524 N GLU B 824 4.579 13.331 24.821 1.00 19.89 N ATOM 2525 CA GLU B 824 5.378 12.145 24.801 1.00 23.18 C ATOM 2526 C GLU B 824 6.638 12.347 23.949 1.00 23.48 C ATOM 2527 O GLU B 824 7.378 11.389 23.728 1.00 22.47 O ATOM 2528 CB GLU B 824 4.522 10.948 24.361 1.00 24.24 C ATOM 2529 CG GLU B 824 3.563 10.640 25.483 1.00 30.87 C ATOM 2530 CD GLU B 824 2.590 9.490 25.245 1.00 41.97 C ATOM 2531 OE1 GLU B 824 2.671 8.816 24.219 1.00 45.79 O ATOM 2532 OE2 GLU B 824 1.730 9.255 26.148 1.00 53.85 O ATOM 0 H GLU B 824 4.000 13.369 24.186 1.00 19.89 H new ATOM 0 HA GLU B 824 5.697 11.949 25.696 1.00 23.18 H new ATOM 0 HB2 GLU B 824 4.038 11.156 23.546 1.00 24.24 H new ATOM 0 HB3 GLU B 824 5.082 10.179 24.170 1.00 24.24 H new ATOM 0 HG2 GLU B 824 4.080 10.441 26.279 1.00 30.87 H new ATOM 0 HG3 GLU B 824 3.048 11.440 25.671 1.00 30.87 H new ATOM 2533 N GLN B 825 6.820 13.575 23.434 1.00 23.00 N ATOM 2534 CA GLN B 825 7.952 13.942 22.594 1.00 25.02 C ATOM 2535 C GLN B 825 8.100 13.089 21.352 1.00 26.40 C ATOM 2536 O GLN B 825 9.217 12.694 20.955 1.00 26.14 O ATOM 2537 CB GLN B 825 9.257 13.958 23.458 1.00 27.23 C ATOM 2538 CG GLN B 825 9.111 14.826 24.698 1.00 30.04 C ATOM 2539 CD GLN B 825 10.200 14.581 25.716 1.00 33.50 C ATOM 2540 OE1 GLN B 825 10.357 13.457 26.150 1.00 34.84 O ATOM 2541 NE2 GLN B 825 10.978 15.621 26.057 1.00 28.74 N ATOM 0 H GLN B 825 6.273 14.224 23.572 1.00 23.00 H new ATOM 0 HA GLN B 825 7.781 14.834 22.253 1.00 25.02 H new ATOM 0 HB2 GLN B 825 9.479 13.052 23.723 1.00 27.23 H new ATOM 0 HB3 GLN B 825 9.995 14.285 22.921 1.00 27.23 H new ATOM 0 HG2 GLN B 825 9.122 15.760 24.437 1.00 30.04 H new ATOM 0 HG3 GLN B 825 8.248 14.656 25.107 1.00 30.04 H new ATOM 0 HE21 GLN B 825 10.827 16.399 25.723 1.00 28.74 H new ATOM 0 HE22 GLN B 825 11.627 15.509 26.610 1.00 28.74 H new ATOM 2542 N MET B 826 6.963 12.800 20.722 1.00 24.75 N ATOM 2543 CA AMET B 826 6.882 11.954 19.533 0.59 24.58 C ATOM 2544 CA BMET B 826 6.890 11.958 19.530 0.41 25.67 C ATOM 2545 C MET B 826 7.315 12.685 18.255 1.00 25.84 C ATOM 2546 O MET B 826 7.552 12.062 17.274 1.00 28.30 O ATOM 2547 CB AMET B 826 5.466 11.376 19.373 0.59 25.30 C ATOM 2548 CB BMET B 826 5.483 11.366 19.382 0.41 27.53 C ATOM 2549 CG AMET B 826 5.043 10.382 20.456 0.59 27.99 C ATOM 2550 CG BMET B 826 5.164 10.430 20.532 0.41 30.90 C ATOM 2551 SD AMET B 826 6.183 8.958 20.664 0.59 31.03 S ATOM 2552 SD BMET B 826 3.662 9.444 20.509 0.41 35.00 S ATOM 2553 CE AMET B 826 5.885 8.054 19.143 0.59 30.83 C ATOM 2554 CE BMET B 826 3.440 8.985 18.801 0.41 34.07 C ATOM 0 H AMET B 826 6.199 13.098 20.981 0.59 24.75 H new ATOM 0 H BMET B 826 6.197 13.094 20.981 0.41 24.75 H new ATOM 0 HA AMET B 826 7.508 11.225 19.665 0.59 25.67 H new ATOM 0 HA BMET B 826 7.527 11.238 19.655 0.41 25.67 H new ATOM 0 HB2AMET B 826 4.832 12.110 19.362 0.59 27.53 H new ATOM 0 HB2BMET B 826 4.829 12.082 19.352 0.41 27.53 H new ATOM 0 HB3AMET B 826 5.407 10.937 18.510 0.59 27.53 H new ATOM 0 HB3BMET B 826 5.417 10.886 18.542 0.41 27.53 H new ATOM 0 HG2AMET B 826 4.972 10.852 21.302 0.59 30.90 H new ATOM 0 HG2BMET B 826 5.910 9.815 20.617 0.41 30.90 H new ATOM 0 HG3AMET B 826 4.158 10.046 20.244 0.59 30.90 H new ATOM 0 HG3BMET B 826 5.144 10.965 21.341 0.41 30.90 H new ATOM 0 HE1AMET B 826 6.439 7.258 19.125 0.59 34.07 H new ATOM 0 HE1BMET B 826 2.675 8.393 18.721 0.41 34.07 H new ATOM 0 HE2AMET B 826 4.951 7.798 19.096 0.59 34.07 H new ATOM 0 HE2BMET B 826 3.289 9.782 18.269 0.41 34.07 H new ATOM 0 HE3AMET B 826 6.104 8.617 18.384 0.59 34.07 H new ATOM 0 HE3BMET B 826 4.235 8.530 18.482 0.41 34.07 H new ATOM 2555 N TYR B 827 7.417 14.024 18.280 1.00 22.43 N ATOM 2556 CA TYR B 827 7.763 14.787 17.108 1.00 20.61 C ATOM 2557 C TYR B 827 9.206 15.216 17.194 1.00 20.71 C ATOM 2558 O TYR B 827 9.624 15.846 18.198 1.00 23.44 O ATOM 2559 CB TYR B 827 6.834 16.035 16.934 1.00 21.53 C ATOM 2560 CG TYR B 827 5.395 15.751 16.833 1.00 19.26 C ATOM 2561 CD1 TYR B 827 4.892 14.976 15.825 1.00 19.74 C ATOM 2562 CD2 TYR B 827 4.502 16.226 17.788 1.00 21.47 C ATOM 2563 CE1 TYR B 827 3.517 14.696 15.715 1.00 21.00 C ATOM 2564 CE2 TYR B 827 3.154 15.965 17.717 1.00 20.79 C ATOM 2565 CZ TYR B 827 2.642 15.211 16.679 1.00 20.46 C ATOM 2566 OH TYR B 827 1.311 14.928 16.619 1.00 21.05 O ATOM 0 H TYR B 827 7.285 14.500 18.984 1.00 22.43 H new ATOM 0 HA TYR B 827 7.637 14.221 16.330 1.00 20.61 H new ATOM 0 HB2 TYR B 827 6.977 16.631 17.686 1.00 21.53 H new ATOM 0 HB3 TYR B 827 7.109 16.513 16.136 1.00 21.53 H new ATOM 0 HD1 TYR B 827 5.476 14.623 15.193 1.00 19.74 H new ATOM 0 HD2 TYR B 827 4.826 16.735 18.495 1.00 21.47 H new ATOM 0 HE1 TYR B 827 3.195 14.177 15.013 1.00 21.00 H new ATOM 0 HE2 TYR B 827 2.584 16.298 18.372 1.00 20.79 H new ATOM 0 HH TYR B 827 1.147 14.497 15.917 1.00 21.05 H new ATOM 2567 N THR B 828 10.009 14.858 16.182 1.00 20.51 N ATOM 2568 CA THR B 828 11.437 15.338 16.137 1.00 20.47 C ATOM 2569 C THR B 828 11.636 16.634 15.466 1.00 19.73 C ATOM 2570 O THR B 828 12.602 17.307 15.741 1.00 19.22 O ATOM 2571 CB THR B 828 12.409 14.326 15.460 1.00 21.54 C ATOM 2572 OG1 THR B 828 11.875 13.925 14.224 1.00 21.93 O ATOM 2573 CG2 THR B 828 12.453 13.091 16.237 1.00 21.52 C ATOM 0 H THR B 828 9.773 14.356 15.525 1.00 20.51 H new ATOM 0 HA THR B 828 11.644 15.435 17.080 1.00 20.47 H new ATOM 0 HB THR B 828 13.276 14.755 15.383 1.00 21.54 H new ATOM 0 HG1 THR B 828 12.398 13.380 13.856 1.00 21.93 H new ATOM 0 HG21 THR B 828 13.059 12.463 15.813 1.00 21.52 H new ATOM 0 HG22 THR B 828 12.765 13.284 17.135 1.00 21.52 H new ATOM 0 HG23 THR B 828 11.565 12.704 16.280 1.00 21.52 H new ATOM 2574 N ARG B 829 10.753 16.955 14.519 1.00 21.52 N ATOM 2575 CA AARG B 829 10.777 18.192 13.787 0.49 21.96 C ATOM 2576 CA BARG B 829 10.794 18.222 13.845 0.51 22.73 C ATOM 2577 C ARG B 829 9.392 18.902 13.830 1.00 21.06 C ATOM 2578 O ARG B 829 8.368 18.274 13.993 1.00 20.24 O ATOM 2579 CB AARG B 829 11.160 17.895 12.317 0.49 23.33 C ATOM 2580 CB BARG B 829 11.346 18.023 12.412 0.51 25.89 C ATOM 2581 CG AARG B 829 12.622 17.479 12.138 0.49 23.10 C ATOM 2582 CG BARG B 829 12.841 17.647 12.380 0.51 26.36 C ATOM 2583 CD AARG B 829 12.962 17.057 10.713 0.49 25.28 C ATOM 2584 CD BARG B 829 13.350 17.376 10.974 0.51 30.69 C ATOM 2585 NE AARG B 829 14.389 16.725 10.709 0.49 25.79 N ATOM 2586 NE BARG B 829 14.667 16.719 11.011 0.51 30.87 N ATOM 2587 CZ AARG B 829 14.847 15.552 11.128 0.49 21.36 C ATOM 2588 CZ BARG B 829 15.839 17.319 10.912 0.51 29.05 C ATOM 2589 NH1AARG B 829 14.009 14.594 11.540 0.49 20.00 N ATOM 2590 NH1BARG B 829 16.930 16.564 10.971 0.51 29.12 N ATOM 2591 NH2AARG B 829 16.125 15.360 11.115 0.49 24.30 N ATOM 2592 NH2BARG B 829 15.950 18.640 10.728 0.51 28.73 N ATOM 0 H AARG B 829 10.109 16.434 14.287 0.49 21.52 H new ATOM 0 H BARG B 829 10.119 16.436 14.259 0.51 21.52 H new ATOM 0 HA AARG B 829 11.429 18.782 14.196 0.49 22.73 H new ATOM 0 HA BARG B 829 11.387 18.818 14.328 0.51 22.73 H new ATOM 0 HB2AARG B 829 10.587 17.190 11.977 0.49 25.89 H new ATOM 0 HB2BARG B 829 10.835 17.328 11.969 0.51 25.89 H new ATOM 0 HB3AARG B 829 10.988 18.684 11.780 0.49 25.89 H new ATOM 0 HB3BARG B 829 11.213 18.839 11.905 0.51 25.89 H new ATOM 0 HG2AARG B 829 13.195 18.218 12.395 0.49 26.36 H new ATOM 0 HG2BARG B 829 13.360 18.366 12.774 0.51 26.36 H new ATOM 0 HG3AARG B 829 12.818 16.745 12.741 0.49 26.36 H new ATOM 0 HG3BARG B 829 12.984 16.860 12.929 0.51 26.36 H new ATOM 0 HD2AARG B 829 12.429 16.293 10.442 0.49 30.69 H new ATOM 0 HD2BARG B 829 12.717 16.815 10.499 0.51 30.69 H new ATOM 0 HD3AARG B 829 12.772 17.772 10.086 0.49 30.69 H new ATOM 0 HD3BARG B 829 13.414 18.210 10.482 0.51 30.69 H new ATOM 0 HE AARG B 829 14.950 17.311 10.425 0.49 30.87 H new ATOM 0 HE BARG B 829 14.674 15.864 11.106 0.51 30.87 H new ATOM 0 HH11AARG B 829 13.160 14.734 11.536 0.49 29.12 H new ATOM 0 HH11BARG B 829 16.859 15.713 11.071 0.51 29.12 H new ATOM 0 HH12AARG B 829 14.319 13.838 11.809 0.49 29.12 H new ATOM 0 HH12BARG B 829 17.708 16.926 10.909 0.51 29.12 H new ATOM 0 HH21AARG B 829 16.651 15.983 10.840 0.49 28.73 H new ATOM 0 HH21BARG B 829 15.244 19.127 10.670 0.51 28.73 H new ATOM 0 HH22AARG B 829 16.450 14.609 11.381 0.49 28.73 H new ATOM 0 HH22BARG B 829 16.728 19.002 10.667 0.51 28.73 H new ATOM 2593 N VAL B 830 9.388 20.210 13.640 1.00 21.90 N ATOM 2594 CA VAL B 830 8.107 21.007 13.561 1.00 23.91 C ATOM 2595 C VAL B 830 7.175 20.425 12.507 1.00 23.72 C ATOM 2596 O VAL B 830 5.939 20.272 12.686 1.00 21.46 O ATOM 2597 CB VAL B 830 8.418 22.509 13.332 1.00 21.29 C ATOM 2598 CG1 VAL B 830 7.171 23.275 12.980 1.00 23.31 C ATOM 2599 CG2 VAL B 830 9.014 23.126 14.530 1.00 22.71 C ATOM 0 H VAL B 830 10.102 20.681 13.551 1.00 21.90 H new ATOM 0 HA VAL B 830 7.638 20.944 14.408 1.00 23.91 H new ATOM 0 HB VAL B 830 9.050 22.550 12.597 1.00 21.29 H new ATOM 0 HG11 VAL B 830 7.393 24.209 12.842 1.00 23.31 H new ATOM 0 HG12 VAL B 830 6.786 22.911 12.167 1.00 23.31 H new ATOM 0 HG13 VAL B 830 6.529 23.199 13.703 1.00 23.31 H new ATOM 0 HG21 VAL B 830 9.196 24.063 14.355 1.00 22.71 H new ATOM 0 HG22 VAL B 830 8.396 23.051 15.274 1.00 22.71 H new ATOM 0 HG23 VAL B 830 9.842 22.672 14.750 1.00 22.71 H new ATOM 2600 N GLU B 831 7.786 19.962 11.404 1.00 22.08 N ATOM 2601 CA GLU B 831 7.083 19.239 10.399 1.00 22.71 C ATOM 2602 C GLU B 831 6.124 18.188 10.829 1.00 23.49 C ATOM 2603 O GLU B 831 5.059 18.116 10.266 1.00 22.24 O ATOM 2604 CB GLU B 831 8.100 18.615 9.398 1.00 29.74 C ATOM 2605 CG GLU B 831 7.534 17.795 8.288 1.00 35.73 C ATOM 2606 CD GLU B 831 8.650 16.970 7.584 1.00 43.93 C ATOM 2607 OE1 GLU B 831 9.440 16.261 8.257 1.00 45.45 O ATOM 2608 OE2 GLU B 831 8.732 17.099 6.359 1.00 43.49 O ATOM 0 H GLU B 831 8.623 20.071 11.240 1.00 22.08 H new ATOM 0 HA GLU B 831 6.516 19.917 10.000 1.00 22.71 H new ATOM 0 HB2 GLU B 831 8.620 19.335 9.007 1.00 29.74 H new ATOM 0 HB3 GLU B 831 8.717 18.060 9.900 1.00 29.74 H new ATOM 0 HG2 GLU B 831 6.855 17.196 8.637 1.00 35.73 H new ATOM 0 HG3 GLU B 831 7.098 18.374 7.643 1.00 35.73 H new ATOM 2609 N GLY B 832 6.506 17.288 11.761 1.00 22.02 N ATOM 2610 CA GLY B 832 5.631 16.207 12.146 1.00 21.32 C ATOM 2611 C GLY B 832 4.344 16.718 12.885 1.00 19.44 C ATOM 2612 O GLY B 832 3.271 16.185 12.717 1.00 19.11 O ATOM 0 H GLY B 832 7.264 17.301 12.167 1.00 22.02 H new ATOM 0 HA2 GLY B 832 5.371 15.707 11.356 1.00 21.32 H new ATOM 0 HA3 GLY B 832 6.112 15.594 12.724 1.00 21.32 H new ATOM 2613 N PHE B 833 4.501 17.738 13.725 1.00 20.39 N ATOM 2614 CA PHE B 833 3.378 18.384 14.435 1.00 19.10 C ATOM 2615 C PHE B 833 2.454 19.046 13.396 1.00 19.98 C ATOM 2616 O PHE B 833 1.271 18.787 13.388 1.00 21.60 O ATOM 2617 CB PHE B 833 3.906 19.391 15.428 1.00 19.29 C ATOM 2618 CG PHE B 833 2.875 20.312 15.983 1.00 18.03 C ATOM 2619 CD1 PHE B 833 2.061 19.897 16.974 1.00 17.98 C ATOM 2620 CD2 PHE B 833 2.725 21.606 15.473 1.00 19.55 C ATOM 2621 CE1 PHE B 833 1.020 20.727 17.478 1.00 21.59 C ATOM 2622 CE2 PHE B 833 1.767 22.472 16.013 1.00 20.87 C ATOM 2623 CZ PHE B 833 0.937 22.030 17.020 1.00 20.90 C ATOM 0 H PHE B 833 5.267 18.084 13.906 1.00 20.39 H new ATOM 0 HA PHE B 833 2.869 17.725 14.932 1.00 19.10 H new ATOM 0 HB2 PHE B 833 4.326 18.915 16.161 1.00 19.29 H new ATOM 0 HB3 PHE B 833 4.597 19.919 14.999 1.00 19.29 H new ATOM 0 HD1 PHE B 833 2.182 19.049 17.337 1.00 17.98 H new ATOM 0 HD2 PHE B 833 3.264 21.892 14.772 1.00 19.55 H new ATOM 0 HE1 PHE B 833 0.410 20.401 18.100 1.00 21.59 H new ATOM 0 HE2 PHE B 833 1.691 23.342 15.693 1.00 20.87 H new ATOM 0 HZ PHE B 833 0.316 22.612 17.395 1.00 20.90 H new ATOM 2624 N VAL B 834 2.990 19.820 12.502 1.00 20.64 N ATOM 2625 CA VAL B 834 2.153 20.535 11.536 1.00 22.67 C ATOM 2626 C VAL B 834 1.444 19.553 10.644 1.00 24.20 C ATOM 2627 O VAL B 834 0.272 19.745 10.288 1.00 21.21 O ATOM 2628 CB VAL B 834 2.967 21.540 10.730 1.00 22.74 C ATOM 2629 CG1 VAL B 834 2.185 22.151 9.548 1.00 24.70 C ATOM 2630 CG2 VAL B 834 3.530 22.616 11.615 1.00 23.52 C ATOM 0 H VAL B 834 3.835 19.958 12.421 1.00 20.64 H new ATOM 0 HA VAL B 834 1.485 21.042 12.023 1.00 22.67 H new ATOM 0 HB VAL B 834 3.702 21.041 10.341 1.00 22.74 H new ATOM 0 HG11 VAL B 834 2.752 22.780 9.075 1.00 24.70 H new ATOM 0 HG12 VAL B 834 1.910 21.445 8.942 1.00 24.70 H new ATOM 0 HG13 VAL B 834 1.400 22.613 9.883 1.00 24.70 H new ATOM 0 HG21 VAL B 834 4.042 23.241 11.079 1.00 23.52 H new ATOM 0 HG22 VAL B 834 2.804 23.087 12.054 1.00 23.52 H new ATOM 0 HG23 VAL B 834 4.107 22.216 12.284 1.00 23.52 H new ATOM 2631 N GLN B 835 2.106 18.472 10.237 1.00 22.05 N ATOM 2632 CA GLN B 835 1.454 17.496 9.411 1.00 22.51 C ATOM 2633 C GLN B 835 0.256 16.840 10.103 1.00 21.89 C ATOM 2634 O GLN B 835 -0.745 16.617 9.482 1.00 21.09 O ATOM 2635 CB GLN B 835 2.412 16.388 8.934 1.00 25.03 C ATOM 2636 CG GLN B 835 3.346 16.908 7.874 1.00 32.32 C ATOM 2637 CD GLN B 835 4.397 15.893 7.422 1.00 38.06 C ATOM 2638 OE1 GLN B 835 4.573 14.806 8.019 1.00 44.26 O ATOM 2639 NE2 GLN B 835 5.085 16.243 6.332 1.00 49.05 N ATOM 0 H GLN B 835 2.925 18.297 10.432 1.00 22.05 H new ATOM 0 HA GLN B 835 1.139 17.997 8.642 1.00 22.51 H new ATOM 0 HB2 GLN B 835 2.924 16.052 9.686 1.00 25.03 H new ATOM 0 HB3 GLN B 835 1.901 15.642 8.583 1.00 25.03 H new ATOM 0 HG2 GLN B 835 2.825 17.185 7.104 1.00 32.32 H new ATOM 0 HG3 GLN B 835 3.796 17.698 8.211 1.00 32.32 H new ATOM 0 HE21 GLN B 835 4.933 16.999 5.952 1.00 49.05 H new ATOM 0 HE22 GLN B 835 5.680 15.712 6.010 1.00 49.05 H new ATOM 2640 N ASP B 836 0.371 16.506 11.369 1.00 19.55 N ATOM 2641 CA ASP B 836 -0.719 15.883 12.075 1.00 18.97 C ATOM 2642 C ASP B 836 -1.888 16.935 12.225 1.00 17.62 C ATOM 2643 O ASP B 836 -3.020 16.573 12.088 1.00 20.95 O ATOM 2644 CB ASP B 836 -0.286 15.367 13.440 1.00 19.60 C ATOM 2645 CG ASP B 836 0.313 13.935 13.386 1.00 25.20 C ATOM 2646 OD1 ASP B 836 0.318 13.322 12.319 1.00 23.95 O ATOM 2647 OD2 ASP B 836 0.688 13.449 14.462 1.00 22.00 O ATOM 0 H ASP B 836 1.079 16.633 11.841 1.00 19.55 H new ATOM 0 HA ASP B 836 -1.024 15.115 11.568 1.00 18.97 H new ATOM 0 HB2 ASP B 836 0.372 15.973 13.816 1.00 19.60 H new ATOM 0 HB3 ASP B 836 -1.049 15.370 14.038 1.00 19.60 H new ATOM 2648 N MET B 837 -1.576 18.167 12.507 1.00 16.24 N ATOM 2649 CA MET B 837 -2.663 19.174 12.690 1.00 19.05 C ATOM 2650 C MET B 837 -3.420 19.379 11.359 1.00 21.13 C ATOM 2651 O MET B 837 -4.667 19.407 11.320 1.00 22.43 O ATOM 2652 CB MET B 837 -2.085 20.484 13.098 1.00 18.13 C ATOM 2653 CG MET B 837 -1.504 20.502 14.528 1.00 20.29 C ATOM 2654 SD MET B 837 -2.779 20.287 15.770 1.00 19.33 S ATOM 2655 CE MET B 837 -3.476 22.007 15.646 1.00 20.32 C ATOM 0 H MET B 837 -0.775 18.466 12.601 1.00 16.24 H new ATOM 0 HA MET B 837 -3.267 18.848 13.375 1.00 19.05 H new ATOM 0 HB2 MET B 837 -1.384 20.726 12.472 1.00 18.13 H new ATOM 0 HB3 MET B 837 -2.773 21.165 13.031 1.00 18.13 H new ATOM 0 HG2 MET B 837 -0.844 19.797 14.617 1.00 20.29 H new ATOM 0 HG3 MET B 837 -1.044 21.342 14.679 1.00 20.29 H new ATOM 0 HE1 MET B 837 -4.042 22.183 16.414 1.00 20.32 H new ATOM 0 HE2 MET B 837 -2.750 22.650 15.626 1.00 20.32 H new ATOM 0 HE3 MET B 837 -4.000 22.086 14.834 1.00 20.32 H new ATOM 2656 N ARG B 838 -2.670 19.468 10.252 1.00 21.63 N ATOM 2657 CA ARG B 838 -3.307 19.563 8.906 1.00 22.44 C ATOM 2658 C ARG B 838 -4.112 18.373 8.503 1.00 22.54 C ATOM 2659 O ARG B 838 -5.203 18.498 7.896 1.00 22.42 O ATOM 2660 CB ARG B 838 -2.251 19.942 7.848 1.00 26.41 C ATOM 2661 CG ARG B 838 -1.787 21.394 7.977 1.00 25.53 C ATOM 2662 CD ARG B 838 -0.557 21.715 7.110 1.00 25.52 C ATOM 2663 NE ARG B 838 -0.276 23.137 7.091 1.00 25.04 N ATOM 2664 CZ ARG B 838 0.835 23.709 6.605 1.00 28.58 C ATOM 2665 NH1 ARG B 838 1.846 22.994 6.048 1.00 32.64 N ATOM 2666 NH2 ARG B 838 0.960 24.992 6.694 1.00 28.77 N ATOM 0 H ARG B 838 -1.810 19.476 10.246 1.00 21.63 H new ATOM 0 HA ARG B 838 -3.966 20.272 8.968 1.00 22.44 H new ATOM 0 HB2 ARG B 838 -1.486 19.352 7.934 1.00 26.41 H new ATOM 0 HB3 ARG B 838 -2.620 19.801 6.962 1.00 26.41 H new ATOM 0 HG2 ARG B 838 -2.515 21.984 7.726 1.00 25.53 H new ATOM 0 HG3 ARG B 838 -1.578 21.580 8.906 1.00 25.53 H new ATOM 0 HD2 ARG B 838 0.215 21.236 7.451 1.00 25.52 H new ATOM 0 HD3 ARG B 838 -0.708 21.402 6.204 1.00 25.52 H new ATOM 0 HE ARG B 838 -0.874 23.660 7.420 1.00 25.04 H new ATOM 0 HH11 ARG B 838 1.789 22.137 5.996 1.00 32.64 H new ATOM 0 HH12 ARG B 838 2.543 23.398 5.747 1.00 32.64 H new ATOM 0 HH21 ARG B 838 0.338 25.460 7.059 1.00 28.77 H new ATOM 0 HH22 ARG B 838 1.665 25.378 6.388 1.00 28.77 H new ATOM 2667 N LEU B 839 -3.659 17.200 8.916 1.00 22.22 N ATOM 2668 CA LEU B 839 -4.361 15.983 8.663 1.00 22.87 C ATOM 2669 C LEU B 839 -5.754 15.976 9.335 1.00 24.66 C ATOM 2670 O LEU B 839 -6.712 15.393 8.799 1.00 21.15 O ATOM 2671 CB LEU B 839 -3.548 14.810 9.180 1.00 23.23 C ATOM 2672 CG LEU B 839 -4.144 13.415 9.164 1.00 27.00 C ATOM 2673 CD1 LEU B 839 -4.466 12.942 7.738 1.00 29.87 C ATOM 2674 CD2 LEU B 839 -3.173 12.405 9.815 1.00 29.18 C ATOM 0 H LEU B 839 -2.926 17.099 9.355 1.00 22.22 H new ATOM 0 HA LEU B 839 -4.489 15.907 7.704 1.00 22.87 H new ATOM 0 HB2 LEU B 839 -2.726 14.779 8.667 1.00 23.23 H new ATOM 0 HB3 LEU B 839 -3.303 15.010 10.097 1.00 23.23 H new ATOM 0 HG LEU B 839 -4.971 13.458 9.669 1.00 27.00 H new ATOM 0 HD11 LEU B 839 -4.844 12.049 7.771 1.00 29.87 H new ATOM 0 HD12 LEU B 839 -5.105 13.548 7.332 1.00 29.87 H new ATOM 0 HD13 LEU B 839 -3.653 12.929 7.210 1.00 29.87 H new ATOM 0 HD21 LEU B 839 -3.568 11.519 9.797 1.00 29.18 H new ATOM 0 HD22 LEU B 839 -2.337 12.396 9.323 1.00 29.18 H new ATOM 0 HD23 LEU B 839 -3.004 12.665 10.734 1.00 29.18 H new ATOM 2675 N ILE B 840 -5.870 16.584 10.529 1.00 18.84 N ATOM 2676 CA ILE B 840 -7.189 16.640 11.209 1.00 20.23 C ATOM 2677 C ILE B 840 -8.240 17.256 10.204 1.00 18.02 C ATOM 2678 O ILE B 840 -9.348 16.747 10.031 1.00 22.68 O ATOM 2679 CB ILE B 840 -7.068 17.485 12.462 1.00 18.82 C ATOM 2680 CG1 ILE B 840 -6.237 16.709 13.508 1.00 18.97 C ATOM 2681 CG2 ILE B 840 -8.407 17.928 12.976 1.00 22.01 C ATOM 2682 CD1 ILE B 840 -5.969 17.488 14.770 1.00 19.62 C ATOM 0 H ILE B 840 -5.223 16.960 10.953 1.00 18.84 H new ATOM 0 HA ILE B 840 -7.484 15.754 11.470 1.00 20.23 H new ATOM 0 HB ILE B 840 -6.600 18.309 12.254 1.00 18.82 H new ATOM 0 HG12 ILE B 840 -6.703 15.890 13.736 1.00 18.97 H new ATOM 0 HG13 ILE B 840 -5.390 16.452 13.110 1.00 18.97 H new ATOM 0 HG21 ILE B 840 -8.286 18.464 13.775 1.00 22.01 H new ATOM 0 HG22 ILE B 840 -8.855 18.457 12.298 1.00 22.01 H new ATOM 0 HG23 ILE B 840 -8.946 17.150 13.188 1.00 22.01 H new ATOM 0 HD11 ILE B 840 -5.446 16.945 15.380 1.00 19.62 H new ATOM 0 HD12 ILE B 840 -5.478 18.296 14.554 1.00 19.62 H new ATOM 0 HD13 ILE B 840 -6.811 17.725 15.189 1.00 19.62 H new ATOM 2683 N PHE B 841 -7.879 18.380 9.651 1.00 19.54 N ATOM 2684 CA PHE B 841 -8.825 19.188 8.828 1.00 22.11 C ATOM 2685 C PHE B 841 -8.990 18.576 7.461 1.00 25.46 C ATOM 2686 O PHE B 841 -10.098 18.570 6.908 1.00 23.99 O ATOM 2687 CB PHE B 841 -8.417 20.640 8.784 1.00 23.20 C ATOM 2688 CG PHE B 841 -8.127 21.192 10.149 1.00 26.73 C ATOM 2689 CD1 PHE B 841 -9.157 21.305 11.085 1.00 25.43 C ATOM 2690 CD2 PHE B 841 -6.826 21.559 10.511 1.00 24.98 C ATOM 2691 CE1 PHE B 841 -8.884 21.713 12.387 1.00 27.59 C ATOM 2692 CE2 PHE B 841 -6.550 22.017 11.792 1.00 28.24 C ATOM 2693 CZ PHE B 841 -7.595 22.107 12.733 1.00 27.67 C ATOM 0 H PHE B 841 -7.092 18.719 9.723 1.00 19.54 H new ATOM 0 HA PHE B 841 -9.698 19.172 9.250 1.00 22.11 H new ATOM 0 HB2 PHE B 841 -7.630 20.736 8.225 1.00 23.20 H new ATOM 0 HB3 PHE B 841 -9.124 21.160 8.371 1.00 23.20 H new ATOM 0 HD1 PHE B 841 -10.031 21.106 10.837 1.00 25.43 H new ATOM 0 HD2 PHE B 841 -6.139 21.495 9.887 1.00 24.98 H new ATOM 0 HE1 PHE B 841 -9.561 21.722 13.024 1.00 27.59 H new ATOM 0 HE2 PHE B 841 -5.684 22.262 12.027 1.00 28.24 H new ATOM 0 HZ PHE B 841 -7.423 22.431 13.588 1.00 27.67 H new ATOM 2694 N HIS B 842 -7.949 17.874 6.998 1.00 23.72 N ATOM 2695 CA HIS B 842 -8.075 17.082 5.770 1.00 24.30 C ATOM 2696 C HIS B 842 -9.091 16.017 5.861 1.00 23.35 C ATOM 2697 O HIS B 842 -9.950 15.858 4.959 1.00 25.24 O ATOM 2698 CB HIS B 842 -6.682 16.551 5.304 1.00 27.33 C ATOM 2699 CG HIS B 842 -6.784 15.601 4.153 1.00 30.28 C ATOM 2700 ND1 HIS B 842 -6.717 16.027 2.851 1.00 33.66 N ATOM 2701 CD2 HIS B 842 -6.993 14.264 4.104 1.00 36.79 C ATOM 2702 CE1 HIS B 842 -6.882 15.003 2.039 1.00 34.63 C ATOM 2703 NE2 HIS B 842 -7.055 13.918 2.771 1.00 41.25 N ATOM 0 H HIS B 842 -7.176 17.843 7.373 1.00 23.72 H new ATOM 0 HA HIS B 842 -8.406 17.680 5.082 1.00 24.30 H new ATOM 0 HB2 HIS B 842 -6.122 17.301 5.051 1.00 27.33 H new ATOM 0 HB3 HIS B 842 -6.244 16.108 6.047 1.00 27.33 H new ATOM 0 HD2 HIS B 842 -7.078 13.689 4.830 1.00 36.79 H new ATOM 0 HE1 HIS B 842 -6.877 15.038 1.110 1.00 34.63 H new ATOM 0 HE2 HIS B 842 -7.185 13.125 2.466 1.00 41.25 H new ATOM 2704 N ASN B 843 -8.995 15.190 6.892 1.00 20.48 N ATOM 2705 CA ASN B 843 -9.929 14.142 7.103 1.00 22.43 C ATOM 2706 C ASN B 843 -11.386 14.624 7.223 1.00 24.65 C ATOM 2707 O ASN B 843 -12.323 13.961 6.744 1.00 24.45 O ATOM 2708 CB ASN B 843 -9.515 13.363 8.357 1.00 22.63 C ATOM 2709 CG ASN B 843 -8.260 12.509 8.111 1.00 27.29 C ATOM 2710 OD1 ASN B 843 -7.850 12.293 6.940 1.00 24.16 O ATOM 2711 ND2 ASN B 843 -7.699 11.955 9.187 1.00 23.87 N ATOM 0 H ASN B 843 -8.374 15.235 7.485 1.00 20.48 H new ATOM 0 HA ASN B 843 -9.910 13.572 6.319 1.00 22.43 H new ATOM 0 HB2 ASN B 843 -9.346 13.984 9.083 1.00 22.63 H new ATOM 0 HB3 ASN B 843 -10.246 12.790 8.638 1.00 22.63 H new ATOM 0 HD21 ASN B 843 -7.028 11.425 9.097 1.00 23.87 H new ATOM 0 HD22 ASN B 843 -8.009 12.128 9.970 1.00 23.87 H new ATOM 2712 N HIS B 844 -11.567 15.733 7.952 1.00 23.21 N ATOM 2713 CA HIS B 844 -12.905 16.322 8.176 1.00 23.21 C ATOM 2714 C HIS B 844 -13.533 16.683 6.771 1.00 23.81 C ATOM 2715 O HIS B 844 -14.645 16.331 6.514 1.00 22.85 O ATOM 2716 CB HIS B 844 -12.747 17.577 8.979 1.00 25.01 C ATOM 2717 CG HIS B 844 -14.026 18.285 9.236 1.00 25.17 C ATOM 2718 ND1 HIS B 844 -14.883 17.904 10.246 1.00 24.40 N ATOM 2719 CD2 HIS B 844 -14.608 19.337 8.609 1.00 24.05 C ATOM 2720 CE1 HIS B 844 -15.962 18.671 10.223 1.00 26.57 C ATOM 2721 NE2 HIS B 844 -15.819 19.554 9.240 1.00 25.59 N ATOM 0 H HIS B 844 -10.926 16.165 8.329 1.00 23.21 H new ATOM 0 HA HIS B 844 -13.478 15.698 8.648 1.00 23.21 H new ATOM 0 HB2 HIS B 844 -12.331 17.358 9.828 1.00 25.01 H new ATOM 0 HB3 HIS B 844 -12.143 18.176 8.513 1.00 25.01 H new ATOM 0 HD2 HIS B 844 -14.260 19.819 7.894 1.00 24.05 H new ATOM 0 HE1 HIS B 844 -16.692 18.604 10.795 1.00 26.57 H new ATOM 0 HE2 HIS B 844 -16.389 20.163 9.030 1.00 25.59 H new ATOM 2722 N LYS B 845 -12.777 17.351 5.943 1.00 23.70 N ATOM 2723 CA LYS B 845 -13.248 17.746 4.568 1.00 30.71 C ATOM 2724 C LYS B 845 -13.556 16.503 3.755 1.00 30.59 C ATOM 2725 O LYS B 845 -14.521 16.487 3.020 1.00 29.04 O ATOM 2726 CB LYS B 845 -12.206 18.636 3.928 1.00 36.98 C ATOM 2727 CG LYS B 845 -12.507 19.087 2.504 1.00 56.62 C ATOM 2728 CD LYS B 845 -11.372 19.859 1.785 1.00 62.92 C ATOM 2729 CE LYS B 845 -9.938 19.343 2.012 1.00 69.76 C ATOM 2730 NZ LYS B 845 -9.646 17.902 1.697 1.00 71.74 N ATOM 0 H LYS B 845 -11.976 17.604 6.127 1.00 23.70 H new ATOM 0 HA LYS B 845 -14.072 18.255 4.616 1.00 30.71 H new ATOM 0 HB2 LYS B 845 -12.093 19.424 4.482 1.00 36.98 H new ATOM 0 HB3 LYS B 845 -11.358 18.165 3.928 1.00 36.98 H new ATOM 0 HG2 LYS B 845 -12.728 18.304 1.975 1.00 56.62 H new ATOM 0 HG3 LYS B 845 -13.297 19.650 2.521 1.00 56.62 H new ATOM 0 HD2 LYS B 845 -11.552 19.845 0.832 1.00 62.92 H new ATOM 0 HD3 LYS B 845 -11.409 20.786 2.068 1.00 62.92 H new ATOM 0 HE2 LYS B 845 -9.338 19.890 1.481 1.00 69.76 H new ATOM 0 HE3 LYS B 845 -9.712 19.495 2.943 1.00 69.76 H new ATOM 0 HZ1 LYS B 845 -8.816 17.705 1.950 1.00 71.74 H new ATOM 0 HZ2 LYS B 845 -10.220 17.380 2.133 1.00 71.74 H new ATOM 0 HZ3 LYS B 845 -9.729 17.767 0.821 1.00 71.74 H new ATOM 2731 N GLU B 846 -12.780 15.422 3.879 1.00 30.13 N ATOM 2732 CA GLU B 846 -12.994 14.232 3.068 1.00 32.06 C ATOM 2733 C GLU B 846 -14.151 13.424 3.505 1.00 32.57 C ATOM 2734 O GLU B 846 -14.727 12.692 2.693 1.00 30.76 O ATOM 2735 CB GLU B 846 -11.749 13.281 2.986 1.00 34.10 C ATOM 2736 CG GLU B 846 -10.554 13.839 2.264 1.00 37.72 C ATOM 2737 CD GLU B 846 -10.774 14.015 0.774 1.00 44.39 C ATOM 2738 OE1 GLU B 846 -11.339 13.102 0.139 1.00 40.48 O ATOM 2739 OE2 GLU B 846 -10.425 15.102 0.277 1.00 44.04 O ATOM 0 H GLU B 846 -12.123 15.363 4.431 1.00 30.13 H new ATOM 0 HA GLU B 846 -13.167 14.601 2.188 1.00 32.06 H new ATOM 0 HB2 GLU B 846 -11.481 13.046 3.888 1.00 34.10 H new ATOM 0 HB3 GLU B 846 -12.018 12.459 2.547 1.00 34.10 H new ATOM 0 HG2 GLU B 846 -10.322 14.697 2.653 1.00 37.72 H new ATOM 0 HG3 GLU B 846 -9.796 13.250 2.404 1.00 37.72 H new ATOM 2740 N PHE B 847 -14.527 13.520 4.778 1.00 24.96 N ATOM 2741 CA PHE B 847 -15.671 12.837 5.262 1.00 25.94 C ATOM 2742 C PHE B 847 -17.010 13.574 4.981 1.00 25.98 C ATOM 2743 O PHE B 847 -17.983 12.920 4.644 1.00 25.02 O ATOM 2744 CB PHE B 847 -15.589 12.593 6.774 1.00 26.05 C ATOM 2745 CG PHE B 847 -16.647 11.714 7.298 1.00 23.32 C ATOM 2746 CD1 PHE B 847 -16.598 10.365 7.110 1.00 23.36 C ATOM 2747 CD2 PHE B 847 -17.683 12.233 8.068 1.00 25.96 C ATOM 2748 CE1 PHE B 847 -17.572 9.556 7.587 1.00 25.75 C ATOM 2749 CE2 PHE B 847 -18.657 11.422 8.592 1.00 26.09 C ATOM 2750 CZ PHE B 847 -18.614 10.070 8.366 1.00 28.74 C ATOM 0 H PHE B 847 -14.113 13.988 5.369 1.00 24.96 H new ATOM 0 HA PHE B 847 -15.670 11.999 4.774 1.00 25.94 H new ATOM 0 HB2 PHE B 847 -14.725 12.204 6.983 1.00 26.05 H new ATOM 0 HB3 PHE B 847 -15.634 13.446 7.233 1.00 26.05 H new ATOM 0 HD1 PHE B 847 -15.883 9.994 6.646 1.00 23.36 H new ATOM 0 HD2 PHE B 847 -17.716 13.148 8.231 1.00 25.96 H new ATOM 0 HE1 PHE B 847 -17.548 8.646 7.394 1.00 25.75 H new ATOM 0 HE2 PHE B 847 -19.345 11.788 9.099 1.00 26.09 H new ATOM 0 HZ PHE B 847 -19.263 9.507 8.723 1.00 28.74 H new ATOM 2751 N TYR B 848 -17.030 14.851 5.306 1.00 23.96 N ATOM 2752 CA TYR B 848 -18.257 15.654 5.264 1.00 26.70 C ATOM 2753 C TYR B 848 -18.530 16.144 3.827 1.00 30.28 C ATOM 2754 O TYR B 848 -19.693 16.309 3.472 1.00 27.90 O ATOM 2755 CB TYR B 848 -18.258 16.777 6.291 1.00 22.73 C ATOM 2756 CG TYR B 848 -18.467 16.157 7.663 1.00 22.22 C ATOM 2757 CD1 TYR B 848 -19.681 15.602 8.030 1.00 20.76 C ATOM 2758 CD2 TYR B 848 -17.452 16.124 8.593 1.00 25.41 C ATOM 2759 CE1 TYR B 848 -19.895 15.004 9.261 1.00 22.32 C ATOM 2760 CE2 TYR B 848 -17.670 15.549 9.844 1.00 21.93 C ATOM 2761 CZ TYR B 848 -18.861 14.984 10.159 1.00 22.67 C ATOM 2762 OH TYR B 848 -19.078 14.425 11.352 1.00 22.85 O ATOM 0 H TYR B 848 -16.334 15.288 5.560 1.00 23.96 H new ATOM 0 HA TYR B 848 -18.998 15.083 5.520 1.00 26.70 H new ATOM 0 HB2 TYR B 848 -17.419 17.263 6.263 1.00 22.73 H new ATOM 0 HB3 TYR B 848 -18.962 17.415 6.096 1.00 22.73 H new ATOM 0 HD1 TYR B 848 -20.385 15.632 7.423 1.00 20.76 H new ATOM 0 HD2 TYR B 848 -16.620 16.486 8.386 1.00 25.41 H new ATOM 0 HE1 TYR B 848 -20.718 14.626 9.472 1.00 22.32 H new ATOM 0 HE2 TYR B 848 -16.986 15.553 10.474 1.00 21.93 H new ATOM 0 HH TYR B 848 -19.652 13.817 11.276 1.00 22.85 H new ATOM 2763 N ARG B 849 -17.471 16.256 3.026 1.00 33.27 N ATOM 2764 CA ARG B 849 -17.541 16.487 1.572 1.00 34.92 C ATOM 2765 C ARG B 849 -18.451 17.688 1.254 1.00 41.03 C ATOM 2766 O ARG B 849 -18.073 18.829 1.579 1.00 36.62 O ATOM 2767 CB ARG B 849 -17.868 15.206 0.803 1.00 35.63 C ATOM 2768 CG ARG B 849 -16.872 14.075 1.120 1.00 38.78 C ATOM 2769 CD ARG B 849 -16.949 12.852 0.191 1.00 36.98 C ATOM 2770 NE ARG B 849 -16.245 13.144 -1.036 1.00 35.11 N ATOM 2771 CZ ARG B 849 -14.914 13.171 -1.188 1.00 39.53 C ATOM 2772 NH1 ARG B 849 -14.080 12.859 -0.188 1.00 38.64 N ATOM 2773 NH2 ARG B 849 -14.391 13.515 -2.358 1.00 40.03 N ATOM 0 H ARG B 849 -16.664 16.199 3.318 1.00 33.27 H new ATOM 0 HA ARG B 849 -16.661 16.736 1.250 1.00 34.92 H new ATOM 0 HB2 ARG B 849 -18.767 14.917 1.025 1.00 35.63 H new ATOM 0 HB3 ARG B 849 -17.856 15.389 -0.149 1.00 35.63 H new ATOM 0 HG2 ARG B 849 -15.972 14.436 1.081 1.00 38.78 H new ATOM 0 HG3 ARG B 849 -17.020 13.780 2.032 1.00 38.78 H new ATOM 0 HD2 ARG B 849 -16.558 12.077 0.625 1.00 36.98 H new ATOM 0 HD3 ARG B 849 -17.875 12.634 0.002 1.00 36.98 H new ATOM 0 HE ARG B 849 -16.722 13.316 -1.730 1.00 35.11 H new ATOM 0 HH11 ARG B 849 -14.395 12.633 0.580 1.00 38.64 H new ATOM 0 HH12 ARG B 849 -13.230 12.885 -0.313 1.00 38.64 H new ATOM 0 HH21 ARG B 849 -14.906 13.720 -3.016 1.00 40.03 H new ATOM 0 HH22 ARG B 849 -13.537 13.533 -2.459 1.00 40.03 H new ATOM 2774 N GLU B 850 -19.611 17.445 0.642 1.00 41.00 N ATOM 2775 CA AGLU B 850 -20.529 18.523 0.217 0.44 41.25 C ATOM 2776 CA BGLU B 850 -20.514 18.531 0.216 0.56 43.73 C ATOM 2777 C GLU B 850 -21.327 19.155 1.366 1.00 41.45 C ATOM 2778 O GLU B 850 -21.790 20.318 1.253 1.00 41.23 O ATOM 2779 CB AGLU B 850 -21.505 18.014 -0.870 0.44 41.66 C ATOM 2780 CB BGLU B 850 -21.449 18.065 -0.935 0.56 47.49 C ATOM 2781 CG AGLU B 850 -21.150 18.453 -2.277 0.44 42.18 C ATOM 2782 CG BGLU B 850 -22.556 17.069 -0.577 0.56 51.31 C ATOM 2783 CD AGLU B 850 -19.699 18.253 -2.632 0.44 42.40 C ATOM 2784 CD BGLU B 850 -22.073 15.633 -0.477 0.56 55.32 C ATOM 2785 OE1AGLU B 850 -18.969 19.260 -2.739 0.44 44.59 O ATOM 2786 OE1BGLU B 850 -22.392 14.834 -1.382 0.56 60.73 O ATOM 2787 OE2AGLU B 850 -19.282 17.095 -2.826 0.44 44.58 O ATOM 2788 OE2BGLU B 850 -21.364 15.309 0.503 0.56 53.51 O ATOM 0 H AGLU B 850 -19.893 16.654 0.459 0.44 41.00 H new ATOM 0 H BGLU B 850 -19.899 16.655 0.461 0.56 41.00 H new ATOM 0 HA AGLU B 850 -19.958 19.220 -0.142 0.44 43.73 H new ATOM 0 HA BGLU B 850 -19.936 19.236 -0.114 0.56 43.73 H new ATOM 0 HB2AGLU B 850 -21.529 17.045 -0.841 0.44 47.49 H new ATOM 0 HB2BGLU B 850 -21.865 18.851 -1.321 0.56 47.49 H new ATOM 0 HB3AGLU B 850 -22.399 18.327 -0.660 0.44 47.49 H new ATOM 0 HB3BGLU B 850 -20.898 17.667 -1.627 0.56 47.49 H new ATOM 0 HG2AGLU B 850 -21.699 17.961 -2.908 0.44 51.31 H new ATOM 0 HG2BGLU B 850 -22.953 17.328 0.269 0.56 51.31 H new ATOM 0 HG3AGLU B 850 -21.372 19.392 -2.379 0.44 51.31 H new ATOM 0 HG3BGLU B 850 -23.256 17.121 -1.246 0.56 51.31 H new ATOM 2789 N ASP B 851 -21.499 18.401 2.465 1.00 37.18 N ATOM 2790 CA ASP B 851 -22.225 18.906 3.630 1.00 34.90 C ATOM 2791 C ASP B 851 -21.652 20.213 4.108 1.00 32.14 C ATOM 2792 O ASP B 851 -20.438 20.416 4.144 1.00 30.72 O ATOM 2793 CB ASP B 851 -22.248 17.893 4.760 1.00 39.36 C ATOM 2794 CG ASP B 851 -23.323 18.192 5.819 1.00 37.30 C ATOM 2795 OD1 ASP B 851 -23.142 19.129 6.639 1.00 32.65 O ATOM 2796 OD2 ASP B 851 -24.321 17.440 5.867 1.00 36.95 O ATOM 0 H ASP B 851 -21.202 17.598 2.550 1.00 37.18 H new ATOM 0 HA ASP B 851 -23.140 19.059 3.348 1.00 34.90 H new ATOM 0 HB2 ASP B 851 -22.402 17.009 4.391 1.00 39.36 H new ATOM 0 HB3 ASP B 851 -21.377 17.874 5.187 1.00 39.36 H new ATOM 2797 N LYS B 852 -22.524 21.154 4.457 1.00 27.00 N ATOM 2798 CA LYS B 852 -22.048 22.433 4.923 1.00 29.24 C ATOM 2799 C LYS B 852 -21.173 22.354 6.193 1.00 25.76 C ATOM 2800 O LYS B 852 -20.519 23.333 6.534 1.00 28.84 O ATOM 2801 CB LYS B 852 -23.218 23.379 5.186 1.00 31.57 C ATOM 2802 CG LYS B 852 -24.241 22.779 6.155 1.00 32.66 C ATOM 2803 CD LYS B 852 -25.390 23.763 6.412 1.00 39.80 C ATOM 2804 CE LYS B 852 -26.383 23.184 7.429 1.00 41.92 C ATOM 2805 NZ LYS B 852 -27.623 23.983 7.610 1.00 40.77 N ATOM 0 H LYS B 852 -23.379 21.068 4.430 1.00 27.00 H new ATOM 0 HA LYS B 852 -21.485 22.772 4.209 1.00 29.24 H new ATOM 0 HB2 LYS B 852 -22.882 24.213 5.549 1.00 31.57 H new ATOM 0 HB3 LYS B 852 -23.656 23.591 4.347 1.00 31.57 H new ATOM 0 HG2 LYS B 852 -24.593 21.952 5.789 1.00 32.66 H new ATOM 0 HG3 LYS B 852 -23.807 22.556 6.993 1.00 32.66 H new ATOM 0 HD2 LYS B 852 -25.035 24.603 6.742 1.00 39.80 H new ATOM 0 HD3 LYS B 852 -25.849 23.957 5.579 1.00 39.80 H new ATOM 0 HE2 LYS B 852 -26.628 22.288 7.149 1.00 41.92 H new ATOM 0 HE3 LYS B 852 -25.938 23.102 8.287 1.00 41.92 H new ATOM 0 HZ1 LYS B 852 -28.146 23.587 8.211 1.00 40.77 H new ATOM 0 HZ2 LYS B 852 -27.411 24.800 7.894 1.00 40.77 H new ATOM 0 HZ3 LYS B 852 -28.055 24.041 6.834 1.00 40.77 H new ATOM 2806 N PHE B 853 -21.279 21.245 6.907 1.00 26.36 N ATOM 2807 CA PHE B 853 -20.466 21.019 8.161 1.00 25.66 C ATOM 2808 C PHE B 853 -18.935 21.039 7.841 1.00 28.10 C ATOM 2809 O PHE B 853 -18.097 21.354 8.714 1.00 25.15 O ATOM 2810 CB PHE B 853 -20.949 19.731 8.836 1.00 23.58 C ATOM 2811 CG PHE B 853 -20.402 19.522 10.272 1.00 22.31 C ATOM 2812 CD1 PHE B 853 -20.613 20.479 11.254 1.00 26.08 C ATOM 2813 CD2 PHE B 853 -19.605 18.432 10.573 1.00 23.67 C ATOM 2814 CE1 PHE B 853 -20.105 20.290 12.545 1.00 26.82 C ATOM 2815 CE2 PHE B 853 -19.111 18.220 11.884 1.00 25.76 C ATOM 2816 CZ PHE B 853 -19.320 19.181 12.846 1.00 27.23 C ATOM 0 H PHE B 853 -21.807 20.596 6.707 1.00 26.36 H new ATOM 0 HA PHE B 853 -20.600 21.742 8.794 1.00 25.66 H new ATOM 0 HB2 PHE B 853 -21.918 19.739 8.868 1.00 23.58 H new ATOM 0 HB3 PHE B 853 -20.689 18.974 8.288 1.00 23.58 H new ATOM 0 HD1 PHE B 853 -21.094 21.249 11.054 1.00 26.08 H new ATOM 0 HD2 PHE B 853 -19.389 17.826 9.901 1.00 23.67 H new ATOM 0 HE1 PHE B 853 -20.294 20.913 13.209 1.00 26.82 H new ATOM 0 HE2 PHE B 853 -18.650 17.439 12.092 1.00 25.76 H new ATOM 0 HZ PHE B 853 -18.940 19.090 13.690 1.00 27.23 H new ATOM 2817 N THR B 854 -18.580 20.814 6.559 1.00 26.81 N ATOM 2818 CA ATHR B 854 -17.172 21.002 6.025 0.45 27.55 C ATOM 2819 CA BTHR B 854 -17.180 20.957 6.124 0.55 27.89 C ATOM 2820 C THR B 854 -16.590 22.320 6.464 1.00 26.63 C ATOM 2821 O THR B 854 -15.400 22.438 6.751 1.00 24.02 O ATOM 2822 CB ATHR B 854 -17.076 20.969 4.447 0.45 28.92 C ATOM 2823 CB BTHR B 854 -17.079 20.659 4.618 0.55 28.05 C ATOM 2824 OG1ATHR B 854 -15.767 20.602 3.993 0.45 26.67 O ATOM 2825 OG1BTHR B 854 -18.072 21.433 3.922 0.55 39.17 O ATOM 2826 CG2ATHR B 854 -17.367 22.358 3.805 0.45 29.42 C ATOM 2827 CG2BTHR B 854 -17.340 19.252 4.384 0.55 22.80 C ATOM 0 H ATHR B 854 -19.138 20.547 5.961 0.45 26.81 H new ATOM 0 H BTHR B 854 -19.128 20.582 5.938 0.55 26.81 H new ATOM 0 HA ATHR B 854 -16.678 20.251 6.390 0.45 27.89 H new ATOM 0 HA BTHR B 854 -16.648 20.312 6.616 0.55 27.89 H new ATOM 0 HB ATHR B 854 -17.740 20.314 4.179 0.45 28.05 H new ATOM 0 HB BTHR B 854 -16.191 20.886 4.301 0.55 28.05 H new ATOM 0 HG1ATHR B 854 -15.754 20.594 3.153 0.45 39.17 H new ATOM 0 HG1BTHR B 854 -18.795 21.006 3.899 0.55 39.17 H new ATOM 0 HG21ATHR B 854 -17.297 22.290 2.840 0.45 22.80 H new ATOM 0 HG21BTHR B 854 -17.276 19.064 3.434 0.55 22.80 H new ATOM 0 HG22ATHR B 854 -18.262 22.644 4.044 0.45 22.80 H new ATOM 0 HG22BTHR B 854 -16.688 18.718 4.863 0.55 22.80 H new ATOM 0 HG23ATHR B 854 -16.723 23.006 4.130 0.45 22.80 H new ATOM 0 HG23BTHR B 854 -18.231 19.031 4.698 0.55 22.80 H new ATOM 2828 N ARG B 855 -17.434 23.366 6.493 1.00 23.53 N ATOM 2829 CA ARG B 855 -16.972 24.647 6.774 1.00 23.51 C ATOM 2830 C ARG B 855 -16.351 24.759 8.175 1.00 23.09 C ATOM 2831 O ARG B 855 -15.543 25.636 8.354 1.00 23.83 O ATOM 2832 CB ARG B 855 -18.082 25.683 6.539 1.00 28.23 C ATOM 2833 CG ARG B 855 -17.831 27.094 6.969 1.00 33.82 C ATOM 2834 CD ARG B 855 -19.058 27.948 6.530 1.00 40.43 C ATOM 2835 NE ARG B 855 -18.929 29.371 6.836 1.00 49.87 N ATOM 2836 CZ ARG B 855 -19.435 30.030 7.898 1.00 52.63 C ATOM 2837 NH1 ARG B 855 -20.196 29.438 8.858 1.00 45.12 N ATOM 2838 NH2 ARG B 855 -19.206 31.347 7.975 1.00 50.27 N ATOM 0 H ARG B 855 -18.280 23.312 6.346 1.00 23.53 H new ATOM 0 HA ARG B 855 -16.250 24.840 6.156 1.00 23.51 H new ATOM 0 HB2 ARG B 855 -18.282 25.693 5.590 1.00 28.23 H new ATOM 0 HB3 ARG B 855 -18.880 25.371 6.994 1.00 28.23 H new ATOM 0 HG2 ARG B 855 -17.710 27.141 7.930 1.00 33.82 H new ATOM 0 HG3 ARG B 855 -17.018 27.434 6.564 1.00 33.82 H new ATOM 0 HD2 ARG B 855 -19.189 27.842 5.575 1.00 40.43 H new ATOM 0 HD3 ARG B 855 -19.853 27.603 6.966 1.00 40.43 H new ATOM 0 HE ARG B 855 -18.479 29.842 6.275 1.00 49.87 H new ATOM 0 HH11 ARG B 855 -20.378 28.599 8.806 1.00 45.12 H new ATOM 0 HH12 ARG B 855 -20.495 29.903 9.517 1.00 45.12 H new ATOM 0 HH21 ARG B 855 -18.751 31.741 7.361 1.00 50.27 H new ATOM 0 HH22 ARG B 855 -19.514 31.799 8.639 1.00 50.27 H new ATOM 2839 N LEU B 856 -16.763 23.935 9.131 1.00 20.94 N ATOM 2840 CA LEU B 856 -16.162 24.003 10.504 1.00 25.73 C ATOM 2841 C LEU B 856 -14.641 23.676 10.432 1.00 22.79 C ATOM 2842 O LEU B 856 -13.814 24.363 11.054 1.00 25.71 O ATOM 2843 CB LEU B 856 -16.845 23.029 11.472 1.00 25.56 C ATOM 2844 CG LEU B 856 -18.048 23.505 12.288 1.00 30.35 C ATOM 2845 CD1 LEU B 856 -17.652 24.742 13.129 1.00 30.72 C ATOM 2846 CD2 LEU B 856 -19.196 23.833 11.354 1.00 32.87 C ATOM 0 H LEU B 856 -17.373 23.337 9.030 1.00 20.94 H new ATOM 0 HA LEU B 856 -16.294 24.904 10.838 1.00 25.73 H new ATOM 0 HB2 LEU B 856 -17.129 22.257 10.957 1.00 25.56 H new ATOM 0 HB3 LEU B 856 -16.172 22.720 12.098 1.00 25.56 H new ATOM 0 HG LEU B 856 -18.332 22.802 12.893 1.00 30.35 H new ATOM 0 HD11 LEU B 856 -18.417 25.041 13.645 1.00 30.72 H new ATOM 0 HD12 LEU B 856 -16.929 24.506 13.731 1.00 30.72 H new ATOM 0 HD13 LEU B 856 -17.362 25.455 12.539 1.00 30.72 H new ATOM 0 HD21 LEU B 856 -19.959 24.135 11.872 1.00 32.87 H new ATOM 0 HD22 LEU B 856 -18.924 24.534 10.741 1.00 32.87 H new ATOM 0 HD23 LEU B 856 -19.441 23.041 10.851 1.00 32.87 H new ATOM 2847 N GLY B 857 -14.316 22.738 9.562 1.00 26.11 N ATOM 2848 CA GLY B 857 -12.886 22.321 9.271 1.00 24.45 C ATOM 2849 C GLY B 857 -12.074 23.465 8.699 1.00 25.66 C ATOM 2850 O GLY B 857 -10.987 23.781 9.173 1.00 26.02 O ATOM 0 H GLY B 857 -14.900 22.303 9.104 1.00 26.11 H new ATOM 0 HA2 GLY B 857 -12.469 22.004 10.087 1.00 24.45 H new ATOM 0 HA3 GLY B 857 -12.886 21.579 8.646 1.00 24.45 H new ATOM 2851 N ILE B 858 -12.660 24.182 7.711 1.00 24.47 N ATOM 2852 CA ILE B 858 -12.028 25.300 7.101 1.00 24.85 C ATOM 2853 C ILE B 858 -11.804 26.383 8.120 1.00 26.04 C ATOM 2854 O ILE B 858 -10.766 27.048 8.144 1.00 25.71 O ATOM 2855 CB ILE B 858 -12.923 25.840 5.883 1.00 28.72 C ATOM 2856 CG1 ILE B 858 -12.947 24.811 4.763 1.00 33.89 C ATOM 2857 CG2 ILE B 858 -12.362 27.143 5.349 1.00 29.82 C ATOM 2858 CD1 ILE B 858 -14.059 24.996 3.738 1.00 40.98 C ATOM 0 H ILE B 858 -13.441 24.007 7.396 1.00 24.47 H new ATOM 0 HA ILE B 858 -11.166 25.027 6.750 1.00 24.85 H new ATOM 0 HB ILE B 858 -13.824 25.991 6.209 1.00 28.72 H new ATOM 0 HG12 ILE B 858 -12.094 24.836 4.302 1.00 33.89 H new ATOM 0 HG13 ILE B 858 -13.032 23.928 5.156 1.00 33.89 H new ATOM 0 HG21 ILE B 858 -12.913 27.456 4.615 1.00 29.82 H new ATOM 0 HG22 ILE B 858 -12.358 27.808 6.056 1.00 29.82 H new ATOM 0 HG23 ILE B 858 -11.455 27.001 5.035 1.00 29.82 H new ATOM 0 HD11 ILE B 858 -13.998 24.300 3.065 1.00 40.98 H new ATOM 0 HD12 ILE B 858 -14.920 24.942 4.181 1.00 40.98 H new ATOM 0 HD13 ILE B 858 -13.968 25.864 3.314 1.00 40.98 H new ATOM 2859 N GLN B 859 -12.834 26.633 8.960 1.00 26.96 N ATOM 2860 CA GLN B 859 -12.708 27.694 9.961 1.00 24.64 C ATOM 2861 C GLN B 859 -11.587 27.456 11.043 1.00 22.21 C ATOM 2862 O GLN B 859 -10.831 28.351 11.426 1.00 21.11 O ATOM 2863 CB GLN B 859 -14.043 27.823 10.674 1.00 26.26 C ATOM 2864 CG GLN B 859 -15.082 28.512 9.751 1.00 30.19 C ATOM 2865 CD GLN B 859 -16.434 28.636 10.423 1.00 33.32 C ATOM 2866 OE1 GLN B 859 -16.942 27.680 10.985 1.00 33.17 O ATOM 2867 NE2 GLN B 859 -17.023 29.809 10.348 1.00 38.27 N ATOM 0 H GLN B 859 -13.584 26.212 8.961 1.00 26.96 H new ATOM 0 HA GLN B 859 -12.450 28.497 9.482 1.00 24.64 H new ATOM 0 HB2 GLN B 859 -14.364 26.945 10.934 1.00 26.26 H new ATOM 0 HB3 GLN B 859 -13.933 28.338 11.489 1.00 26.26 H new ATOM 0 HG2 GLN B 859 -14.761 29.393 9.504 1.00 30.19 H new ATOM 0 HG3 GLN B 859 -15.174 28.003 8.930 1.00 30.19 H new ATOM 0 HE21 GLN B 859 -16.634 30.460 9.943 1.00 38.27 H new ATOM 0 HE22 GLN B 859 -17.797 29.925 10.704 1.00 38.27 H new ATOM 2868 N VAL B 860 -11.584 26.257 11.568 1.00 22.02 N ATOM 2869 CA VAL B 860 -10.614 25.941 12.582 1.00 22.76 C ATOM 2870 C VAL B 860 -9.216 25.879 11.932 1.00 22.16 C ATOM 2871 O VAL B 860 -8.265 26.313 12.548 1.00 21.82 O ATOM 2872 CB VAL B 860 -11.017 24.695 13.375 1.00 23.43 C ATOM 2873 CG1 VAL B 860 -9.944 24.317 14.425 1.00 22.74 C ATOM 2874 CG2 VAL B 860 -12.367 24.937 14.102 1.00 22.07 C ATOM 0 H VAL B 860 -12.123 25.621 11.358 1.00 22.02 H new ATOM 0 HA VAL B 860 -10.579 26.641 13.253 1.00 22.76 H new ATOM 0 HB VAL B 860 -11.104 23.965 12.742 1.00 23.43 H new ATOM 0 HG11 VAL B 860 -10.229 23.526 14.909 1.00 22.74 H new ATOM 0 HG12 VAL B 860 -9.103 24.136 13.977 1.00 22.74 H new ATOM 0 HG13 VAL B 860 -9.827 25.052 15.048 1.00 22.74 H new ATOM 0 HG21 VAL B 860 -12.613 24.142 14.601 1.00 22.07 H new ATOM 0 HG22 VAL B 860 -12.277 25.686 14.712 1.00 22.07 H new ATOM 0 HG23 VAL B 860 -13.056 25.134 13.448 1.00 22.07 H new ATOM 2875 N GLN B 861 -9.105 25.310 10.727 1.00 22.34 N ATOM 2876 CA GLN B 861 -7.770 25.318 10.006 1.00 24.05 C ATOM 2877 C GLN B 861 -7.249 26.736 9.843 1.00 25.02 C ATOM 2878 O GLN B 861 -6.053 27.056 10.013 1.00 23.53 O ATOM 2879 CB GLN B 861 -7.792 24.557 8.705 1.00 26.38 C ATOM 2880 CG GLN B 861 -6.348 24.514 8.139 1.00 30.53 C ATOM 2881 CD GLN B 861 -6.088 23.492 7.050 1.00 32.96 C ATOM 2882 OE1 GLN B 861 -6.998 22.838 6.551 1.00 35.90 O ATOM 2883 NE2 GLN B 861 -4.791 23.364 6.665 1.00 37.25 N ATOM 0 H GLN B 861 -9.747 24.924 10.305 1.00 22.34 H new ATOM 0 HA GLN B 861 -7.143 24.837 10.569 1.00 24.05 H new ATOM 0 HB2 GLN B 861 -8.126 23.657 8.846 1.00 26.38 H new ATOM 0 HB3 GLN B 861 -8.390 24.986 8.073 1.00 26.38 H new ATOM 0 HG2 GLN B 861 -6.130 25.393 7.791 1.00 30.53 H new ATOM 0 HG3 GLN B 861 -5.738 24.340 8.873 1.00 30.53 H new ATOM 0 HE21 GLN B 861 -4.182 23.842 7.040 1.00 37.25 H new ATOM 0 HE22 GLN B 861 -4.579 22.806 6.046 1.00 37.25 H new ATOM 2884 N ASP B 862 -8.156 27.677 9.552 1.00 27.60 N ATOM 2885 CA AASP B 862 -7.706 29.039 9.412 0.50 25.90 C ATOM 2886 CA BASP B 862 -7.726 29.067 9.431 0.50 26.22 C ATOM 2887 C ASP B 862 -7.152 29.623 10.701 1.00 23.96 C ATOM 2888 O ASP B 862 -6.197 30.397 10.685 1.00 24.57 O ATOM 2889 CB AASP B 862 -8.790 29.883 8.774 0.50 30.18 C ATOM 2890 CB BASP B 862 -8.844 29.985 8.991 0.50 31.32 C ATOM 2891 CG AASP B 862 -8.629 29.959 7.260 0.50 31.57 C ATOM 2892 CG BASP B 862 -8.327 31.381 8.643 0.50 33.41 C ATOM 2893 OD1AASP B 862 -8.755 28.932 6.560 0.50 30.33 O ATOM 2894 OD1BASP B 862 -7.276 31.482 7.963 0.50 37.98 O ATOM 2895 OD2AASP B 862 -8.318 31.067 6.801 0.50 43.53 O ATOM 2896 OD2BASP B 862 -8.941 32.371 9.066 0.50 39.51 O ATOM 0 H AASP B 862 -8.998 27.544 9.438 0.50 27.60 H new ATOM 0 H BASP B 862 -8.995 27.535 9.426 0.50 27.60 H new ATOM 0 HA AASP B 862 -6.945 29.043 8.811 0.50 26.22 H new ATOM 0 HA BASP B 862 -7.033 29.040 8.752 0.50 26.22 H new ATOM 0 HB2AASP B 862 -9.659 29.510 8.989 0.50 31.32 H new ATOM 0 HB2BASP B 862 -9.291 29.604 8.219 0.50 31.32 H new ATOM 0 HB3AASP B 862 -8.765 30.778 9.147 0.50 31.32 H new ATOM 0 HB3BASP B 862 -9.505 30.052 9.698 0.50 31.32 H new ATOM 2897 N ILE B 863 -7.735 29.245 11.843 1.00 23.33 N ATOM 2898 CA ILE B 863 -7.205 29.683 13.128 1.00 23.34 C ATOM 2899 C ILE B 863 -5.792 29.040 13.283 1.00 21.50 C ATOM 2900 O ILE B 863 -4.828 29.708 13.643 1.00 22.27 O ATOM 2901 CB ILE B 863 -8.147 29.197 14.238 1.00 26.09 C ATOM 2902 CG1 ILE B 863 -9.555 29.891 14.142 1.00 32.05 C ATOM 2903 CG2 ILE B 863 -7.524 29.277 15.607 1.00 24.77 C ATOM 2904 CD1 ILE B 863 -9.424 31.339 14.437 1.00 34.22 C ATOM 0 H ILE B 863 -8.430 28.741 11.891 1.00 23.33 H new ATOM 0 HA ILE B 863 -7.138 30.649 13.184 1.00 23.34 H new ATOM 0 HB ILE B 863 -8.301 28.250 14.093 1.00 26.09 H new ATOM 0 HG12 ILE B 863 -9.927 29.766 13.255 1.00 32.05 H new ATOM 0 HG13 ILE B 863 -10.171 29.479 14.768 1.00 32.05 H new ATOM 0 HG21 ILE B 863 -8.157 28.960 16.270 1.00 24.77 H new ATOM 0 HG22 ILE B 863 -6.726 28.726 15.633 1.00 24.77 H new ATOM 0 HG23 ILE B 863 -7.287 30.197 15.801 1.00 24.77 H new ATOM 0 HD11 ILE B 863 -10.295 31.762 14.376 1.00 34.22 H new ATOM 0 HD12 ILE B 863 -9.070 31.456 15.332 1.00 34.22 H new ATOM 0 HD13 ILE B 863 -8.822 31.747 13.795 1.00 34.22 H new ATOM 2905 N PHE B 864 -5.716 27.755 12.995 1.00 20.22 N ATOM 2906 CA PHE B 864 -4.355 27.077 13.074 1.00 21.52 C ATOM 2907 C PHE B 864 -3.302 27.821 12.222 1.00 22.81 C ATOM 2908 O PHE B 864 -2.262 28.227 12.692 1.00 24.27 O ATOM 2909 CB PHE B 864 -4.479 25.676 12.621 1.00 21.80 C ATOM 2910 CG PHE B 864 -3.140 24.993 12.505 1.00 24.47 C ATOM 2911 CD1 PHE B 864 -2.360 24.779 13.653 1.00 23.74 C ATOM 2912 CD2 PHE B 864 -2.598 24.742 11.247 1.00 24.47 C ATOM 2913 CE1 PHE B 864 -1.103 24.164 13.510 1.00 22.10 C ATOM 2914 CE2 PHE B 864 -1.380 24.116 11.113 1.00 26.35 C ATOM 2915 CZ PHE B 864 -0.617 23.865 12.236 1.00 23.20 C ATOM 0 H PHE B 864 -6.374 27.253 12.762 1.00 20.22 H new ATOM 0 HA PHE B 864 -4.055 27.099 13.996 1.00 21.52 H new ATOM 0 HB2 PHE B 864 -5.038 25.185 13.244 1.00 21.80 H new ATOM 0 HB3 PHE B 864 -4.927 25.655 11.761 1.00 21.80 H new ATOM 0 HD1 PHE B 864 -2.668 25.039 14.491 1.00 23.74 H new ATOM 0 HD2 PHE B 864 -3.066 25.001 10.486 1.00 24.47 H new ATOM 0 HE1 PHE B 864 -0.597 23.957 14.262 1.00 22.10 H new ATOM 0 HE2 PHE B 864 -1.073 23.864 10.272 1.00 26.35 H new ATOM 0 HZ PHE B 864 0.230 23.493 12.143 1.00 23.20 H new ATOM 2916 N GLU B 865 -3.643 28.073 10.945 1.00 24.50 N ATOM 2917 CA GLU B 865 -2.652 28.617 10.000 1.00 23.93 C ATOM 2918 C GLU B 865 -2.246 30.048 10.320 1.00 26.88 C ATOM 2919 O GLU B 865 -1.099 30.391 10.225 1.00 24.52 O ATOM 2920 CB GLU B 865 -3.157 28.515 8.547 1.00 24.60 C ATOM 2921 CG GLU B 865 -3.401 27.140 7.987 1.00 29.00 C ATOM 2922 CD GLU B 865 -2.130 26.258 7.788 1.00 30.45 C ATOM 2923 OE1 GLU B 865 -1.004 26.782 7.880 1.00 30.07 O ATOM 2924 OE2 GLU B 865 -2.290 25.055 7.538 1.00 27.20 O ATOM 0 H GLU B 865 -4.425 27.939 10.614 1.00 24.50 H new ATOM 0 HA GLU B 865 -1.857 28.070 10.098 1.00 23.93 H new ATOM 0 HB2 GLU B 865 -3.986 29.015 8.483 1.00 24.60 H new ATOM 0 HB3 GLU B 865 -2.513 28.960 7.975 1.00 24.60 H new ATOM 0 HG2 GLU B 865 -4.011 26.671 8.578 1.00 29.00 H new ATOM 0 HG3 GLU B 865 -3.849 27.231 7.131 1.00 29.00 H new ATOM 2925 N LYS B 866 -3.174 30.899 10.773 1.00 27.73 N ATOM 2926 CA LYS B 866 -2.799 32.259 11.145 1.00 29.60 C ATOM 2927 C LYS B 866 -1.930 32.253 12.379 1.00 24.68 C ATOM 2928 O LYS B 866 -0.983 33.018 12.462 1.00 24.32 O ATOM 2929 CB LYS B 866 -4.041 33.121 11.492 1.00 37.35 C ATOM 2930 CG LYS B 866 -5.008 33.392 10.363 1.00 48.29 C ATOM 2931 CD LYS B 866 -6.322 33.989 10.920 1.00 56.57 C ATOM 2932 CE LYS B 866 -6.897 35.098 10.057 1.00 56.58 C ATOM 2933 NZ LYS B 866 -7.530 34.568 8.836 1.00 58.55 N ATOM 0 H LYS B 866 -4.007 30.710 10.869 1.00 27.73 H new ATOM 0 HA LYS B 866 -2.330 32.629 10.380 1.00 29.60 H new ATOM 0 HB2 LYS B 866 -4.525 32.682 12.208 1.00 37.35 H new ATOM 0 HB3 LYS B 866 -3.733 33.973 11.839 1.00 37.35 H new ATOM 0 HG2 LYS B 866 -4.609 34.006 9.727 1.00 48.29 H new ATOM 0 HG3 LYS B 866 -5.196 32.570 9.884 1.00 48.29 H new ATOM 0 HD2 LYS B 866 -6.980 33.281 11.005 1.00 56.57 H new ATOM 0 HD3 LYS B 866 -6.160 34.334 11.812 1.00 56.57 H new ATOM 0 HE2 LYS B 866 -7.551 35.600 10.568 1.00 56.58 H new ATOM 0 HE3 LYS B 866 -6.191 35.717 9.813 1.00 56.58 H new ATOM 0 HZ1 LYS B 866 -7.906 35.235 8.383 1.00 58.55 H new ATOM 0 HZ2 LYS B 866 -6.913 34.176 8.328 1.00 58.55 H new ATOM 0 HZ3 LYS B 866 -8.153 33.973 9.059 1.00 58.55 H new ATOM 2934 N ASN B 867 -2.218 31.379 13.345 1.00 23.82 N ATOM 2935 CA ASN B 867 -1.344 31.348 14.549 1.00 23.50 C ATOM 2936 C ASN B 867 0.050 30.756 14.205 1.00 20.01 C ATOM 2937 O ASN B 867 1.038 31.163 14.750 1.00 24.54 O ATOM 2938 CB ASN B 867 -2.057 30.590 15.704 1.00 23.02 C ATOM 2939 CG ASN B 867 -3.104 31.488 16.413 1.00 23.62 C ATOM 2940 OD1 ASN B 867 -2.717 32.387 17.131 1.00 27.16 O ATOM 2941 ND2 ASN B 867 -4.359 31.323 16.094 1.00 25.40 N ATOM 0 H ASN B 867 -2.873 30.821 13.339 1.00 23.82 H new ATOM 0 HA ASN B 867 -1.185 32.254 14.856 1.00 23.50 H new ATOM 0 HB2 ASN B 867 -2.493 29.798 15.352 1.00 23.02 H new ATOM 0 HB3 ASN B 867 -1.399 30.288 16.349 1.00 23.02 H new ATOM 0 HD21 ASN B 867 -4.954 31.865 16.396 1.00 25.40 H new ATOM 0 HD22 ASN B 867 -4.590 30.672 15.582 1.00 25.40 H new ATOM 2942 N PHE B 868 0.087 29.816 13.277 1.00 21.90 N ATOM 2943 CA PHE B 868 1.360 29.222 12.847 1.00 21.80 C ATOM 2944 C PHE B 868 2.275 30.299 12.268 1.00 23.96 C ATOM 2945 O PHE B 868 3.380 30.434 12.660 1.00 22.08 O ATOM 2946 CB PHE B 868 1.066 28.159 11.830 1.00 22.99 C ATOM 2947 CG PHE B 868 2.282 27.475 11.234 1.00 26.86 C ATOM 2948 CD1 PHE B 868 3.349 26.994 12.050 1.00 25.91 C ATOM 2949 CD2 PHE B 868 2.367 27.302 9.847 1.00 30.50 C ATOM 2950 CE1 PHE B 868 4.459 26.386 11.472 1.00 27.45 C ATOM 2951 CE2 PHE B 868 3.507 26.708 9.277 1.00 34.25 C ATOM 2952 CZ PHE B 868 4.536 26.235 10.097 1.00 28.87 C ATOM 0 H PHE B 868 -0.608 29.502 12.879 1.00 21.90 H new ATOM 0 HA PHE B 868 1.819 28.825 13.604 1.00 21.80 H new ATOM 0 HB2 PHE B 868 0.504 27.485 12.243 1.00 22.99 H new ATOM 0 HB3 PHE B 868 0.551 28.555 11.110 1.00 22.99 H new ATOM 0 HD1 PHE B 868 3.302 27.087 12.974 1.00 25.91 H new ATOM 0 HD2 PHE B 868 1.667 27.581 9.301 1.00 30.50 H new ATOM 0 HE1 PHE B 868 5.152 26.080 12.011 1.00 27.45 H new ATOM 0 HE2 PHE B 868 3.577 26.630 8.353 1.00 34.25 H new ATOM 0 HZ PHE B 868 5.275 25.817 9.718 1.00 28.87 H new ATOM 2953 N ARG B 869 1.759 31.082 11.324 1.00 24.61 N ATOM 2954 CA ARG B 869 2.552 32.196 10.759 1.00 25.17 C ATOM 2955 C ARG B 869 2.954 33.214 11.793 1.00 28.82 C ATOM 2956 O ARG B 869 4.073 33.703 11.780 1.00 30.90 O ATOM 2957 CB ARG B 869 1.818 32.819 9.548 1.00 28.10 C ATOM 2958 CG ARG B 869 1.595 31.837 8.432 1.00 29.34 C ATOM 2959 CD ARG B 869 1.003 32.512 7.181 1.00 35.51 C ATOM 2960 NE ARG B 869 -0.290 33.170 7.449 1.00 36.54 N ATOM 2961 CZ ARG B 869 -1.494 32.618 7.248 1.00 40.56 C ATOM 2962 NH1 ARG B 869 -1.632 31.387 6.755 1.00 38.93 N ATOM 2963 NH2 ARG B 869 -2.599 33.317 7.533 1.00 43.16 N ATOM 0 H ARG B 869 0.969 30.996 10.996 1.00 24.61 H new ATOM 0 HA ARG B 869 3.390 31.829 10.437 1.00 25.17 H new ATOM 0 HB2 ARG B 869 0.962 33.170 9.840 1.00 28.10 H new ATOM 0 HB3 ARG B 869 2.334 33.570 9.214 1.00 28.10 H new ATOM 0 HG2 ARG B 869 2.437 31.413 8.202 1.00 29.34 H new ATOM 0 HG3 ARG B 869 0.997 31.136 8.734 1.00 29.34 H new ATOM 0 HD2 ARG B 869 1.632 33.169 6.844 1.00 35.51 H new ATOM 0 HD3 ARG B 869 0.886 31.847 6.484 1.00 35.51 H new ATOM 0 HE ARG B 869 -0.269 33.972 7.759 1.00 36.54 H new ATOM 0 HH11 ARG B 869 -0.936 30.923 6.556 1.00 38.93 H new ATOM 0 HH12 ARG B 869 -2.417 31.057 6.636 1.00 38.93 H new ATOM 0 HH21 ARG B 869 -2.534 34.116 7.843 1.00 43.16 H new ATOM 0 HH22 ARG B 869 -3.374 32.967 7.406 1.00 43.16 H new ATOM 2964 N ASN B 870 2.059 33.561 12.718 1.00 29.29 N ATOM 2965 CA ASN B 870 2.411 34.561 13.700 1.00 31.16 C ATOM 2966 C ASN B 870 3.466 34.072 14.676 1.00 33.47 C ATOM 2967 O ASN B 870 4.412 34.762 14.995 1.00 31.15 O ATOM 2968 CB ASN B 870 1.176 34.930 14.474 1.00 33.65 C ATOM 2969 CG ASN B 870 1.442 35.965 15.498 1.00 44.05 C ATOM 2970 OD1 ASN B 870 1.340 35.704 16.700 1.00 54.94 O ATOM 2971 ND2 ASN B 870 1.850 37.134 15.053 1.00 48.93 N ATOM 0 H ASN B 870 1.266 33.235 12.788 1.00 29.29 H new ATOM 0 HA ASN B 870 2.778 35.323 13.226 1.00 31.16 H new ATOM 0 HB2 ASN B 870 0.497 35.252 13.861 1.00 33.65 H new ATOM 0 HB3 ASN B 870 0.818 34.138 14.904 1.00 33.65 H new ATOM 0 HD21 ASN B 870 2.059 37.756 15.608 1.00 48.93 H new ATOM 0 HD22 ASN B 870 1.907 37.276 14.207 1.00 48.93 H new ATOM 2972 N ILE B 871 3.260 32.875 15.191 1.00 29.02 N ATOM 2973 CA ILE B 871 4.186 32.316 16.219 1.00 28.56 C ATOM 2974 C ILE B 871 5.602 32.097 15.665 1.00 27.56 C ATOM 2975 O ILE B 871 6.584 32.399 16.354 1.00 30.46 O ATOM 2976 CB ILE B 871 3.597 31.028 16.818 1.00 29.83 C ATOM 2977 CG1 ILE B 871 2.421 31.413 17.668 1.00 29.86 C ATOM 2978 CG2 ILE B 871 4.636 30.279 17.687 1.00 33.54 C ATOM 2979 CD1 ILE B 871 1.476 30.270 18.012 1.00 29.69 C ATOM 0 H ILE B 871 2.605 32.360 14.977 1.00 29.02 H new ATOM 0 HA ILE B 871 4.274 32.969 16.931 1.00 28.56 H new ATOM 0 HB ILE B 871 3.333 30.433 16.099 1.00 29.83 H new ATOM 0 HG12 ILE B 871 2.749 31.803 18.493 1.00 29.86 H new ATOM 0 HG13 ILE B 871 1.918 32.103 17.208 1.00 29.86 H new ATOM 0 HG21 ILE B 871 4.235 29.474 18.049 1.00 33.54 H new ATOM 0 HG22 ILE B 871 5.402 30.041 17.142 1.00 33.54 H new ATOM 0 HG23 ILE B 871 4.923 30.852 18.415 1.00 33.54 H new ATOM 0 HD11 ILE B 871 0.749 30.605 18.560 1.00 29.69 H new ATOM 0 HD12 ILE B 871 1.116 29.890 17.195 1.00 29.69 H new ATOM 0 HD13 ILE B 871 1.960 29.586 18.500 1.00 29.69 H new ATOM 2980 N PHE B 872 5.692 31.583 14.451 1.00 26.49 N ATOM 2981 CA PHE B 872 6.987 31.234 13.809 1.00 28.62 C ATOM 2982 C PHE B 872 7.497 32.328 12.855 1.00 31.87 C ATOM 2983 O PHE B 872 8.462 32.135 12.114 1.00 34.94 O ATOM 2984 CB PHE B 872 6.851 29.902 13.086 1.00 30.57 C ATOM 2985 CG PHE B 872 6.799 28.701 14.030 1.00 30.38 C ATOM 2986 CD1 PHE B 872 7.968 28.077 14.441 1.00 31.22 C ATOM 2987 CD2 PHE B 872 5.580 28.219 14.535 1.00 29.87 C ATOM 2988 CE1 PHE B 872 7.917 27.001 15.347 1.00 28.26 C ATOM 2989 CE2 PHE B 872 5.526 27.121 15.396 1.00 30.72 C ATOM 2990 CZ PHE B 872 6.708 26.492 15.764 1.00 29.48 C ATOM 0 H PHE B 872 5.007 31.419 13.958 1.00 26.49 H new ATOM 0 HA PHE B 872 7.652 31.159 14.511 1.00 28.62 H new ATOM 0 HB2 PHE B 872 6.045 29.916 12.546 1.00 30.57 H new ATOM 0 HB3 PHE B 872 7.599 29.794 12.477 1.00 30.57 H new ATOM 0 HD1 PHE B 872 8.789 28.371 14.117 1.00 31.22 H new ATOM 0 HD2 PHE B 872 4.789 28.642 14.290 1.00 29.87 H new ATOM 0 HE1 PHE B 872 8.708 26.630 15.667 1.00 28.26 H new ATOM 0 HE2 PHE B 872 4.709 26.815 15.719 1.00 30.72 H new ATOM 0 HZ PHE B 872 6.683 25.727 16.292 1.00 29.48 H new ATOM 2991 N ALA B 873 6.822 33.479 12.845 1.00 31.16 N ATOM 2992 CA ALA B 873 7.176 34.615 11.969 1.00 34.00 C ATOM 2993 C ALA B 873 7.354 34.274 10.507 1.00 34.31 C ATOM 2994 O ALA B 873 8.377 34.573 9.939 1.00 39.32 O ATOM 2995 CB ALA B 873 8.412 35.292 12.539 1.00 33.60 C ATOM 0 H ALA B 873 6.140 33.629 13.347 1.00 31.16 H new ATOM 0 HA ALA B 873 6.416 35.218 11.968 1.00 34.00 H new ATOM 0 HB1 ALA B 873 8.659 36.042 11.975 1.00 33.60 H new ATOM 0 HB2 ALA B 873 8.222 35.610 13.435 1.00 33.60 H new ATOM 0 HB3 ALA B 873 9.144 34.656 12.570 1.00 33.60 H new ATOM 2996 N ILE B 874 6.391 33.598 9.904 1.00 36.96 N ATOM 2997 CA ILE B 874 6.517 33.110 8.512 1.00 41.78 C ATOM 2998 C ILE B 874 6.206 34.313 7.638 1.00 54.31 C ATOM 2999 O ILE B 874 5.263 35.035 7.957 1.00 50.46 O ATOM 3000 CB ILE B 874 5.480 32.033 8.183 1.00 41.99 C ATOM 3001 CG1 ILE B 874 5.588 30.829 9.149 1.00 47.12 C ATOM 3002 CG2 ILE B 874 5.522 31.636 6.694 1.00 41.01 C ATOM 3003 CD1 ILE B 874 6.535 29.751 8.748 1.00 48.40 C ATOM 0 H ILE B 874 5.642 33.402 10.278 1.00 36.96 H new ATOM 0 HA ILE B 874 7.399 32.729 8.375 1.00 41.78 H new ATOM 0 HB ILE B 874 4.598 32.411 8.327 1.00 41.99 H new ATOM 0 HG12 ILE B 874 5.854 31.160 10.021 1.00 47.12 H new ATOM 0 HG13 ILE B 874 4.706 30.439 9.250 1.00 47.12 H new ATOM 0 HG21 ILE B 874 4.854 30.954 6.522 1.00 41.01 H new ATOM 0 HG22 ILE B 874 5.337 32.415 6.146 1.00 41.01 H new ATOM 0 HG23 ILE B 874 6.401 31.289 6.476 1.00 41.01 H new ATOM 0 HD11 ILE B 874 6.528 29.048 9.417 1.00 48.40 H new ATOM 0 HD12 ILE B 874 6.265 29.385 7.892 1.00 48.40 H new ATOM 0 HD13 ILE B 874 7.430 30.117 8.674 1.00 48.40 H new ATOM 3004 N GLN B 875 6.977 34.532 6.565 1.00 63.87 N ATOM 3005 CA GLN B 875 6.678 35.569 5.535 1.00 73.45 C ATOM 3006 C GLN B 875 5.163 35.719 5.183 1.00 86.08 C ATOM 3007 O GLN B 875 4.451 34.711 5.020 1.00 87.47 O ATOM 3008 CB GLN B 875 7.471 35.272 4.246 1.00 75.22 C ATOM 3009 CG GLN B 875 7.222 33.880 3.619 1.00 75.23 C ATOM 3010 CD GLN B 875 7.332 33.853 2.086 1.00 77.15 C ATOM 3011 OE1 GLN B 875 8.111 34.602 1.487 1.00 83.58 O ATOM 3012 NE2 GLN B 875 6.564 32.978 1.449 1.00 74.92 N ATOM 0 H GLN B 875 7.694 34.086 6.405 1.00 63.87 H new ATOM 0 HA GLN B 875 6.950 36.412 5.930 1.00 73.45 H new ATOM 0 HB2 GLN B 875 7.254 35.950 3.587 1.00 75.22 H new ATOM 0 HB3 GLN B 875 8.418 35.358 4.440 1.00 75.22 H new ATOM 0 HG2 GLN B 875 7.859 33.250 3.990 1.00 75.23 H new ATOM 0 HG3 GLN B 875 6.338 33.574 3.876 1.00 75.23 H new ATOM 0 HE21 GLN B 875 6.031 32.470 1.893 1.00 74.92 H new ATOM 0 HE22 GLN B 875 6.599 32.919 0.592 1.00 74.92 H new ATOM 3013 N GLU B 876 4.683 36.966 5.069 1.00 94.72 N ATOM 3014 CA GLU B 876 3.258 37.256 4.778 1.00 97.11 C ATOM 3015 C GLU B 876 2.977 37.284 3.268 1.00102.80 C ATOM 3016 O GLU B 876 3.069 36.260 2.573 1.00 98.74 O ATOM 3017 CB GLU B 876 2.827 38.588 5.412 1.00 89.14 C ATOM 0 H GLU B 876 5.170 37.669 5.157 1.00 94.72 H new ATOM 0 HA GLU B 876 2.738 36.536 5.169 1.00 97.11 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.301 7.754 4.160 1.00 25.91 ZN2+ HETATM 3020 ZN ZN A 902 22.493 -6.470 2.813 1.00 31.97 ZN2+ HETATM 3021 ZN ZN A 903 34.360 -20.179 14.995 0.43 71.46 ZN2+ HETATM 3022 O1 MES A 904 18.940 32.223 23.628 0.59 31.08 O HETATM 3023 C2 MES A 904 18.707 31.697 24.916 0.59 31.72 C HETATM 3024 C3 MES A 904 18.903 30.215 24.956 0.59 30.98 C HETATM 3025 N4 MES A 904 17.968 29.589 24.030 0.59 29.96 N HETATM 3026 C5 MES A 904 18.149 30.041 22.633 0.59 29.41 C HETATM 3027 C6 MES A 904 18.498 31.536 22.443 0.59 30.97 C HETATM 3028 C7 MES A 904 17.892 28.094 24.106 0.59 27.94 C HETATM 3029 C8 MES A 904 18.100 27.453 25.474 0.59 25.59 C HETATM 3030 S MES A 904 17.339 25.937 25.629 0.59 23.48 S HETATM 3031 O1S MES A 904 18.013 25.174 26.685 0.59 24.97 O HETATM 3032 O2S MES A 904 17.295 25.261 24.348 0.59 22.71 O HETATM 3033 O3S MES A 904 15.969 26.264 26.124 0.59 23.16 O HETATM 0 HN4 MES A 904 17.204 29.870 24.307 0.59 29.96 H new HETATM 0 H82 MES A 904 19.051 27.349 25.634 0.59 25.59 H new HETATM 0 H81 MES A 904 17.761 28.050 26.159 0.59 25.59 H new HETATM 0 H72 MES A 904 17.022 27.820 23.775 0.59 27.94 H new HETATM 0 H71 MES A 904 18.554 27.728 23.499 0.59 27.94 H new HETATM 0 H62 MES A 904 17.716 31.993 22.095 0.59 30.97 H new HETATM 0 H61 MES A 904 19.192 31.607 21.769 0.59 30.97 H new HETATM 0 H52 MES A 904 18.852 29.509 22.228 0.59 29.41 H new HETATM 0 H51 MES A 904 17.333 29.853 22.143 0.59 29.41 H new HETATM 0 H32 MES A 904 19.815 29.991 24.714 0.59 30.98 H new HETATM 0 H31 MES A 904 18.758 29.882 25.855 0.59 30.98 H new HETATM 0 H22 MES A 904 19.306 32.120 25.551 0.59 31.72 H new HETATM 0 H21 MES A 904 17.803 31.911 25.194 0.59 31.72 H new HETATM 3034 C1 EDO A 905 31.906 -0.486 31.866 1.00 61.77 C HETATM 3035 O1 EDO A 905 30.526 -0.080 31.739 1.00 67.63 O HETATM 3036 C2 EDO A 905 32.029 -1.918 32.320 1.00 57.02 C HETATM 3037 O2 EDO A 905 33.189 -2.564 31.742 1.00 48.40 O HETATM 0 HO2 EDO A 905 33.811 -2.005 31.664 1.00 48.40 H new HETATM 0 HO1 EDO A 905 30.138 -0.576 31.183 1.00 67.63 H new HETATM 0 H22 EDO A 905 32.090 -1.947 33.288 1.00 57.02 H new HETATM 0 H21 EDO A 905 31.229 -2.407 32.072 1.00 57.02 H new HETATM 0 H12 EDO A 905 32.355 -0.378 31.013 1.00 61.77 H new HETATM 0 H11 EDO A 905 32.357 0.094 32.500 1.00 61.77 H new HETATM 3038 ZN ZN B 901 -10.385 25.376 30.815 1.00 23.05 ZN2+ HETATM 3039 ZN ZN B 902 0.878 34.627 32.063 1.00 26.04 ZN2+ HETATM 3040 C1 EDO B 903 12.733 26.486 28.632 1.00 53.10 C HETATM 3041 O1 EDO B 903 11.413 26.223 29.095 1.00 42.94 O HETATM 3042 C2 EDO B 903 12.773 26.203 27.136 1.00 55.99 C HETATM 3043 O2 EDO B 903 11.906 27.086 26.429 1.00 56.34 O HETATM 0 HO2 EDO B 903 11.249 27.282 26.914 1.00 56.34 H new HETATM 0 HO1 EDO B 903 11.217 25.421 28.941 1.00 42.94 H new HETATM 0 H22 EDO B 903 13.680 26.303 26.808 1.00 55.99 H new HETATM 0 H21 EDO B 903 12.511 25.284 26.970 1.00 55.99 H new HETATM 0 H12 EDO B 903 12.977 27.408 28.809 1.00 53.10 H new HETATM 0 H11 EDO B 903 13.374 25.928 29.100 1.00 53.10 H new HETATM 3044 O HOH A1001 16.089 23.237 27.421 1.00109.69 O HETATM 3045 O HOH A1002 45.060 1.466 23.204 1.00 37.05 O HETATM 3046 O HOH A1003 19.387 25.403 33.231 1.00 37.15 O HETATM 3047 O HOH A1004 19.114 5.096 29.110 1.00 44.49 O HETATM 3048 O HOH A1005 30.126 -8.388 33.753 1.00 76.33 O HETATM 3049 O HOH A1006 19.590 15.935 33.951 1.00 41.96 O HETATM 3050 O HOH A1007 25.907 18.625 35.846 1.00 51.17 O HETATM 3051 O HOH A1008 16.875 -1.945 9.760 1.00 50.93 O HETATM 3052 O HOH A1009 36.579 0.548 29.961 1.00 47.85 O HETATM 3053 O HOH A1010 15.989 15.675 34.769 1.00 53.09 O HETATM 3054 O BHOH A1011 19.007 12.656 29.866 0.64 32.57 O HETATM 3055 O HOH A1012 34.792 4.840 6.844 1.00 38.68 O HETATM 3056 O HOH A1013 13.948 4.930 26.771 1.00 49.98 O HETATM 3057 O HOH A1014 19.361 -11.498 2.346 1.00 51.12 O HETATM 3058 O HOH A1015 46.078 -7.202 17.892 1.00 57.01 O HETATM 3059 O HOH A1016 15.399 3.066 16.875 1.00 29.12 O HETATM 3060 O HOH A1017 30.940 21.160 13.444 1.00 34.39 O HETATM 3061 O HOH A1018 30.248 -5.754 -0.814 1.00 55.45 O HETATM 3062 O HOH A1019 10.431 -0.036 -0.641 1.00 55.45 O HETATM 3063 O HOH A1020 19.474 -0.275 27.925 1.00 51.38 O HETATM 3064 O HOH A1021 29.213 14.793 31.036 1.00 34.77 O HETATM 3065 O HOH A1022 25.629 22.186 14.617 1.00 31.83 O HETATM 3066 O HOH A1023 39.610 -9.969 24.437 1.00 45.37 O HETATM 3067 O HOH A1024 23.090 -8.910 26.806 1.00 54.25 O HETATM 3068 O HOH A1025 47.896 -0.472 24.486 1.00 46.77 O HETATM 3069 O HOH A1026 32.400 21.792 20.243 1.00 30.35 O HETATM 3070 O HOH A1027 35.620 -1.774 31.601 1.00 36.72 O HETATM 3071 O HOH A1028 17.509 -12.803 28.330 1.00 44.59 O HETATM 3072 O HOH A1029 28.889 7.122 6.315 1.00 26.72 O HETATM 3073 O HOH A1030 21.950 -4.318 -5.928 1.00 65.77 O HETATM 3074 O HOH A1031 14.178 4.536 29.486 1.00 58.12 O HETATM 3075 O HOH A1032 34.873 3.570 -2.718 1.00 70.08 O HETATM 3076 O HOH A1033 33.208 23.685 30.416 1.00 68.80 O HETATM 3077 O HOH A1034 31.070 -11.734 19.380 1.00 46.74 O HETATM 3078 O HOH A1035 29.924 -17.192 27.534 1.00 50.29 O HETATM 3079 O HOH A1036 34.834 -1.467 7.897 1.00 24.51 O HETATM 3080 O HOH A1037 19.699 24.206 23.910 1.00 40.83 O HETATM 3081 O HOH A1038 6.921 17.275 26.355 1.00 41.05 O HETATM 3082 O BHOH A1039 20.943 8.143 29.555 0.92 53.86 O HETATM 3083 O HOH A1040 24.500 17.820 24.961 1.00 24.95 O HETATM 3084 O HOH A1041 40.242 -7.277 18.495 1.00 31.44 O HETATM 3085 O HOH A1042 24.233 -13.448 22.173 1.00 24.51 O HETATM 3086 O HOH A1043 18.803 26.628 17.686 1.00 85.84 O HETATM 3087 O HOH A1044 37.443 11.206 22.688 1.00 41.04 O HETATM 3088 O HOH A1045 28.598 11.209 -4.483 1.00 70.81 O HETATM 3089 O HOH A1046 35.526 10.111 25.582 1.00 24.15 O HETATM 3090 O HOH A1047 34.076 -13.863 20.977 1.00 61.84 O HETATM 3091 O HOH A1048 19.515 -5.852 12.541 1.00 61.63 O HETATM 3092 O HOH A1049 30.354 -21.111 23.447 1.00 25.91 O HETATM 3093 O HOH A1050 35.115 17.885 21.910 1.00 35.63 O HETATM 3094 O HOH A1051 23.252 -14.150 33.785 1.00 31.42 O HETATM 3095 O HOH A1052 23.646 -10.218 23.697 1.00 77.84 O HETATM 3096 O HOH A1053 26.261 20.711 31.899 1.00 29.35 O HETATM 3097 O HOH A1054 22.363 17.577 15.846 1.00 29.35 O HETATM 3098 O HOH A1055 31.584 -9.897 21.229 1.00 26.90 O HETATM 3099 O HOH A1056 16.964 27.626 32.763 1.00 57.10 O HETATM 3100 O HOH A1057 40.420 -0.081 10.150 1.00 32.98 O HETATM 3101 O HOH A1058 42.230 1.781 14.709 1.00 43.99 O HETATM 3102 O HOH A1059 14.159 0.084 27.826 1.00 60.12 O HETATM 3103 O HOH A1060 28.821 -16.000 29.580 1.00 39.91 O HETATM 3104 O HOH A1061 21.549 26.376 37.956 1.00 51.37 O HETATM 3105 O HOH A1062 14.635 4.261 23.509 1.00 29.48 O HETATM 3106 O HOH A1063 27.977 -11.157 1.316 1.00 59.92 O HETATM 3107 O HOH A1064 17.869 -8.265 27.781 1.00 40.99 O HETATM 3108 O HOH A1065 15.167 -4.215 -6.512 1.00 63.91 O HETATM 3109 O HOH A1066 20.490 -9.287 8.586 1.00 62.66 O HETATM 3110 O HOH A1067 19.935 -6.165 -5.356 1.00 62.77 O HETATM 3111 O HOH A1068 13.091 6.252 14.122 1.00 35.47 O HETATM 3112 O HOH A1069 19.999 34.559 24.431 1.00 95.18 O HETATM 3113 O HOH A1070 37.097 13.108 14.719 1.00 49.55 O HETATM 3114 O HOH A1071 25.624 15.627 23.690 1.00 16.61 O HETATM 3115 O HOH A1072 12.826 5.236 19.738 1.00 50.23 O HETATM 3116 O HOH A1073 18.347 -3.396 16.074 1.00 54.46 O HETATM 3117 O HOH A1074 31.380 25.107 29.816 1.00 53.25 O HETATM 3118 O HOH A1075 18.953 11.259 -2.507 1.00 32.49 O HETATM 3119 O HOH A1076 30.955 6.811 -0.701 1.00 40.46 O HETATM 3120 O HOH A1077 24.606 -1.952 28.134 1.00 24.25 O HETATM 3121 O HOH A1078 26.494 -3.886 28.643 1.00 24.33 O HETATM 3122 O HOH A1079 25.803 7.792 29.058 1.00 39.94 O HETATM 3123 O HOH A1080 26.127 11.319 8.958 1.00 44.40 O HETATM 3124 O HOH A1081 15.759 12.337 12.171 1.00 36.00 O HETATM 3125 O HOH A1082 37.659 8.357 25.892 1.00 37.24 O HETATM 3126 O HOH A1083 27.099 -8.895 15.985 1.00 40.74 O HETATM 3127 O HOH A1084 16.842 7.928 11.342 1.00 28.87 O HETATM 3128 O HOH A1085 35.701 -20.335 19.572 1.00 55.33 O HETATM 3129 O HOH A1086 24.889 27.645 29.040 1.00 25.66 O HETATM 3130 O HOH A1087 28.127 17.071 23.865 1.00 19.12 O HETATM 3131 O HOH A1088 44.163 3.442 15.327 1.00 43.18 O HETATM 3132 O HOH A1089 31.813 -4.237 33.409 1.00 45.53 O HETATM 3133 O HOH A1090 27.320 -14.852 4.088 1.00 50.73 O HETATM 3134 O HOH A1091 15.457 25.767 22.389 1.00 23.29 O HETATM 3135 O HOH A1092 20.005 11.450 12.230 1.00 26.39 O HETATM 3136 O HOH A1093 35.848 18.916 18.431 1.00 67.53 O HETATM 3137 O HOH A1094 10.798 6.302 25.787 1.00 50.92 O HETATM 3138 O HOH A1095 27.967 26.995 28.324 1.00 36.71 O HETATM 3139 O HOH A1096 32.003 8.350 28.528 1.00 22.19 O HETATM 3140 O HOH A1097 9.301 9.634 22.576 1.00 29.99 O HETATM 3141 O HOH A1098 17.678 -0.440 17.199 1.00 29.01 O HETATM 3142 O HOH A1099 22.805 -8.273 10.481 1.00 37.32 O HETATM 3143 O HOH A1100 16.762 4.129 30.451 1.00 51.77 O HETATM 3144 O HOH A1101 20.069 -6.993 26.214 1.00 34.33 O HETATM 3145 O HOH A1102 24.366 17.422 19.120 1.00 18.85 O HETATM 3146 O HOH A1103 37.598 7.940 23.071 1.00 33.31 O HETATM 3147 O HOH A1104 14.281 1.136 8.015 1.00 45.89 O HETATM 3148 O HOH A1105 24.004 -11.347 20.515 1.00 39.63 O HETATM 3149 O HOH A1106 36.578 -3.359 9.102 1.00 26.82 O HETATM 3150 O HOH A1107 14.663 10.877 8.251 1.00 42.21 O HETATM 3151 O BHOH A1108 21.010 11.246 28.520 0.62 24.86 O HETATM 3152 O HOH A1109 11.457 20.696 26.307 1.00 28.92 O HETATM 3153 O HOH A1110 23.261 -13.285 18.308 1.00 74.66 O HETATM 3154 O HOH A1111 20.165 19.047 19.881 1.00 34.94 O HETATM 3155 O HOH A1112 23.745 -7.820 29.840 1.00 45.61 O HETATM 3156 O HOH A1113 21.187 -8.441 30.073 1.00 47.56 O HETATM 3157 O HOH A1114 27.490 -1.245 31.512 1.00 44.00 O HETATM 3158 O HOH A1115 31.735 -10.089 6.819 1.00 39.75 O HETATM 3159 O HOH A1116 17.623 1.755 15.758 1.00 21.89 O HETATM 3160 O HOH A1117 34.200 4.167 9.201 1.00 22.30 O HETATM 3161 O HOH A1118 32.896 6.185 5.222 1.00 36.07 O HETATM 3162 O HOH A1119 29.962 -11.936 15.775 1.00 39.07 O HETATM 3163 O HOH A1120 22.245 0.033 -6.391 1.00 49.69 O HETATM 3164 O HOH A1121 38.902 3.301 14.691 1.00 25.88 O HETATM 3165 O HOH A1122 16.136 -0.342 2.813 1.00 33.20 O HETATM 3166 O HOH A1123 31.205 12.693 9.541 1.00 39.48 O HETATM 3167 O HOH A1124 33.796 -8.779 33.880 1.00 67.63 O HETATM 3168 O HOH A1125 34.707 -13.750 9.627 1.00 50.22 O HETATM 3169 O HOH A1126 37.585 -2.949 30.419 1.00 38.15 O HETATM 3170 O HOH A1127 36.565 11.394 8.083 1.00 72.87 O HETATM 3171 O HOH A1128 26.784 -20.875 10.874 1.00 49.40 O HETATM 3172 O HOH A1129 25.578 23.197 34.278 1.00 40.96 O HETATM 3173 O HOH A1130 25.063 9.165 -3.743 1.00 53.34 O HETATM 3174 O HOH A1131 20.875 -0.504 29.615 1.00 45.77 O HETATM 3175 O HOH A1132 35.869 11.592 18.734 1.00 33.76 O HETATM 3176 O HOH A1133 23.016 8.731 -2.045 1.00 32.40 O HETATM 3177 O HOH A1134 24.428 7.272 9.006 1.00 27.44 O HETATM 3178 O HOH A1135 21.399 -5.004 16.628 1.00 29.35 O HETATM 3179 O HOH A1136 17.367 -1.812 27.695 1.00 45.09 O HETATM 3180 O HOH A1137 13.616 5.865 11.765 1.00 50.80 O HETATM 3181 O HOH A1138 24.077 -8.576 15.521 1.00 43.18 O HETATM 3182 O HOH A1139 29.667 -2.846 3.227 1.00 31.85 O HETATM 3183 O HOH A1140 19.298 27.154 20.594 1.00 54.60 O HETATM 3184 O HOH A1141 12.257 7.630 17.098 1.00 48.73 O HETATM 3185 O HOH A1142 32.024 16.566 29.079 1.00 20.77 O HETATM 3186 O HOH A1143 19.756 30.924 27.727 1.00108.58 O HETATM 3187 O HOH A1144 21.145 19.987 22.184 1.00 33.28 O HETATM 3188 O HOH A1145 22.038 26.018 24.049 1.00 31.23 O HETATM 3189 O HOH A1146 39.976 -7.793 25.564 1.00 32.62 O HETATM 3190 O HOH A1147 32.477 6.038 10.003 1.00 22.16 O HETATM 3191 O HOH A1148 30.056 22.364 21.588 1.00 22.54 O HETATM 3192 O HOH A1149 38.847 -9.598 15.450 1.00 44.62 O HETATM 3193 O HOH A1150 24.228 15.902 10.325 1.00 39.61 O HETATM 3194 O HOH A1151 27.059 -9.384 31.573 1.00 41.34 O HETATM 3195 O HOH A1152 28.666 -0.077 -4.868 1.00 58.86 O HETATM 3196 O HOH A1153 32.045 -15.888 24.904 1.00 49.61 O HETATM 3197 O HOH A1154 33.814 -14.853 12.204 1.00 45.91 O HETATM 3198 O HOH A1155 40.559 -0.073 12.769 1.00 26.43 O HETATM 3199 O HOH A1156 23.988 10.305 1.219 1.00 29.66 O HETATM 3200 O HOH A1157 15.770 28.177 28.266 1.00 32.61 O HETATM 3201 O HOH A1158 20.775 2.971 28.697 1.00 42.76 O HETATM 3202 O HOH A1159 42.473 -7.211 21.378 1.00 33.86 O HETATM 3203 O HOH A1160 22.291 17.912 23.546 1.00 27.15 O HETATM 3204 O HOH A1161 30.801 21.868 32.651 1.00 47.29 O HETATM 3205 O HOH A1162 26.999 18.757 30.184 1.00 23.14 O HETATM 3206 O HOH A1163 15.550 3.445 10.318 1.00 33.40 O HETATM 3207 O HOH A1164 14.625 1.628 23.369 1.00 41.03 O HETATM 3208 O HOH A1165 37.933 3.488 8.647 1.00 40.86 O HETATM 3209 O HOH A1166 30.557 -13.940 29.993 1.00 40.40 O HETATM 3210 O HOH A1167 25.460 15.651 20.949 1.00 18.07 O HETATM 3211 O HOH A1168 25.417 29.542 33.371 1.00 42.76 O HETATM 3212 O HOH A1169 17.925 30.206 28.870 1.00 36.83 O HETATM 3213 O HOH A1170 25.312 -12.436 4.994 1.00 50.79 O HETATM 3214 O HOH A1171 34.103 -12.077 27.634 1.00 24.07 O HETATM 3215 O HOH A1172 39.250 -8.731 12.830 1.00 34.20 O HETATM 3216 O HOH A1173 30.502 23.384 26.143 1.00 33.97 O HETATM 3217 O HOH A1174 19.997 -6.499 23.355 1.00 26.07 O HETATM 3218 O HOH A1175 28.537 17.679 11.558 1.00 26.81 O HETATM 3219 O HOH A1176 34.788 21.782 16.702 1.00 51.98 O HETATM 3220 O HOH A1177 29.009 -7.637 31.225 1.00 27.71 O HETATM 3221 O HOH A1178 28.970 -10.570 3.673 1.00 43.25 O HETATM 3222 O HOH A1179 24.385 9.183 30.423 1.00 45.68 O HETATM 3223 O HOH A1180 45.144 -6.242 24.062 1.00 58.78 O HETATM 3224 O HOH A1181 25.812 2.762 30.233 1.00 42.56 O HETATM 3225 O HOH A1182 37.822 -8.409 31.689 1.00 47.68 O HETATM 3226 O HOH A1183 33.337 -12.283 7.364 1.00 59.77 O HETATM 3227 O HOH A1184 43.008 1.714 27.611 1.00 45.87 O HETATM 3228 O HOH A1185 19.172 -8.400 -2.911 1.00 72.08 O HETATM 3229 O HOH A1186 32.121 -6.592 32.675 1.00 30.21 O HETATM 3230 O HOH A1187 12.681 -2.648 27.383 1.00 51.08 O HETATM 3231 O HOH A1188 39.575 5.110 29.825 1.00 51.06 O HETATM 3232 O HOH A1189 44.231 5.488 21.064 1.00 38.12 O HETATM 3233 O HOH A1190 32.730 -16.834 22.670 1.00 56.76 O HETATM 3234 O HOH A1191 35.612 18.103 15.679 1.00 63.57 O HETATM 3235 O HOH A1192 25.503 -18.205 13.245 1.00 62.26 O HETATM 3236 O HOH A1193 31.281 17.044 12.621 1.00 25.72 O HETATM 3237 O HOH A1194 23.522 18.753 36.066 1.00 51.18 O HETATM 3238 O HOH A1195 32.302 3.308 28.804 1.00 25.50 O HETATM 3239 O HOH A1196 36.562 8.131 29.055 1.00 75.72 O HETATM 3240 O HOH A1197 28.441 19.868 12.939 1.00 25.58 O HETATM 3241 O HOH A1198 15.237 -4.753 27.649 1.00 51.65 O HETATM 3242 O HOH A1199 23.346 -10.384 12.304 1.00 59.25 O HETATM 3243 O HOH A1200 28.794 -10.312 13.950 1.00 40.99 O HETATM 3244 O HOH A1201 40.750 4.154 21.593 1.00 27.03 O HETATM 3245 O HOH A1202 39.953 4.753 25.934 1.00 50.82 O HETATM 3246 O HOH A1203 21.181 17.144 12.869 1.00 46.85 O HETATM 3247 O HOH A1204 31.484 18.112 31.473 1.00 29.44 O HETATM 3248 O HOH A1205 19.973 9.418 10.273 1.00 32.33 O HETATM 3249 O HOH A1206 33.274 15.452 12.146 1.00 48.61 O HETATM 3250 O HOH A1207 20.141 -8.743 22.051 1.00 36.73 O HETATM 3251 O HOH A1208 22.703 22.523 20.709 1.00 36.54 O HETATM 3252 O HOH A1209 33.706 4.878 2.671 1.00 50.31 O HETATM 3253 O HOH A1210 27.721 -11.007 33.367 1.00 52.73 O HETATM 3254 O HOH A1211 29.817 9.913 34.165 1.00 58.92 O HETATM 3255 O HOH A1212 25.098 -0.942 -4.959 1.00 64.94 O HETATM 3256 O HOH A1213 30.901 -3.343 -12.566 1.00 46.83 O HETATM 3257 O HOH A1214 36.752 -12.767 22.771 1.00 51.28 O HETATM 3258 O HOH A1215 26.655 5.377 30.654 1.00 45.73 O HETATM 3259 O HOH A1216 35.289 1.065 -4.204 1.00 85.53 O HETATM 3260 O HOH A1217 22.042 5.835 32.505 1.00 57.99 O HETATM 3261 O HOH A1218 34.733 2.499 29.919 1.00 42.16 O HETATM 3262 O HOH A1219 21.453 -9.765 23.970 1.00 69.61 O HETATM 3263 O HOH A1220 21.596 -13.734 14.864 1.00 63.41 O HETATM 3264 O HOH A1221 9.376 8.245 2.801 1.00 67.17 O HETATM 3265 O HOH A1222 22.337 20.277 16.655 1.00 55.91 O HETATM 3266 O HOH A1223 16.587 22.660 35.237 1.00 60.94 O HETATM 3267 O HOH A1224 33.078 1.857 31.430 1.00 61.42 O HETATM 3268 O HOH A1225 10.528 21.210 30.472 1.00 41.14 O HETATM 3269 O HOH A1226 20.876 28.392 22.964 1.00 34.99 O HETATM 3270 O HOH A1227 24.155 -12.184 -4.536 1.00 67.79 O HETATM 3271 O HOH A1228 34.315 23.167 26.219 1.00 48.41 O HETATM 3272 O HOH A1229 5.627 19.255 30.269 1.00 44.62 O HETATM 3273 O HOH A1230 15.403 27.380 30.656 1.00 48.44 O HETATM 3274 O HOH A1231 21.604 -13.202 36.094 1.00 54.12 O HETATM 3275 O HOH A1232 28.430 17.732 34.971 1.00 53.86 O HETATM 3276 O HOH A1233 40.660 3.142 23.704 1.00 37.97 O HETATM 3277 O HOH A1234 18.216 24.835 35.659 1.00 52.31 O HETATM 3278 O HOH A1235 18.044 -1.109 11.628 1.00 42.51 O HETATM 3279 O HOH A1236 17.482 -2.950 -7.364 1.00 57.87 O HETATM 3280 O HOH A1237 18.231 13.993 34.408 1.00 53.71 O HETATM 3281 O HOH A1238 21.319 -9.467 5.871 1.00 50.93 O HETATM 3282 O HOH A1239 29.265 -0.346 -8.443 1.00 65.65 O HETATM 3283 O HOH A1240 17.855 28.420 27.936 1.00111.38 O HETATM 3284 O HOH A1241 34.593 5.981 31.173 1.00 51.24 O HETATM 3285 O HOH A1242 14.667 2.014 12.537 1.00 42.30 O HETATM 3286 O HOH A1243 23.182 -11.756 3.513 1.00 59.43 O HETATM 3287 O HOH A1244 33.319 8.986 4.451 1.00 56.55 O HETATM 3288 O HOH A1245 31.562 13.813 31.854 1.00 36.64 O HETATM 3289 O HOH A1246 31.350 11.120 31.804 1.00 34.35 O HETATM 3290 O HOH A1247 27.546 -5.310 31.322 1.00 43.84 O HETATM 3291 O HOH A1248 20.893 30.905 19.583 1.00 45.84 O HETATM 3292 O HOH A1249 31.553 -4.741 0.657 1.00 61.99 O HETATM 3293 O HOH A1250 29.040 13.475 8.893 1.00 50.21 O HETATM 3294 O HOH A1251 18.790 -6.855 30.219 1.00 58.25 O HETATM 3295 O HOH A1252 34.826 20.369 14.816 1.00 52.67 O HETATM 3296 O HOH A1253 13.566 3.317 14.581 1.00 38.79 O HETATM 3297 O HOH A1254 34.333 9.819 28.159 1.00 31.06 O HETATM 3298 O HOH A1255 33.859 -12.595 18.720 1.00 53.83 O HETATM 3299 O HOH A1256 22.727 10.848 3.664 1.00 39.01 O HETATM 3300 O HOH A1257 33.909 -14.567 26.551 1.00 42.13 O HETATM 3301 O HOH A1258 36.997 15.715 21.583 1.00 59.94 O HETATM 3302 O HOH A1259 29.970 9.719 29.938 1.00 25.53 O HETATM 3303 O HOH A1260 44.582 5.392 23.303 1.00 56.74 O HETATM 3304 O HOH A1261 17.683 -10.914 -0.626 1.00 58.98 O HETATM 3305 O HOH A1262 40.059 10.142 26.121 1.00 45.13 O HETATM 3306 O HOH A1263 37.827 12.527 28.939 1.00 78.97 O HETATM 3307 O HOH A1264 24.429 -0.800 30.660 1.00 52.41 O HETATM 3308 O HOH A1265 24.400 5.559 32.176 1.00 64.07 O HETATM 3309 O HOH A1266 31.512 6.882 7.515 1.00 28.91 O HETATM 3310 O HOH A1267 28.886 17.581 31.730 1.00 31.38 O HETATM 3311 O HOH A1268 37.536 13.208 20.121 1.00 55.72 O HETATM 3312 O HOH A1269 32.296 -17.977 25.879 1.00 64.27 O HETATM 3313 O HOH A1270 32.940 9.581 7.269 1.00 42.28 O HETATM 3314 O HOH A1271 22.034 30.403 21.903 1.00 43.92 O HETATM 3315 O HOH A1272 43.597 -8.480 19.249 1.00 55.08 O HETATM 3316 O HOH A1273 30.769 25.906 27.110 1.00 37.87 O HETATM 3317 O HOH A1274 20.877 -13.112 4.144 1.00 79.10 O HETATM 3318 O HOH A1275 28.126 7.894 30.972 1.00 34.37 O HETATM 3319 O HOH A1276 22.603 -8.480 13.272 1.00 51.51 O HETATM 3320 O HOH A1277 26.725 21.784 12.172 1.00 42.19 O HETATM 3321 O HOH A1278 33.085 -14.839 29.576 1.00 51.03 O HETATM 3322 O HOH A1279 15.332 0.157 30.501 1.00 55.33 O HETATM 3323 O HOH A1280 13.120 5.801 21.926 1.00 51.70 O HETATM 3324 O HOH A1281 12.871 8.616 30.894 1.00 52.39 O HETATM 3325 O HOH A1282 10.452 13.516 31.176 1.00 59.86 O HETATM 3326 O HOH A1283 23.802 12.147 5.447 1.00 47.91 O HETATM 3327 O HOH A1284 32.810 -19.913 23.266 1.00 50.77 O HETATM 3328 O HOH A1285 23.065 2.436 30.824 1.00 57.28 O HETATM 3329 O HOH A1286 14.040 35.218 31.079 1.00 75.23 O HETATM 3330 O HOH A1287 35.729 22.149 23.530 1.00 54.97 O HETATM 3331 O HOH A1288 24.646 20.939 10.364 1.00 63.25 O HETATM 3332 O HOH A1289 18.263 11.650 4.515 1.00 46.14 O HETATM 3333 O HOH A1290 34.634 20.153 20.710 1.00 36.69 O HETATM 3334 O HOH A1291 16.118 10.238 10.536 1.00 41.68 O HETATM 3335 O HOH A1292 33.923 23.705 21.456 1.00 56.36 O HETATM 3336 O HOH A1293 22.295 22.858 18.018 1.00 64.84 O HETATM 3337 O HOH A1294 20.677 -15.055 1.898 1.00 81.08 O HETATM 3338 O HOH A1295 40.825 -7.841 28.276 1.00 54.12 O HETATM 3339 O HOH A1296 35.712 15.567 13.407 1.00 55.86 O HETATM 3340 O HOH A1297 31.363 14.526 34.445 1.00 64.81 O HETATM 3341 O HOH A1298 37.130 18.847 23.437 1.00 46.91 O HETATM 3342 O HOH A1299 14.124 0.897 17.871 1.00 57.68 O HETATM 3343 O HOH A1300 33.909 14.853 29.964 1.00 27.46 O HETATM 3344 O HOH A1301 23.113 10.953 8.375 1.00 40.38 O HETATM 3345 O HOH A1302 22.118 8.891 8.516 1.00 32.87 O HETATM 3346 O HOH A1303 40.086 6.881 22.162 1.00 39.14 O HETATM 3347 O HOH A1304 22.191 13.004 10.642 1.00 44.44 O HETATM 3348 O HOH A1305 25.266 -5.448 30.416 1.00 34.17 O HETATM 3349 O HOH A1306 31.867 5.893 29.852 1.00 28.14 O HETATM 3350 O HOH A1307 24.297 11.065 -5.643 1.00 60.46 O HETATM 3351 O HOH A1308 16.502 0.316 13.585 1.00 38.51 O HETATM 3352 O HOH A1309 36.033 -12.221 29.830 1.00 41.45 O HETATM 3353 O HOH A1310 20.645 -2.704 -7.725 1.00 59.48 O HETATM 3354 O HOH A1311 29.956 5.605 31.370 1.00 40.46 O HETATM 3355 O HOH A1312 34.928 12.340 29.381 1.00 33.86 O HETATM 3356 O HOH A1313 32.956 17.571 33.573 1.00 48.69 O HETATM 3357 O HOH A1314 9.462 11.221 33.747 1.00 78.19 O HETATM 3358 O HOH A1315 14.538 7.226 32.923 1.00 57.09 O HETATM 3359 O HOH B1001 11.679 28.631 26.694 1.00 56.79 O HETATM 3360 O HOH B1002 -13.128 13.988 10.633 1.00 32.53 O HETATM 3361 O HOH B1003 -13.780 20.954 5.102 1.00 64.01 O HETATM 3362 O HOH B1004 16.355 26.385 10.387 1.00 46.17 O HETATM 3363 O HOH B1005 -2.874 17.765 30.179 1.00 51.55 O HETATM 3364 O HOH B1006 -15.637 5.605 13.209 1.00 70.93 O HETATM 3365 O HOH B1007 -14.067 15.933 23.330 1.00 73.47 O HETATM 3366 O HOH B1008 -5.837 18.260 2.493 1.00 67.30 O HETATM 3367 O HOH B1009 19.305 20.049 16.979 1.00 43.66 O HETATM 3368 O HOH B1010 -13.063 29.120 39.619 1.00 57.43 O HETATM 3369 O HOH B1011 -6.340 34.589 24.916 1.00 46.53 O HETATM 3370 O HOH B1012 3.493 13.011 9.378 1.00 44.72 O HETATM 3371 O HOH B1013 -0.230 19.048 35.740 1.00 32.48 O HETATM 3372 O HOH B1014 -6.481 27.966 6.073 1.00 57.66 O HETATM 3373 O HOH B1015 -8.660 40.624 38.718 1.00 79.05 O HETATM 3374 O HOH B1016 3.854 17.980 28.406 1.00 35.40 O HETATM 3375 O HOH B1017 -9.984 7.691 21.611 1.00 51.84 O HETATM 3376 O HOH B1018 8.178 15.018 5.014 1.00 57.36 O HETATM 3377 O HOH B1019 -9.162 6.018 15.214 1.00 59.15 O HETATM 3378 O HOH B1020 6.068 23.993 3.387 1.00 49.86 O HETATM 3379 O HOH B1021 1.608 9.196 21.914 1.00 56.98 O HETATM 3380 O HOH B1022 -4.149 7.452 13.763 1.00 50.91 O HETATM 3381 O HOH B1023 -10.285 31.562 18.055 1.00 30.44 O HETATM 3382 O HOH B1024 10.583 11.700 14.006 1.00 50.44 O HETATM 3383 O HOH B1025 14.514 37.283 20.821 1.00 49.93 O HETATM 3384 O HOH B1026 -13.671 30.678 38.533 1.00 42.56 O HETATM 3385 O HOH B1027 -19.362 21.885 1.716 1.00 71.28 O HETATM 3386 O HOH B1028 13.954 29.708 26.704 1.00 30.43 O HETATM 3387 O HOH B1029 10.377 38.161 30.817 1.00 49.48 O HETATM 3388 O HOH B1030 13.367 38.365 27.073 1.00 37.34 O HETATM 3389 O HOH B1031 8.230 39.665 29.124 1.00 72.04 O HETATM 3390 O HOH B1032 -12.442 33.755 25.122 1.00 77.58 O HETATM 3391 O HOH B1033 -12.350 27.155 23.701 1.00 32.28 O HETATM 3392 O HOH B1034 1.839 26.867 3.254 1.00 50.97 O HETATM 3393 O HOH B1035 -7.689 8.439 4.230 1.00 60.68 O HETATM 3394 O HOH B1036 -12.013 22.300 22.754 1.00 33.31 O HETATM 3395 O HOH B1037 3.199 24.752 32.677 1.00 31.44 O HETATM 3396 O HOH B1038 -15.916 32.000 9.337 1.00 62.78 O HETATM 3397 O HOH B1039 0.666 12.934 9.712 1.00 32.28 O HETATM 3398 O HOH B1040 -9.868 32.933 11.494 1.00 48.34 O HETATM 3399 O HOH B1041 -19.384 30.119 12.494 1.00 41.22 O HETATM 3400 O HOH B1042 7.454 22.744 27.144 1.00 23.73 O HETATM 3401 O HOH B1043 3.473 18.900 25.915 1.00 24.55 O HETATM 3402 O HOH B1044 -15.982 25.876 26.621 1.00 35.15 O HETATM 3403 O HOH B1045 2.205 11.303 13.922 1.00 42.33 O HETATM 3404 O HOH B1046 11.249 23.631 28.410 1.00 35.60 O HETATM 3405 O HOH B1047 11.103 17.984 22.173 1.00 25.73 O HETATM 3406 O HOH B1048 -4.209 10.608 23.291 1.00 36.65 O HETATM 3407 O HOH B1049 -0.922 16.501 6.796 1.00 26.86 O HETATM 3408 O HOH B1050 -16.951 16.111 15.693 1.00 35.59 O HETATM 3409 O HOH B1051 -7.304 18.301 26.370 1.00 45.06 O HETATM 3410 O HOH B1052 -5.512 35.140 19.033 1.00 43.94 O HETATM 3411 O HOH B1053 -13.828 31.190 15.190 1.00 41.49 O HETATM 3412 O HOH B1054 -2.572 19.963 28.580 1.00 21.52 O HETATM 3413 O HOH B1055 -14.358 15.911 19.340 1.00 34.90 O HETATM 3414 O HOH B1056 10.289 21.645 4.642 1.00 50.87 O HETATM 3415 O HOH B1057 -14.250 30.688 20.413 1.00 37.05 O HETATM 3416 O HOH B1058 -0.096 11.937 16.717 1.00 39.35 O HETATM 3417 O HOH B1059 -8.626 3.995 10.151 1.00 66.99 O HETATM 3418 O HOH B1060 -15.548 29.923 17.916 1.00 48.64 O HETATM 3419 O HOH B1061 -7.970 22.486 37.027 1.00 29.14 O HETATM 3420 O HOH B1062 4.500 39.286 39.030 1.00 66.33 O HETATM 3421 O HOH B1063 10.418 31.796 28.360 1.00 30.25 O HETATM 3422 O HOH B1064 15.193 24.094 16.502 1.00 40.71 O HETATM 3423 O HOH B1065 -21.497 13.260 11.878 1.00 46.74 O HETATM 3424 O HOH B1066 17.725 39.972 26.283 1.00 29.94 O HETATM 3425 O HOH B1067 12.908 30.117 19.424 1.00 50.72 O HETATM 3426 O HOH B1068 -18.706 30.209 19.837 1.00 65.49 O HETATM 3427 O HOH B1069 -1.468 34.649 21.118 1.00 54.22 O HETATM 3428 O HOH B1070 -0.121 9.984 20.722 1.00 42.28 O HETATM 3429 O HOH B1071 -11.654 30.974 11.243 1.00 33.71 O HETATM 3430 O HOH B1072 -0.007 29.078 6.727 1.00 33.40 O HETATM 3431 O HOH B1073 -0.541 33.977 17.737 1.00 44.05 O HETATM 3432 O HOH B1074 -10.129 10.966 1.392 1.00 65.51 O HETATM 3433 O HOH B1075 13.406 31.173 7.050 1.00 56.41 O HETATM 3434 O HOH B1076 -12.912 14.748 16.129 1.00 25.26 O HETATM 3435 O HOH B1077 -8.704 42.688 40.888 0.50145.64 O HETATM 3436 O HOH B1078 -7.769 31.121 19.061 1.00 24.92 O HETATM 3437 O HOH B1079 6.580 37.527 29.794 1.00 37.03 O HETATM 3438 O HOH B1080 8.511 34.049 31.117 1.00 47.18 O HETATM 3439 O HOH B1081 15.381 24.467 9.420 1.00 47.88 O HETATM 3440 O HOH B1082 -5.547 20.303 5.818 1.00 40.48 O HETATM 3441 O HOH B1083 12.426 43.298 23.171 1.00 57.35 O HETATM 3442 O HOH B1084 -6.062 22.378 25.987 1.00 23.62 O HETATM 3443 O HOH B1085 -6.299 37.695 27.909 1.00 50.78 O HETATM 3444 O HOH B1086 3.786 20.138 32.765 1.00 38.84 O HETATM 3445 O HOH B1087 0.754 11.491 27.595 1.00 39.29 O HETATM 3446 O HOH B1088 -14.547 4.322 10.063 1.00 75.70 O HETATM 3447 O HOH B1089 -7.788 36.923 30.487 1.00 53.29 O HETATM 3448 O HOH B1090 11.627 13.144 19.593 1.00 35.83 O HETATM 3449 O HOH B1091 11.074 18.265 25.125 1.00 29.15 O HETATM 3450 O HOH B1092 7.526 23.538 29.448 1.00 37.03 O HETATM 3451 O HOH B1093 -14.639 10.105 20.926 1.00 43.58 O HETATM 3452 O HOH B1094 -2.595 5.368 10.096 1.00 69.55 O HETATM 3453 O HOH B1095 14.845 33.914 27.091 1.00 36.95 O HETATM 3454 O HOH B1096 -9.467 12.111 23.547 1.00 32.70 O HETATM 3455 O HOH B1097 8.280 27.901 2.439 1.00 48.16 O HETATM 3456 O HOH B1098 -6.348 9.752 6.537 1.00 39.07 O HETATM 3457 O HOH B1099 1.322 41.071 32.444 1.00 56.94 O HETATM 3458 O HOH B1100 8.275 9.364 17.716 1.00 55.13 O HETATM 3459 O HOH B1101 -14.733 15.879 12.218 1.00 37.57 O HETATM 3460 O HOH B1102 -14.944 17.805 22.455 1.00 63.56 O HETATM 3461 O HOH B1103 11.122 15.559 20.589 1.00 36.61 O HETATM 3462 O HOH B1104 4.031 27.266 31.697 1.00 23.75 O HETATM 3463 O HOH B1105 -11.417 21.038 6.378 1.00 47.67 O HETATM 3464 O HOH B1106 2.406 20.203 6.190 1.00 34.90 O HETATM 3465 O HOH B1107 9.928 23.037 26.065 1.00 22.92 O HETATM 3466 O HOH B1108 2.766 29.145 6.309 1.00 31.69 O HETATM 3467 O HOH B1109 -0.711 37.794 38.622 1.00 62.87 O HETATM 3468 O HOH B1110 -10.722 14.785 11.590 1.00 28.12 O HETATM 3469 O HOH B1111 15.486 29.673 19.545 1.00 55.51 O HETATM 3470 O HOH B1112 -8.007 33.766 31.969 1.00 27.70 O HETATM 3471 O HOH B1113 -4.793 14.235 25.346 1.00 31.98 O HETATM 3472 O HOH B1114 14.114 25.822 3.129 1.00 57.94 O HETATM 3473 O HOH B1115 -10.646 15.098 14.301 1.00 24.69 O HETATM 3474 O HOH B1116 3.654 13.427 12.024 1.00 37.61 O HETATM 3475 O HOH B1117 -1.878 11.803 27.326 1.00 57.89 O HETATM 3476 O HOH B1118 -3.744 10.235 5.366 1.00 43.90 O HETATM 3477 O HOH B1119 2.975 36.351 22.000 1.00 61.91 O HETATM 3478 O HOH B1120 -0.615 35.538 11.125 1.00 40.14 O HETATM 3479 O HOH B1121 -11.465 14.145 -2.540 1.00 46.60 O HETATM 3480 O HOH B1122 -10.531 35.832 30.654 1.00 55.67 O HETATM 3481 O HOH B1123 10.956 15.441 5.572 1.00 63.16 O HETATM 3482 O HOH B1124 -10.419 33.763 26.990 1.00 49.60 O HETATM 3483 O HOH B1125 7.624 16.512 20.348 1.00 21.87 O HETATM 3484 O HOH B1126 -26.966 17.747 6.987 1.00 35.98 O HETATM 3485 O HOH B1127 0.048 9.295 15.490 1.00 47.01 O HETATM 3486 O HOH B1128 -11.361 33.458 29.399 1.00 55.04 O HETATM 3487 O HOH B1129 -22.033 14.614 3.293 1.00 74.60 O HETATM 3488 O HOH B1130 -10.727 31.245 24.568 1.00 26.58 O HETATM 3489 O HOH B1131 -13.653 30.576 23.061 1.00 45.82 O HETATM 3490 O HOH B1132 -8.079 20.443 33.853 1.00 28.52 O HETATM 3491 O HOH B1133 5.356 37.105 13.562 1.00 57.19 O HETATM 3492 O HOH B1134 -6.414 32.829 17.491 1.00 28.09 O HETATM 3493 O HOH B1135 -9.801 1.478 9.419 1.00 85.18 O HETATM 3494 O HOH B1136 -23.210 14.880 6.698 1.00 64.55 O HETATM 3495 O HOH B1137 -17.052 14.894 13.394 1.00 32.43 O HETATM 3496 O HOH B1138 10.111 29.215 28.998 1.00 30.29 O HETATM 3497 O HOH B1139 -3.528 21.982 4.430 1.00 53.81 O HETATM 3498 O HOH B1140 -7.119 20.443 38.673 1.00 35.28 O HETATM 3499 O HOH B1141 -24.631 20.235 8.898 1.00 29.80 O HETATM 3500 O HOH B1142 2.169 35.848 24.251 1.00 40.98 O HETATM 3501 O HOH B1143 -11.081 10.280 22.142 1.00 29.08 O HETATM 3502 O HOH B1144 1.030 18.502 25.106 1.00 25.27 O HETATM 3503 O HOH B1145 -16.386 24.326 22.974 1.00 30.90 O HETATM 3504 O HOH B1146 -9.439 12.151 11.608 1.00 26.72 O HETATM 3505 O HOH B1147 1.532 18.297 29.708 1.00 30.51 O HETATM 3506 O HOH B1148 -4.416 30.756 6.084 1.00 50.23 O HETATM 3507 O HOH B1149 -9.836 23.116 5.854 1.00 46.31 O HETATM 3508 O HOH B1150 17.072 22.478 13.743 1.00 28.13 O HETATM 3509 O HOH B1151 11.396 39.885 28.671 1.00 51.05 O HETATM 3510 O HOH B1152 8.700 28.719 41.267 1.00 71.82 O HETATM 3511 O HOH B1153 -6.013 30.688 40.954 1.00 45.95 O HETATM 3512 O HOH B1154 -25.324 20.520 3.742 1.00 41.39 O HETATM 3513 O HOH B1155 8.576 14.655 13.575 1.00 25.05 O HETATM 3514 O HOH B1156 7.202 14.601 9.411 1.00 51.24 O HETATM 3515 O HOH B1157 7.634 35.135 32.969 1.00 51.51 O HETATM 3516 O HOH B1158 7.901 19.639 5.004 1.00 55.19 O HETATM 3517 O HOH B1159 -18.022 30.284 32.742 1.00 50.15 O HETATM 3518 O HOH B1160 0.518 36.802 41.236 1.00 62.11 O HETATM 3519 O HOH B1161 -20.493 9.424 11.810 1.00 55.85 O HETATM 3520 O HOH B1162 -25.001 16.265 3.175 1.00 59.22 O HETATM 3521 O HOH B1163 -27.957 25.522 5.034 1.00 49.24 O HETATM 3522 O HOH B1164 -6.891 10.613 22.753 1.00 24.66 O HETATM 3523 O HOH B1165 7.883 21.879 3.060 1.00 51.96 O HETATM 3524 O HOH B1166 12.354 15.534 7.830 1.00 64.79 O HETATM 3525 O HOH B1167 -13.520 6.004 20.704 1.00 79.81 O HETATM 3526 O HOH B1168 -2.134 24.788 4.512 1.00 55.79 O HETATM 3527 O HOH B1169 6.934 32.901 37.453 1.00 50.07 O HETATM 3528 O HOH B1170 -20.174 29.091 31.273 1.00 56.09 O HETATM 3529 O HOH B1171 6.582 28.562 34.660 1.00 38.85 O HETATM 3530 O HOH B1172 -11.657 16.523 25.150 1.00 44.05 O HETATM 3531 O HOH B1173 -11.033 23.844 24.756 1.00 29.92 O HETATM 3532 O HOH B1174 6.333 30.338 3.193 1.00 48.38 O HETATM 3533 O HOH B1175 19.347 18.507 10.761 1.00 67.84 O HETATM 3534 O HOH B1176 17.411 35.924 20.882 1.00 44.09 O HETATM 3535 O HOH B1177 0.367 36.161 7.828 1.00 58.62 O HETATM 3536 O HOH B1178 -16.975 12.503 15.173 1.00 67.61 O HETATM 3537 O HOH B1179 -16.754 24.372 35.005 1.00 61.77 O HETATM 3538 O HOH B1180 -4.448 36.858 24.343 1.00 40.05 O HETATM 3539 O HOH B1181 -18.589 28.315 34.168 1.00 47.62 O HETATM 3540 O HOH B1182 1.320 19.095 38.340 1.00 53.25 O HETATM 3541 O HOH B1183 9.192 13.708 29.109 1.00 55.35 O HETATM 3542 O HOH B1184 -20.975 12.904 5.761 1.00 49.54 O HETATM 3543 O HOH B1185 9.150 15.488 11.629 1.00 46.46 O HETATM 3544 O HOH B1186 -7.752 40.261 36.201 1.00 61.24 O HETATM 3545 O HOH B1187 -11.139 7.277 14.201 1.00 44.13 O HETATM 3546 O HOH B1188 11.220 28.753 0.829 1.00 62.74 O HETATM 3547 O HOH B1189 10.539 28.976 31.397 1.00 56.44 O HETATM 3548 O HOH B1190 3.056 37.311 41.611 1.00 68.09 O HETATM 3549 O HOH B1191 5.020 38.704 31.634 1.00 63.17 O HETATM 3550 O HOH B1192 1.828 37.655 28.755 1.00 36.18 O HETATM 3551 O HOH B1193 0.834 35.192 20.109 1.00 80.49 O HETATM 3552 O HOH B1194 2.520 16.622 3.986 1.00 59.41 O HETATM 3553 O HOH B1195 -10.098 32.804 22.687 1.00 41.41 O HETATM 3554 O HOH B1196 3.275 10.820 16.694 1.00 57.06 O HETATM 3555 O HOH B1197 0.935 40.032 30.023 1.00 71.14 O HETATM 3556 O HOH B1198 0.779 31.901 46.504 1.00 51.61 O HETATM 3557 O HOH B1199 -1.461 36.158 14.155 1.00 79.08 O HETATM 3558 O HOH B1200 -19.806 12.404 -2.041 1.00 54.44 O HETATM 3559 O HOH B1201 -4.917 26.206 4.397 1.00 65.20 O HETATM 3560 O HOH B1202 -9.414 20.853 31.371 1.00 32.85 O HETATM 3561 O HOH B1203 -12.056 32.316 20.102 1.00 41.44 O HETATM 3562 O HOH B1204 -3.273 16.583 5.303 1.00 35.95 O HETATM 3563 O HOH B1205 -3.531 13.763 3.921 1.00 47.41 O HETATM 3564 O HOH B1206 8.650 31.148 36.401 1.00 57.39 O HETATM 3565 O HOH B1207 -1.536 40.395 29.743 1.00 60.11 O HETATM 3566 O HOH B1208 -7.686 20.091 3.984 1.00 59.34 O HETATM 3567 O HOH B1209 -12.516 31.442 8.591 1.00 51.08 O HETATM 3568 O HOH B1210 -13.380 10.382 23.661 1.00 61.15 O HETATM 3569 O HOH B1211 1.238 37.655 26.228 1.00 53.92 O HETATM 3570 O HOH B1212 -4.356 9.044 25.398 1.00 51.03 O HETATM 3571 O HOH B1213 -17.493 29.034 25.935 1.00 60.09 O HETATM 3572 O HOH B1214 0.419 35.170 0.049 1.00111.02 O HETATM 3573 O HOH B1215 -0.868 6.416 7.311 1.00 63.06 O HETATM 3574 O HOH B1216 -4.458 39.179 29.456 1.00 54.62 O HETATM 3575 O HOH B1217 -3.140 14.747 27.394 1.00 52.59 O HETATM 3576 O HOH B1218 -10.018 21.001 35.741 1.00 36.65 O HETATM 3577 O HOH B1219 -4.864 16.571 29.181 1.00 51.25 O HETATM 3578 O HOH B1220 -2.056 8.757 27.237 1.00 52.23 O HETATM 3579 O HOH B1221 -14.141 30.640 12.958 1.00 46.44 O HETATM 3580 O HOH B1222 -14.398 33.819 23.610 1.00 55.28 O HETATM 3581 O HOH B1223 -0.235 13.604 6.922 1.00 53.15 O HETATM 3582 O HOH B1224 -5.155 14.390 31.048 1.00 66.74 O HETATM 3583 O HOH B1225 -4.875 6.336 18.173 1.00 69.14 O HETATM 3584 O HOH B1226 8.692 30.325 33.247 1.00 47.32 O HETATM 3585 O HOH B1227 15.014 36.390 28.118 1.00 41.49 O HETATM 3586 O HOH B1228 -0.874 15.863 27.829 1.00 39.19 O HETATM 3587 O HOH B1229 -0.376 18.475 27.540 1.00 24.19 O HETATM 3588 O HOH B1230 17.854 31.228 19.434 1.00 74.41 O HETATM 3589 O HOH B1231 -3.574 19.045 4.233 1.00 50.42 O HETATM 3590 O HOH B1232 -15.865 13.901 18.720 1.00 42.41 O HETATM 3591 O HOH B1233 -2.470 36.599 22.690 1.00 54.41 O HETATM 3592 O HOH B1234 -21.075 5.987 17.387 1.00 74.86 O HETATM 3593 O HOH B1235 -5.694 33.129 23.239 1.00 37.05 O HETATM 3594 O HOH B1236 13.153 32.118 27.976 1.00 29.32 O HETATM 3595 O HOH B1237 4.406 10.639 8.096 1.00 67.93 O HETATM 3596 O HOH B1238 -9.932 21.966 3.694 1.00 69.42 O HETATM 3597 O HOH B1239 6.697 39.535 33.892 1.00 54.13 O HETATM 3598 O HOH B1240 -17.034 31.507 15.927 1.00 67.76 O HETATM 3599 O HOH B1241 -1.759 40.041 41.040 1.00 58.19 O HETATM 3600 O HOH B1242 -4.277 28.620 4.786 1.00 58.03 O HETATM 3601 O HOH B1243 3.343 30.525 3.978 1.00 47.01 O HETATM 3602 O HOH B1244 -7.652 8.152 22.850 1.00 45.37 O HETATM 3603 O HOH B1245 -9.414 20.290 26.593 1.00 45.80 O HETATM 3604 O HOH B1246 -8.845 22.852 26.578 1.00 27.76 O HETATM 3605 O HOH B1247 16.499 26.953 20.160 1.00 42.92 O HETATM 3606 O HOH B1248 -1.408 20.186 3.964 1.00 48.67 O HETATM 3607 O HOH B1249 -2.816 8.913 21.570 1.00 49.34 O HETATM 3608 O HOH B1250 -7.715 32.897 21.234 1.00 31.96 O HETATM 3609 O HOH B1251 -22.869 11.141 1.116 1.00 60.08 O HETATM 3610 O HOH B1252 6.134 12.758 13.005 1.00 56.13 O HETATM 3611 O HOH B1253 -10.034 34.160 16.921 1.00 50.76 O HETATM 3612 O HOH B1254 14.620 45.239 21.313 1.00 50.37 O HETATM 3613 O HOH B1255 -11.573 19.655 24.400 1.00 41.22 O HETATM 3614 O HOH B1256 0.651 18.320 5.283 1.00 36.15 O HETATM 3615 O HOH B1257 9.203 36.487 36.289 1.00 69.23 O HETATM 3616 O HOH B1258 7.462 35.255 38.932 1.00 63.70 O HETATM 3617 O HOH B1259 -4.727 6.848 20.798 1.00 56.63 O HETATM 3618 O HOH B1260 19.515 12.721 7.340 1.00 57.62 O HETATM 3619 O HOH B1261 -12.669 35.318 19.620 1.00 71.60 O HETATM 3620 O HOH B1262 -11.044 35.429 13.650 1.00 79.15 O HETATM 3621 O HOH B1263 -13.033 21.709 27.753 1.00 57.45 O HETATM 3622 O HOH B1264 -7.980 7.257 25.622 1.00 70.58 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 453 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 437 453 454 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