USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZB TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 107) 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 5PZB 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. 2.05 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) : 2.05 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.02 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 27669 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) : 0.162 REMARK 3 R VALUE (WORKING SET) : 0.160 REMARK 3 FREE R VALUE : 0.210 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1420 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.05 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.10 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1992 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.73 REMARK 3 BIN R VALUE (WORKING SET) : 0.2690 REMARK 3 BIN FREE R VALUE SET COUNT : 109 REMARK 3 BIN FREE R VALUE : 0.2810 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) : 37.76 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.47000 REMARK 3 B22 (A**2) : 0.74000 REMARK 3 B33 (A**2) : 0.51000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.41000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.176 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.159 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.117 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.590 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.952 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.018 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.766 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.052 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.486 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;37.704 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.619 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;15.428 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.117 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.008 ; 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 ; 3.890 ; 3.516 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.885 ; 3.511 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 6.082 ; 5.236 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 5PZB 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_1001401301. 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 : 29089 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.050 REMARK 200 RESOLUTION RANGE LOW (A) : 39.020 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.09100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.10 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.1 REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 REMARK 200 R MERGE FOR SHELL (I) : 0.57700 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 63.81000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.74000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.81000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.74000 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 1.72 REMARK 500 NH2 ARG A 803 O HOH A 1001 1.90 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.99 REMARK 500 O HOH A 1164 O HOH A 1239 2.02 REMARK 500 O HOH A 1131 O HOH A 1281 2.10 REMARK 500 O HOH B 1010 O HOH B 1013 2.10 REMARK 500 O HOH A 1152 O HOH A 1164 2.13 REMARK 500 O HOH B 1018 O HOH B 1087 2.14 REMARK 500 O HOH A 1217 O HOH A 1246 2.15 REMARK 500 O HOH B 1157 O HOH B 1169 2.17 REMARK 500 O HOH A 1146 O HOH A 1239 2.18 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 1047 O HOH B 1047 2556 0.88 REMARK 500 O HOH B 1197 O HOH B 1197 2555 1.82 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 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.2 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 -128.39 -105.83 REMARK 500 LYS A 737 96.20 69.16 REMARK 500 ARG A 849 -115.97 49.76 REMARK 500 ASN B 709 18.78 57.06 REMARK 500 ASN B 738 99.77 -173.65 REMARK 500 SER B 757 -162.84 -55.10 REMARK 500 GLN B 758 38.18 -67.95 REMARK 500 TYR B 801 -96.24 -120.41 REMARK 500 GLU B 804 -91.07 -135.94 REMARK 500 ARG B 849 -110.93 53.40 REMARK 500 GLN B 875 135.76 -34.66 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 756 145.96 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 A1316 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH A1317 DISTANCE = 6.30 ANGSTROMS REMARK 525 HOH B1260 DISTANCE = 6.15 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 6.46 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 6.77 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 108.3 REMARK 620 3 HIS A 725 ND1 98.1 96.5 REMARK 620 4 CYS A 728 SG 115.2 119.6 115.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 717 SG REMARK 620 2 CYS A 720 SG 110.5 REMARK 620 3 CYS A 742 SG 105.0 107.7 REMARK 620 4 CYS A 745 SG 104.2 108.4 120.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 113.9 REMARK 620 3 HIS B 725 ND1 102.5 97.8 REMARK 620 4 CYS B 728 SG 111.1 117.0 112.8 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 108.8 REMARK 620 3 CYS B 742 SG 112.7 105.6 REMARK 620 4 CYS B 745 SG 108.6 106.7 114.1 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 5PZB A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZB 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 MET B 768 1 7 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 ALA B 873 1 21 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.41 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.24 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.20 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.20 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.24 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.47 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.35 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.22 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.33 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.14 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.30 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.19 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.35 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.31 CISPEP 1 ILE A 730 PRO A 731 0 -12.76 CISPEP 2 ASN A 738 PRO A 739 0 -9.71 CISPEP 3 ILE B 730 PRO B 731 0 -13.76 CISPEP 4 ASN B 738 PRO B 739 0 11.93 CISPEP 5 ARG B 803 GLU B 804 0 -11.05 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 3 ARG A 753 CYS A 754 GLU A 756 SITE *** AC4 12 ASN A 802 ARG A 803 TYR A 848 HOH A1042 SITE *** AC4 12 HOH A1078 HOH A1104 HOH A1146 HOH A1152 SITE *** AC4 12 HOH A1239 ARG B 753 GLU B 774 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1018 SITE *** AC5 6 HOH A1120 HOH A1246 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 7 ARG A 803 MES A 904 HOH A1083 ARG B 746 SITE *** AC8 7 PRO B 773 GLU B 774 HOH B1001 CRYST1 127.620 45.480 83.420 90.00 102.15 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 0.007836 0.000000 0.001687 0.00000 SCALE2 0.000000 0.021988 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012262 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= -0.0696 X(o=-0.07,f=-0.25) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.07,f=-0.099) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 177:sc= 0.0692 (180deg=-0.00386) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.0798 K(o=0.15,f=-0.9) USER MOD Set 3.1: B 842 HIS : no HD1:sc= -0.659 X(o=1,f=1.3) USER MOD Set 3.2: B 843 ASN : amide:sc= 1.7 K(o=1,f=-0.72) USER MOD Set 4.1: B 813 MET CE :methyl 149:sc= -0.411 (180deg=-0.537) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -153:sc=-0.00207 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -3:sc= 1.27 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.05 K(o=2.3,f=1) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -163:sc= 0.608 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.54 K(o=2.1,f=-1.7) USER MOD Set 7.1: B 771 MET CE :methyl 166:sc= 0 (180deg=-0.165) USER MOD Set 7.2: B 776 GLN : amide:sc= 2.65 K(o=3,f=0.19) USER MOD Set 7.3: B 779 CYS SG : rot 140:sc= 0.311 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.421 K(o=0.9,f=-0.8) USER MOD Set 8.2: B 732 SER OG : rot -119:sc= 0.483 USER MOD Set 9.1: B 716 CYS SG A: rot -69:sc= 0.0138 USER MOD Set 9.2: B 723 SER OG : rot 130:sc= 1.3 USER MOD Set10.1: B 719 THR OG1 : rot 81:sc= 1.84 USER MOD Set10.2: B 741 SER OG : rot -61:sc= 1.3 USER MOD Set11.1: A 791 LYS NZ :NH3+ -167:sc= 1.76 (180deg=0.849) USER MOD Set11.2: A 859 GLN : amide:sc= 0.448 K(o=2.2,f=-0.51) USER MOD Set12.1: A 787 TYR OH : rot -6:sc= 1.24 USER MOD Set12.2: A 816 ASN : amide:sc= 1.53 K(o=2.8,f=0.83) USER MOD Set13.1: A 771 MET CE :methyl 171:sc= 0 (180deg=-0.0918) USER MOD Set13.2: A 779 CYS SG : rot -99:sc= 0.356 USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.542 K(o=1.2,f=-1.5) USER MOD Set14.2: A 732 SER OG : rot -125:sc= 0.618 USER MOD Set15.1: A 719 THR OG1 : rot 70:sc= 2.02 USER MOD Set15.2: A 741 SER OG : rot -63:sc= 1.07 USER MOD Set16.1: A 716 CYS SG : rot -38:sc= 0.196 USER MOD Set16.2: A 723 SER OG : rot 139:sc= 1.05 USER MOD Single : A 701 ASN : amide:sc= 0.0428 X(o=0.043,f=-0.019) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 709 ASN : amide:sc= 0.421 X(o=0.42,f=0.055) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.65 K(o=1.6,f=-8.1!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 738 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.4!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 THR OG1 : rot 73:sc= 0.119 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 754 CYS SG A: rot 4:sc= 0.421 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.54 USER MOD Single : A 757 SER OG : rot -80:sc= 1.25 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0.0063) USER MOD Single : A 759 SER OG : rot 87:sc= 1.05 USER MOD Single : A 761 HIS : no HE2:sc= -0.373 K(o=-0.37,f=-2) USER MOD Single : A 762 GLN : amide:sc= 0.527 X(o=0.53,f=0.24) USER MOD Single : A 764 SER OG : rot -84:sc= 0.645 USER MOD Single : A 768 MET CE :methyl 174:sc= -0.0186 (180deg=-0.104) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 776 GLN : amide:sc= 3.02 K(o=3,f=0.084) USER MOD Single : A 778 LYS NZ A:NH3+ -120:sc= -0.903 (180deg=-2.7) USER MOD Single : A 778 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 62:sc= 0.112 USER MOD Single : A 790 SER OG : rot 180:sc= 0 USER MOD Single : A 792 SER OG : rot -86:sc= 1.63 USER MOD Single : A 793 CYS SG : rot -86:sc= -0.151 USER MOD Single : A 797 SER OG : rot -54:sc= 0.62 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 28:sc= 2.46 USER MOD Single : A 802 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.98) USER MOD Single : A 806 SER OG : rot -154:sc= 0.876 USER MOD Single : A 807 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.73) USER MOD Single : A 810 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.035) USER MOD Single : A 811 LYS NZ :NH3+ -153:sc= 0.157 (180deg=0.0368) USER MOD Single : A 813 MET CE :methyl 171:sc= 0 (180deg=-0.0934) USER MOD Single : A 817 LYS NZ :NH3+ 171:sc=-0.00721 (180deg=-0.11) USER MOD Single : A 819 LYS NZ :NH3+ 168:sc= 0.682 (180deg=0.603) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 SER OG : rot 75:sc= 1.19 USER MOD Single : A 823 ASN : amide:sc= 0.323 K(o=0.32,f=-2.4!) USER MOD Single : A 825 GLN : amide:sc= 1.15 K(o=1.1,f=0.55) USER MOD Single : A 826 MET CE A:methyl -155:sc= -0.231 (180deg=-0.855) USER MOD Single : A 826 MET CE B:methyl -133:sc= -2.62 (180deg=-3.36!) USER MOD Single : A 827 TYR OH : rot -2:sc= 1.46 USER MOD Single : A 828 THR OG1 : rot -84:sc= 0.00278 USER MOD Single : A 835 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 837 MET CE :methyl -155:sc=-0.00543 (180deg=-0.11) USER MOD Single : A 842 HIS : no HE2:sc= 1.54 K(o=1.5,f=-6.2!) USER MOD Single : A 843 ASN : amide:sc= 3.07 K(o=3.1,f=0.84) USER MOD Single : A 844 HIS : no HD1:sc= 1.41 K(o=1.4,f=-3.4!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ -137:sc= -0.155 (180deg=-1.13!) USER MOD Single : A 848 TYR OH : rot 30:sc= 1.11 USER MOD Single : A 852 LYS NZ :NH3+ -160:sc= 0.833 (180deg=0.48) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -80:sc= 0.0817 USER MOD Single : A 861 GLN : amide:sc= 0.00509 X(o=0.0051,f=-0.049) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 1.93 K(o=1.9,f=0.96) USER MOD Single : A 870 ASN : amide:sc= 0.989 K(o=0.99,f=0.056) USER MOD Single : A 875 GLN : amide:sc= 0.204 X(o=0.2,f=-0.11) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 905 EDO O1 : rot -66:sc= 1.19 USER MOD Single : A 905 EDO O2 : rot -160:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : B 702 SER OG : rot 171:sc= 0.0525 USER MOD Single : B 703 ASN : amide:sc= 0.325 K(o=0.32,f=-4.3!) USER MOD Single : B 709 ASN : amide:sc= 0.162 X(o=0.16,f=0.0038) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 12:sc= 0.855 USER MOD Single : B 729 HIS : no HE2:sc= 1.3 K(o=1.3,f=-7.8!) USER MOD Single : B 736 ASN : amide:sc= -0.675 K(o=-0.67,f=-4.3!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.067) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 76:sc= 0.0194 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.315 K(o=0.32,f=-1.3) 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 146:sc= -0.61 (180deg=-1.3) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 63:sc= 0.0709 USER MOD Single : B 790 SER OG : rot 180:sc= 0 USER MOD Single : B 792 SER OG : rot -87:sc= 1.84 USER MOD Single : B 793 CYS SG : rot -83:sc= -0.0333 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.153 USER MOD Single : B 801 TYR OH : rot 42:sc= 0.666 USER MOD Single : B 802 ASN : amide:sc= 0.245 X(o=0.25,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -171:sc= 0.132 (180deg=0.112) USER MOD Single : B 819 LYS NZ :NH3+ -167:sc= 0.329 (180deg=0.201) USER MOD Single : B 820 THR OG1 : rot 150:sc= 1.29 USER MOD Single : B 821 SER OG : rot 74:sc= 0.377 USER MOD Single : B 823 ASN : amide:sc= 0.145 K(o=0.15,f=-2.7!) USER MOD Single : B 825 GLN : amide:sc= 1.78 K(o=1.8,f=-3.5!) USER MOD Single : B 826 MET CE A:methyl -170:sc= -0.0021 (180deg=-0.107) USER MOD Single : B 826 MET CE B:methyl 169:sc= -0.167 (180deg=-0.328) USER MOD Single : B 827 TYR OH : rot -2:sc= 1.38 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0.00056 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 837 MET CE :methyl -164:sc= -0.122 (180deg=-0.174) USER MOD Single : B 844 HIS : no HD1:sc= 1.32 K(o=1.3,f=-4.2!) USER MOD Single : B 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.478 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= 1.29 USER MOD Single : B 861 GLN : amide:sc= 0.201 X(o=0.2,f=-0.27) USER MOD Single : B 866 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.12) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 72:sc= 1.1 USER MOD Single : B 903 EDO O2 : rot -24:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.488 -4.982 -4.046 1.00 58.81 N ATOM 2 CA ASN A 701 15.072 -4.026 -3.047 1.00 63.20 C ATOM 3 C ASN A 701 14.075 -2.966 -2.550 1.00 63.72 C ATOM 4 O ASN A 701 13.136 -2.579 -3.261 1.00 57.74 O ATOM 5 CB ASN A 701 16.332 -3.327 -3.584 1.00 66.62 C ATOM 6 CG ASN A 701 17.510 -4.266 -3.686 1.00 75.52 C ATOM 7 OD1 ASN A 701 17.644 -4.964 -4.683 1.00 82.28 O ATOM 8 ND2 ASN A 701 18.370 -4.298 -2.655 1.00 70.97 N ATOM 0 HA ASN A 701 15.311 -4.582 -2.289 1.00 63.20 H new ATOM 0 HB2 ASN A 701 16.143 -2.952 -4.459 1.00 66.62 H new ATOM 0 HB3 ASN A 701 16.561 -2.586 -3.001 1.00 66.62 H new ATOM 0 HD21 ASN A 701 19.049 -4.825 -2.678 1.00 70.97 H new ATOM 0 HD22 ASN A 701 18.241 -3.792 -1.972 1.00 70.97 H new ATOM 9 N SER A 702 14.301 -2.504 -1.323 1.00 57.55 N ATOM 10 CA SER A 702 13.526 -1.416 -0.748 1.00 52.77 C ATOM 11 C SER A 702 13.690 -0.114 -1.579 1.00 50.96 C ATOM 12 O SER A 702 14.726 0.125 -2.206 1.00 48.37 O ATOM 13 CB SER A 702 13.942 -1.203 0.722 1.00 51.28 C ATOM 14 OG SER A 702 13.042 -0.348 1.429 1.00 50.55 O ATOM 0 H SER A 702 14.910 -2.815 -0.802 1.00 57.55 H new ATOM 0 HA SER A 702 12.586 -1.652 -0.771 1.00 52.77 H new ATOM 0 HB2 SER A 702 13.986 -2.062 1.170 1.00 51.28 H new ATOM 0 HB3 SER A 702 14.834 -0.823 0.750 1.00 51.28 H new ATOM 0 HG SER A 702 13.304 -0.260 2.222 1.00 50.55 H new ATOM 15 N ASN A 703 12.642 0.710 -1.579 1.00 52.80 N ATOM 16 CA ASN A 703 12.614 1.999 -2.275 1.00 57.12 C ATOM 17 C ASN A 703 12.900 3.148 -1.360 1.00 46.95 C ATOM 18 O ASN A 703 12.854 4.282 -1.836 1.00 39.25 O ATOM 19 CB ASN A 703 11.226 2.286 -2.897 1.00 69.22 C ATOM 20 CG ASN A 703 10.628 1.078 -3.569 1.00 88.86 C ATOM 21 OD1 ASN A 703 11.332 0.288 -4.216 1.00109.41 O ATOM 22 ND2 ASN A 703 9.327 0.901 -3.396 1.00101.51 N ATOM 0 H ASN A 703 11.910 0.531 -1.165 1.00 52.80 H new ATOM 0 HA ASN A 703 13.299 1.926 -2.958 1.00 57.12 H new ATOM 0 HB2 ASN A 703 10.623 2.597 -2.204 1.00 69.22 H new ATOM 0 HB3 ASN A 703 11.308 3.004 -3.544 1.00 69.22 H new ATOM 0 HD21 ASN A 703 8.937 0.216 -3.739 1.00101.51 H new ATOM 0 HD22 ASN A 703 8.872 1.471 -2.941 1.00101.51 H new ATOM 23 N ILE A 704 13.165 2.876 -0.067 1.00 43.45 N ATOM 24 CA ILE A 704 13.602 3.906 0.894 1.00 40.46 C ATOM 25 C ILE A 704 14.920 3.485 1.587 1.00 35.45 C ATOM 26 O ILE A 704 15.211 2.315 1.739 1.00 33.88 O ATOM 27 CB ILE A 704 12.467 4.267 1.909 1.00 44.01 C ATOM 28 CG1 ILE A 704 11.980 3.044 2.690 1.00 45.00 C ATOM 29 CG2 ILE A 704 11.261 4.844 1.147 1.00 47.16 C ATOM 30 CD1 ILE A 704 10.979 3.331 3.807 1.00 46.66 C ATOM 0 H ILE A 704 13.096 2.090 0.274 1.00 43.45 H new ATOM 0 HA ILE A 704 13.789 4.722 0.403 1.00 40.46 H new ATOM 0 HB ILE A 704 12.838 4.911 2.532 1.00 44.01 H new ATOM 0 HG12 ILE A 704 11.574 2.422 2.066 1.00 45.00 H new ATOM 0 HG13 ILE A 704 12.751 2.598 3.075 1.00 45.00 H new ATOM 0 HG21 ILE A 704 10.557 5.068 1.776 1.00 47.16 H new ATOM 0 HG22 ILE A 704 11.532 5.643 0.668 1.00 47.16 H new ATOM 0 HG23 ILE A 704 10.932 4.185 0.515 1.00 47.16 H new ATOM 0 HD11 ILE A 704 10.731 2.500 4.241 1.00 46.66 H new ATOM 0 HD12 ILE A 704 11.382 3.927 4.457 1.00 46.66 H new ATOM 0 HD13 ILE A 704 10.187 3.749 3.433 1.00 46.66 H new ATOM 31 N CYS A 705 15.689 4.473 1.990 1.00 36.54 N ATOM 32 CA CYS A 705 16.903 4.295 2.793 1.00 34.01 C ATOM 33 C CYS A 705 16.564 3.592 4.113 1.00 30.64 C ATOM 34 O CYS A 705 15.629 3.934 4.801 1.00 29.50 O ATOM 35 CB CYS A 705 17.531 5.637 3.030 1.00 35.62 C ATOM 36 SG CYS A 705 19.053 5.572 4.030 1.00 31.79 S ATOM 0 H CYS A 705 15.523 5.296 1.804 1.00 36.54 H new ATOM 0 HA CYS A 705 17.537 3.734 2.319 1.00 34.01 H new ATOM 0 HB2 CYS A 705 17.734 6.045 2.174 1.00 35.62 H new ATOM 0 HB3 CYS A 705 16.888 6.212 3.473 1.00 35.62 H new ATOM 37 N GLU A 706 17.328 2.575 4.432 1.00 30.55 N ATOM 38 CA GLU A 706 17.120 1.813 5.630 1.00 31.46 C ATOM 39 C GLU A 706 17.329 2.644 6.878 1.00 26.19 C ATOM 40 O GLU A 706 16.738 2.366 7.847 1.00 24.21 O ATOM 41 CB GLU A 706 18.108 0.639 5.618 1.00 33.79 C ATOM 42 CG GLU A 706 17.956 -0.342 6.742 1.00 35.13 C ATOM 43 CD GLU A 706 16.820 -1.282 6.551 1.00 40.32 C ATOM 44 OE1 GLU A 706 16.096 -1.200 5.571 1.00 49.13 O ATOM 45 OE2 GLU A 706 16.666 -2.147 7.383 1.00 44.73 O ATOM 0 H GLU A 706 17.989 2.305 3.953 1.00 30.55 H new ATOM 0 HA GLU A 706 16.202 1.501 5.648 1.00 31.46 H new ATOM 0 HB2 GLU A 706 18.011 0.163 4.778 1.00 33.79 H new ATOM 0 HB3 GLU A 706 19.010 0.995 5.640 1.00 33.79 H new ATOM 0 HG2 GLU A 706 18.777 -0.851 6.833 1.00 35.13 H new ATOM 0 HG3 GLU A 706 17.830 0.144 7.572 1.00 35.13 H new ATOM 46 N VAL A 707 18.199 3.643 6.815 1.00 24.93 N ATOM 47 CA VAL A 707 18.612 4.416 7.951 1.00 27.28 C ATOM 48 C VAL A 707 17.640 5.589 8.201 1.00 31.80 C ATOM 49 O VAL A 707 17.133 5.729 9.308 1.00 28.87 O ATOM 50 CB VAL A 707 20.049 4.940 7.783 1.00 24.75 C ATOM 51 CG1 VAL A 707 20.500 5.720 8.970 1.00 25.84 C ATOM 52 CG2 VAL A 707 21.031 3.765 7.584 1.00 26.40 C ATOM 0 H VAL A 707 18.572 3.890 6.081 1.00 24.93 H new ATOM 0 HA VAL A 707 18.595 3.829 8.723 1.00 27.28 H new ATOM 0 HB VAL A 707 20.044 5.519 7.005 1.00 24.75 H new ATOM 0 HG11 VAL A 707 21.407 6.032 8.827 1.00 25.84 H new ATOM 0 HG12 VAL A 707 19.913 6.481 9.099 1.00 25.84 H new ATOM 0 HG13 VAL A 707 20.474 5.155 9.758 1.00 25.84 H new ATOM 0 HG21 VAL A 707 21.932 4.110 7.480 1.00 26.40 H new ATOM 0 HG22 VAL A 707 20.997 3.180 8.357 1.00 26.40 H new ATOM 0 HG23 VAL A 707 20.782 3.266 6.790 1.00 26.40 H new ATOM 53 N CYS A 708 17.412 6.423 7.181 1.00 31.22 N ATOM 54 CA CYS A 708 16.629 7.673 7.354 1.00 30.75 C ATOM 55 C CYS A 708 15.184 7.552 6.838 1.00 32.53 C ATOM 56 O CYS A 708 14.410 8.522 6.953 1.00 36.98 O ATOM 57 CB CYS A 708 17.371 8.828 6.706 1.00 29.06 C ATOM 58 SG CYS A 708 17.224 8.763 4.915 1.00 30.93 S ATOM 0 H CYS A 708 17.697 6.291 6.381 1.00 31.22 H new ATOM 0 HA CYS A 708 16.545 7.846 8.305 1.00 30.75 H new ATOM 0 HB2 CYS A 708 17.016 9.669 7.033 1.00 29.06 H new ATOM 0 HB3 CYS A 708 18.307 8.798 6.959 1.00 29.06 H new ATOM 59 N ASN A 709 14.818 6.367 6.327 1.00 34.48 N ATOM 60 CA ASN A 709 13.503 6.086 5.731 1.00 36.49 C ATOM 61 C ASN A 709 12.976 7.017 4.611 1.00 39.68 C ATOM 62 O ASN A 709 11.754 7.082 4.415 1.00 38.34 O ATOM 63 CB ASN A 709 12.482 6.013 6.835 1.00 37.89 C ATOM 64 CG ASN A 709 12.869 4.990 7.852 1.00 46.99 C ATOM 65 OD1 ASN A 709 13.442 5.322 8.897 1.00 50.01 O ATOM 66 ND2 ASN A 709 12.669 3.729 7.514 1.00 50.25 N ATOM 0 H ASN A 709 15.344 5.686 6.318 1.00 34.48 H new ATOM 0 HA ASN A 709 13.643 5.248 5.263 1.00 36.49 H new ATOM 0 HB2 ASN A 709 12.397 6.881 7.260 1.00 37.89 H new ATOM 0 HB3 ASN A 709 11.613 5.793 6.463 1.00 37.89 H new ATOM 0 HD21 ASN A 709 12.942 3.097 8.030 1.00 50.25 H new ATOM 0 HD22 ASN A 709 12.266 3.540 6.778 1.00 50.25 H new ATOM 67 N LYS A 710 13.884 7.716 3.907 1.00 36.58 N ATOM 68 CA LYS A 710 13.563 8.622 2.791 1.00 37.86 C ATOM 69 C LYS A 710 14.015 7.983 1.453 1.00 43.30 C ATOM 70 O LYS A 710 14.982 7.181 1.386 1.00 34.21 O ATOM 71 CB LYS A 710 14.268 9.952 2.936 1.00 37.28 C ATOM 72 CG LYS A 710 13.882 10.731 4.188 1.00 42.14 C ATOM 73 CD LYS A 710 12.433 11.161 4.145 1.00 44.49 C ATOM 74 CE LYS A 710 12.115 12.258 5.158 1.00 49.93 C ATOM 75 NZ LYS A 710 11.889 11.698 6.513 1.00 56.40 N ATOM 0 H LYS A 710 14.727 7.673 4.072 1.00 36.58 H new ATOM 0 HA LYS A 710 12.604 8.767 2.800 1.00 37.86 H new ATOM 0 HB2 LYS A 710 15.226 9.800 2.945 1.00 37.28 H new ATOM 0 HB3 LYS A 710 14.074 10.496 2.156 1.00 37.28 H new ATOM 0 HG2 LYS A 710 14.035 10.182 4.973 1.00 42.14 H new ATOM 0 HG3 LYS A 710 14.451 11.512 4.273 1.00 42.14 H new ATOM 0 HD2 LYS A 710 12.220 11.477 3.253 1.00 44.49 H new ATOM 0 HD3 LYS A 710 11.866 10.393 4.317 1.00 44.49 H new ATOM 0 HE2 LYS A 710 12.846 12.895 5.188 1.00 49.93 H new ATOM 0 HE3 LYS A 710 11.326 12.745 4.872 1.00 49.93 H new ATOM 0 HZ1 LYS A 710 11.706 12.359 7.081 1.00 56.40 H new ATOM 0 HZ2 LYS A 710 11.204 11.130 6.489 1.00 56.40 H new ATOM 0 HZ3 LYS A 710 12.621 11.269 6.783 1.00 56.40 H new ATOM 76 N TRP A 711 13.329 8.375 0.384 1.00 39.01 N ATOM 77 CA TRP A 711 13.703 8.025 -0.963 1.00 36.74 C ATOM 78 C TRP A 711 14.796 8.995 -1.360 1.00 34.47 C ATOM 79 O TRP A 711 15.235 9.838 -0.544 1.00 39.58 O ATOM 80 CB TRP A 711 12.457 8.042 -1.882 1.00 40.86 C ATOM 81 CG TRP A 711 12.720 7.735 -3.296 1.00 37.66 C ATOM 82 CD1 TRP A 711 13.055 6.541 -3.817 1.00 38.19 C ATOM 83 CD2 TRP A 711 12.717 8.663 -4.371 1.00 34.84 C ATOM 84 NE1 TRP A 711 13.271 6.654 -5.157 1.00 36.76 N ATOM 85 CE2 TRP A 711 13.050 7.954 -5.525 1.00 35.22 C ATOM 86 CE3 TRP A 711 12.420 10.020 -4.475 1.00 33.73 C ATOM 87 CZ2 TRP A 711 13.106 8.559 -6.780 1.00 36.08 C ATOM 88 CZ3 TRP A 711 12.479 10.612 -5.719 1.00 35.30 C ATOM 89 CH2 TRP A 711 12.800 9.885 -6.851 1.00 30.41 C ATOM 0 H TRP A 711 12.621 8.861 0.431 1.00 39.01 H new ATOM 0 HA TRP A 711 14.049 7.122 -1.043 1.00 36.74 H new ATOM 0 HB2 TRP A 711 11.812 7.402 -1.541 1.00 40.86 H new ATOM 0 HB3 TRP A 711 12.044 8.918 -1.827 1.00 40.86 H new ATOM 0 HD1 TRP A 711 13.129 5.751 -3.332 1.00 38.19 H new ATOM 0 HE1 TRP A 711 13.507 6.016 -5.683 1.00 36.76 H new ATOM 0 HE3 TRP A 711 12.187 10.515 -3.723 1.00 33.73 H new ATOM 0 HZ2 TRP A 711 13.343 8.076 -7.539 1.00 36.08 H new ATOM 0 HZ3 TRP A 711 12.299 11.521 -5.799 1.00 35.30 H new ATOM 0 HH2 TRP A 711 12.807 10.310 -7.678 1.00 30.41 H new ATOM 90 N GLY A 712 15.357 8.766 -2.551 1.00 34.65 N ATOM 91 CA GLY A 712 16.422 9.582 -3.095 1.00 32.16 C ATOM 92 C GLY A 712 17.360 8.696 -3.926 1.00 32.87 C ATOM 93 O GLY A 712 16.959 7.634 -4.444 1.00 33.72 O ATOM 0 H GLY A 712 15.119 8.120 -3.066 1.00 34.65 H new ATOM 0 HA2 GLY A 712 16.053 10.289 -3.647 1.00 32.16 H new ATOM 0 HA3 GLY A 712 16.915 10.010 -2.378 1.00 32.16 H new ATOM 94 N ARG A 713 18.603 9.139 -4.047 1.00 34.01 N ATOM 95 CA ARG A 713 19.672 8.368 -4.680 1.00 37.56 C ATOM 96 C ARG A 713 20.112 7.221 -3.745 1.00 37.67 C ATOM 97 O ARG A 713 20.904 7.418 -2.851 1.00 38.69 O ATOM 98 CB ARG A 713 20.868 9.267 -5.008 1.00 42.64 C ATOM 99 CG ARG A 713 22.008 8.547 -5.736 1.00 52.26 C ATOM 100 CD ARG A 713 21.592 8.001 -7.105 1.00 66.01 C ATOM 101 NE ARG A 713 22.587 7.110 -7.714 1.00 74.49 N ATOM 102 CZ ARG A 713 22.492 5.781 -7.866 1.00 77.20 C ATOM 103 NH1 ARG A 713 23.501 5.130 -8.435 1.00 75.94 N ATOM 104 NH2 ARG A 713 21.433 5.081 -7.459 1.00 77.62 N ATOM 0 H ARG A 713 18.857 9.909 -3.760 1.00 34.01 H new ATOM 0 HA ARG A 713 19.335 7.994 -5.509 1.00 37.56 H new ATOM 0 HB2 ARG A 713 20.564 10.007 -5.556 1.00 42.64 H new ATOM 0 HB3 ARG A 713 21.211 9.646 -4.184 1.00 42.64 H new ATOM 0 HG2 ARG A 713 22.751 9.160 -5.850 1.00 52.26 H new ATOM 0 HG3 ARG A 713 22.326 7.815 -5.184 1.00 52.26 H new ATOM 0 HD2 ARG A 713 20.754 7.521 -7.012 1.00 66.01 H new ATOM 0 HD3 ARG A 713 21.427 8.746 -7.704 1.00 66.01 H new ATOM 0 HE ARG A 713 23.307 7.480 -8.004 1.00 74.49 H new ATOM 0 HH11 ARG A 713 24.197 5.561 -8.697 1.00 75.94 H new ATOM 0 HH12 ARG A 713 23.458 4.278 -8.541 1.00 75.94 H new ATOM 0 HH21 ARG A 713 20.773 5.481 -7.081 1.00 77.62 H new ATOM 0 HH22 ARG A 713 21.410 4.229 -7.575 1.00 77.62 H new ATOM 105 N LEU A 714 19.563 6.046 -3.981 1.00 36.52 N ATOM 106 CA LEU A 714 19.793 4.849 -3.209 1.00 39.96 C ATOM 107 C LEU A 714 20.762 3.904 -3.912 1.00 45.04 C ATOM 108 O LEU A 714 20.677 3.716 -5.123 1.00 42.75 O ATOM 109 CB LEU A 714 18.464 4.110 -3.011 1.00 34.84 C ATOM 110 CG LEU A 714 17.444 4.968 -2.275 1.00 34.79 C ATOM 111 CD1 LEU A 714 16.180 4.192 -2.118 1.00 35.68 C ATOM 112 CD2 LEU A 714 17.925 5.472 -0.935 1.00 36.76 C ATOM 0 H LEU A 714 19.016 5.920 -4.633 1.00 36.52 H new ATOM 0 HA LEU A 714 20.176 5.116 -2.359 1.00 39.96 H new ATOM 0 HB2 LEU A 714 18.106 3.851 -3.875 1.00 34.84 H new ATOM 0 HB3 LEU A 714 18.620 3.293 -2.512 1.00 34.84 H new ATOM 0 HG LEU A 714 17.295 5.761 -2.813 1.00 34.79 H new ATOM 0 HD11 LEU A 714 15.524 4.732 -1.650 1.00 35.68 H new ATOM 0 HD12 LEU A 714 15.836 3.953 -2.993 1.00 35.68 H new ATOM 0 HD13 LEU A 714 16.356 3.385 -1.609 1.00 35.68 H new ATOM 0 HD21 LEU A 714 17.230 6.009 -0.522 1.00 36.76 H new ATOM 0 HD22 LEU A 714 18.134 4.718 -0.362 1.00 36.76 H new ATOM 0 HD23 LEU A 714 18.720 6.013 -1.059 1.00 36.76 H new ATOM 113 N PHE A 715 21.673 3.325 -3.125 1.00 45.09 N ATOM 114 CA PHE A 715 22.466 2.137 -3.506 1.00 39.97 C ATOM 115 C PHE A 715 21.877 0.844 -2.924 1.00 37.26 C ATOM 116 O PHE A 715 21.519 0.776 -1.749 1.00 43.23 O ATOM 117 CB PHE A 715 23.862 2.378 -3.068 1.00 40.00 C ATOM 118 CG PHE A 715 24.441 3.616 -3.651 1.00 43.69 C ATOM 119 CD1 PHE A 715 25.102 3.575 -4.882 1.00 46.15 C ATOM 120 CD2 PHE A 715 24.298 4.828 -3.025 1.00 50.95 C ATOM 121 CE1 PHE A 715 25.648 4.717 -5.436 1.00 48.53 C ATOM 122 CE2 PHE A 715 24.833 5.982 -3.580 1.00 52.66 C ATOM 123 CZ PHE A 715 25.518 5.925 -4.795 1.00 53.14 C ATOM 0 H PHE A 715 21.855 3.615 -2.336 1.00 45.09 H new ATOM 0 HA PHE A 715 22.444 2.009 -4.467 1.00 39.97 H new ATOM 0 HB2 PHE A 715 23.887 2.438 -2.100 1.00 40.00 H new ATOM 0 HB3 PHE A 715 24.411 1.619 -3.319 1.00 40.00 H new ATOM 0 HD1 PHE A 715 25.175 2.766 -5.335 1.00 46.15 H new ATOM 0 HD2 PHE A 715 23.837 4.877 -2.219 1.00 50.95 H new ATOM 0 HE1 PHE A 715 26.105 4.668 -6.245 1.00 48.53 H new ATOM 0 HE2 PHE A 715 24.735 6.796 -3.141 1.00 52.66 H new ATOM 0 HZ PHE A 715 25.882 6.696 -5.166 1.00 53.14 H new ATOM 124 N CYS A 716 21.762 -0.205 -3.724 1.00 38.92 N ATOM 125 CA CYS A 716 21.059 -1.401 -3.309 1.00 41.65 C ATOM 126 C CYS A 716 22.005 -2.522 -2.879 1.00 44.98 C ATOM 127 O CYS A 716 23.042 -2.719 -3.477 1.00 48.18 O ATOM 128 CB CYS A 716 20.120 -1.892 -4.413 1.00 51.62 C ATOM 129 SG CYS A 716 18.525 -1.021 -4.580 1.00 56.37 S ATOM 0 H CYS A 716 22.088 -0.242 -4.519 1.00 38.92 H new ATOM 0 HA CYS A 716 20.534 -1.157 -2.531 1.00 41.65 H new ATOM 0 HB2 CYS A 716 20.589 -1.829 -5.260 1.00 51.62 H new ATOM 0 HB3 CYS A 716 19.937 -2.832 -4.259 1.00 51.62 H new ATOM 0 HG CYS A 716 18.105 -0.742 -3.491 1.00 56.37 H new ATOM 130 N CYS A 717 21.646 -3.239 -1.818 1.00 45.75 N ATOM 131 CA CYS A 717 22.462 -4.364 -1.404 1.00 49.83 C ATOM 132 C CYS A 717 22.226 -5.519 -2.402 1.00 47.34 C ATOM 133 O CYS A 717 21.067 -5.814 -2.760 1.00 46.01 O ATOM 134 CB CYS A 717 22.110 -4.797 0.016 1.00 44.28 C ATOM 135 SG CYS A 717 23.225 -6.038 0.721 1.00 38.85 S ATOM 0 H CYS A 717 20.949 -3.092 -1.336 1.00 45.75 H new ATOM 0 HA CYS A 717 23.398 -4.111 -1.403 1.00 49.83 H new ATOM 0 HB2 CYS A 717 22.111 -4.015 0.590 1.00 44.28 H new ATOM 0 HB3 CYS A 717 21.207 -5.151 0.020 1.00 44.28 H new ATOM 136 N ASP A 718 23.297 -6.214 -2.775 1.00 45.92 N ATOM 137 CA ASP A 718 23.148 -7.416 -3.628 1.00 49.25 C ATOM 138 C ASP A 718 22.771 -8.683 -2.884 1.00 53.09 C ATOM 139 O ASP A 718 22.353 -9.639 -3.512 1.00 69.92 O ATOM 140 CB ASP A 718 24.368 -7.592 -4.517 1.00 47.15 C ATOM 141 CG ASP A 718 24.437 -6.538 -5.585 1.00 50.35 C ATOM 142 OD1 ASP A 718 23.420 -6.408 -6.296 1.00 60.38 O ATOM 143 OD2 ASP A 718 25.457 -5.804 -5.711 1.00 53.03 O ATOM 0 H ASP A 718 24.106 -6.021 -2.556 1.00 45.92 H new ATOM 0 HA ASP A 718 22.378 -7.252 -4.194 1.00 49.25 H new ATOM 0 HB2 ASP A 718 25.171 -7.556 -3.975 1.00 47.15 H new ATOM 0 HB3 ASP A 718 24.344 -8.469 -4.930 1.00 47.15 H new ATOM 144 N THR A 719 22.843 -8.703 -1.559 1.00 49.40 N ATOM 145 CA THR A 719 22.574 -9.944 -0.825 1.00 43.71 C ATOM 146 C THR A 719 21.454 -9.842 0.138 1.00 43.85 C ATOM 147 O THR A 719 21.158 -10.796 0.840 1.00 48.05 O ATOM 148 CB THR A 719 23.843 -10.433 -0.107 1.00 50.52 C ATOM 149 OG1 THR A 719 24.504 -9.343 0.561 1.00 45.86 O ATOM 150 CG2 THR A 719 24.796 -11.015 -1.159 1.00 52.20 C ATOM 0 H THR A 719 23.042 -8.025 -1.069 1.00 49.40 H new ATOM 0 HA THR A 719 22.301 -10.591 -1.494 1.00 43.71 H new ATOM 0 HB THR A 719 23.598 -11.100 0.553 1.00 50.52 H new ATOM 0 HG1 THR A 719 24.045 -9.099 1.221 1.00 45.86 H new ATOM 0 HG21 THR A 719 25.604 -11.330 -0.725 1.00 52.20 H new ATOM 0 HG22 THR A 719 24.364 -11.756 -1.613 1.00 52.20 H new ATOM 0 HG23 THR A 719 25.023 -10.328 -1.805 1.00 52.20 H new ATOM 151 N CYS A 720 20.816 -8.689 0.214 1.00 41.99 N ATOM 152 CA CYS A 720 19.571 -8.573 0.994 1.00 43.05 C ATOM 153 C CYS A 720 18.806 -7.465 0.330 1.00 34.86 C ATOM 154 O CYS A 720 19.382 -6.769 -0.457 1.00 41.01 O ATOM 155 CB CYS A 720 19.828 -8.257 2.492 1.00 42.12 C ATOM 156 SG CYS A 720 20.310 -6.534 2.864 1.00 36.13 S ATOM 0 H CYS A 720 21.073 -7.963 -0.169 1.00 41.99 H new ATOM 0 HA CYS A 720 19.084 -9.412 1.000 1.00 43.05 H new ATOM 0 HB2 CYS A 720 19.024 -8.466 2.993 1.00 42.12 H new ATOM 0 HB3 CYS A 720 20.526 -8.848 2.816 1.00 42.12 H new ATOM 157 N PRO A 721 17.543 -7.270 0.703 1.00 42.34 N ATOM 158 CA PRO A 721 16.746 -6.201 0.083 1.00 40.28 C ATOM 159 C PRO A 721 16.885 -4.753 0.625 1.00 48.50 C ATOM 160 O PRO A 721 16.063 -3.907 0.247 1.00 48.77 O ATOM 161 CB PRO A 721 15.310 -6.691 0.275 1.00 38.28 C ATOM 162 CG PRO A 721 15.338 -7.607 1.460 1.00 39.70 C ATOM 163 CD PRO A 721 16.770 -8.042 1.711 1.00 37.59 C ATOM 0 HA PRO A 721 17.058 -6.085 -0.828 1.00 40.28 H new ATOM 0 HB2 PRO A 721 14.707 -5.946 0.426 1.00 38.28 H new ATOM 0 HB3 PRO A 721 14.994 -7.156 -0.515 1.00 38.28 H new ATOM 0 HG2 PRO A 721 14.983 -7.155 2.242 1.00 39.70 H new ATOM 0 HG3 PRO A 721 14.776 -8.381 1.299 1.00 39.70 H new ATOM 0 HD2 PRO A 721 17.054 -7.835 2.615 1.00 37.59 H new ATOM 0 HD3 PRO A 721 16.880 -8.998 1.591 1.00 37.59 H new ATOM 164 N ARG A 722 17.908 -4.422 1.422 1.00 39.98 N ATOM 165 CA ARG A 722 18.005 -3.048 1.938 1.00 35.70 C ATOM 166 C ARG A 722 18.631 -2.116 0.955 1.00 31.72 C ATOM 167 O ARG A 722 19.424 -2.528 0.091 1.00 31.65 O ATOM 168 CB ARG A 722 18.822 -2.991 3.236 1.00 34.98 C ATOM 169 CG ARG A 722 18.258 -3.848 4.347 1.00 33.82 C ATOM 170 CD ARG A 722 19.206 -3.913 5.531 1.00 32.91 C ATOM 171 NE ARG A 722 18.594 -4.630 6.647 1.00 32.79 N ATOM 172 CZ ARG A 722 18.769 -5.915 6.898 1.00 32.22 C ATOM 173 NH1 ARG A 722 19.530 -6.671 6.103 1.00 38.55 N ATOM 174 NH2 ARG A 722 18.194 -6.449 7.935 1.00 34.34 N ATOM 0 H ARG A 722 18.536 -4.956 1.669 1.00 39.98 H new ATOM 0 HA ARG A 722 17.092 -2.767 2.107 1.00 35.70 H new ATOM 0 HB2 ARG A 722 19.731 -3.274 3.049 1.00 34.98 H new ATOM 0 HB3 ARG A 722 18.868 -2.071 3.540 1.00 34.98 H new ATOM 0 HG2 ARG A 722 17.404 -3.488 4.634 1.00 33.82 H new ATOM 0 HG3 ARG A 722 18.091 -4.744 4.014 1.00 33.82 H new ATOM 0 HD2 ARG A 722 20.028 -4.356 5.268 1.00 32.91 H new ATOM 0 HD3 ARG A 722 19.444 -3.015 5.810 1.00 32.91 H new ATOM 0 HE ARG A 722 18.084 -4.185 7.177 1.00 32.79 H new ATOM 0 HH11 ARG A 722 19.914 -6.322 5.417 1.00 38.55 H new ATOM 0 HH12 ARG A 722 19.636 -7.506 6.277 1.00 38.55 H new ATOM 0 HH21 ARG A 722 17.704 -5.966 8.451 1.00 34.34 H new ATOM 0 HH22 ARG A 722 18.304 -7.285 8.104 1.00 34.34 H new ATOM 175 N SER A 723 18.339 -0.833 1.118 1.00 30.02 N ATOM 176 CA SER A 723 19.005 0.238 0.311 1.00 29.70 C ATOM 177 C SER A 723 19.415 1.417 1.154 1.00 29.73 C ATOM 178 O SER A 723 18.817 1.645 2.227 1.00 33.27 O ATOM 179 CB SER A 723 18.069 0.737 -0.843 1.00 38.99 C ATOM 180 OG SER A 723 17.495 -0.379 -1.563 1.00 38.74 O ATOM 0 H SER A 723 17.762 -0.542 1.685 1.00 30.02 H new ATOM 0 HA SER A 723 19.804 -0.163 -0.065 1.00 29.70 H new ATOM 0 HB2 SER A 723 17.360 1.287 -0.474 1.00 38.99 H new ATOM 0 HB3 SER A 723 18.573 1.296 -1.455 1.00 38.99 H new ATOM 0 HG SER A 723 16.687 -0.220 -1.728 1.00 38.74 H new ATOM 181 N PHE A 724 20.387 2.182 0.672 1.00 26.65 N ATOM 182 CA PHE A 724 21.039 3.212 1.451 1.00 27.82 C ATOM 183 C PHE A 724 21.367 4.409 0.643 1.00 30.40 C ATOM 184 O PHE A 724 21.849 4.279 -0.479 1.00 29.43 O ATOM 185 CB PHE A 724 22.373 2.672 2.036 1.00 29.55 C ATOM 186 CG PHE A 724 22.177 1.484 2.913 1.00 29.63 C ATOM 187 CD1 PHE A 724 22.127 0.227 2.376 1.00 26.77 C ATOM 188 CD2 PHE A 724 21.984 1.644 4.315 1.00 28.71 C ATOM 189 CE1 PHE A 724 21.898 -0.882 3.191 1.00 29.73 C ATOM 190 CE2 PHE A 724 21.740 0.532 5.102 1.00 30.64 C ATOM 191 CZ PHE A 724 21.724 -0.744 4.540 1.00 27.53 C ATOM 0 H PHE A 724 20.688 2.112 -0.131 1.00 26.65 H new ATOM 0 HA PHE A 724 20.416 3.461 2.151 1.00 27.82 H new ATOM 0 HB2 PHE A 724 22.969 2.437 1.308 1.00 29.55 H new ATOM 0 HB3 PHE A 724 22.808 3.375 2.543 1.00 29.55 H new ATOM 0 HD1 PHE A 724 22.247 0.111 1.461 1.00 26.77 H new ATOM 0 HD2 PHE A 724 22.022 2.490 4.699 1.00 28.71 H new ATOM 0 HE1 PHE A 724 21.863 -1.730 2.810 1.00 29.73 H new ATOM 0 HE2 PHE A 724 21.585 0.637 6.013 1.00 30.64 H new ATOM 0 HZ PHE A 724 21.596 -1.493 5.077 1.00 27.53 H new ATOM 192 N HIS A 725 21.205 5.597 1.239 1.00 28.88 N ATOM 193 CA HIS A 725 21.876 6.733 0.697 1.00 29.23 C ATOM 194 C HIS A 725 23.351 6.507 0.921 1.00 35.57 C ATOM 195 O HIS A 725 23.763 5.842 1.888 1.00 28.99 O ATOM 196 CB HIS A 725 21.498 8.059 1.388 1.00 34.02 C ATOM 197 CG HIS A 725 20.096 8.484 1.148 1.00 36.25 C ATOM 198 ND1 HIS A 725 19.108 8.312 2.077 1.00 38.78 N ATOM 199 CD2 HIS A 725 19.492 8.997 0.051 1.00 41.33 C ATOM 200 CE1 HIS A 725 17.957 8.732 1.596 1.00 34.61 C ATOM 201 NE2 HIS A 725 18.162 9.147 0.357 1.00 38.61 N ATOM 0 H HIS A 725 20.722 5.744 1.935 1.00 28.88 H new ATOM 0 HA HIS A 725 21.626 6.816 -0.236 1.00 29.23 H new ATOM 0 HB2 HIS A 725 21.640 7.968 2.343 1.00 34.02 H new ATOM 0 HB3 HIS A 725 22.096 8.757 1.078 1.00 34.02 H new ATOM 0 HD2 HIS A 725 19.901 9.208 -0.757 1.00 41.33 H new ATOM 0 HE1 HIS A 725 17.144 8.736 2.047 1.00 34.61 H new ATOM 0 HE2 HIS A 725 17.560 9.460 -0.171 1.00 38.61 H new ATOM 202 N GLU A 726 24.141 7.152 0.075 1.00 35.96 N ATOM 203 CA GLU A 726 25.578 7.029 0.096 1.00 39.19 C ATOM 204 C GLU A 726 26.182 7.227 1.466 1.00 38.17 C ATOM 205 O GLU A 726 26.904 6.366 1.914 1.00 41.23 O ATOM 206 CB GLU A 726 26.202 8.053 -0.862 1.00 42.71 C ATOM 207 CG GLU A 726 27.723 8.130 -0.820 1.00 47.49 C ATOM 208 CD GLU A 726 28.316 8.939 -1.969 1.00 54.48 C ATOM 209 OE1 GLU A 726 27.583 9.787 -2.527 1.00 52.75 O ATOM 210 OE2 GLU A 726 29.505 8.708 -2.302 1.00 50.92 O ATOM 0 H GLU A 726 23.847 7.681 -0.536 1.00 35.96 H new ATOM 0 HA GLU A 726 25.773 6.120 -0.180 1.00 39.19 H new ATOM 0 HB2 GLU A 726 25.927 7.838 -1.767 1.00 42.71 H new ATOM 0 HB3 GLU A 726 25.841 8.930 -0.657 1.00 42.71 H new ATOM 0 HG2 GLU A 726 27.998 8.526 0.022 1.00 47.49 H new ATOM 0 HG3 GLU A 726 28.087 7.231 -0.843 1.00 47.49 H new ATOM 211 N HIS A 727 25.906 8.362 2.106 1.00 33.83 N ATOM 212 CA HIS A 727 26.463 8.698 3.425 1.00 33.87 C ATOM 213 C HIS A 727 25.600 8.317 4.665 1.00 30.29 C ATOM 214 O HIS A 727 25.909 8.678 5.780 1.00 29.28 O ATOM 215 CB HIS A 727 26.728 10.186 3.448 1.00 38.27 C ATOM 216 CG HIS A 727 27.722 10.606 2.432 1.00 45.15 C ATOM 217 ND1 HIS A 727 28.964 10.015 2.331 1.00 50.37 N ATOM 218 CD2 HIS A 727 27.669 11.545 1.467 1.00 47.35 C ATOM 219 CE1 HIS A 727 29.641 10.578 1.352 1.00 54.98 C ATOM 220 NE2 HIS A 727 28.882 11.520 0.821 1.00 59.17 N ATOM 0 H HIS A 727 25.385 8.967 1.787 1.00 33.83 H new ATOM 0 HA HIS A 727 27.263 8.158 3.516 1.00 33.87 H new ATOM 0 HB2 HIS A 727 25.896 10.661 3.297 1.00 38.27 H new ATOM 0 HB3 HIS A 727 27.044 10.441 4.329 1.00 38.27 H new ATOM 0 HD2 HIS A 727 26.950 12.103 1.275 1.00 47.35 H new ATOM 0 HE1 HIS A 727 30.502 10.352 1.082 1.00 54.98 H new ATOM 0 HE2 HIS A 727 29.111 12.037 0.173 1.00 59.17 H new ATOM 221 N CYS A 728 24.506 7.624 4.434 1.00 30.44 N ATOM 222 CA CYS A 728 23.691 7.032 5.488 1.00 29.05 C ATOM 223 C CYS A 728 24.294 5.655 5.864 1.00 28.25 C ATOM 224 O CYS A 728 24.375 5.293 7.028 1.00 26.93 O ATOM 225 CB CYS A 728 22.196 6.901 5.059 1.00 29.46 C ATOM 226 SG CYS A 728 21.223 8.473 5.174 1.00 28.20 S ATOM 0 H CYS A 728 24.203 7.477 3.643 1.00 30.44 H new ATOM 0 HA CYS A 728 23.701 7.614 6.264 1.00 29.05 H new ATOM 0 HB2 CYS A 728 22.161 6.578 4.145 1.00 29.46 H new ATOM 0 HB3 CYS A 728 21.770 6.229 5.614 1.00 29.46 H new ATOM 227 N HIS A 729 24.758 4.917 4.874 1.00 24.44 N ATOM 228 CA HIS A 729 25.488 3.724 5.132 1.00 24.32 C ATOM 229 C HIS A 729 26.816 4.085 5.804 1.00 23.20 C ATOM 230 O HIS A 729 27.379 5.173 5.585 1.00 23.00 O ATOM 231 CB HIS A 729 25.737 2.946 3.808 1.00 22.67 C ATOM 232 CG HIS A 729 26.167 1.562 4.032 1.00 22.31 C ATOM 233 ND1 HIS A 729 27.500 1.224 4.232 1.00 22.83 N ATOM 234 CD2 HIS A 729 25.450 0.438 4.212 1.00 22.14 C ATOM 235 CE1 HIS A 729 27.571 -0.076 4.420 1.00 21.28 C ATOM 236 NE2 HIS A 729 26.349 -0.564 4.413 1.00 23.08 N ATOM 0 H HIS A 729 24.653 5.102 4.041 1.00 24.44 H new ATOM 0 HA HIS A 729 24.976 3.151 5.724 1.00 24.32 H new ATOM 0 HB2 HIS A 729 24.923 2.946 3.280 1.00 22.67 H new ATOM 0 HB3 HIS A 729 26.412 3.409 3.288 1.00 22.67 H new ATOM 0 HD1 HIS A 729 28.164 1.771 4.233 1.00 22.83 H new ATOM 0 HD2 HIS A 729 24.523 0.361 4.201 1.00 22.14 H new ATOM 0 HE1 HIS A 729 28.352 -0.567 4.538 1.00 21.28 H new ATOM 237 N ILE A 730 27.266 3.197 6.691 1.00 22.84 N ATOM 238 CA ILE A 730 28.535 3.347 7.347 1.00 23.54 C ATOM 239 C ILE A 730 29.320 2.000 7.235 1.00 27.44 C ATOM 240 O ILE A 730 28.790 0.930 7.630 1.00 26.77 O ATOM 241 CB ILE A 730 28.386 3.627 8.871 1.00 23.75 C ATOM 242 CG1 ILE A 730 27.555 4.892 9.121 1.00 24.22 C ATOM 243 CG2 ILE A 730 29.766 3.858 9.466 1.00 21.39 C ATOM 244 CD1 ILE A 730 27.273 5.176 10.622 1.00 23.81 C ATOM 0 H ILE A 730 26.832 2.491 6.922 1.00 22.84 H new ATOM 0 HA ILE A 730 28.987 4.092 6.920 1.00 23.54 H new ATOM 0 HB ILE A 730 27.944 2.865 9.277 1.00 23.75 H new ATOM 0 HG12 ILE A 730 28.019 5.653 8.739 1.00 24.22 H new ATOM 0 HG13 ILE A 730 26.710 4.810 8.652 1.00 24.22 H new ATOM 0 HG21 ILE A 730 29.684 4.034 10.416 1.00 21.39 H new ATOM 0 HG22 ILE A 730 30.314 3.069 9.330 1.00 21.39 H new ATOM 0 HG23 ILE A 730 30.182 4.619 9.032 1.00 21.39 H new ATOM 0 HD11 ILE A 730 26.746 5.986 10.705 1.00 23.81 H new ATOM 0 HD12 ILE A 730 26.784 4.432 11.006 1.00 23.81 H new ATOM 0 HD13 ILE A 730 28.113 5.288 11.094 1.00 23.81 H new ATOM 245 N PRO A 731 30.548 2.038 6.740 1.00 27.46 N ATOM 246 CA PRO A 731 31.178 3.173 6.035 1.00 29.66 C ATOM 247 C PRO A 731 30.397 3.645 4.797 1.00 26.99 C ATOM 248 O PRO A 731 29.496 2.937 4.379 1.00 26.34 O ATOM 249 CB PRO A 731 32.499 2.577 5.534 1.00 34.04 C ATOM 250 CG PRO A 731 32.660 1.267 6.224 1.00 32.11 C ATOM 251 CD PRO A 731 31.299 0.772 6.593 1.00 34.27 C ATOM 0 HA PRO A 731 31.244 3.940 6.625 1.00 29.66 H new ATOM 0 HB2 PRO A 731 32.482 2.460 4.571 1.00 34.04 H new ATOM 0 HB3 PRO A 731 33.242 3.167 5.735 1.00 34.04 H new ATOM 0 HG2 PRO A 731 33.107 0.631 5.644 1.00 32.11 H new ATOM 0 HG3 PRO A 731 33.212 1.366 7.016 1.00 32.11 H new ATOM 0 HD2 PRO A 731 30.920 0.202 5.906 1.00 34.27 H new ATOM 0 HD3 PRO A 731 31.309 0.257 7.415 1.00 34.27 H new ATOM 252 N SER A 732 30.704 4.831 4.236 1.00 31.92 N ATOM 253 CA SER A 732 29.974 5.315 2.998 1.00 40.92 C ATOM 254 C SER A 732 30.013 4.296 1.863 1.00 42.52 C ATOM 255 O SER A 732 30.960 3.487 1.754 1.00 41.37 O ATOM 256 CB SER A 732 30.541 6.595 2.439 1.00 45.64 C ATOM 257 OG SER A 732 30.455 7.609 3.409 1.00 52.37 O ATOM 0 H SER A 732 31.308 5.367 4.532 1.00 31.92 H new ATOM 0 HA SER A 732 29.065 5.457 3.305 1.00 40.92 H new ATOM 0 HB2 SER A 732 31.465 6.463 2.176 1.00 45.64 H new ATOM 0 HB3 SER A 732 30.054 6.855 1.642 1.00 45.64 H new ATOM 0 HG SER A 732 30.040 8.267 3.091 1.00 52.37 H new ATOM 258 N VAL A 733 28.966 4.279 1.057 1.00 41.58 N ATOM 259 CA VAL A 733 28.837 3.191 0.100 1.00 45.66 C ATOM 260 C VAL A 733 30.042 3.232 -0.823 1.00 51.41 C ATOM 261 O VAL A 733 30.491 4.305 -1.235 1.00 48.97 O ATOM 262 CB VAL A 733 27.529 3.197 -0.666 1.00 46.14 C ATOM 263 CG1 VAL A 733 27.508 2.086 -1.727 1.00 45.75 C ATOM 264 CG2 VAL A 733 26.359 2.980 0.306 1.00 46.09 C ATOM 0 H VAL A 733 28.337 4.865 1.044 1.00 41.58 H new ATOM 0 HA VAL A 733 28.816 2.354 0.589 1.00 45.66 H new ATOM 0 HB VAL A 733 27.442 4.056 -1.108 1.00 46.14 H new ATOM 0 HG11 VAL A 733 26.663 2.109 -2.203 1.00 45.75 H new ATOM 0 HG12 VAL A 733 28.236 2.223 -2.353 1.00 45.75 H new ATOM 0 HG13 VAL A 733 27.611 1.224 -1.295 1.00 45.75 H new ATOM 0 HG21 VAL A 733 25.524 2.984 -0.187 1.00 46.09 H new ATOM 0 HG22 VAL A 733 26.465 2.127 0.755 1.00 46.09 H new ATOM 0 HG23 VAL A 733 26.349 3.692 0.965 1.00 46.09 H new ATOM 265 N GLU A 734 30.598 2.041 -1.046 1.00 60.56 N ATOM 266 CA GLU A 734 31.882 1.854 -1.726 1.00 70.53 C ATOM 267 C GLU A 734 31.701 2.104 -3.263 1.00 73.33 C ATOM 268 O GLU A 734 30.642 1.776 -3.826 1.00 58.17 O ATOM 269 CB GLU A 734 32.433 0.449 -1.370 1.00 70.52 C ATOM 270 CG GLU A 734 32.815 0.232 0.124 1.00 73.71 C ATOM 271 CD GLU A 734 31.661 0.034 1.167 1.00 78.23 C ATOM 272 OE1 GLU A 734 30.528 -0.326 0.833 1.00 77.67 O ATOM 273 OE2 GLU A 734 31.876 0.215 2.384 1.00 81.03 O ATOM 0 H GLU A 734 30.231 1.303 -0.801 1.00 60.56 H new ATOM 0 HA GLU A 734 32.544 2.497 -1.428 1.00 70.53 H new ATOM 0 HB2 GLU A 734 31.768 -0.213 -1.616 1.00 70.52 H new ATOM 0 HB3 GLU A 734 33.217 0.280 -1.915 1.00 70.52 H new ATOM 0 HG2 GLU A 734 33.393 -0.546 0.171 1.00 73.71 H new ATOM 0 HG3 GLU A 734 33.342 0.995 0.408 1.00 73.71 H new ATOM 274 N ALA A 735 32.707 2.732 -3.898 1.00 86.79 N ATOM 275 CA ALA A 735 32.626 3.248 -5.299 1.00 96.28 C ATOM 276 C ALA A 735 32.239 2.187 -6.333 1.00110.62 C ATOM 277 O ALA A 735 31.248 2.334 -7.074 1.00114.97 O ATOM 278 CB ALA A 735 33.940 3.904 -5.725 1.00 88.32 C ATOM 0 H ALA A 735 33.470 2.876 -3.528 1.00 86.79 H new ATOM 0 HA ALA A 735 31.913 3.905 -5.281 1.00 96.28 H new ATOM 0 HB1 ALA A 735 33.859 4.229 -6.635 1.00 88.32 H new ATOM 0 HB2 ALA A 735 34.138 4.647 -5.133 1.00 88.32 H new ATOM 0 HB3 ALA A 735 34.657 3.253 -5.677 1.00 88.32 H new ATOM 279 N ASN A 736 33.023 1.119 -6.375 1.00107.45 N ATOM 280 CA ASN A 736 32.753 0.029 -7.287 1.00111.24 C ATOM 281 C ASN A 736 32.184 -1.167 -6.488 1.00112.22 C ATOM 282 O ASN A 736 31.227 -0.964 -5.729 1.00115.50 O ATOM 283 CB ASN A 736 34.011 -0.238 -8.120 1.00115.82 C ATOM 284 CG ASN A 736 33.688 -0.837 -9.469 1.00107.78 C ATOM 285 OD1 ASN A 736 33.255 -1.985 -9.547 1.00123.42 O ATOM 286 ND2 ASN A 736 33.874 -0.059 -10.535 1.00 88.08 N ATOM 0 H ASN A 736 33.718 1.009 -5.880 1.00107.45 H new ATOM 0 HA ASN A 736 32.064 0.238 -7.937 1.00111.24 H new ATOM 0 HB2 ASN A 736 34.496 0.593 -8.245 1.00115.82 H new ATOM 0 HB3 ASN A 736 34.597 -0.839 -7.634 1.00115.82 H new ATOM 0 HD21 ASN A 736 33.689 -0.355 -11.321 1.00 88.08 H new ATOM 0 HD22 ASN A 736 34.179 0.739 -10.437 1.00 88.08 H new ATOM 287 N LYS A 737 32.740 -2.377 -6.633 1.00112.10 N ATOM 288 CA LYS A 737 32.249 -3.573 -5.941 1.00111.49 C ATOM 289 C LYS A 737 30.879 -3.984 -6.495 1.00103.97 C ATOM 290 O LYS A 737 29.853 -3.423 -6.120 1.00 99.84 O ATOM 291 CB LYS A 737 32.207 -3.378 -4.403 1.00103.48 C ATOM 0 H LYS A 737 33.418 -2.525 -7.141 1.00112.10 H new ATOM 0 HA LYS A 737 32.876 -4.294 -6.111 1.00111.49 H new ATOM 292 N ASN A 738 30.885 -4.927 -7.433 1.00 94.67 N ATOM 293 CA ASN A 738 29.669 -5.648 -7.843 1.00 91.49 C ATOM 294 C ASN A 738 30.005 -7.121 -7.698 1.00 87.70 C ATOM 295 O ASN A 738 31.032 -7.515 -8.203 1.00102.09 O ATOM 296 CB ASN A 738 29.302 -5.334 -9.290 1.00 96.19 C ATOM 297 CG ASN A 738 29.545 -3.862 -9.650 1.00100.01 C ATOM 298 OD1 ASN A 738 30.662 -3.346 -9.512 1.00 92.46 O ATOM 299 ND2 ASN A 738 28.501 -3.183 -10.110 1.00 99.06 N ATOM 0 H ASN A 738 31.594 -5.171 -7.854 1.00 94.67 H new ATOM 0 HA ASN A 738 28.908 -5.389 -7.301 1.00 91.49 H new ATOM 0 HB2 ASN A 738 29.822 -5.899 -9.883 1.00 96.19 H new ATOM 0 HB3 ASN A 738 28.368 -5.551 -9.438 1.00 96.19 H new ATOM 0 HD21 ASN A 738 28.587 -2.355 -10.324 1.00 99.06 H new ATOM 0 HD22 ASN A 738 27.738 -3.572 -10.194 1.00 99.06 H new ATOM 300 N PRO A 739 29.253 -7.924 -6.948 1.00 85.71 N ATOM 301 CA PRO A 739 28.204 -7.462 -6.062 1.00 85.85 C ATOM 302 C PRO A 739 28.711 -6.619 -4.856 1.00 72.07 C ATOM 303 O PRO A 739 29.903 -6.633 -4.515 1.00 68.45 O ATOM 304 CB PRO A 739 27.586 -8.779 -5.577 1.00 90.44 C ATOM 305 CG PRO A 739 28.750 -9.712 -5.508 1.00 87.87 C ATOM 306 CD PRO A 739 29.692 -9.294 -6.600 1.00 86.09 C ATOM 0 HA PRO A 739 27.593 -6.861 -6.515 1.00 85.85 H new ATOM 0 HB2 PRO A 739 27.160 -8.676 -4.711 1.00 90.44 H new ATOM 0 HB3 PRO A 739 26.907 -9.101 -6.190 1.00 90.44 H new ATOM 0 HG2 PRO A 739 29.182 -9.662 -4.641 1.00 87.87 H new ATOM 0 HG3 PRO A 739 28.464 -10.631 -5.631 1.00 87.87 H new ATOM 0 HD2 PRO A 739 30.614 -9.305 -6.298 1.00 86.09 H new ATOM 0 HD3 PRO A 739 29.637 -9.889 -7.364 1.00 86.09 H new ATOM 307 N TRP A 740 27.786 -5.885 -4.246 1.00 60.23 N ATOM 308 CA TRP A 740 28.029 -5.148 -2.984 1.00 51.61 C ATOM 309 C TRP A 740 27.155 -5.707 -1.875 1.00 44.86 C ATOM 310 O TRP A 740 25.972 -6.026 -2.065 1.00 42.93 O ATOM 311 CB TRP A 740 27.752 -3.673 -3.189 1.00 54.56 C ATOM 312 CG TRP A 740 27.921 -2.829 -1.976 1.00 55.22 C ATOM 313 CD1 TRP A 740 29.096 -2.440 -1.394 1.00 53.01 C ATOM 314 CD2 TRP A 740 26.873 -2.227 -1.219 1.00 45.34 C ATOM 315 NE1 TRP A 740 28.840 -1.627 -0.323 1.00 48.64 N ATOM 316 CE2 TRP A 740 27.486 -1.472 -0.188 1.00 42.68 C ATOM 317 CE3 TRP A 740 25.485 -2.224 -1.336 1.00 43.87 C ATOM 318 CZ2 TRP A 740 26.767 -0.771 0.757 1.00 41.48 C ATOM 319 CZ3 TRP A 740 24.745 -1.494 -0.400 1.00 48.23 C ATOM 320 CH2 TRP A 740 25.401 -0.772 0.640 1.00 44.33 C ATOM 0 H TRP A 740 26.986 -5.793 -4.549 1.00 60.23 H new ATOM 0 HA TRP A 740 28.958 -5.257 -2.725 1.00 51.61 H new ATOM 0 HB2 TRP A 740 28.342 -3.340 -3.883 1.00 54.56 H new ATOM 0 HB3 TRP A 740 26.844 -3.570 -3.515 1.00 54.56 H new ATOM 0 HD1 TRP A 740 29.944 -2.691 -1.683 1.00 53.01 H new ATOM 0 HE1 TRP A 740 29.435 -1.270 0.185 1.00 48.64 H new ATOM 0 HE3 TRP A 740 25.062 -2.694 -2.018 1.00 43.87 H new ATOM 0 HZ2 TRP A 740 27.192 -0.315 1.447 1.00 41.48 H new ATOM 0 HZ3 TRP A 740 23.817 -1.479 -0.456 1.00 48.23 H new ATOM 0 HH2 TRP A 740 24.891 -0.292 1.252 1.00 44.33 H new ATOM 321 N SER A 741 27.752 -5.901 -0.717 1.00 39.53 N ATOM 322 CA SER A 741 27.014 -6.335 0.436 1.00 39.69 C ATOM 323 C SER A 741 27.123 -5.217 1.533 1.00 35.01 C ATOM 324 O SER A 741 28.183 -4.679 1.844 1.00 32.64 O ATOM 325 CB SER A 741 27.503 -7.719 0.882 1.00 43.98 C ATOM 326 OG SER A 741 26.734 -8.777 0.276 1.00 50.77 O ATOM 0 H SER A 741 28.593 -5.784 -0.581 1.00 39.53 H new ATOM 0 HA SER A 741 26.071 -6.452 0.241 1.00 39.69 H new ATOM 0 HB2 SER A 741 28.438 -7.823 0.647 1.00 43.98 H new ATOM 0 HB3 SER A 741 27.444 -7.788 1.848 1.00 43.98 H new ATOM 0 HG SER A 741 25.936 -8.725 0.532 1.00 50.77 H new ATOM 327 N CYS A 742 25.978 -4.849 2.037 1.00 34.14 N ATOM 328 CA CYS A 742 25.825 -3.862 3.093 1.00 34.04 C ATOM 329 C CYS A 742 26.271 -4.418 4.445 1.00 31.17 C ATOM 330 O CYS A 742 26.423 -5.634 4.684 1.00 28.17 O ATOM 331 CB CYS A 742 24.320 -3.443 3.178 1.00 30.30 C ATOM 332 SG CYS A 742 23.225 -4.489 4.119 1.00 32.04 S ATOM 0 H CYS A 742 25.229 -5.175 1.769 1.00 34.14 H new ATOM 0 HA CYS A 742 26.383 -3.097 2.883 1.00 34.04 H new ATOM 0 HB2 CYS A 742 24.279 -2.550 3.556 1.00 30.30 H new ATOM 0 HB3 CYS A 742 23.974 -3.385 2.274 1.00 30.30 H new ATOM 333 N ILE A 743 26.394 -3.481 5.369 1.00 31.28 N ATOM 334 CA ILE A 743 26.887 -3.733 6.697 1.00 25.82 C ATOM 335 C ILE A 743 26.051 -4.723 7.449 1.00 27.37 C ATOM 336 O ILE A 743 26.596 -5.498 8.194 1.00 24.08 O ATOM 337 CB ILE A 743 27.089 -2.434 7.478 1.00 27.27 C ATOM 338 CG1 ILE A 743 27.861 -2.768 8.761 1.00 28.51 C ATOM 339 CG2 ILE A 743 25.768 -1.722 7.710 1.00 24.62 C ATOM 340 CD1 ILE A 743 28.546 -1.609 9.371 1.00 32.07 C ATOM 0 H ILE A 743 26.185 -2.658 5.231 1.00 31.28 H new ATOM 0 HA ILE A 743 27.759 -4.146 6.595 1.00 25.82 H new ATOM 0 HB ILE A 743 27.618 -1.799 6.970 1.00 27.27 H new ATOM 0 HG12 ILE A 743 27.245 -3.145 9.409 1.00 28.51 H new ATOM 0 HG13 ILE A 743 28.519 -3.453 8.562 1.00 28.51 H new ATOM 0 HG21 ILE A 743 25.924 -0.903 8.206 1.00 24.62 H new ATOM 0 HG22 ILE A 743 25.361 -1.509 6.856 1.00 24.62 H new ATOM 0 HG23 ILE A 743 25.174 -2.298 8.216 1.00 24.62 H new ATOM 0 HD11 ILE A 743 29.011 -1.893 10.174 1.00 32.07 H new ATOM 0 HD12 ILE A 743 29.185 -1.242 8.740 1.00 32.07 H new ATOM 0 HD13 ILE A 743 27.892 -0.930 9.600 1.00 32.07 H new ATOM 341 N PHE A 744 24.729 -4.764 7.221 1.00 27.99 N ATOM 342 CA PHE A 744 23.905 -5.794 7.841 1.00 28.86 C ATOM 343 C PHE A 744 24.311 -7.224 7.374 1.00 31.16 C ATOM 344 O PHE A 744 24.371 -8.188 8.188 1.00 28.57 O ATOM 345 CB PHE A 744 22.383 -5.607 7.552 1.00 29.38 C ATOM 346 CG PHE A 744 21.742 -4.423 8.210 1.00 25.09 C ATOM 347 CD1 PHE A 744 21.844 -3.182 7.656 1.00 27.40 C ATOM 348 CD2 PHE A 744 21.010 -4.581 9.368 1.00 25.88 C ATOM 349 CE1 PHE A 744 21.239 -2.071 8.265 1.00 28.35 C ATOM 350 CE2 PHE A 744 20.376 -3.484 9.988 1.00 27.02 C ATOM 351 CZ PHE A 744 20.525 -2.220 9.440 1.00 25.55 C ATOM 0 H PHE A 744 24.303 -4.211 6.718 1.00 27.99 H new ATOM 0 HA PHE A 744 24.061 -5.699 8.794 1.00 28.86 H new ATOM 0 HB2 PHE A 744 22.259 -5.531 6.593 1.00 29.38 H new ATOM 0 HB3 PHE A 744 21.915 -6.408 7.836 1.00 29.38 H new ATOM 0 HD1 PHE A 744 22.320 -3.070 6.865 1.00 27.40 H new ATOM 0 HD2 PHE A 744 20.933 -5.427 9.747 1.00 25.88 H new ATOM 0 HE1 PHE A 744 21.319 -1.230 7.876 1.00 28.35 H new ATOM 0 HE2 PHE A 744 19.864 -3.607 10.755 1.00 27.02 H new ATOM 0 HZ PHE A 744 20.149 -1.479 9.858 1.00 25.55 H new ATOM 352 N CYS A 745 24.553 -7.355 6.069 1.00 32.05 N ATOM 353 CA CYS A 745 25.037 -8.643 5.500 1.00 34.82 C ATOM 354 C CYS A 745 26.446 -9.018 6.046 1.00 33.54 C ATOM 355 O CYS A 745 26.708 -10.159 6.363 1.00 34.95 O ATOM 356 CB CYS A 745 25.048 -8.563 3.955 1.00 34.86 C ATOM 357 SG CYS A 745 23.351 -8.588 3.288 1.00 41.84 S ATOM 0 H CYS A 745 24.448 -6.725 5.493 1.00 32.05 H new ATOM 0 HA CYS A 745 24.427 -9.345 5.776 1.00 34.82 H new ATOM 0 HB2 CYS A 745 25.498 -7.751 3.673 1.00 34.86 H new ATOM 0 HB3 CYS A 745 25.553 -9.308 3.593 1.00 34.86 H new ATOM 358 N ARG A 746 27.339 -8.038 6.129 1.00 29.30 N ATOM 359 CA ARG A 746 28.690 -8.316 6.569 1.00 29.25 C ATOM 360 C ARG A 746 28.709 -8.724 8.013 1.00 30.48 C ATOM 361 O ARG A 746 29.449 -9.634 8.359 1.00 30.99 O ATOM 362 CB ARG A 746 29.598 -7.168 6.342 1.00 29.95 C ATOM 363 CG ARG A 746 29.712 -6.880 4.869 1.00 32.10 C ATOM 364 CD ARG A 746 30.348 -5.548 4.606 1.00 37.93 C ATOM 365 NE ARG A 746 31.733 -5.590 5.041 1.00 46.78 N ATOM 366 CZ ARG A 746 32.533 -4.526 5.124 1.00 58.54 C ATOM 367 NH1 ARG A 746 32.068 -3.294 4.790 1.00 67.44 N ATOM 368 NH2 ARG A 746 33.800 -4.693 5.533 1.00 49.58 N ATOM 0 H ARG A 746 27.181 -7.215 5.936 1.00 29.30 H new ATOM 0 HA ARG A 746 29.017 -9.055 6.032 1.00 29.25 H new ATOM 0 HB2 ARG A 746 29.263 -6.385 6.807 1.00 29.95 H new ATOM 0 HB3 ARG A 746 30.474 -7.362 6.709 1.00 29.95 H new ATOM 0 HG2 ARG A 746 30.235 -7.577 4.443 1.00 32.10 H new ATOM 0 HG3 ARG A 746 28.830 -6.902 4.467 1.00 32.10 H new ATOM 0 HD2 ARG A 746 30.300 -5.335 3.661 1.00 37.93 H new ATOM 0 HD3 ARG A 746 29.870 -4.849 5.079 1.00 37.93 H new ATOM 0 HE ARG A 746 32.060 -6.354 5.260 1.00 46.78 H new ATOM 0 HH11 ARG A 746 31.256 -3.198 4.524 1.00 67.44 H new ATOM 0 HH12 ARG A 746 32.586 -2.610 4.844 1.00 67.44 H new ATOM 0 HH21 ARG A 746 34.086 -5.478 5.737 1.00 49.58 H new ATOM 0 HH22 ARG A 746 34.326 -4.015 5.591 1.00 49.58 H new ATOM 369 N ILE A 747 27.856 -8.135 8.849 1.00 26.94 N ATOM 370 CA ILE A 747 27.744 -8.544 10.242 1.00 27.77 C ATOM 371 C ILE A 747 27.176 -9.964 10.342 1.00 29.25 C ATOM 372 O ILE A 747 27.679 -10.797 11.089 1.00 27.46 O ATOM 373 CB ILE A 747 26.906 -7.554 11.078 1.00 25.96 C ATOM 374 CG1 ILE A 747 27.661 -6.242 11.229 1.00 26.28 C ATOM 375 CG2 ILE A 747 26.572 -8.149 12.418 1.00 29.32 C ATOM 376 CD1 ILE A 747 28.830 -6.235 12.223 1.00 28.84 C ATOM 0 H ILE A 747 27.331 -7.492 8.624 1.00 26.94 H new ATOM 0 HA ILE A 747 28.639 -8.540 10.616 1.00 27.77 H new ATOM 0 HB ILE A 747 26.070 -7.375 10.619 1.00 25.96 H new ATOM 0 HG12 ILE A 747 28.002 -5.986 10.358 1.00 26.28 H new ATOM 0 HG13 ILE A 747 27.029 -5.557 11.499 1.00 26.28 H new ATOM 0 HG21 ILE A 747 26.046 -7.516 12.931 1.00 29.32 H new ATOM 0 HG22 ILE A 747 26.063 -8.965 12.292 1.00 29.32 H new ATOM 0 HG23 ILE A 747 27.392 -8.350 12.896 1.00 29.32 H new ATOM 0 HD11 ILE A 747 29.236 -5.354 12.239 1.00 28.84 H new ATOM 0 HD12 ILE A 747 28.503 -6.456 13.109 1.00 28.84 H new ATOM 0 HD13 ILE A 747 29.491 -6.891 11.950 1.00 28.84 H new ATOM 377 N LYS A 748 26.143 -10.255 9.595 1.00 32.88 N ATOM 378 CA LYS A 748 25.596 -11.618 9.612 1.00 38.69 C ATOM 379 C LYS A 748 26.653 -12.653 9.169 1.00 36.07 C ATOM 380 O LYS A 748 26.738 -13.670 9.772 1.00 36.08 O ATOM 381 CB LYS A 748 24.342 -11.722 8.761 1.00 42.13 C ATOM 382 CG LYS A 748 23.617 -13.045 8.905 1.00 55.43 C ATOM 383 CD LYS A 748 22.838 -13.441 7.643 1.00 70.40 C ATOM 384 CE LYS A 748 21.927 -12.343 7.088 1.00 78.88 C ATOM 385 NZ LYS A 748 20.953 -11.717 8.035 1.00 84.86 N ATOM 0 H LYS A 748 25.739 -9.702 9.075 1.00 32.88 H new ATOM 0 HA LYS A 748 25.349 -11.820 10.528 1.00 38.69 H new ATOM 0 HB2 LYS A 748 23.737 -11.003 9.001 1.00 42.13 H new ATOM 0 HB3 LYS A 748 24.581 -11.593 7.830 1.00 42.13 H new ATOM 0 HG2 LYS A 748 24.261 -13.740 9.113 1.00 55.43 H new ATOM 0 HG3 LYS A 748 23.004 -12.992 9.655 1.00 55.43 H new ATOM 0 HD2 LYS A 748 23.470 -13.700 6.954 1.00 70.40 H new ATOM 0 HD3 LYS A 748 22.299 -14.223 7.841 1.00 70.40 H new ATOM 0 HE2 LYS A 748 22.490 -11.640 6.727 1.00 78.88 H new ATOM 0 HE3 LYS A 748 21.427 -12.715 6.345 1.00 78.88 H new ATOM 0 HZ1 LYS A 748 20.479 -11.097 7.607 1.00 84.86 H new ATOM 0 HZ2 LYS A 748 20.404 -12.342 8.353 1.00 84.86 H new ATOM 0 HZ3 LYS A 748 21.395 -11.340 8.709 1.00 84.86 H new ATOM 386 N THR A 749 27.497 -12.350 8.186 1.00 33.85 N ATOM 387 CA THR A 749 28.541 -13.275 7.790 1.00 35.82 C ATOM 388 C THR A 749 29.540 -13.634 8.883 1.00 41.99 C ATOM 389 O THR A 749 29.977 -14.813 8.986 1.00 39.86 O ATOM 390 CB THR A 749 29.307 -12.705 6.586 1.00 37.60 C ATOM 391 OG1 THR A 749 28.396 -12.610 5.515 1.00 38.58 O ATOM 392 CG2 THR A 749 30.452 -13.609 6.139 1.00 37.99 C ATOM 0 H THR A 749 27.478 -11.615 7.740 1.00 33.85 H new ATOM 0 HA THR A 749 28.079 -14.099 7.570 1.00 35.82 H new ATOM 0 HB THR A 749 29.684 -11.849 6.843 1.00 37.60 H new ATOM 0 HG1 THR A 749 27.868 -11.971 5.652 1.00 38.58 H new ATOM 0 HG21 THR A 749 30.903 -13.208 5.380 1.00 37.99 H new ATOM 0 HG22 THR A 749 31.082 -13.718 6.868 1.00 37.99 H new ATOM 0 HG23 THR A 749 30.100 -14.476 5.884 1.00 37.99 H new ATOM 393 N ILE A 750 29.920 -12.637 9.679 1.00 44.54 N ATOM 394 CA ILE A 750 30.825 -12.815 10.822 1.00 45.48 C ATOM 395 C ILE A 750 30.233 -13.831 11.761 1.00 46.54 C ATOM 396 O ILE A 750 30.941 -14.735 12.169 1.00 47.26 O ATOM 397 CB ILE A 750 31.074 -11.541 11.695 1.00 51.49 C ATOM 398 CG1 ILE A 750 31.598 -10.337 10.913 1.00 54.08 C ATOM 399 CG2 ILE A 750 32.042 -11.836 12.846 1.00 50.86 C ATOM 400 CD1 ILE A 750 32.559 -10.683 9.813 1.00 56.96 C ATOM 0 H ILE A 750 29.657 -11.825 9.572 1.00 44.54 H new ATOM 0 HA ILE A 750 31.670 -13.074 10.421 1.00 45.48 H new ATOM 0 HB ILE A 750 30.198 -11.306 12.038 1.00 51.49 H new ATOM 0 HG12 ILE A 750 30.844 -9.860 10.531 1.00 54.08 H new ATOM 0 HG13 ILE A 750 32.035 -9.729 11.530 1.00 54.08 H new ATOM 0 HG21 ILE A 750 32.178 -11.031 13.369 1.00 50.86 H new ATOM 0 HG22 ILE A 750 31.670 -12.530 13.412 1.00 50.86 H new ATOM 0 HG23 ILE A 750 32.892 -12.134 12.486 1.00 50.86 H new ATOM 0 HD11 ILE A 750 32.845 -9.871 9.366 1.00 56.96 H new ATOM 0 HD12 ILE A 750 33.331 -11.135 10.188 1.00 56.96 H new ATOM 0 HD13 ILE A 750 32.122 -11.267 9.173 1.00 56.96 H new ATOM 401 N GLN A 751 28.972 -13.652 12.141 1.00 46.98 N ATOM 402 CA GLN A 751 28.302 -14.561 13.076 1.00 49.82 C ATOM 403 C GLN A 751 28.203 -15.997 12.547 1.00 49.48 C ATOM 404 O GLN A 751 28.339 -16.963 13.297 1.00 56.21 O ATOM 405 CB GLN A 751 26.886 -14.103 13.352 1.00 52.80 C ATOM 406 CG GLN A 751 26.770 -12.871 14.199 1.00 62.56 C ATOM 407 CD GLN A 751 25.344 -12.351 14.235 1.00 66.76 C ATOM 408 OE1 GLN A 751 24.398 -13.073 13.900 1.00 71.26 O ATOM 409 NE2 GLN A 751 25.185 -11.092 14.620 1.00 65.41 N ATOM 0 H GLN A 751 28.479 -13.003 11.867 1.00 46.98 H new ATOM 0 HA GLN A 751 28.847 -14.547 13.879 1.00 49.82 H new ATOM 0 HB2 GLN A 751 26.443 -13.939 12.505 1.00 52.80 H new ATOM 0 HB3 GLN A 751 26.407 -14.825 13.788 1.00 52.80 H new ATOM 0 HG2 GLN A 751 27.066 -13.069 15.101 1.00 62.56 H new ATOM 0 HG3 GLN A 751 27.358 -12.182 13.852 1.00 62.56 H new ATOM 0 HE21 GLN A 751 25.869 -10.622 14.846 1.00 65.41 H new ATOM 0 HE22 GLN A 751 24.398 -10.746 14.644 1.00 65.41 H new ATOM 410 N GLU A 752 27.912 -16.108 11.256 1.00 49.71 N ATOM 411 CA GLU A 752 27.825 -17.393 10.565 1.00 49.22 C ATOM 412 C GLU A 752 29.167 -18.118 10.441 1.00 46.74 C ATOM 413 O GLU A 752 29.235 -19.321 10.591 1.00 51.34 O ATOM 414 CB GLU A 752 27.197 -17.215 9.194 1.00 48.27 C ATOM 415 CG GLU A 752 25.725 -16.890 9.286 1.00 51.42 C ATOM 416 CD GLU A 752 25.117 -16.612 7.927 1.00 59.62 C ATOM 417 OE1 GLU A 752 25.882 -16.465 6.936 1.00 58.20 O ATOM 418 OE2 GLU A 752 23.861 -16.538 7.870 1.00 69.00 O ATOM 0 H GLU A 752 27.757 -15.431 10.748 1.00 49.71 H new ATOM 0 HA GLU A 752 27.261 -17.957 11.117 1.00 49.22 H new ATOM 0 HB2 GLU A 752 27.655 -16.505 8.719 1.00 48.27 H new ATOM 0 HB3 GLU A 752 27.317 -18.026 8.676 1.00 48.27 H new ATOM 0 HG2 GLU A 752 25.257 -17.630 9.703 1.00 51.42 H new ATOM 0 HG3 GLU A 752 25.601 -16.117 9.859 1.00 51.42 H new ATOM 419 N ARG A 753 30.231 -17.387 10.183 1.00 46.19 N ATOM 420 CA ARG A 753 31.546 -17.979 10.211 1.00 46.68 C ATOM 421 C ARG A 753 32.011 -18.382 11.589 1.00 47.87 C ATOM 422 O ARG A 753 32.872 -19.237 11.655 1.00 57.46 O ATOM 423 CB ARG A 753 32.597 -17.087 9.577 1.00 47.19 C ATOM 424 CG ARG A 753 32.428 -17.002 8.065 1.00 55.17 C ATOM 425 CD ARG A 753 33.446 -16.075 7.370 1.00 58.65 C ATOM 426 NE ARG A 753 33.412 -16.332 5.932 1.00 59.96 N ATOM 427 CZ ARG A 753 33.766 -15.476 4.984 1.00 65.37 C ATOM 428 NH1 ARG A 753 34.237 -14.261 5.275 1.00 68.05 N ATOM 429 NH2 ARG A 753 33.655 -15.853 3.718 1.00 69.82 N ATOM 0 H ARG A 753 30.213 -16.549 9.990 1.00 46.19 H new ATOM 0 HA ARG A 753 31.447 -18.788 9.685 1.00 46.68 H new ATOM 0 HB2 ARG A 753 32.540 -16.197 9.960 1.00 47.19 H new ATOM 0 HB3 ARG A 753 33.480 -17.429 9.785 1.00 47.19 H new ATOM 0 HG2 ARG A 753 32.507 -17.893 7.690 1.00 55.17 H new ATOM 0 HG3 ARG A 753 31.532 -16.689 7.866 1.00 55.17 H new ATOM 0 HD2 ARG A 753 33.232 -15.146 7.550 1.00 58.65 H new ATOM 0 HD3 ARG A 753 34.337 -16.234 7.719 1.00 58.65 H new ATOM 0 HE ARG A 753 33.138 -17.107 5.678 1.00 59.96 H new ATOM 0 HH11 ARG A 753 34.317 -14.016 6.095 1.00 68.05 H new ATOM 0 HH12 ARG A 753 34.460 -13.723 4.642 1.00 68.05 H new ATOM 0 HH21 ARG A 753 33.359 -16.638 3.527 1.00 69.82 H new ATOM 0 HH22 ARG A 753 33.879 -15.313 3.087 1.00 69.82 H new ATOM 430 N CYS A 754 31.488 -17.793 12.669 1.00 43.32 N ATOM 431 CA ACYS A 754 31.933 -18.126 14.027 0.55 45.94 C ATOM 432 CA BCYS A 754 31.957 -18.090 14.041 0.45 40.68 C ATOM 433 C CYS A 754 30.750 -18.088 14.986 1.00 41.94 C ATOM 434 O CYS A 754 30.591 -17.160 15.769 1.00 40.97 O ATOM 435 CB ACYS A 754 33.060 -17.195 14.444 0.55 50.62 C ATOM 436 CB BCYS A 754 33.022 -17.052 14.471 0.45 39.34 C ATOM 437 SG ACYS A 754 34.562 -17.538 13.495 0.55 60.76 S ATOM 438 SG BCYS A 754 34.008 -17.407 15.970 0.45 33.64 S ATOM 0 H ACYS A 754 30.871 -17.195 12.636 0.55 43.32 H new ATOM 0 H BCYS A 754 30.855 -17.212 12.634 0.45 43.32 H new ATOM 0 HA ACYS A 754 32.287 -19.029 14.050 0.55 40.68 H new ATOM 0 HA BCYS A 754 32.374 -18.965 14.074 0.45 40.68 H new ATOM 0 HB2ACYS A 754 32.790 -16.273 14.309 0.55 39.34 H new ATOM 0 HB2BCYS A 754 33.638 -16.934 13.731 0.45 39.34 H new ATOM 0 HB3ACYS A 754 33.240 -17.302 15.391 0.55 39.34 H new ATOM 0 HB3BCYS A 754 32.573 -16.203 14.605 0.45 39.34 H new ATOM 0 HG ACYS A 754 34.332 -18.380 12.671 0.55 33.64 H new ATOM 0 HG BCYS A 754 34.783 -16.511 16.162 0.45 33.64 H new ATOM 439 N PRO A 755 29.880 -19.122 14.904 1.00 45.39 N ATOM 440 CA PRO A 755 28.672 -19.190 15.736 1.00 44.76 C ATOM 441 C PRO A 755 28.891 -18.935 17.245 1.00 43.60 C ATOM 442 O PRO A 755 28.050 -18.299 17.881 1.00 40.39 O ATOM 443 CB PRO A 755 28.154 -20.619 15.507 1.00 47.50 C ATOM 444 CG PRO A 755 28.685 -20.993 14.172 1.00 49.02 C ATOM 445 CD PRO A 755 30.027 -20.339 14.066 1.00 47.06 C ATOM 0 HA PRO A 755 28.057 -18.485 15.480 1.00 44.76 H new ATOM 0 HB2 PRO A 755 28.470 -21.225 16.196 1.00 47.50 H new ATOM 0 HB3 PRO A 755 27.185 -20.651 15.524 1.00 47.50 H new ATOM 0 HG2 PRO A 755 28.760 -21.956 14.085 1.00 49.02 H new ATOM 0 HG3 PRO A 755 28.094 -20.690 13.465 1.00 49.02 H new ATOM 0 HD2 PRO A 755 30.734 -20.917 14.394 1.00 47.06 H new ATOM 0 HD3 PRO A 755 30.246 -20.117 13.147 1.00 47.06 H new ATOM 446 N GLU A 756 30.021 -19.396 17.775 1.00 37.94 N ATOM 447 CA GLU A 756 30.360 -19.235 19.182 1.00 39.11 C ATOM 448 C GLU A 756 30.584 -17.797 19.608 1.00 36.80 C ATOM 449 O GLU A 756 30.611 -17.511 20.825 1.00 33.82 O ATOM 450 CB GLU A 756 31.586 -20.098 19.535 1.00 41.86 C ATOM 451 CG GLU A 756 32.907 -19.673 18.906 1.00 54.72 C ATOM 452 CD GLU A 756 33.187 -20.222 17.480 1.00 61.81 C ATOM 453 OE1 GLU A 756 32.248 -20.526 16.691 1.00 64.66 O ATOM 454 OE2 GLU A 756 34.383 -20.323 17.113 1.00 79.02 O ATOM 0 H GLU A 756 30.618 -19.816 17.320 1.00 37.94 H new ATOM 0 HA GLU A 756 29.584 -19.538 19.680 1.00 39.11 H new ATOM 0 HB2 GLU A 756 31.693 -20.097 20.499 1.00 41.86 H new ATOM 0 HB3 GLU A 756 31.402 -21.013 19.270 1.00 41.86 H new ATOM 0 HG2 GLU A 756 32.932 -18.704 18.871 1.00 54.72 H new ATOM 0 HG3 GLU A 756 33.629 -19.955 19.490 1.00 54.72 H new ATOM 455 N SER A 757 30.778 -16.910 18.613 1.00 36.87 N ATOM 456 CA SER A 757 30.845 -15.440 18.806 1.00 36.67 C ATOM 457 C SER A 757 29.553 -14.864 19.377 1.00 37.30 C ATOM 458 O SER A 757 29.560 -13.795 19.897 1.00 37.08 O ATOM 459 CB SER A 757 31.183 -14.710 17.473 1.00 35.86 C ATOM 460 OG SER A 757 30.043 -14.723 16.580 1.00 43.29 O ATOM 0 H SER A 757 30.876 -17.148 17.793 1.00 36.87 H new ATOM 0 HA SER A 757 31.555 -15.289 19.449 1.00 36.67 H new ATOM 0 HB2 SER A 757 31.445 -13.794 17.658 1.00 35.86 H new ATOM 0 HB3 SER A 757 31.940 -15.141 17.046 1.00 35.86 H new ATOM 0 HG SER A 757 29.994 -15.470 16.199 1.00 43.29 H new ATOM 461 N GLN A 758 28.442 -15.590 19.299 1.00 36.21 N ATOM 462 CA GLN A 758 27.230 -15.185 19.972 1.00 36.87 C ATOM 463 C GLN A 758 27.090 -15.654 21.410 1.00 32.61 C ATOM 464 O GLN A 758 26.119 -15.255 22.057 1.00 29.89 O ATOM 465 CB GLN A 758 25.973 -15.611 19.194 1.00 39.75 C ATOM 466 CG GLN A 758 25.941 -15.174 17.736 1.00 49.81 C ATOM 467 CD GLN A 758 25.036 -16.116 16.954 1.00 63.50 C ATOM 468 OE1 GLN A 758 25.499 -17.183 16.447 1.00 68.49 O ATOM 469 NE2 GLN A 758 23.728 -15.807 16.943 1.00 63.30 N ATOM 0 H GLN A 758 28.376 -16.324 18.856 1.00 36.21 H new ATOM 0 HA GLN A 758 27.308 -14.219 20.000 1.00 36.87 H new ATOM 0 HB2 GLN A 758 25.899 -16.577 19.230 1.00 39.75 H new ATOM 0 HB3 GLN A 758 25.193 -15.250 19.643 1.00 39.75 H new ATOM 0 HG2 GLN A 758 25.616 -14.263 17.667 1.00 49.81 H new ATOM 0 HG3 GLN A 758 26.837 -15.184 17.364 1.00 49.81 H new ATOM 0 HE21 GLN A 758 23.457 -15.072 17.298 1.00 63.30 H new ATOM 0 HE22 GLN A 758 23.162 -16.344 16.581 1.00 63.30 H new ATOM 470 N SER A 759 28.030 -16.447 21.941 1.00 29.17 N ATOM 471 CA SER A 759 27.944 -16.821 23.362 1.00 27.64 C ATOM 472 C SER A 759 28.220 -15.559 24.170 1.00 30.33 C ATOM 473 O SER A 759 28.910 -14.635 23.691 1.00 32.32 O ATOM 474 CB SER A 759 28.932 -17.931 23.737 1.00 25.80 C ATOM 475 OG SER A 759 28.602 -19.163 23.090 1.00 28.76 O ATOM 0 H SER A 759 28.703 -16.770 21.514 1.00 29.17 H new ATOM 0 HA SER A 759 27.062 -17.178 23.552 1.00 27.64 H new ATOM 0 HB2 SER A 759 29.831 -17.664 23.489 1.00 25.80 H new ATOM 0 HB3 SER A 759 28.929 -18.058 24.699 1.00 25.80 H new ATOM 0 HG SER A 759 28.965 -19.188 22.333 1.00 28.76 H new ATOM 476 N GLY A 760 27.718 -15.531 25.396 1.00 28.59 N ATOM 477 CA GLY A 760 27.785 -14.329 26.215 1.00 29.92 C ATOM 478 C GLY A 760 29.195 -13.881 26.521 1.00 31.58 C ATOM 479 O GLY A 760 30.066 -14.726 26.716 1.00 30.68 O ATOM 0 H GLY A 760 27.333 -16.200 25.774 1.00 28.59 H new ATOM 0 HA2 GLY A 760 27.317 -13.611 25.760 1.00 29.92 H new ATOM 0 HA3 GLY A 760 27.317 -14.489 27.049 1.00 29.92 H new ATOM 480 N HIS A 761 29.413 -12.553 26.556 1.00 29.12 N ATOM 481 CA HIS A 761 30.676 -11.969 26.917 1.00 26.81 C ATOM 482 C HIS A 761 30.491 -10.979 28.048 1.00 27.42 C ATOM 483 O HIS A 761 29.407 -10.468 28.292 1.00 25.00 O ATOM 484 CB HIS A 761 31.309 -11.207 25.751 1.00 29.28 C ATOM 485 CG HIS A 761 31.557 -12.036 24.547 1.00 31.06 C ATOM 486 ND1 HIS A 761 30.574 -12.330 23.640 1.00 32.52 N ATOM 487 CD2 HIS A 761 32.691 -12.597 24.070 1.00 35.59 C ATOM 488 CE1 HIS A 761 31.089 -13.042 22.654 1.00 37.75 C ATOM 489 NE2 HIS A 761 32.364 -13.243 22.903 1.00 39.43 N ATOM 0 H HIS A 761 28.808 -11.973 26.364 1.00 29.12 H new ATOM 0 HA HIS A 761 31.254 -12.703 27.179 1.00 26.81 H new ATOM 0 HB2 HIS A 761 30.730 -10.468 25.509 1.00 29.28 H new ATOM 0 HB3 HIS A 761 32.150 -10.824 26.046 1.00 29.28 H new ATOM 0 HD1 HIS A 761 29.751 -12.089 23.703 1.00 32.52 H new ATOM 0 HD2 HIS A 761 33.534 -12.554 24.459 1.00 35.59 H new ATOM 0 HE1 HIS A 761 30.627 -13.350 21.908 1.00 37.75 H new ATOM 490 N GLN A 762 31.587 -10.717 28.755 1.00 26.97 N ATOM 491 CA GLN A 762 31.633 -9.643 29.750 1.00 30.70 C ATOM 492 C GLN A 762 31.981 -8.354 29.038 1.00 26.62 C ATOM 493 O GLN A 762 32.904 -8.353 28.221 1.00 22.06 O ATOM 494 CB GLN A 762 32.731 -9.901 30.781 1.00 34.23 C ATOM 495 CG GLN A 762 32.517 -11.149 31.654 1.00 39.64 C ATOM 496 CD GLN A 762 31.245 -11.085 32.433 1.00 43.33 C ATOM 497 OE1 GLN A 762 30.272 -11.806 32.139 1.00 52.99 O ATOM 498 NE2 GLN A 762 31.206 -10.197 33.412 1.00 47.20 N ATOM 0 H GLN A 762 32.323 -11.154 28.674 1.00 26.97 H new ATOM 0 HA GLN A 762 30.773 -9.596 30.196 1.00 30.70 H new ATOM 0 HB2 GLN A 762 33.578 -9.988 30.317 1.00 34.23 H new ATOM 0 HB3 GLN A 762 32.802 -9.126 31.359 1.00 34.23 H new ATOM 0 HG2 GLN A 762 32.509 -11.938 31.090 1.00 39.64 H new ATOM 0 HG3 GLN A 762 33.264 -11.245 32.266 1.00 39.64 H new ATOM 0 HE21 GLN A 762 31.898 -9.717 33.585 1.00 47.20 H new ATOM 0 HE22 GLN A 762 30.488 -10.099 33.876 1.00 47.20 H new ATOM 499 N GLU A 763 31.284 -7.282 29.409 1.00 25.31 N ATOM 500 CA GLU A 763 31.517 -5.966 28.847 1.00 28.62 C ATOM 501 C GLU A 763 32.942 -5.514 29.007 1.00 29.58 C ATOM 502 O GLU A 763 33.522 -4.949 28.064 1.00 27.51 O ATOM 503 CB GLU A 763 30.560 -4.911 29.455 1.00 31.52 C ATOM 504 CG GLU A 763 30.765 -3.522 28.849 1.00 30.40 C ATOM 505 CD GLU A 763 29.877 -2.421 29.398 1.00 31.18 C ATOM 506 OE1 GLU A 763 28.673 -2.534 29.399 1.00 30.90 O ATOM 507 OE2 GLU A 763 30.377 -1.365 29.715 1.00 36.41 O ATOM 0 H GLU A 763 30.659 -7.304 29.999 1.00 25.31 H new ATOM 0 HA GLU A 763 31.336 -6.045 27.897 1.00 28.62 H new ATOM 0 HB2 GLU A 763 29.642 -5.191 29.314 1.00 31.52 H new ATOM 0 HB3 GLU A 763 30.698 -4.867 30.414 1.00 31.52 H new ATOM 0 HG2 GLU A 763 31.690 -3.264 28.982 1.00 30.40 H new ATOM 0 HG3 GLU A 763 30.622 -3.582 27.891 1.00 30.40 H new ATOM 508 N SER A 764 33.524 -5.781 30.181 1.00 28.78 N ATOM 509 CA SER A 764 34.896 -5.328 30.456 1.00 30.00 C ATOM 510 C SER A 764 35.880 -5.969 29.480 1.00 28.08 C ATOM 511 O SER A 764 36.807 -5.302 28.985 1.00 30.68 O ATOM 512 CB SER A 764 35.241 -5.618 31.927 1.00 35.21 C ATOM 513 OG SER A 764 34.951 -6.994 32.241 1.00 37.12 O ATOM 0 H SER A 764 33.150 -6.215 30.822 1.00 28.78 H new ATOM 0 HA SER A 764 34.963 -4.370 30.320 1.00 30.00 H new ATOM 0 HB2 SER A 764 36.179 -5.432 32.089 1.00 35.21 H new ATOM 0 HB3 SER A 764 34.731 -5.032 32.508 1.00 35.21 H new ATOM 0 HG SER A 764 34.138 -7.071 32.439 1.00 37.12 H new ATOM 514 N GLU A 765 35.648 -7.229 29.106 1.00 26.94 N ATOM 515 CA GLU A 765 36.478 -7.874 28.082 1.00 27.99 C ATOM 516 C GLU A 765 36.260 -7.258 26.700 1.00 24.59 C ATOM 517 O GLU A 765 37.186 -7.058 25.929 1.00 23.50 O ATOM 518 CB GLU A 765 36.130 -9.406 28.002 1.00 30.96 C ATOM 519 CG GLU A 765 36.905 -10.181 26.904 1.00 34.13 C ATOM 520 CD GLU A 765 36.225 -10.310 25.511 1.00 40.47 C ATOM 521 OE1 GLU A 765 34.959 -10.515 25.391 1.00 40.02 O ATOM 522 OE2 GLU A 765 36.975 -10.194 24.508 1.00 39.27 O ATOM 0 H GLU A 765 35.023 -7.724 29.428 1.00 26.94 H new ATOM 0 HA GLU A 765 37.404 -7.743 28.338 1.00 27.99 H new ATOM 0 HB2 GLU A 765 36.315 -9.814 28.862 1.00 30.96 H new ATOM 0 HB3 GLU A 765 35.178 -9.503 27.841 1.00 30.96 H new ATOM 0 HG2 GLU A 765 37.764 -9.748 26.780 1.00 34.13 H new ATOM 0 HG3 GLU A 765 37.083 -11.075 27.236 1.00 34.13 H new ATOM 523 N VAL A 766 35.002 -6.984 26.360 1.00 23.74 N ATOM 524 CA VAL A 766 34.681 -6.385 25.037 1.00 23.26 C ATOM 525 C VAL A 766 35.349 -4.996 24.874 1.00 19.63 C ATOM 526 O VAL A 766 35.923 -4.681 23.815 1.00 19.89 O ATOM 527 CB VAL A 766 33.150 -6.318 24.856 1.00 26.34 C ATOM 528 CG1 VAL A 766 32.711 -5.438 23.675 1.00 27.41 C ATOM 529 CG2 VAL A 766 32.617 -7.752 24.759 1.00 27.58 C ATOM 0 H VAL A 766 34.321 -7.130 26.864 1.00 23.74 H new ATOM 0 HA VAL A 766 35.044 -6.949 24.336 1.00 23.26 H new ATOM 0 HB VAL A 766 32.762 -5.879 25.629 1.00 26.34 H new ATOM 0 HG11 VAL A 766 31.743 -5.437 23.614 1.00 27.41 H new ATOM 0 HG12 VAL A 766 33.027 -4.531 23.812 1.00 27.41 H new ATOM 0 HG13 VAL A 766 33.085 -5.790 22.852 1.00 27.41 H new ATOM 0 HG21 VAL A 766 31.654 -7.732 24.645 1.00 27.58 H new ATOM 0 HG22 VAL A 766 33.023 -8.198 23.999 1.00 27.58 H new ATOM 0 HG23 VAL A 766 32.836 -8.234 25.572 1.00 27.58 H new ATOM 530 N LEU A 767 35.282 -4.164 25.904 1.00 21.27 N ATOM 531 CA LEU A 767 35.851 -2.827 25.813 1.00 23.46 C ATOM 532 C LEU A 767 37.344 -2.839 25.564 1.00 25.76 C ATOM 533 O LEU A 767 37.848 -1.930 24.882 1.00 22.21 O ATOM 534 CB LEU A 767 35.525 -1.951 27.040 1.00 23.51 C ATOM 535 CG LEU A 767 34.034 -1.712 27.259 1.00 26.99 C ATOM 536 CD1 LEU A 767 33.796 -0.841 28.492 1.00 29.82 C ATOM 537 CD2 LEU A 767 33.308 -1.144 26.052 1.00 26.57 C ATOM 0 H LEU A 767 34.915 -4.351 26.659 1.00 21.27 H new ATOM 0 HA LEU A 767 35.423 -2.427 25.040 1.00 23.46 H new ATOM 0 HB2 LEU A 767 35.895 -2.371 27.832 1.00 23.51 H new ATOM 0 HB3 LEU A 767 35.968 -1.094 26.940 1.00 23.51 H new ATOM 0 HG LEU A 767 33.651 -2.591 27.406 1.00 26.99 H new ATOM 0 HD11 LEU A 767 32.843 -0.702 28.612 1.00 29.82 H new ATOM 0 HD12 LEU A 767 34.159 -1.283 29.276 1.00 29.82 H new ATOM 0 HD13 LEU A 767 34.234 0.016 28.373 1.00 29.82 H new ATOM 0 HD21 LEU A 767 32.370 -1.020 26.267 1.00 26.57 H new ATOM 0 HD22 LEU A 767 33.700 -0.290 25.811 1.00 26.57 H new ATOM 0 HD23 LEU A 767 33.390 -1.759 25.306 1.00 26.57 H new ATOM 538 N MET A 768 38.079 -3.834 26.109 1.00 28.57 N ATOM 539 CA MET A 768 39.532 -3.860 25.922 1.00 27.67 C ATOM 540 C MET A 768 39.937 -4.435 24.593 1.00 27.44 C ATOM 541 O MET A 768 41.109 -4.326 24.242 1.00 26.90 O ATOM 542 CB MET A 768 40.226 -4.614 27.033 1.00 33.26 C ATOM 543 CG MET A 768 40.153 -3.846 28.341 1.00 43.95 C ATOM 544 SD MET A 768 40.711 -2.100 28.289 1.00 62.53 S ATOM 545 CE MET A 768 42.396 -2.210 27.685 1.00 51.79 C ATOM 0 H MET A 768 37.759 -4.481 26.576 1.00 28.57 H new ATOM 0 HA MET A 768 39.815 -2.932 25.945 1.00 27.67 H new ATOM 0 HB2 MET A 768 39.815 -5.486 27.143 1.00 33.26 H new ATOM 0 HB3 MET A 768 41.154 -4.766 26.795 1.00 33.26 H new ATOM 0 HG2 MET A 768 39.235 -3.863 28.653 1.00 43.95 H new ATOM 0 HG3 MET A 768 40.686 -4.317 29.001 1.00 43.95 H new ATOM 0 HE1 MET A 768 42.745 -1.318 27.534 1.00 51.79 H new ATOM 0 HE2 MET A 768 42.946 -2.665 28.341 1.00 51.79 H new ATOM 0 HE3 MET A 768 42.410 -2.707 26.852 1.00 51.79 H new ATOM 546 N ARG A 769 39.003 -4.928 23.764 1.00 23.12 N ATOM 547 CA ARG A 769 39.446 -5.420 22.456 1.00 25.16 C ATOM 548 C ARG A 769 40.037 -4.346 21.583 1.00 26.32 C ATOM 549 O ARG A 769 39.548 -3.224 21.549 1.00 22.75 O ATOM 550 CB ARG A 769 38.340 -6.108 21.697 1.00 26.04 C ATOM 551 CG ARG A 769 37.821 -7.325 22.424 1.00 28.87 C ATOM 552 CD ARG A 769 36.678 -7.828 21.606 1.00 30.03 C ATOM 553 NE ARG A 769 35.943 -8.810 22.336 1.00 34.90 N ATOM 554 CZ ARG A 769 34.757 -9.268 21.975 1.00 34.57 C ATOM 555 NH1 ARG A 769 34.130 -8.787 20.904 1.00 37.39 N ATOM 556 NH2 ARG A 769 34.195 -10.195 22.703 1.00 38.19 N ATOM 0 H ARG A 769 38.160 -4.984 23.927 1.00 23.12 H new ATOM 0 HA ARG A 769 40.143 -6.062 22.663 1.00 25.16 H new ATOM 0 HB2 ARG A 769 37.611 -5.484 21.554 1.00 26.04 H new ATOM 0 HB3 ARG A 769 38.665 -6.370 20.822 1.00 26.04 H new ATOM 0 HG2 ARG A 769 38.512 -8.000 22.510 1.00 28.87 H new ATOM 0 HG3 ARG A 769 37.533 -7.098 23.322 1.00 28.87 H new ATOM 0 HD2 ARG A 769 36.095 -7.091 21.365 1.00 30.03 H new ATOM 0 HD3 ARG A 769 37.008 -8.211 20.778 1.00 30.03 H new ATOM 0 HE ARG A 769 36.294 -9.123 23.056 1.00 34.90 H new ATOM 0 HH11 ARG A 769 34.496 -8.167 20.433 1.00 37.39 H new ATOM 0 HH12 ARG A 769 33.359 -9.096 20.683 1.00 37.39 H new ATOM 0 HH21 ARG A 769 34.596 -10.495 23.402 1.00 38.19 H new ATOM 0 HH22 ARG A 769 33.423 -10.505 22.484 1.00 38.19 H new ATOM 557 N GLN A 770 41.068 -4.729 20.844 1.00 25.13 N ATOM 558 CA GLN A 770 41.658 -3.875 19.849 1.00 29.40 C ATOM 559 C GLN A 770 40.742 -3.688 18.669 1.00 25.77 C ATOM 560 O GLN A 770 40.054 -4.610 18.241 1.00 24.46 O ATOM 561 CB GLN A 770 43.009 -4.443 19.392 1.00 29.57 C ATOM 562 CG GLN A 770 43.985 -4.329 20.571 1.00 36.13 C ATOM 563 CD GLN A 770 45.389 -4.865 20.284 1.00 40.42 C ATOM 564 OE1 GLN A 770 45.760 -5.163 19.146 1.00 50.63 O ATOM 565 NE2 GLN A 770 46.170 -4.979 21.334 1.00 41.56 N ATOM 0 H GLN A 770 41.443 -5.500 20.912 1.00 25.13 H new ATOM 0 HA GLN A 770 41.802 -3.005 20.253 1.00 29.40 H new ATOM 0 HB2 GLN A 770 42.914 -5.368 19.117 1.00 29.57 H new ATOM 0 HB3 GLN A 770 43.343 -3.952 18.625 1.00 29.57 H new ATOM 0 HG2 GLN A 770 44.053 -3.397 20.831 1.00 36.13 H new ATOM 0 HG3 GLN A 770 43.616 -4.809 21.329 1.00 36.13 H new ATOM 0 HE21 GLN A 770 45.878 -4.762 22.113 1.00 41.56 H new ATOM 0 HE22 GLN A 770 46.974 -5.271 21.242 1.00 41.56 H new ATOM 566 N MET A 771 40.791 -2.513 18.083 1.00 25.11 N ATOM 567 CA MET A 771 39.962 -2.260 16.910 1.00 26.61 C ATOM 568 C MET A 771 40.522 -2.931 15.638 1.00 26.86 C ATOM 569 O MET A 771 40.898 -2.251 14.687 1.00 23.74 O ATOM 570 CB MET A 771 39.741 -0.769 16.732 1.00 26.70 C ATOM 571 CG MET A 771 38.860 -0.217 17.809 1.00 34.24 C ATOM 572 SD MET A 771 37.108 -0.598 17.405 1.00 28.92 S ATOM 573 CE MET A 771 36.731 0.995 16.732 1.00 32.73 C ATOM 0 H MET A 771 41.284 -1.855 18.336 1.00 25.11 H new ATOM 0 HA MET A 771 39.097 -2.672 17.061 1.00 26.61 H new ATOM 0 HB2 MET A 771 40.595 -0.310 16.743 1.00 26.70 H new ATOM 0 HB3 MET A 771 39.340 -0.601 15.865 1.00 26.70 H new ATOM 0 HG2 MET A 771 39.097 -0.603 18.667 1.00 34.24 H new ATOM 0 HG3 MET A 771 38.985 0.742 17.885 1.00 34.24 H new ATOM 0 HE1 MET A 771 35.856 0.971 16.314 1.00 32.73 H new ATOM 0 HE2 MET A 771 36.732 1.655 17.443 1.00 32.73 H new ATOM 0 HE3 MET A 771 37.399 1.233 16.070 1.00 32.73 H new ATOM 574 N LEU A 772 40.532 -4.275 15.606 1.00 26.92 N ATOM 575 CA LEU A 772 40.846 -5.000 14.376 1.00 26.99 C ATOM 576 C LEU A 772 39.605 -4.925 13.458 1.00 27.74 C ATOM 577 O LEU A 772 38.553 -4.577 13.944 1.00 27.06 O ATOM 578 CB LEU A 772 41.145 -6.442 14.699 1.00 30.58 C ATOM 579 CG LEU A 772 42.377 -6.754 15.563 1.00 35.02 C ATOM 580 CD1 LEU A 772 42.407 -8.252 15.859 1.00 37.28 C ATOM 581 CD2 LEU A 772 43.637 -6.364 14.888 1.00 34.31 C ATOM 0 H LEU A 772 40.360 -4.776 16.284 1.00 26.92 H new ATOM 0 HA LEU A 772 41.620 -4.611 13.940 1.00 26.99 H new ATOM 0 HB2 LEU A 772 40.368 -6.812 15.147 1.00 30.58 H new ATOM 0 HB3 LEU A 772 41.243 -6.919 13.860 1.00 30.58 H new ATOM 0 HG LEU A 772 42.309 -6.241 16.384 1.00 35.02 H new ATOM 0 HD11 LEU A 772 43.182 -8.459 16.404 1.00 37.28 H new ATOM 0 HD12 LEU A 772 41.600 -8.504 16.335 1.00 37.28 H new ATOM 0 HD13 LEU A 772 42.458 -8.746 15.026 1.00 37.28 H new ATOM 0 HD21 LEU A 772 44.390 -6.575 15.461 1.00 34.31 H new ATOM 0 HD22 LEU A 772 43.721 -6.850 14.053 1.00 34.31 H new ATOM 0 HD23 LEU A 772 43.626 -5.411 14.707 1.00 34.31 H new ATOM 582 N PRO A 773 39.722 -5.264 12.163 1.00 27.94 N ATOM 583 CA PRO A 773 38.645 -5.139 11.213 1.00 29.05 C ATOM 584 C PRO A 773 37.259 -5.600 11.651 1.00 27.25 C ATOM 585 O PRO A 773 36.269 -4.956 11.311 1.00 29.79 O ATOM 586 CB PRO A 773 39.140 -5.975 10.025 1.00 28.02 C ATOM 587 CG PRO A 773 40.595 -5.815 10.069 1.00 27.75 C ATOM 588 CD PRO A 773 40.921 -5.812 11.514 1.00 27.75 C ATOM 0 HA PRO A 773 38.483 -4.198 11.040 1.00 29.05 H new ATOM 0 HB2 PRO A 773 38.881 -6.906 10.112 1.00 28.02 H new ATOM 0 HB3 PRO A 773 38.772 -5.655 9.186 1.00 28.02 H new ATOM 0 HG2 PRO A 773 41.045 -6.539 9.606 1.00 27.75 H new ATOM 0 HG3 PRO A 773 40.873 -4.990 9.642 1.00 27.75 H new ATOM 0 HD2 PRO A 773 41.117 -6.707 11.833 1.00 27.75 H new ATOM 0 HD3 PRO A 773 41.702 -5.267 11.698 1.00 27.75 H new ATOM 589 N GLU A 774 37.179 -6.702 12.363 1.00 29.86 N ATOM 590 CA AGLU A 774 35.902 -7.216 12.852 0.49 30.17 C ATOM 591 CA BGLU A 774 35.876 -7.171 12.797 0.51 30.45 C ATOM 592 C GLU A 774 35.281 -6.285 13.916 1.00 28.06 C ATOM 593 O GLU A 774 34.086 -6.020 13.874 1.00 23.92 O ATOM 594 CB AGLU A 774 36.071 -8.639 13.404 0.49 31.18 C ATOM 595 CB BGLU A 774 35.900 -8.670 13.128 0.51 31.46 C ATOM 596 CG AGLU A 774 34.803 -9.301 13.896 0.49 33.64 C ATOM 597 CG BGLU A 774 36.158 -9.500 11.873 0.51 35.66 C ATOM 598 CD AGLU A 774 35.003 -10.761 14.270 0.49 38.66 C ATOM 599 CD BGLU A 774 35.857 -10.986 12.035 0.51 38.35 C ATOM 600 OE1AGLU A 774 35.580 -11.533 13.468 0.49 41.03 O ATOM 601 OE1BGLU A 774 35.920 -11.512 13.164 0.51 40.81 O ATOM 602 OE2AGLU A 774 34.557 -11.133 15.373 0.49 40.58 O ATOM 603 OE2BGLU A 774 35.549 -11.636 11.012 0.51 42.54 O ATOM 0 H AGLU A 774 37.859 -7.180 12.582 0.49 29.86 H new ATOM 0 H BGLU A 774 37.847 -7.187 12.604 0.51 29.86 H new ATOM 0 HA AGLU A 774 35.289 -7.246 12.101 0.49 30.45 H new ATOM 0 HA BGLU A 774 35.261 -7.078 12.053 0.51 30.45 H new ATOM 0 HB2AGLU A 774 36.459 -9.194 12.710 0.49 31.46 H new ATOM 0 HB2BGLU A 774 36.590 -8.849 13.786 0.51 31.46 H new ATOM 0 HB3AGLU A 774 36.708 -8.612 14.135 0.49 31.46 H new ATOM 0 HB3BGLU A 774 35.054 -8.931 13.525 0.51 31.46 H new ATOM 0 HG2AGLU A 774 34.470 -8.817 14.668 0.49 35.66 H new ATOM 0 HG2BGLU A 774 35.618 -9.148 11.148 0.51 35.66 H new ATOM 0 HG3AGLU A 774 34.123 -9.239 13.207 0.49 35.66 H new ATOM 0 HG3BGLU A 774 37.086 -9.395 11.613 0.51 35.66 H new ATOM 604 N GLU A 775 36.085 -5.790 14.864 1.00 25.01 N ATOM 605 CA AGLU A 775 35.581 -4.854 15.882 0.55 25.93 C ATOM 606 CA BGLU A 775 35.606 -4.848 15.890 0.45 24.60 C ATOM 607 C GLU A 775 35.240 -3.487 15.275 1.00 24.26 C ATOM 608 O GLU A 775 34.236 -2.892 15.624 1.00 24.13 O ATOM 609 CB AGLU A 775 36.550 -4.675 17.029 0.55 29.66 C ATOM 610 CB BGLU A 775 36.625 -4.656 17.002 0.45 26.12 C ATOM 611 CG AGLU A 775 36.961 -5.967 17.744 0.55 36.03 C ATOM 612 CG BGLU A 775 36.553 -5.723 18.098 0.45 28.51 C ATOM 613 CD AGLU A 775 35.824 -6.964 17.971 0.55 37.36 C ATOM 614 CD BGLU A 775 37.019 -7.129 17.646 0.45 30.12 C ATOM 615 OE1AGLU A 775 34.941 -6.672 18.774 0.55 38.28 O ATOM 616 OE1BGLU A 775 37.792 -7.268 16.670 0.45 27.99 O ATOM 617 OE2AGLU A 775 35.827 -8.050 17.350 0.55 40.29 O ATOM 618 OE2BGLU A 775 36.581 -8.107 18.286 0.45 32.97 O ATOM 0 H AGLU A 775 36.920 -5.981 14.936 0.55 25.01 H new ATOM 0 H BGLU A 775 36.919 -5.988 14.932 0.45 25.01 H new ATOM 0 HA AGLU A 775 34.769 -5.253 16.233 0.55 24.60 H new ATOM 0 HA BGLU A 775 34.807 -5.240 16.275 0.45 24.60 H new ATOM 0 HB2AGLU A 775 37.349 -4.240 16.693 0.55 26.12 H new ATOM 0 HB2BGLU A 775 37.515 -4.659 16.617 0.45 26.12 H new ATOM 0 HB3AGLU A 775 36.152 -4.075 17.679 0.55 26.12 H new ATOM 0 HB3BGLU A 775 36.493 -3.783 17.403 0.45 26.12 H new ATOM 0 HG2AGLU A 775 37.656 -6.401 17.226 0.55 28.51 H new ATOM 0 HG2BGLU A 775 37.098 -5.439 18.849 0.45 28.51 H new ATOM 0 HG3AGLU A 775 37.349 -5.737 18.603 0.55 28.51 H new ATOM 0 HG3BGLU A 775 35.639 -5.783 18.417 0.45 28.51 H new ATOM 619 N GLN A 776 36.068 -3.027 14.353 1.00 22.65 N ATOM 620 CA GLN A 776 35.850 -1.827 13.611 1.00 23.18 C ATOM 621 C GLN A 776 34.461 -1.874 12.946 1.00 23.80 C ATOM 622 O GLN A 776 33.699 -0.890 13.065 1.00 20.72 O ATOM 623 CB GLN A 776 36.985 -1.568 12.619 1.00 23.66 C ATOM 624 CG GLN A 776 36.840 -0.398 11.656 1.00 25.30 C ATOM 625 CD GLN A 776 37.188 1.002 12.197 1.00 24.60 C ATOM 626 OE1 GLN A 776 37.992 1.166 13.125 1.00 24.97 O ATOM 627 NE2 GLN A 776 36.582 2.031 11.596 1.00 26.36 N ATOM 0 H GLN A 776 36.798 -3.429 14.142 1.00 22.65 H new ATOM 0 HA GLN A 776 35.857 -1.069 14.216 1.00 23.18 H new ATOM 0 HB2 GLN A 776 37.800 -1.434 13.128 1.00 23.66 H new ATOM 0 HB3 GLN A 776 37.108 -2.373 12.092 1.00 23.66 H new ATOM 0 HG2 GLN A 776 37.402 -0.571 10.885 1.00 25.30 H new ATOM 0 HG3 GLN A 776 35.923 -0.380 11.340 1.00 25.30 H new ATOM 0 HE21 GLN A 776 36.028 1.888 10.954 1.00 26.36 H new ATOM 0 HE22 GLN A 776 36.746 2.836 11.851 1.00 26.36 H new ATOM 628 N LEU A 777 34.130 -3.008 12.321 1.00 23.51 N ATOM 629 CA LEU A 777 32.882 -3.168 11.629 1.00 24.71 C ATOM 630 C LEU A 777 31.702 -3.159 12.578 1.00 24.89 C ATOM 631 O LEU A 777 30.641 -2.591 12.275 1.00 21.81 O ATOM 632 CB LEU A 777 32.872 -4.462 10.882 1.00 29.73 C ATOM 633 CG LEU A 777 31.719 -4.583 9.874 1.00 33.63 C ATOM 634 CD1 LEU A 777 31.971 -3.796 8.586 1.00 34.40 C ATOM 635 CD2 LEU A 777 31.515 -6.049 9.588 1.00 39.53 C ATOM 0 H LEU A 777 34.637 -3.702 12.295 1.00 23.51 H new ATOM 0 HA LEU A 777 32.799 -2.418 11.019 1.00 24.71 H new ATOM 0 HB2 LEU A 777 33.714 -4.561 10.411 1.00 29.73 H new ATOM 0 HB3 LEU A 777 32.814 -5.193 11.517 1.00 29.73 H new ATOM 0 HG LEU A 777 30.918 -4.194 10.259 1.00 33.63 H new ATOM 0 HD11 LEU A 777 31.216 -3.906 7.987 1.00 34.40 H new ATOM 0 HD12 LEU A 777 32.081 -2.856 8.797 1.00 34.40 H new ATOM 0 HD13 LEU A 777 32.775 -4.127 8.156 1.00 34.40 H new ATOM 0 HD21 LEU A 777 30.790 -6.157 8.952 1.00 39.53 H new ATOM 0 HD22 LEU A 777 32.329 -6.423 9.216 1.00 39.53 H new ATOM 0 HD23 LEU A 777 31.294 -6.512 10.411 1.00 39.53 H new ATOM 636 N LYS A 778 31.874 -3.838 13.698 1.00 23.81 N ATOM 637 CA ALYS A 778 30.847 -3.881 14.735 0.17 22.58 C ATOM 638 CA BLYS A 778 30.843 -3.871 14.718 0.83 25.86 C ATOM 639 C LYS A 778 30.546 -2.494 15.302 1.00 20.35 C ATOM 640 O LYS A 778 29.395 -2.181 15.530 1.00 19.90 O ATOM 641 CB ALYS A 778 31.219 -4.863 15.854 0.17 22.85 C ATOM 642 CB BLYS A 778 31.163 -4.906 15.794 0.83 28.10 C ATOM 643 CG ALYS A 778 31.080 -6.332 15.457 0.17 23.65 C ATOM 644 CG BLYS A 778 31.064 -6.363 15.290 0.83 34.21 C ATOM 645 CD ALYS A 778 31.511 -7.263 16.588 0.17 24.16 C ATOM 646 CD BLYS A 778 31.368 -7.346 16.433 0.83 42.81 C ATOM 647 CE ALYS A 778 31.164 -8.712 16.285 0.17 24.98 C ATOM 648 CE BLYS A 778 31.278 -8.806 16.002 0.83 53.54 C ATOM 649 NZ ALYS A 778 31.763 -9.234 15.022 0.17 24.72 N ATOM 650 NZ BLYS A 778 30.924 -9.672 17.166 0.83 61.62 N ATOM 0 H ALYS A 778 32.584 -4.287 13.883 0.17 23.81 H new ATOM 0 H BLYS A 778 32.582 -4.288 13.888 0.83 23.81 H new ATOM 0 HA ALYS A 778 30.035 -4.203 14.312 0.17 25.86 H new ATOM 0 HA BLYS A 778 30.023 -4.151 14.283 0.83 25.86 H new ATOM 0 HB2ALYS A 778 32.134 -4.696 16.128 0.17 28.10 H new ATOM 0 HB2BLYS A 778 32.059 -4.747 16.130 0.83 28.10 H new ATOM 0 HB3ALYS A 778 30.656 -4.690 16.625 0.17 28.10 H new ATOM 0 HB3BLYS A 778 30.555 -4.786 16.540 0.83 28.10 H new ATOM 0 HG2ALYS A 778 30.158 -6.517 15.218 0.17 34.21 H new ATOM 0 HG2BLYS A 778 30.175 -6.531 14.939 0.83 34.21 H new ATOM 0 HG3ALYS A 778 31.618 -6.507 14.669 0.17 34.21 H new ATOM 0 HG3BLYS A 778 31.688 -6.503 14.561 0.83 34.21 H new ATOM 0 HD2ALYS A 778 32.467 -7.181 16.728 0.17 42.81 H new ATOM 0 HD2BLYS A 778 32.258 -7.170 16.777 0.83 42.81 H new ATOM 0 HD3ALYS A 778 31.079 -6.992 17.413 0.17 42.81 H new ATOM 0 HD3BLYS A 778 30.746 -7.190 17.161 0.83 42.81 H new ATOM 0 HE2ALYS A 778 31.460 -9.266 17.024 0.17 53.54 H new ATOM 0 HE2BLYS A 778 30.611 -8.903 15.305 0.83 53.54 H new ATOM 0 HE3ALYS A 778 30.199 -8.799 16.233 0.17 53.54 H new ATOM 0 HE3BLYS A 778 32.125 -9.091 15.625 0.83 53.54 H new ATOM 0 HZ1ALYS A 778 31.114 -9.493 14.470 0.17 61.62 H new ATOM 0 HZ1BLYS A 778 30.875 -10.520 16.901 0.83 61.62 H new ATOM 0 HZ2ALYS A 778 32.244 -8.593 14.634 0.17 61.62 H new ATOM 0 HZ2BLYS A 778 31.549 -9.594 17.795 0.83 61.62 H new ATOM 0 HZ3ALYS A 778 32.289 -9.928 15.207 0.17 61.62 H new ATOM 0 HZ3BLYS A 778 30.137 -9.419 17.496 0.83 61.62 H new ATOM 651 N CYS A 779 31.569 -1.672 15.515 1.00 18.31 N ATOM 652 CA CYS A 779 31.357 -0.344 16.021 1.00 19.57 C ATOM 653 C CYS A 779 30.640 0.515 14.961 1.00 21.07 C ATOM 654 O CYS A 779 29.712 1.188 15.317 1.00 19.95 O ATOM 655 CB CYS A 779 32.637 0.343 16.477 1.00 20.94 C ATOM 656 SG CYS A 779 33.370 -0.431 17.963 1.00 22.57 S ATOM 0 H CYS A 779 32.392 -1.874 15.369 1.00 18.31 H new ATOM 0 HA CYS A 779 30.800 -0.434 16.810 1.00 19.57 H new ATOM 0 HB2 CYS A 779 33.284 0.323 15.755 1.00 20.94 H new ATOM 0 HB3 CYS A 779 32.449 1.276 16.663 1.00 20.94 H new ATOM 0 HG CYS A 779 33.070 0.205 18.935 1.00 22.57 H new ATOM 657 N GLU A 780 31.031 0.421 13.681 1.00 21.13 N ATOM 658 CA GLU A 780 30.335 1.086 12.576 1.00 20.84 C ATOM 659 C GLU A 780 28.863 0.706 12.479 1.00 19.63 C ATOM 660 O GLU A 780 28.002 1.588 12.340 1.00 19.43 O ATOM 661 CB GLU A 780 31.049 0.802 11.222 1.00 22.03 C ATOM 662 CG GLU A 780 32.474 1.333 11.153 1.00 24.14 C ATOM 663 CD GLU A 780 33.370 0.784 9.987 1.00 29.38 C ATOM 664 OE1 GLU A 780 33.046 -0.315 9.477 1.00 26.19 O ATOM 665 OE2 GLU A 780 34.431 1.454 9.623 1.00 26.37 O ATOM 0 H GLU A 780 31.715 -0.036 13.432 1.00 21.13 H new ATOM 0 HA GLU A 780 30.370 2.036 12.768 1.00 20.84 H new ATOM 0 HB2 GLU A 780 31.062 -0.156 11.068 1.00 22.03 H new ATOM 0 HB3 GLU A 780 30.531 1.198 10.504 1.00 22.03 H new ATOM 0 HG2 GLU A 780 32.435 2.299 11.077 1.00 24.14 H new ATOM 0 HG3 GLU A 780 32.914 1.133 11.994 1.00 24.14 H new ATOM 666 N PHE A 781 28.554 -0.580 12.622 1.00 18.32 N ATOM 667 CA PHE A 781 27.196 -1.034 12.674 1.00 19.07 C ATOM 668 C PHE A 781 26.390 -0.462 13.862 1.00 20.84 C ATOM 669 O PHE A 781 25.218 -0.060 13.729 1.00 21.20 O ATOM 670 CB PHE A 781 27.198 -2.574 12.745 1.00 20.37 C ATOM 671 CG PHE A 781 25.845 -3.217 12.582 1.00 21.01 C ATOM 672 CD1 PHE A 781 25.028 -2.874 11.529 1.00 24.63 C ATOM 673 CD2 PHE A 781 25.419 -4.161 13.440 1.00 23.13 C ATOM 674 CE1 PHE A 781 23.810 -3.478 11.356 1.00 23.64 C ATOM 675 CE2 PHE A 781 24.212 -4.761 13.290 1.00 23.08 C ATOM 676 CZ PHE A 781 23.414 -4.417 12.235 1.00 24.62 C ATOM 0 H PHE A 781 29.139 -1.207 12.691 1.00 18.32 H new ATOM 0 HA PHE A 781 26.755 -0.713 11.872 1.00 19.07 H new ATOM 0 HB2 PHE A 781 27.789 -2.916 12.056 1.00 20.37 H new ATOM 0 HB3 PHE A 781 27.570 -2.845 13.599 1.00 20.37 H new ATOM 0 HD1 PHE A 781 25.306 -2.223 10.926 1.00 24.63 H new ATOM 0 HD2 PHE A 781 25.964 -4.408 14.152 1.00 23.13 H new ATOM 0 HE1 PHE A 781 23.264 -3.242 10.641 1.00 23.64 H new ATOM 0 HE2 PHE A 781 23.929 -5.402 13.901 1.00 23.08 H new ATOM 0 HZ PHE A 781 22.591 -4.835 12.124 1.00 24.62 H new ATOM 677 N LEU A 782 27.000 -0.472 15.034 1.00 20.94 N ATOM 678 CA LEU A 782 26.374 0.043 16.236 1.00 18.19 C ATOM 679 C LEU A 782 26.104 1.522 16.063 1.00 18.32 C ATOM 680 O LEU A 782 25.000 1.976 16.378 1.00 18.09 O ATOM 681 CB LEU A 782 27.285 -0.192 17.442 1.00 18.12 C ATOM 682 CG LEU A 782 26.881 0.356 18.788 1.00 18.90 C ATOM 683 CD1 LEU A 782 25.458 0.069 19.157 1.00 21.43 C ATOM 684 CD2 LEU A 782 27.745 -0.246 19.892 1.00 19.46 C ATOM 0 H LEU A 782 27.794 -0.780 15.155 1.00 20.94 H new ATOM 0 HA LEU A 782 25.535 -0.420 16.389 1.00 18.19 H new ATOM 0 HB2 LEU A 782 27.399 -1.150 17.539 1.00 18.12 H new ATOM 0 HB3 LEU A 782 28.156 0.177 17.226 1.00 18.12 H new ATOM 0 HG LEU A 782 26.998 1.316 18.710 1.00 18.90 H new ATOM 0 HD11 LEU A 782 25.267 0.448 20.029 1.00 21.43 H new ATOM 0 HD12 LEU A 782 24.867 0.464 18.497 1.00 21.43 H new ATOM 0 HD13 LEU A 782 25.318 -0.890 19.184 1.00 21.43 H new ATOM 0 HD21 LEU A 782 27.473 0.116 20.750 1.00 19.46 H new ATOM 0 HD22 LEU A 782 27.636 -1.210 19.899 1.00 19.46 H new ATOM 0 HD23 LEU A 782 28.676 -0.027 19.730 1.00 19.46 H new ATOM 685 N LEU A 783 27.076 2.291 15.543 1.00 17.45 N ATOM 686 CA LEU A 783 26.812 3.694 15.199 1.00 16.81 C ATOM 687 C LEU A 783 25.633 3.856 14.239 1.00 17.66 C ATOM 688 O LEU A 783 24.720 4.717 14.445 1.00 16.77 O ATOM 689 CB LEU A 783 28.048 4.377 14.650 1.00 16.79 C ATOM 690 CG LEU A 783 28.007 5.837 14.311 1.00 17.24 C ATOM 691 CD1 LEU A 783 27.524 6.679 15.530 1.00 17.54 C ATOM 692 CD2 LEU A 783 29.350 6.337 13.789 1.00 16.98 C ATOM 0 H LEU A 783 27.878 2.023 15.386 1.00 17.45 H new ATOM 0 HA LEU A 783 26.566 4.132 16.029 1.00 16.81 H new ATOM 0 HB2 LEU A 783 28.759 4.251 15.297 1.00 16.79 H new ATOM 0 HB3 LEU A 783 28.308 3.901 13.846 1.00 16.79 H new ATOM 0 HG LEU A 783 27.363 5.951 13.594 1.00 17.24 H new ATOM 0 HD11 LEU A 783 27.505 7.618 15.288 1.00 17.54 H new ATOM 0 HD12 LEU A 783 26.633 6.394 15.788 1.00 17.54 H new ATOM 0 HD13 LEU A 783 28.132 6.549 16.274 1.00 17.54 H new ATOM 0 HD21 LEU A 783 29.285 7.282 13.581 1.00 16.98 H new ATOM 0 HD22 LEU A 783 30.031 6.201 14.466 1.00 16.98 H new ATOM 0 HD23 LEU A 783 29.589 5.846 12.987 1.00 16.98 H new ATOM 693 N LEU A 784 25.614 3.001 13.228 1.00 18.47 N ATOM 694 CA LEU A 784 24.556 3.031 12.255 1.00 19.69 C ATOM 695 C LEU A 784 23.212 2.779 12.855 1.00 20.80 C ATOM 696 O LEU A 784 22.216 3.412 12.479 1.00 22.19 O ATOM 697 CB LEU A 784 24.801 2.067 11.080 1.00 21.80 C ATOM 698 CG LEU A 784 23.685 2.027 10.019 1.00 22.63 C ATOM 699 CD1 LEU A 784 24.220 2.080 8.604 1.00 24.47 C ATOM 700 CD2 LEU A 784 22.812 0.793 10.189 1.00 26.62 C ATOM 0 H LEU A 784 26.210 2.396 13.093 1.00 18.47 H new ATOM 0 HA LEU A 784 24.562 3.936 11.905 1.00 19.69 H new ATOM 0 HB2 LEU A 784 25.632 2.315 10.645 1.00 21.80 H new ATOM 0 HB3 LEU A 784 24.922 1.172 11.435 1.00 21.80 H new ATOM 0 HG LEU A 784 23.150 2.823 10.162 1.00 22.63 H new ATOM 0 HD11 LEU A 784 23.480 2.052 7.977 1.00 24.47 H new ATOM 0 HD12 LEU A 784 24.720 2.902 8.477 1.00 24.47 H new ATOM 0 HD13 LEU A 784 24.803 1.320 8.450 1.00 24.47 H new ATOM 0 HD21 LEU A 784 22.119 0.791 9.511 1.00 26.62 H new ATOM 0 HD22 LEU A 784 23.357 -0.004 10.096 1.00 26.62 H new ATOM 0 HD23 LEU A 784 22.403 0.804 11.069 1.00 26.62 H new ATOM 701 N LYS A 785 23.131 1.811 13.747 1.00 22.42 N ATOM 702 CA LYS A 785 21.894 1.527 14.477 1.00 21.69 C ATOM 703 C LYS A 785 21.350 2.733 15.277 1.00 21.01 C ATOM 704 O LYS A 785 20.114 2.954 15.361 1.00 20.27 O ATOM 705 CB LYS A 785 22.060 0.274 15.347 1.00 25.19 C ATOM 706 CG LYS A 785 22.041 -1.043 14.587 1.00 27.02 C ATOM 707 CD LYS A 785 20.634 -1.323 14.047 1.00 33.18 C ATOM 708 CE LYS A 785 20.619 -2.658 13.397 1.00 42.77 C ATOM 709 NZ LYS A 785 19.341 -3.335 13.703 1.00 45.65 N ATOM 0 H LYS A 785 23.788 1.295 13.952 1.00 22.42 H new ATOM 0 HA LYS A 785 21.211 1.348 13.812 1.00 21.69 H new ATOM 0 HB2 LYS A 785 22.898 0.341 15.830 1.00 25.19 H new ATOM 0 HB3 LYS A 785 21.351 0.260 16.009 1.00 25.19 H new ATOM 0 HG2 LYS A 785 22.675 -1.010 13.854 1.00 27.02 H new ATOM 0 HG3 LYS A 785 22.320 -1.765 15.171 1.00 27.02 H new ATOM 0 HD2 LYS A 785 19.987 -1.295 14.769 1.00 33.18 H new ATOM 0 HD3 LYS A 785 20.378 -0.638 13.410 1.00 33.18 H new ATOM 0 HE2 LYS A 785 20.725 -2.563 12.438 1.00 42.77 H new ATOM 0 HE3 LYS A 785 21.364 -3.192 13.714 1.00 42.77 H new ATOM 0 HZ1 LYS A 785 19.329 -4.136 13.315 1.00 45.65 H new ATOM 0 HZ2 LYS A 785 19.259 -3.432 14.584 1.00 45.65 H new ATOM 0 HZ3 LYS A 785 18.664 -2.846 13.395 1.00 45.65 H new ATOM 710 N VAL A 786 22.242 3.552 15.804 1.00 18.68 N ATOM 711 CA VAL A 786 21.793 4.797 16.476 1.00 19.03 C ATOM 712 C VAL A 786 21.255 5.823 15.481 1.00 19.52 C ATOM 713 O VAL A 786 20.197 6.385 15.692 1.00 20.03 O ATOM 714 CB VAL A 786 22.928 5.416 17.342 1.00 19.11 C ATOM 715 CG1 VAL A 786 22.553 6.795 17.928 1.00 19.34 C ATOM 716 CG2 VAL A 786 23.348 4.419 18.449 1.00 17.56 C ATOM 0 H VAL A 786 23.093 3.426 15.794 1.00 18.68 H new ATOM 0 HA VAL A 786 21.063 4.549 17.064 1.00 19.03 H new ATOM 0 HB VAL A 786 23.687 5.577 16.760 1.00 19.11 H new ATOM 0 HG11 VAL A 786 23.292 7.134 18.457 1.00 19.34 H new ATOM 0 HG12 VAL A 786 22.363 7.413 17.205 1.00 19.34 H new ATOM 0 HG13 VAL A 786 21.768 6.705 18.491 1.00 19.34 H new ATOM 0 HG21 VAL A 786 24.055 4.810 18.985 1.00 17.56 H new ATOM 0 HG22 VAL A 786 22.585 4.223 19.015 1.00 17.56 H new ATOM 0 HG23 VAL A 786 23.667 3.599 18.042 1.00 17.56 H new ATOM 717 N TYR A 787 21.952 6.024 14.369 1.00 20.71 N ATOM 718 CA TYR A 787 21.433 6.855 13.273 1.00 19.80 C ATOM 719 C TYR A 787 20.096 6.359 12.735 1.00 22.08 C ATOM 720 O TYR A 787 19.316 7.161 12.272 1.00 22.44 O ATOM 721 CB TYR A 787 22.449 7.008 12.114 1.00 18.26 C ATOM 722 CG TYR A 787 23.572 7.978 12.285 1.00 18.39 C ATOM 723 CD1 TYR A 787 23.399 9.375 12.036 1.00 21.84 C ATOM 724 CD2 TYR A 787 24.841 7.560 12.626 1.00 18.76 C ATOM 725 CE1 TYR A 787 24.433 10.269 12.215 1.00 19.19 C ATOM 726 CE2 TYR A 787 25.886 8.465 12.765 1.00 17.78 C ATOM 727 CZ TYR A 787 25.688 9.800 12.565 1.00 18.79 C ATOM 728 OH TYR A 787 26.741 10.692 12.631 1.00 18.27 O ATOM 0 H TYR A 787 22.731 5.690 14.223 1.00 20.71 H new ATOM 0 HA TYR A 787 21.287 7.730 13.666 1.00 19.80 H new ATOM 0 HB2 TYR A 787 22.835 6.135 11.941 1.00 18.26 H new ATOM 0 HB3 TYR A 787 21.956 7.263 11.319 1.00 18.26 H new ATOM 0 HD1 TYR A 787 22.572 9.687 11.747 1.00 21.84 H new ATOM 0 HD2 TYR A 787 25.001 6.654 12.766 1.00 18.76 H new ATOM 0 HE1 TYR A 787 24.289 11.181 12.101 1.00 19.19 H new ATOM 0 HE2 TYR A 787 26.732 8.157 12.998 1.00 17.78 H new ATOM 0 HH TYR A 787 26.489 11.444 12.354 1.00 18.27 H new ATOM 729 N CYS A 788 19.807 5.071 12.800 1.00 21.07 N ATOM 730 CA CYS A 788 18.494 4.577 12.359 1.00 24.04 C ATOM 731 C CYS A 788 17.333 5.115 13.190 1.00 26.16 C ATOM 732 O CYS A 788 16.202 5.078 12.750 1.00 27.27 O ATOM 733 CB CYS A 788 18.391 3.050 12.356 1.00 22.11 C ATOM 734 SG CYS A 788 19.392 2.171 11.115 1.00 25.37 S ATOM 0 H CYS A 788 20.343 4.465 13.091 1.00 21.07 H new ATOM 0 HA CYS A 788 18.424 4.910 11.451 1.00 24.04 H new ATOM 0 HB2 CYS A 788 18.644 2.727 13.235 1.00 22.11 H new ATOM 0 HB3 CYS A 788 17.461 2.809 12.222 1.00 22.11 H new ATOM 0 HG CYS A 788 20.556 2.384 11.316 1.00 25.37 H new ATOM 735 N ASP A 789 17.580 5.567 14.404 1.00 26.40 N ATOM 736 CA ASP A 789 16.461 6.183 15.195 1.00 27.39 C ATOM 737 C ASP A 789 16.321 7.618 14.789 1.00 24.32 C ATOM 738 O ASP A 789 17.306 8.348 14.785 1.00 21.31 O ATOM 739 CB ASP A 789 16.752 6.140 16.700 1.00 28.56 C ATOM 740 CG ASP A 789 15.493 6.342 17.520 1.00 35.39 C ATOM 741 OD1 ASP A 789 15.107 7.513 17.794 1.00 30.27 O ATOM 742 OD2 ASP A 789 14.868 5.274 17.817 1.00 36.46 O ATOM 0 H ASP A 789 18.344 5.542 14.798 1.00 26.40 H new ATOM 0 HA ASP A 789 15.650 5.682 15.018 1.00 27.39 H new ATOM 0 HB2 ASP A 789 17.154 5.287 16.928 1.00 28.56 H new ATOM 0 HB3 ASP A 789 17.399 6.827 16.925 1.00 28.56 H new ATOM 743 N SER A 790 15.106 8.079 14.490 1.00 24.44 N ATOM 744 CA SER A 790 14.935 9.492 14.096 1.00 24.60 C ATOM 745 C SER A 790 15.368 10.493 15.173 1.00 24.88 C ATOM 746 O SER A 790 15.826 11.620 14.825 1.00 27.21 O ATOM 747 CB SER A 790 13.498 9.775 13.695 1.00 26.29 C ATOM 748 OG SER A 790 12.717 9.564 14.845 1.00 33.57 O ATOM 0 H SER A 790 14.384 7.612 14.506 1.00 24.44 H new ATOM 0 HA SER A 790 15.525 9.618 13.337 1.00 24.60 H new ATOM 0 HB2 SER A 790 13.402 10.685 13.374 1.00 26.29 H new ATOM 0 HB3 SER A 790 13.218 9.189 12.975 1.00 26.29 H new ATOM 0 HG SER A 790 11.910 9.712 14.667 1.00 33.57 H new ATOM 749 N LYS A 791 15.361 10.098 16.457 1.00 20.24 N ATOM 750 CA LYS A 791 15.769 11.023 17.495 1.00 20.87 C ATOM 751 C LYS A 791 17.281 11.255 17.514 1.00 23.82 C ATOM 752 O LYS A 791 17.742 12.148 18.212 1.00 19.43 O ATOM 753 CB LYS A 791 15.308 10.568 18.871 1.00 22.73 C ATOM 754 CG LYS A 791 13.812 10.443 19.018 1.00 25.51 C ATOM 755 CD LYS A 791 13.457 9.560 20.223 1.00 30.27 C ATOM 756 CE LYS A 791 11.935 9.435 20.428 1.00 33.52 C ATOM 757 NZ LYS A 791 11.400 10.594 21.193 1.00 33.21 N ATOM 0 H LYS A 791 15.128 9.317 16.731 1.00 20.24 H new ATOM 0 HA LYS A 791 15.337 11.864 17.280 1.00 20.87 H new ATOM 0 HB2 LYS A 791 15.714 9.710 19.068 1.00 22.73 H new ATOM 0 HB3 LYS A 791 15.636 11.196 19.534 1.00 22.73 H new ATOM 0 HG2 LYS A 791 13.419 11.323 19.129 1.00 25.51 H new ATOM 0 HG3 LYS A 791 13.434 10.063 18.210 1.00 25.51 H new ATOM 0 HD2 LYS A 791 13.838 8.677 20.098 1.00 30.27 H new ATOM 0 HD3 LYS A 791 13.860 9.932 21.023 1.00 30.27 H new ATOM 0 HE2 LYS A 791 11.493 9.381 19.566 1.00 33.52 H new ATOM 0 HE3 LYS A 791 11.736 8.612 20.901 1.00 33.52 H new ATOM 0 HZ1 LYS A 791 10.571 10.415 21.462 1.00 33.21 H new ATOM 0 HZ2 LYS A 791 11.915 10.745 21.903 1.00 33.21 H new ATOM 0 HZ3 LYS A 791 11.394 11.316 20.673 1.00 33.21 H new ATOM 758 N SER A 792 18.057 10.481 16.740 1.00 22.23 N ATOM 759 CA SER A 792 19.475 10.743 16.625 1.00 21.38 C ATOM 760 C SER A 792 19.789 12.102 15.995 1.00 21.82 C ATOM 761 O SER A 792 20.889 12.641 16.159 1.00 20.47 O ATOM 762 CB SER A 792 20.086 9.636 15.735 1.00 23.92 C ATOM 763 OG SER A 792 19.688 9.811 14.391 1.00 23.00 O ATOM 0 H SER A 792 17.774 9.810 16.283 1.00 22.23 H new ATOM 0 HA SER A 792 19.849 10.752 17.520 1.00 21.38 H new ATOM 0 HB2 SER A 792 21.054 9.659 15.798 1.00 23.92 H new ATOM 0 HB3 SER A 792 19.802 8.764 16.052 1.00 23.92 H new ATOM 0 HG SER A 792 18.943 9.442 14.269 1.00 23.00 H new ATOM 764 N CYS A 793 18.827 12.686 15.264 1.00 24.33 N ATOM 765 CA CYS A 793 18.987 14.056 14.731 1.00 23.42 C ATOM 766 C CYS A 793 19.397 15.077 15.762 1.00 22.50 C ATOM 767 O CYS A 793 20.249 15.977 15.511 1.00 19.65 O ATOM 768 CB CYS A 793 17.665 14.537 14.023 1.00 30.76 C ATOM 769 SG CYS A 793 16.302 14.907 15.172 1.00 30.53 S ATOM 0 H CYS A 793 18.079 12.311 15.065 1.00 24.33 H new ATOM 0 HA CYS A 793 19.714 13.996 14.091 1.00 23.42 H new ATOM 0 HB2 CYS A 793 17.859 15.331 13.500 1.00 30.76 H new ATOM 0 HB3 CYS A 793 17.374 13.852 13.401 1.00 30.76 H new ATOM 0 HG CYS A 793 15.701 13.898 15.419 1.00 30.53 H new ATOM 770 N PHE A 794 18.898 14.906 16.994 1.00 21.16 N ATOM 771 CA PHE A 794 19.343 15.807 18.083 1.00 20.52 C ATOM 772 C PHE A 794 20.814 15.737 18.474 1.00 24.34 C ATOM 773 O PHE A 794 21.361 16.695 19.046 1.00 22.09 O ATOM 774 CB PHE A 794 18.501 15.608 19.355 1.00 20.92 C ATOM 775 CG PHE A 794 17.043 15.983 19.181 1.00 19.63 C ATOM 776 CD1 PHE A 794 16.661 17.299 19.022 1.00 22.09 C ATOM 777 CD2 PHE A 794 16.080 15.020 19.192 1.00 21.84 C ATOM 778 CE1 PHE A 794 15.300 17.652 18.853 1.00 23.06 C ATOM 779 CE2 PHE A 794 14.706 15.338 19.014 1.00 23.86 C ATOM 780 CZ PHE A 794 14.317 16.669 18.856 1.00 21.63 C ATOM 0 H PHE A 794 18.326 14.304 17.219 1.00 21.16 H new ATOM 0 HA PHE A 794 19.211 16.685 17.692 1.00 20.52 H new ATOM 0 HB2 PHE A 794 18.558 14.679 19.630 1.00 20.92 H new ATOM 0 HB3 PHE A 794 18.881 16.140 20.072 1.00 20.92 H new ATOM 0 HD1 PHE A 794 17.309 17.966 19.026 1.00 22.09 H new ATOM 0 HD2 PHE A 794 16.327 14.133 19.319 1.00 21.84 H new ATOM 0 HE1 PHE A 794 15.063 18.544 18.740 1.00 23.06 H new ATOM 0 HE2 PHE A 794 14.068 14.661 19.003 1.00 23.86 H new ATOM 0 HZ PHE A 794 13.420 16.893 18.755 1.00 21.63 H new ATOM 781 N PHE A 795 21.456 14.611 18.183 1.00 22.16 N ATOM 782 CA PHE A 795 22.845 14.356 18.555 1.00 21.95 C ATOM 783 C PHE A 795 23.835 14.255 17.386 1.00 21.31 C ATOM 784 O PHE A 795 24.976 13.984 17.605 1.00 24.41 O ATOM 785 CB PHE A 795 22.854 13.051 19.368 1.00 20.62 C ATOM 786 CG PHE A 795 21.932 13.103 20.552 1.00 20.91 C ATOM 787 CD1 PHE A 795 22.298 13.795 21.668 1.00 20.67 C ATOM 788 CD2 PHE A 795 20.676 12.495 20.526 1.00 21.51 C ATOM 789 CE1 PHE A 795 21.469 13.879 22.770 1.00 20.84 C ATOM 790 CE2 PHE A 795 19.831 12.571 21.630 1.00 22.12 C ATOM 791 CZ PHE A 795 20.218 13.275 22.742 1.00 20.89 C ATOM 0 H PHE A 795 21.090 13.961 17.756 1.00 22.16 H new ATOM 0 HA PHE A 795 23.156 15.123 19.060 1.00 21.95 H new ATOM 0 HB2 PHE A 795 22.596 12.314 18.793 1.00 20.62 H new ATOM 0 HB3 PHE A 795 23.757 12.870 19.673 1.00 20.62 H new ATOM 0 HD1 PHE A 795 23.125 14.220 21.688 1.00 20.67 H new ATOM 0 HD2 PHE A 795 20.401 12.036 19.765 1.00 21.51 H new ATOM 0 HE1 PHE A 795 21.748 14.339 23.529 1.00 20.84 H new ATOM 0 HE2 PHE A 795 19.005 12.145 21.614 1.00 22.12 H new ATOM 0 HZ PHE A 795 19.647 13.348 23.472 1.00 20.89 H new ATOM 792 N ALA A 796 23.397 14.445 16.159 1.00 22.29 N ATOM 793 CA ALA A 796 24.256 14.281 15.009 1.00 22.15 C ATOM 794 C ALA A 796 25.279 15.380 14.838 1.00 22.40 C ATOM 795 O ALA A 796 26.460 15.106 14.581 1.00 21.77 O ATOM 796 CB ALA A 796 23.447 14.181 13.730 1.00 24.21 C ATOM 0 H ALA A 796 22.590 14.674 15.969 1.00 22.29 H new ATOM 0 HA ALA A 796 24.736 13.456 15.180 1.00 22.15 H new ATOM 0 HB1 ALA A 796 24.047 14.072 12.975 1.00 24.21 H new ATOM 0 HB2 ALA A 796 22.851 13.417 13.782 1.00 24.21 H new ATOM 0 HB3 ALA A 796 22.925 14.990 13.613 1.00 24.21 H new ATOM 797 N SER A 797 24.878 16.626 14.983 1.00 23.01 N ATOM 798 CA SER A 797 25.797 17.696 14.612 1.00 24.89 C ATOM 799 C SER A 797 26.244 18.390 15.832 1.00 23.38 C ATOM 800 O SER A 797 25.798 18.092 16.950 1.00 25.84 O ATOM 801 CB SER A 797 25.155 18.590 13.537 1.00 28.72 C ATOM 802 OG SER A 797 24.242 19.406 14.192 1.00 35.38 O ATOM 0 H SER A 797 24.111 16.874 15.282 1.00 23.01 H new ATOM 0 HA SER A 797 26.603 17.351 14.196 1.00 24.89 H new ATOM 0 HB2 SER A 797 25.828 19.121 13.083 1.00 28.72 H new ATOM 0 HB3 SER A 797 24.714 18.053 12.860 1.00 28.72 H new ATOM 0 HG SER A 797 23.710 18.931 14.637 1.00 35.38 H new ATOM 803 N GLU A 798 27.202 19.271 15.654 1.00 22.48 N ATOM 804 CA GLU A 798 27.913 19.870 16.769 1.00 25.64 C ATOM 805 C GLU A 798 27.003 20.800 17.543 1.00 26.98 C ATOM 806 O GLU A 798 26.443 21.687 16.976 1.00 27.29 O ATOM 807 CB GLU A 798 29.108 20.679 16.265 1.00 27.67 C ATOM 808 CG GLU A 798 29.952 21.218 17.372 1.00 30.60 C ATOM 809 CD GLU A 798 31.247 21.912 16.885 1.00 34.75 C ATOM 810 OE1 GLU A 798 31.562 21.978 15.651 1.00 37.14 O ATOM 811 OE2 GLU A 798 31.993 22.347 17.795 1.00 32.72 O ATOM 0 H GLU A 798 27.463 19.543 14.881 1.00 22.48 H new ATOM 0 HA GLU A 798 28.217 19.152 17.346 1.00 25.64 H new ATOM 0 HB2 GLU A 798 29.654 20.118 15.692 1.00 27.67 H new ATOM 0 HB3 GLU A 798 28.788 21.415 15.720 1.00 27.67 H new ATOM 0 HG2 GLU A 798 29.429 21.852 17.888 1.00 30.60 H new ATOM 0 HG3 GLU A 798 30.189 20.492 17.970 1.00 30.60 H new ATOM 812 N PRO A 799 26.867 20.589 18.834 1.00 26.35 N ATOM 813 CA PRO A 799 25.969 21.324 19.652 1.00 26.29 C ATOM 814 C PRO A 799 26.586 22.639 20.170 1.00 29.55 C ATOM 815 O PRO A 799 27.775 22.851 20.069 1.00 29.46 O ATOM 816 CB PRO A 799 25.760 20.375 20.831 1.00 25.54 C ATOM 817 CG PRO A 799 27.111 19.758 20.998 1.00 26.49 C ATOM 818 CD PRO A 799 27.647 19.600 19.616 1.00 25.70 C ATOM 0 HA PRO A 799 25.165 21.581 19.175 1.00 26.29 H new ATOM 0 HB2 PRO A 799 25.479 20.849 21.629 1.00 25.54 H new ATOM 0 HB3 PRO A 799 25.080 19.709 20.642 1.00 25.54 H new ATOM 0 HG2 PRO A 799 27.689 20.322 21.535 1.00 26.49 H new ATOM 0 HG3 PRO A 799 27.051 18.902 21.450 1.00 26.49 H new ATOM 0 HD2 PRO A 799 28.599 19.783 19.578 1.00 25.70 H new ATOM 0 HD3 PRO A 799 27.518 18.698 19.283 1.00 25.70 H new ATOM 819 N TYR A 800 25.746 23.508 20.719 1.00 31.39 N ATOM 820 CA TYR A 800 26.217 24.639 21.481 1.00 33.90 C ATOM 821 C TYR A 800 25.294 24.881 22.691 1.00 30.79 C ATOM 822 O TYR A 800 24.143 24.466 22.758 1.00 26.56 O ATOM 823 CB TYR A 800 26.301 25.856 20.585 1.00 38.28 C ATOM 824 CG TYR A 800 24.955 26.277 20.088 1.00 48.08 C ATOM 825 CD1 TYR A 800 24.499 25.878 18.832 1.00 49.64 C ATOM 826 CD2 TYR A 800 24.137 27.117 20.871 1.00 55.72 C ATOM 827 CE1 TYR A 800 23.253 26.305 18.354 1.00 60.79 C ATOM 828 CE2 TYR A 800 22.898 27.551 20.410 1.00 64.44 C ATOM 829 CZ TYR A 800 22.463 27.156 19.153 1.00 66.97 C ATOM 830 OH TYR A 800 21.246 27.617 18.726 1.00 74.96 O ATOM 0 H TYR A 800 24.890 23.453 20.657 1.00 31.39 H new ATOM 0 HA TYR A 800 27.106 24.458 21.823 1.00 33.90 H new ATOM 0 HB2 TYR A 800 26.709 26.589 21.073 1.00 38.28 H new ATOM 0 HB3 TYR A 800 26.878 25.662 19.830 1.00 38.28 H new ATOM 0 HD1 TYR A 800 25.028 25.322 18.306 1.00 49.64 H new ATOM 0 HD2 TYR A 800 24.431 27.386 21.711 1.00 55.72 H new ATOM 0 HE1 TYR A 800 22.951 26.030 17.519 1.00 60.79 H new ATOM 0 HE2 TYR A 800 22.366 28.101 20.939 1.00 64.44 H new ATOM 0 HH TYR A 800 20.909 28.108 19.318 1.00 74.96 H new ATOM 831 N TYR A 801 25.847 25.576 23.646 1.00 27.68 N ATOM 832 CA TYR A 801 25.351 25.601 24.984 1.00 29.57 C ATOM 833 C TYR A 801 25.216 27.035 25.561 1.00 32.17 C ATOM 834 O TYR A 801 26.209 27.708 25.974 1.00 27.05 O ATOM 835 CB TYR A 801 26.316 24.775 25.817 1.00 30.07 C ATOM 836 CG TYR A 801 26.368 23.327 25.373 1.00 29.99 C ATOM 837 CD1 TYR A 801 25.385 22.418 25.781 1.00 28.63 C ATOM 838 CD2 TYR A 801 27.412 22.857 24.565 1.00 30.14 C ATOM 839 CE1 TYR A 801 25.460 21.061 25.409 1.00 28.59 C ATOM 840 CE2 TYR A 801 27.489 21.523 24.171 1.00 30.82 C ATOM 841 CZ TYR A 801 26.500 20.617 24.608 1.00 29.00 C ATOM 842 OH TYR A 801 26.536 19.312 24.222 1.00 24.75 O ATOM 0 H TYR A 801 26.546 26.063 23.528 1.00 27.68 H new ATOM 0 HA TYR A 801 24.452 25.237 25.001 1.00 29.57 H new ATOM 0 HB2 TYR A 801 27.204 25.161 25.757 1.00 30.07 H new ATOM 0 HB3 TYR A 801 26.051 24.816 26.749 1.00 30.07 H new ATOM 0 HD1 TYR A 801 24.674 22.713 26.303 1.00 28.63 H new ATOM 0 HD2 TYR A 801 28.070 23.451 24.285 1.00 30.14 H new ATOM 0 HE1 TYR A 801 24.811 20.463 25.701 1.00 28.59 H new ATOM 0 HE2 TYR A 801 28.185 21.233 23.626 1.00 30.82 H new ATOM 0 HH TYR A 801 25.754 19.007 24.192 1.00 24.75 H new ATOM 843 N ASN A 802 23.978 27.520 25.564 1.00 30.69 N ATOM 844 CA ASN A 802 23.724 28.823 26.139 1.00 30.66 C ATOM 845 C ASN A 802 22.328 28.815 26.764 1.00 30.33 C ATOM 846 O ASN A 802 21.361 29.145 26.128 1.00 33.49 O ATOM 847 CB ASN A 802 23.920 29.957 25.137 1.00 28.96 C ATOM 848 CG ASN A 802 23.936 31.347 25.810 1.00 30.60 C ATOM 849 OD1 ASN A 802 23.823 31.477 27.051 1.00 28.36 O ATOM 850 ND2 ASN A 802 24.070 32.398 24.985 1.00 27.73 N ATOM 0 H ASN A 802 23.289 27.117 25.244 1.00 30.69 H new ATOM 0 HA ASN A 802 24.379 28.998 26.833 1.00 30.66 H new ATOM 0 HB2 ASN A 802 24.754 29.822 24.660 1.00 28.96 H new ATOM 0 HB3 ASN A 802 23.209 29.928 24.478 1.00 28.96 H new ATOM 0 HD21 ASN A 802 24.081 33.197 25.304 1.00 27.73 H new ATOM 0 HD22 ASN A 802 24.145 32.273 24.138 1.00 27.73 H new ATOM 851 N ARG A 803 22.281 28.395 28.006 1.00 31.56 N ATOM 852 CA AARG A 803 21.030 28.163 28.716 0.43 33.51 C ATOM 853 CA BARG A 803 21.032 28.149 28.713 0.57 33.39 C ATOM 854 C ARG A 803 21.190 28.761 30.085 1.00 33.96 C ATOM 855 O ARG A 803 22.203 28.528 30.762 1.00 31.07 O ATOM 856 CB AARG A 803 20.714 26.664 28.821 0.43 35.18 C ATOM 857 CB BARG A 803 20.751 26.637 28.806 0.57 35.15 C ATOM 858 CG AARG A 803 19.663 26.298 29.868 0.43 35.95 C ATOM 859 CG BARG A 803 19.436 26.257 29.488 0.57 35.45 C ATOM 860 CD AARG A 803 19.271 24.830 29.836 0.43 36.78 C ATOM 861 CD BARG A 803 19.289 24.780 29.830 0.57 38.31 C ATOM 862 NE AARG A 803 18.079 24.624 29.035 0.43 38.60 N ATOM 863 NE BARG A 803 17.925 24.552 30.299 0.57 40.64 N ATOM 864 CZ AARG A 803 16.866 24.462 29.540 0.43 35.52 C ATOM 865 CZ BARG A 803 17.532 24.061 31.473 0.57 45.33 C ATOM 866 NH1AARG A 803 16.680 24.453 30.848 0.43 38.15 N ATOM 867 NH1BARG A 803 18.381 23.607 32.398 0.57 46.01 N ATOM 868 NH2AARG A 803 15.855 24.309 28.726 0.43 31.25 N ATOM 869 NH2BARG A 803 16.224 23.989 31.703 0.57 51.29 N ATOM 0 H AARG A 803 22.982 28.231 28.476 0.43 31.56 H new ATOM 0 H BARG A 803 22.983 28.239 28.478 0.57 31.56 H new ATOM 0 HA AARG A 803 20.291 28.571 28.237 0.43 33.39 H new ATOM 0 HA BARG A 803 20.278 28.543 28.246 0.57 33.39 H new ATOM 0 HB2AARG A 803 20.411 26.349 27.955 0.43 35.15 H new ATOM 0 HB2BARG A 803 20.752 26.267 27.909 0.57 35.15 H new ATOM 0 HB3AARG A 803 21.534 26.188 29.025 0.43 35.15 H new ATOM 0 HB3BARG A 803 21.481 26.216 29.287 0.57 35.15 H new ATOM 0 HG2AARG A 803 20.004 26.517 30.750 0.43 35.45 H new ATOM 0 HG2BARG A 803 19.350 26.774 30.304 0.57 35.45 H new ATOM 0 HG3AARG A 803 18.872 26.841 29.727 0.43 35.45 H new ATOM 0 HG3BARG A 803 18.701 26.516 28.910 0.57 35.45 H new ATOM 0 HD2AARG A 803 20.002 24.305 29.474 0.43 38.31 H new ATOM 0 HD2BARG A 803 19.474 24.233 29.051 0.57 38.31 H new ATOM 0 HD3AARG A 803 19.115 24.514 30.740 0.43 38.31 H new ATOM 0 HD3BARG A 803 19.928 24.526 30.514 0.57 38.31 H new ATOM 0 HE AARG A 803 18.166 24.606 28.180 0.43 40.64 H new ATOM 0 HE BARG A 803 17.298 24.761 29.749 0.57 40.64 H new ATOM 0 HH11AARG A 803 17.350 24.553 31.378 0.43 46.01 H new ATOM 0 HH11BARG A 803 19.228 23.623 32.249 0.57 46.01 H new ATOM 0 HH12AARG A 803 15.889 24.347 31.169 0.43 46.01 H new ATOM 0 HH12BARG A 803 18.081 23.299 33.143 0.57 46.01 H new ATOM 0 HH21AARG A 803 15.983 24.314 27.876 0.43 51.29 H new ATOM 0 HH21BARG A 803 15.667 24.254 31.104 0.57 51.29 H new ATOM 0 HH22AARG A 803 15.062 24.203 29.041 0.43 51.29 H new ATOM 0 HH22BARG A 803 15.935 23.677 32.451 0.57 51.29 H new ATOM 870 N GLU A 804 20.207 29.553 30.490 1.00 35.71 N ATOM 871 CA GLU A 804 20.219 30.118 31.846 1.00 44.02 C ATOM 872 C GLU A 804 20.352 29.018 32.902 1.00 37.87 C ATOM 873 O GLU A 804 19.628 28.055 32.884 1.00 34.75 O ATOM 874 CB GLU A 804 18.934 30.896 32.077 1.00 52.12 C ATOM 875 CG GLU A 804 18.929 31.656 33.397 1.00 70.78 C ATOM 876 CD GLU A 804 17.757 32.639 33.500 1.00 84.86 C ATOM 877 OE1 GLU A 804 17.168 33.037 32.449 1.00 80.27 O ATOM 878 OE2 GLU A 804 17.421 33.010 34.647 1.00 94.26 O ATOM 0 H GLU A 804 19.531 29.777 30.009 1.00 35.71 H new ATOM 0 HA GLU A 804 20.984 30.708 31.927 1.00 44.02 H new ATOM 0 HB2 GLU A 804 18.806 31.523 31.348 1.00 52.12 H new ATOM 0 HB3 GLU A 804 18.183 30.283 32.060 1.00 52.12 H new ATOM 0 HG2 GLU A 804 18.883 31.024 34.131 1.00 70.78 H new ATOM 0 HG3 GLU A 804 19.764 32.141 33.492 1.00 70.78 H new ATOM 879 N GLY A 805 21.318 29.137 33.794 1.00 37.14 N ATOM 880 CA GLY A 805 21.468 28.160 34.871 1.00 41.59 C ATOM 881 C GLY A 805 22.248 26.900 34.513 1.00 44.05 C ATOM 882 O GLY A 805 22.387 26.006 35.359 1.00 40.70 O ATOM 0 H GLY A 805 21.898 29.772 33.799 1.00 37.14 H new ATOM 0 HA2 GLY A 805 21.909 28.592 35.619 1.00 41.59 H new ATOM 0 HA3 GLY A 805 20.585 27.899 35.175 1.00 41.59 H new ATOM 883 N SER A 806 22.787 26.813 33.283 1.00 40.08 N ATOM 884 CA SER A 806 23.601 25.653 32.920 1.00 39.21 C ATOM 885 C SER A 806 24.892 26.096 32.293 1.00 37.34 C ATOM 886 O SER A 806 24.942 27.101 31.578 1.00 34.75 O ATOM 887 CB SER A 806 22.838 24.722 31.918 1.00 43.49 C ATOM 888 OG SER A 806 21.819 23.971 32.549 1.00 43.74 O ATOM 0 H SER A 806 22.693 27.402 32.664 1.00 40.08 H new ATOM 0 HA SER A 806 23.786 25.157 33.733 1.00 39.21 H new ATOM 0 HB2 SER A 806 22.449 25.261 31.212 1.00 43.49 H new ATOM 0 HB3 SER A 806 23.469 24.117 31.498 1.00 43.49 H new ATOM 0 HG SER A 806 21.677 23.268 32.111 1.00 43.74 H new ATOM 889 N GLN A 807 25.904 25.284 32.513 1.00 36.18 N ATOM 890 CA GLN A 807 27.180 25.419 31.870 1.00 46.17 C ATOM 891 C GLN A 807 27.359 24.286 30.830 1.00 40.21 C ATOM 892 O GLN A 807 26.992 23.142 31.087 1.00 35.22 O ATOM 893 CB GLN A 807 28.291 25.346 32.927 1.00 57.01 C ATOM 894 CG GLN A 807 28.701 26.690 33.501 1.00 70.35 C ATOM 895 CD GLN A 807 29.231 27.621 32.423 1.00 80.87 C ATOM 896 OE1 GLN A 807 29.837 27.165 31.440 1.00 73.62 O ATOM 897 NE2 GLN A 807 28.963 28.928 32.568 1.00 96.28 N ATOM 0 H GLN A 807 25.862 24.620 33.058 1.00 36.18 H new ATOM 0 HA GLN A 807 27.229 26.274 31.415 1.00 46.17 H new ATOM 0 HB2 GLN A 807 27.995 24.774 33.652 1.00 57.01 H new ATOM 0 HB3 GLN A 807 29.070 24.924 32.533 1.00 57.01 H new ATOM 0 HG2 GLN A 807 27.940 27.101 33.939 1.00 70.35 H new ATOM 0 HG3 GLN A 807 29.382 26.559 34.179 1.00 70.35 H new ATOM 0 HE21 GLN A 807 28.541 29.206 33.264 1.00 96.28 H new ATOM 0 HE22 GLN A 807 29.214 29.488 31.965 1.00 96.28 H new ATOM 898 N GLY A 808 27.922 24.619 29.673 1.00 35.37 N ATOM 899 CA GLY A 808 28.292 23.613 28.688 1.00 39.22 C ATOM 900 C GLY A 808 29.269 22.526 29.188 1.00 36.81 C ATOM 901 O GLY A 808 30.049 22.768 30.101 1.00 34.73 O ATOM 0 H GLY A 808 28.099 25.428 29.439 1.00 35.37 H new ATOM 0 HA2 GLY A 808 27.484 23.180 28.371 1.00 39.22 H new ATOM 0 HA3 GLY A 808 28.692 24.060 27.926 1.00 39.22 H new ATOM 902 N PRO A 809 29.231 21.322 28.584 1.00 30.77 N ATOM 903 CA PRO A 809 30.211 20.307 28.933 1.00 30.05 C ATOM 904 C PRO A 809 31.635 20.660 28.579 1.00 29.99 C ATOM 905 O PRO A 809 31.917 21.300 27.530 1.00 34.39 O ATOM 906 CB PRO A 809 29.746 19.063 28.151 1.00 32.01 C ATOM 907 CG PRO A 809 29.056 19.634 26.961 1.00 34.34 C ATOM 908 CD PRO A 809 28.344 20.871 27.514 1.00 33.02 C ATOM 0 HA PRO A 809 30.243 20.185 29.895 1.00 30.05 H new ATOM 0 HB2 PRO A 809 30.495 18.503 27.894 1.00 32.01 H new ATOM 0 HB3 PRO A 809 29.148 18.512 28.680 1.00 32.01 H new ATOM 0 HG2 PRO A 809 29.686 19.868 26.262 1.00 34.34 H new ATOM 0 HG3 PRO A 809 28.428 19.003 26.577 1.00 34.34 H new ATOM 0 HD2 PRO A 809 28.230 21.552 26.833 1.00 33.02 H new ATOM 0 HD3 PRO A 809 27.460 20.655 27.850 1.00 33.02 H new ATOM 909 N GLN A 810 32.536 20.148 29.402 1.00 32.93 N ATOM 910 CA GLN A 810 33.969 20.285 29.159 1.00 38.40 C ATOM 911 C GLN A 810 34.371 19.664 27.849 1.00 35.83 C ATOM 912 O GLN A 810 35.254 20.223 27.182 1.00 32.27 O ATOM 913 CB GLN A 810 34.798 19.603 30.244 1.00 44.01 C ATOM 914 CG GLN A 810 34.460 20.036 31.655 1.00 57.53 C ATOM 915 CD GLN A 810 34.692 21.499 31.839 1.00 67.11 C ATOM 916 OE1 GLN A 810 35.781 22.008 31.575 1.00 78.06 O ATOM 917 NE2 GLN A 810 33.655 22.198 32.252 1.00 78.90 N ATOM 0 H GLN A 810 32.339 19.712 30.116 1.00 32.93 H new ATOM 0 HA GLN A 810 34.140 21.240 29.152 1.00 38.40 H new ATOM 0 HB2 GLN A 810 34.676 18.643 30.174 1.00 44.01 H new ATOM 0 HB3 GLN A 810 35.737 19.782 30.079 1.00 44.01 H new ATOM 0 HG2 GLN A 810 33.533 19.826 31.847 1.00 57.53 H new ATOM 0 HG3 GLN A 810 35.001 19.538 32.288 1.00 57.53 H new ATOM 0 HE21 GLN A 810 32.911 21.802 32.426 1.00 78.90 H new ATOM 0 HE22 GLN A 810 33.721 23.050 32.348 1.00 78.90 H new ATOM 918 N LYS A 811 33.757 18.521 27.473 1.00 29.46 N ATOM 919 CA LYS A 811 34.164 17.808 26.253 1.00 26.34 C ATOM 920 C LYS A 811 32.963 17.462 25.397 1.00 27.16 C ATOM 921 O LYS A 811 32.337 16.397 25.556 1.00 23.59 O ATOM 922 CB LYS A 811 34.922 16.552 26.570 1.00 29.95 C ATOM 923 CG LYS A 811 35.462 15.883 25.293 1.00 34.64 C ATOM 924 CD LYS A 811 36.320 14.664 25.657 1.00 40.05 C ATOM 925 CE LYS A 811 36.657 13.819 24.431 1.00 44.82 C ATOM 926 NZ LYS A 811 37.193 12.530 24.940 1.00 49.79 N ATOM 0 H LYS A 811 33.113 18.152 27.907 1.00 29.46 H new ATOM 0 HA LYS A 811 34.747 18.407 25.762 1.00 26.34 H new ATOM 0 HB2 LYS A 811 35.659 16.759 27.165 1.00 29.95 H new ATOM 0 HB3 LYS A 811 34.343 15.933 27.041 1.00 29.95 H new ATOM 0 HG2 LYS A 811 34.724 15.610 24.726 1.00 34.64 H new ATOM 0 HG3 LYS A 811 35.990 16.519 24.785 1.00 34.64 H new ATOM 0 HD2 LYS A 811 37.141 14.961 26.080 1.00 40.05 H new ATOM 0 HD3 LYS A 811 35.848 14.119 26.306 1.00 40.05 H new ATOM 0 HE2 LYS A 811 35.869 13.673 23.885 1.00 44.82 H new ATOM 0 HE3 LYS A 811 37.310 14.268 23.872 1.00 44.82 H new ATOM 0 HZ1 LYS A 811 37.744 12.178 24.336 1.00 49.79 H new ATOM 0 HZ2 LYS A 811 37.636 12.671 25.699 1.00 49.79 H new ATOM 0 HZ3 LYS A 811 36.520 11.967 25.090 1.00 49.79 H new ATOM 927 N PRO A 812 32.596 18.376 24.536 1.00 26.75 N ATOM 928 CA PRO A 812 31.425 18.135 23.731 1.00 27.94 C ATOM 929 C PRO A 812 31.662 16.952 22.764 1.00 25.92 C ATOM 930 O PRO A 812 32.796 16.637 22.438 1.00 25.18 O ATOM 931 CB PRO A 812 31.263 19.473 22.950 1.00 29.15 C ATOM 932 CG PRO A 812 32.061 20.477 23.751 1.00 29.53 C ATOM 933 CD PRO A 812 33.224 19.700 24.256 1.00 28.16 C ATOM 0 HA PRO A 812 30.640 17.897 24.249 1.00 27.94 H new ATOM 0 HB2 PRO A 812 31.600 19.396 22.044 1.00 29.15 H new ATOM 0 HB3 PRO A 812 30.331 19.734 22.885 1.00 29.15 H new ATOM 0 HG2 PRO A 812 32.346 21.223 23.201 1.00 29.53 H new ATOM 0 HG3 PRO A 812 31.537 20.845 24.480 1.00 29.53 H new ATOM 0 HD2 PRO A 812 33.934 19.636 23.598 1.00 28.16 H new ATOM 0 HD3 PRO A 812 33.610 20.097 25.052 1.00 28.16 H new ATOM 934 N MET A 813 30.595 16.264 22.378 1.00 22.25 N ATOM 935 CA MET A 813 30.697 15.140 21.500 1.00 19.91 C ATOM 936 C MET A 813 29.388 15.053 20.718 1.00 20.08 C ATOM 937 O MET A 813 28.342 15.320 21.241 1.00 22.37 O ATOM 938 CB MET A 813 30.909 13.859 22.360 1.00 23.02 C ATOM 939 CG MET A 813 31.394 12.585 21.646 1.00 24.41 C ATOM 940 SD MET A 813 32.654 12.795 20.367 1.00 25.39 S ATOM 941 CE MET A 813 33.946 13.342 21.439 1.00 30.10 C ATOM 0 H MET A 813 29.792 16.447 22.626 1.00 22.25 H new ATOM 0 HA MET A 813 31.442 15.228 20.885 1.00 19.91 H new ATOM 0 HB2 MET A 813 31.549 14.071 23.057 1.00 23.02 H new ATOM 0 HB3 MET A 813 30.069 13.653 22.799 1.00 23.02 H new ATOM 0 HG2 MET A 813 31.743 11.977 22.317 1.00 24.41 H new ATOM 0 HG3 MET A 813 30.624 12.153 21.244 1.00 24.41 H new ATOM 0 HE1 MET A 813 34.781 13.380 20.947 1.00 30.10 H new ATOM 0 HE2 MET A 813 33.732 14.225 21.780 1.00 30.10 H new ATOM 0 HE3 MET A 813 34.036 12.723 22.180 1.00 30.10 H new ATOM 942 N TRP A 814 29.447 14.533 19.520 1.00 18.39 N ATOM 943 CA TRP A 814 28.277 14.380 18.692 1.00 17.93 C ATOM 944 C TRP A 814 28.506 13.239 17.709 1.00 18.11 C ATOM 945 O TRP A 814 29.665 12.814 17.509 1.00 19.03 O ATOM 946 CB TRP A 814 27.947 15.735 18.032 1.00 17.99 C ATOM 947 CG TRP A 814 29.005 16.350 17.213 1.00 17.99 C ATOM 948 CD1 TRP A 814 29.099 16.280 15.837 1.00 19.24 C ATOM 949 CD2 TRP A 814 30.114 17.143 17.651 1.00 18.20 C ATOM 950 NE1 TRP A 814 30.206 16.961 15.436 1.00 19.81 N ATOM 951 CE2 TRP A 814 30.833 17.506 16.523 1.00 18.81 C ATOM 952 CE3 TRP A 814 30.569 17.559 18.897 1.00 21.22 C ATOM 953 CZ2 TRP A 814 31.977 18.269 16.572 1.00 22.82 C ATOM 954 CZ3 TRP A 814 31.730 18.322 18.975 1.00 21.97 C ATOM 955 CH2 TRP A 814 32.451 18.644 17.792 1.00 24.26 C ATOM 0 H TRP A 814 30.175 14.254 19.156 1.00 18.39 H new ATOM 0 HA TRP A 814 27.496 14.134 19.212 1.00 17.93 H new ATOM 0 HB2 TRP A 814 27.163 15.616 17.473 1.00 17.99 H new ATOM 0 HB3 TRP A 814 27.704 16.361 18.732 1.00 17.99 H new ATOM 0 HD1 TRP A 814 28.503 15.839 15.276 1.00 19.24 H new ATOM 0 HE1 TRP A 814 30.472 17.037 14.622 1.00 19.81 H new ATOM 0 HE3 TRP A 814 30.103 17.330 19.669 1.00 21.22 H new ATOM 0 HZ2 TRP A 814 32.415 18.522 15.792 1.00 22.82 H new ATOM 0 HZ3 TRP A 814 32.035 18.622 19.801 1.00 21.97 H new ATOM 0 HH2 TRP A 814 33.251 19.114 17.852 1.00 24.26 H new ATOM 956 N LEU A 815 27.431 12.694 17.146 1.00 17.12 N ATOM 957 CA LEU A 815 27.529 11.497 16.319 1.00 19.53 C ATOM 958 C LEU A 815 28.394 11.663 15.091 1.00 20.56 C ATOM 959 O LEU A 815 29.193 10.748 14.805 1.00 21.62 O ATOM 960 CB LEU A 815 26.188 10.889 15.920 1.00 20.63 C ATOM 961 CG LEU A 815 25.258 10.534 17.091 1.00 20.36 C ATOM 962 CD1 LEU A 815 23.822 10.350 16.605 1.00 20.74 C ATOM 963 CD2 LEU A 815 25.748 9.282 17.792 1.00 22.38 C ATOM 0 H LEU A 815 26.633 13.004 17.232 1.00 17.12 H new ATOM 0 HA LEU A 815 27.969 10.871 16.915 1.00 19.53 H new ATOM 0 HB2 LEU A 815 25.727 11.512 15.337 1.00 20.63 H new ATOM 0 HB3 LEU A 815 26.354 10.086 15.402 1.00 20.63 H new ATOM 0 HG LEU A 815 25.270 11.268 17.725 1.00 20.36 H new ATOM 0 HD11 LEU A 815 23.252 10.127 17.357 1.00 20.74 H new ATOM 0 HD12 LEU A 815 23.510 11.173 16.196 1.00 20.74 H new ATOM 0 HD13 LEU A 815 23.790 9.633 15.952 1.00 20.74 H new ATOM 0 HD21 LEU A 815 25.153 9.069 18.528 1.00 22.38 H new ATOM 0 HD22 LEU A 815 25.761 8.543 17.164 1.00 22.38 H new ATOM 0 HD23 LEU A 815 26.643 9.432 18.134 1.00 22.38 H new ATOM 964 N ASN A 816 28.358 12.824 14.434 1.00 21.44 N ATOM 965 CA ASN A 816 29.207 13.016 13.201 1.00 22.69 C ATOM 966 C ASN A 816 30.661 13.052 13.510 1.00 20.64 C ATOM 967 O ASN A 816 31.416 12.631 12.694 1.00 20.34 O ATOM 968 CB ASN A 816 28.829 14.217 12.367 1.00 23.40 C ATOM 969 CG ASN A 816 27.404 14.113 11.790 1.00 26.91 C ATOM 970 OD1 ASN A 816 26.806 13.014 11.650 1.00 30.19 O ATOM 971 ND2 ASN A 816 26.822 15.300 11.477 1.00 30.08 N ATOM 0 H ASN A 816 27.876 13.501 14.657 1.00 21.44 H new ATOM 0 HA ASN A 816 29.020 12.230 12.664 1.00 22.69 H new ATOM 0 HB2 ASN A 816 28.897 15.018 12.910 1.00 23.40 H new ATOM 0 HB3 ASN A 816 29.463 14.313 11.639 1.00 23.40 H new ATOM 0 HD21 ASN A 816 26.018 15.318 11.172 1.00 30.08 H new ATOM 0 HD22 ASN A 816 27.257 16.034 11.584 1.00 30.08 H new ATOM 972 N LYS A 817 31.014 13.444 14.707 1.00 19.33 N ATOM 973 CA LYS A 817 32.365 13.465 15.145 1.00 22.52 C ATOM 974 C LYS A 817 32.873 12.041 15.368 1.00 22.66 C ATOM 975 O LYS A 817 33.979 11.730 14.990 1.00 20.67 O ATOM 976 CB LYS A 817 32.502 14.295 16.393 1.00 24.23 C ATOM 977 CG LYS A 817 33.939 14.536 16.852 1.00 30.26 C ATOM 978 CD LYS A 817 33.910 15.315 18.120 1.00 36.40 C ATOM 979 CE LYS A 817 35.281 15.491 18.771 1.00 45.81 C ATOM 980 NZ LYS A 817 36.148 16.256 17.849 1.00 54.95 N ATOM 0 H LYS A 817 30.452 13.712 15.301 1.00 19.33 H new ATOM 0 HA LYS A 817 32.911 13.874 14.455 1.00 22.52 H new ATOM 0 HB2 LYS A 817 32.076 15.154 16.243 1.00 24.23 H new ATOM 0 HB3 LYS A 817 32.016 13.859 17.110 1.00 24.23 H new ATOM 0 HG2 LYS A 817 34.395 13.691 16.987 1.00 30.26 H new ATOM 0 HG3 LYS A 817 34.433 15.019 16.171 1.00 30.26 H new ATOM 0 HD2 LYS A 817 33.531 16.190 17.943 1.00 36.40 H new ATOM 0 HD3 LYS A 817 33.318 14.872 18.748 1.00 36.40 H new ATOM 0 HE2 LYS A 817 35.194 15.958 19.617 1.00 45.81 H new ATOM 0 HE3 LYS A 817 35.675 14.626 18.964 1.00 45.81 H new ATOM 0 HZ1 LYS A 817 36.902 16.478 18.266 1.00 54.95 H new ATOM 0 HZ2 LYS A 817 36.338 15.757 17.137 1.00 54.95 H new ATOM 0 HZ3 LYS A 817 35.726 16.995 17.588 1.00 54.95 H new ATOM 981 N VAL A 818 32.047 11.208 15.986 1.00 21.07 N ATOM 982 CA VAL A 818 32.323 9.809 16.164 1.00 20.46 C ATOM 983 C VAL A 818 32.427 9.074 14.827 1.00 21.55 C ATOM 984 O VAL A 818 33.341 8.321 14.638 1.00 19.01 O ATOM 985 CB VAL A 818 31.272 9.123 17.052 1.00 22.00 C ATOM 986 CG1 VAL A 818 31.544 7.633 17.129 1.00 22.42 C ATOM 987 CG2 VAL A 818 31.300 9.721 18.470 1.00 21.20 C ATOM 0 H VAL A 818 31.294 11.455 16.319 1.00 21.07 H new ATOM 0 HA VAL A 818 33.182 9.759 16.611 1.00 20.46 H new ATOM 0 HB VAL A 818 30.397 9.270 16.660 1.00 22.00 H new ATOM 0 HG11 VAL A 818 30.876 7.211 17.691 1.00 22.42 H new ATOM 0 HG12 VAL A 818 31.506 7.250 16.238 1.00 22.42 H new ATOM 0 HG13 VAL A 818 32.425 7.484 17.507 1.00 22.42 H new ATOM 0 HG21 VAL A 818 30.633 9.281 19.020 1.00 21.20 H new ATOM 0 HG22 VAL A 818 32.179 9.589 18.860 1.00 21.20 H new ATOM 0 HG23 VAL A 818 31.106 10.670 18.425 1.00 21.20 H new ATOM 988 N LYS A 819 31.489 9.321 13.911 1.00 20.28 N ATOM 989 CA LYS A 819 31.564 8.862 12.545 1.00 24.25 C ATOM 990 C LYS A 819 32.909 9.190 11.886 1.00 23.71 C ATOM 991 O LYS A 819 33.580 8.303 11.379 1.00 24.61 O ATOM 992 CB LYS A 819 30.407 9.394 11.684 1.00 25.05 C ATOM 993 CG LYS A 819 30.459 8.876 10.277 1.00 28.65 C ATOM 994 CD LYS A 819 29.303 9.287 9.388 1.00 32.81 C ATOM 995 CE LYS A 819 28.027 8.686 9.840 1.00 33.04 C ATOM 996 NZ LYS A 819 26.989 8.785 8.776 1.00 38.70 N ATOM 0 H LYS A 819 30.777 9.773 14.081 1.00 20.28 H new ATOM 0 HA LYS A 819 31.484 7.896 12.593 1.00 24.25 H new ATOM 0 HB2 LYS A 819 29.563 9.141 12.089 1.00 25.05 H new ATOM 0 HB3 LYS A 819 30.436 10.363 11.671 1.00 25.05 H new ATOM 0 HG2 LYS A 819 31.285 9.178 9.868 1.00 28.65 H new ATOM 0 HG3 LYS A 819 30.495 7.907 10.307 1.00 28.65 H new ATOM 0 HD2 LYS A 819 29.223 10.254 9.386 1.00 32.81 H new ATOM 0 HD3 LYS A 819 29.484 9.015 8.475 1.00 32.81 H new ATOM 0 HE2 LYS A 819 28.168 7.755 10.074 1.00 33.04 H new ATOM 0 HE3 LYS A 819 27.718 9.137 10.642 1.00 33.04 H new ATOM 0 HZ1 LYS A 819 26.293 8.273 8.991 1.00 38.70 H new ATOM 0 HZ2 LYS A 819 26.722 9.631 8.699 1.00 38.70 H new ATOM 0 HZ3 LYS A 819 27.330 8.510 8.001 1.00 38.70 H new ATOM 997 N THR A 820 33.355 10.417 12.025 1.00 25.16 N ATOM 998 CA THR A 820 34.668 10.818 11.447 1.00 24.93 C ATOM 999 C THR A 820 35.845 10.137 12.106 1.00 24.25 C ATOM 1000 O THR A 820 36.794 9.721 11.437 1.00 21.04 O ATOM 1001 CB THR A 820 34.768 12.332 11.541 1.00 25.51 C ATOM 1002 OG1 THR A 820 33.861 12.800 10.564 1.00 24.84 O ATOM 1003 CG2 THR A 820 36.144 12.829 11.203 1.00 32.24 C ATOM 0 H THR A 820 32.936 11.043 12.441 1.00 25.16 H new ATOM 0 HA THR A 820 34.706 10.530 10.522 1.00 24.93 H new ATOM 0 HB THR A 820 34.576 12.639 12.441 1.00 25.51 H new ATOM 0 HG1 THR A 820 33.862 13.640 10.560 1.00 24.84 H new ATOM 0 HG21 THR A 820 36.166 13.796 11.275 1.00 32.24 H new ATOM 0 HG22 THR A 820 36.787 12.445 11.819 1.00 32.24 H new ATOM 0 HG23 THR A 820 36.369 12.567 10.297 1.00 32.24 H new ATOM 1004 N SER A 821 35.779 10.040 13.421 1.00 21.80 N ATOM 1005 CA SER A 821 36.790 9.358 14.194 1.00 24.83 C ATOM 1006 C SER A 821 36.922 7.888 13.798 1.00 23.14 C ATOM 1007 O SER A 821 38.045 7.387 13.660 1.00 22.48 O ATOM 1008 CB SER A 821 36.561 9.491 15.709 1.00 23.82 C ATOM 1009 OG SER A 821 36.674 10.835 16.117 1.00 26.01 O ATOM 0 H SER A 821 35.140 10.371 13.892 1.00 21.80 H new ATOM 0 HA SER A 821 37.627 9.801 13.985 1.00 24.83 H new ATOM 0 HB2 SER A 821 35.682 9.152 15.938 1.00 23.82 H new ATOM 0 HB3 SER A 821 37.208 8.948 16.187 1.00 23.82 H new ATOM 0 HG SER A 821 35.989 11.259 15.880 1.00 26.01 H new ATOM 1010 N LEU A 822 35.811 7.209 13.631 1.00 22.58 N ATOM 1011 CA LEU A 822 35.855 5.857 13.128 1.00 24.80 C ATOM 1012 C LEU A 822 36.456 5.724 11.762 1.00 30.67 C ATOM 1013 O LEU A 822 37.247 4.783 11.461 1.00 32.61 O ATOM 1014 CB LEU A 822 34.466 5.256 13.050 1.00 24.31 C ATOM 1015 CG LEU A 822 33.988 4.550 14.249 1.00 24.38 C ATOM 1016 CD1 LEU A 822 32.533 4.164 13.970 1.00 26.31 C ATOM 1017 CD2 LEU A 822 34.820 3.299 14.587 1.00 23.13 C ATOM 0 H LEU A 822 35.023 7.509 13.802 1.00 22.58 H new ATOM 0 HA LEU A 822 36.420 5.390 13.764 1.00 24.80 H new ATOM 0 HB2 LEU A 822 33.839 5.967 12.846 1.00 24.31 H new ATOM 0 HB3 LEU A 822 34.445 4.636 12.304 1.00 24.31 H new ATOM 0 HG LEU A 822 34.073 5.131 15.021 1.00 24.38 H new ATOM 0 HD11 LEU A 822 32.170 3.693 14.736 1.00 26.31 H new ATOM 0 HD12 LEU A 822 32.011 4.965 13.807 1.00 26.31 H new ATOM 0 HD13 LEU A 822 32.494 3.589 13.190 1.00 26.31 H new ATOM 0 HD21 LEU A 822 34.461 2.876 15.383 1.00 23.13 H new ATOM 0 HD22 LEU A 822 34.783 2.675 13.845 1.00 23.13 H new ATOM 0 HD23 LEU A 822 35.742 3.556 14.746 1.00 23.13 H new ATOM 1018 N ASN A 823 36.010 6.612 10.899 1.00 34.10 N ATOM 1019 CA ASN A 823 36.470 6.627 9.514 1.00 33.99 C ATOM 1020 C ASN A 823 37.969 6.872 9.420 1.00 32.34 C ATOM 1021 O ASN A 823 38.625 6.261 8.581 1.00 31.82 O ATOM 1022 CB ASN A 823 35.704 7.679 8.684 1.00 33.35 C ATOM 1023 CG ASN A 823 36.218 7.756 7.269 1.00 39.61 C ATOM 1024 OD1 ASN A 823 36.890 8.711 6.862 1.00 47.22 O ATOM 1025 ND2 ASN A 823 35.975 6.716 6.543 1.00 36.59 N ATOM 0 H ASN A 823 35.436 7.223 11.090 1.00 34.10 H new ATOM 0 HA ASN A 823 36.287 5.749 9.145 1.00 33.99 H new ATOM 0 HB2 ASN A 823 34.760 7.458 8.674 1.00 33.35 H new ATOM 0 HB3 ASN A 823 35.788 8.548 9.107 1.00 33.35 H new ATOM 0 HD21 ASN A 823 36.285 6.669 5.742 1.00 36.59 H new ATOM 0 HD22 ASN A 823 35.503 6.071 6.860 1.00 36.59 H new ATOM 1026 N GLU A 824 38.513 7.726 10.276 1.00 29.58 N ATOM 1027 CA GLU A 824 39.940 8.041 10.252 1.00 33.31 C ATOM 1028 C GLU A 824 40.746 7.080 11.164 1.00 32.13 C ATOM 1029 O GLU A 824 41.902 7.352 11.444 1.00 32.11 O ATOM 1030 CB GLU A 824 40.151 9.528 10.611 1.00 36.67 C ATOM 1031 CG GLU A 824 39.727 10.454 9.458 1.00 48.25 C ATOM 1032 CD GLU A 824 39.615 11.978 9.789 1.00 70.34 C ATOM 1033 OE1 GLU A 824 39.988 12.419 10.915 1.00 79.38 O ATOM 1034 OE2 GLU A 824 39.144 12.780 8.897 1.00 79.21 O ATOM 0 H GLU A 824 38.070 8.139 10.886 1.00 29.58 H new ATOM 0 HA GLU A 824 40.283 7.904 9.355 1.00 33.31 H new ATOM 0 HB2 GLU A 824 39.640 9.745 11.406 1.00 36.67 H new ATOM 0 HB3 GLU A 824 41.085 9.681 10.823 1.00 36.67 H new ATOM 0 HG2 GLU A 824 40.363 10.347 8.734 1.00 48.25 H new ATOM 0 HG3 GLU A 824 38.867 10.152 9.127 1.00 48.25 H new ATOM 1035 N GLN A 825 40.124 5.983 11.618 1.00 30.07 N ATOM 1036 CA GLN A 825 40.771 4.971 12.472 1.00 29.33 C ATOM 1037 C GLN A 825 41.438 5.558 13.679 1.00 27.73 C ATOM 1038 O GLN A 825 42.580 5.240 13.922 1.00 27.03 O ATOM 1039 CB GLN A 825 41.807 4.173 11.644 1.00 30.92 C ATOM 1040 CG GLN A 825 41.139 3.401 10.534 1.00 34.49 C ATOM 1041 CD GLN A 825 42.049 2.965 9.415 1.00 35.97 C ATOM 1042 OE1 GLN A 825 42.801 3.758 8.866 1.00 38.33 O ATOM 1043 NE2 GLN A 825 41.900 1.726 9.004 1.00 33.58 N ATOM 0 H GLN A 825 39.303 5.803 11.436 1.00 30.07 H new ATOM 0 HA GLN A 825 40.068 4.385 12.794 1.00 29.33 H new ATOM 0 HB2 GLN A 825 42.463 4.781 11.269 1.00 30.92 H new ATOM 0 HB3 GLN A 825 42.286 3.561 12.224 1.00 30.92 H new ATOM 0 HG2 GLN A 825 40.719 2.614 10.915 1.00 34.49 H new ATOM 0 HG3 GLN A 825 40.430 3.948 10.160 1.00 34.49 H new ATOM 0 HE21 GLN A 825 41.361 1.198 9.417 1.00 33.58 H new ATOM 0 HE22 GLN A 825 42.341 1.443 8.322 1.00 33.58 H new ATOM 1044 N MET A 826 40.752 6.411 14.419 1.00 26.92 N ATOM 1045 CA AMET A 826 41.324 7.081 15.581 0.53 26.20 C ATOM 1046 CA BMET A 826 41.322 7.101 15.582 0.47 27.13 C ATOM 1047 C MET A 826 41.115 6.300 16.860 1.00 26.47 C ATOM 1048 O MET A 826 41.719 6.607 17.858 1.00 28.81 O ATOM 1049 CB AMET A 826 40.703 8.480 15.771 0.53 29.86 C ATOM 1050 CB BMET A 826 40.709 8.514 15.804 0.47 32.14 C ATOM 1051 CG AMET A 826 40.943 9.426 14.598 0.53 33.69 C ATOM 1052 CG BMET A 826 40.789 9.496 14.626 0.47 37.84 C ATOM 1053 SD AMET A 826 42.677 9.884 14.451 0.53 36.81 S ATOM 1054 SD BMET A 826 40.493 11.232 15.097 0.47 45.96 S ATOM 1055 CE AMET A 826 43.007 10.634 16.053 0.53 35.78 C ATOM 1056 CE BMET A 826 39.801 11.893 13.593 0.47 42.89 C ATOM 0 H AMET A 826 39.933 6.622 14.263 0.53 26.92 H new ATOM 0 H BMET A 826 39.931 6.614 14.265 0.47 26.92 H new ATOM 0 HA AMET A 826 42.276 7.151 15.406 0.53 27.13 H new ATOM 0 HA BMET A 826 42.268 7.192 15.387 0.47 27.13 H new ATOM 0 HB2AMET A 826 39.747 8.384 15.908 0.53 32.14 H new ATOM 0 HB2BMET A 826 39.775 8.404 16.043 0.47 32.14 H new ATOM 0 HB3AMET A 826 41.067 8.879 16.577 0.53 32.14 H new ATOM 0 HB3BMET A 826 41.152 8.919 16.566 0.47 32.14 H new ATOM 0 HG2AMET A 826 40.650 9.003 13.776 0.53 37.84 H new ATOM 0 HG2BMET A 826 41.665 9.426 14.216 0.47 37.84 H new ATOM 0 HG3AMET A 826 40.406 10.226 14.712 0.53 37.84 H new ATOM 0 HG3BMET A 826 40.139 9.236 13.954 0.47 37.84 H new ATOM 0 HE1AMET A 826 43.747 11.256 15.973 0.53 42.89 H new ATOM 0 HE1BMET A 826 40.235 12.734 13.379 0.47 42.89 H new ATOM 0 HE2AMET A 826 42.218 11.109 16.357 0.53 42.89 H new ATOM 0 HE2BMET A 826 39.942 11.264 12.868 0.47 42.89 H new ATOM 0 HE3AMET A 826 43.234 9.942 16.694 0.53 42.89 H new ATOM 0 HE3BMET A 826 38.850 12.041 13.712 0.47 42.89 H new ATOM 1057 N TYR A 827 40.235 5.317 16.866 1.00 22.53 N ATOM 1058 CA TYR A 827 40.072 4.472 18.055 1.00 23.23 C ATOM 1059 C TYR A 827 40.944 3.223 17.952 1.00 24.27 C ATOM 1060 O TYR A 827 40.912 2.550 16.945 1.00 25.91 O ATOM 1061 CB TYR A 827 38.609 4.033 18.225 1.00 21.45 C ATOM 1062 CG TYR A 827 37.625 5.205 18.339 1.00 18.83 C ATOM 1063 CD1 TYR A 827 37.706 6.105 19.381 1.00 18.75 C ATOM 1064 CD2 TYR A 827 36.627 5.409 17.367 1.00 19.59 C ATOM 1065 CE1 TYR A 827 36.807 7.168 19.504 1.00 20.38 C ATOM 1066 CE2 TYR A 827 35.747 6.478 17.462 1.00 20.38 C ATOM 1067 CZ TYR A 827 35.830 7.359 18.528 1.00 21.64 C ATOM 1068 OH TYR A 827 34.901 8.400 18.639 1.00 21.73 O ATOM 0 H TYR A 827 39.723 5.116 16.205 1.00 22.53 H new ATOM 0 HA TYR A 827 40.342 5.000 18.822 1.00 23.23 H new ATOM 0 HB2 TYR A 827 38.355 3.480 17.470 1.00 21.45 H new ATOM 0 HB3 TYR A 827 38.535 3.480 19.019 1.00 21.45 H new ATOM 0 HD1 TYR A 827 38.376 6.002 20.018 1.00 18.75 H new ATOM 0 HD2 TYR A 827 36.557 4.819 16.651 1.00 19.59 H new ATOM 0 HE1 TYR A 827 36.860 7.744 20.232 1.00 20.38 H new ATOM 0 HE2 TYR A 827 35.099 6.603 16.807 1.00 20.38 H new ATOM 0 HH TYR A 827 35.030 8.816 19.358 1.00 21.73 H new ATOM 1069 N THR A 828 41.732 2.932 18.989 1.00 24.34 N ATOM 1070 CA THR A 828 42.592 1.738 19.003 1.00 22.13 C ATOM 1071 C THR A 828 41.893 0.581 19.692 1.00 22.28 C ATOM 1072 O THR A 828 42.201 -0.575 19.413 1.00 22.31 O ATOM 1073 CB THR A 828 43.913 2.013 19.681 1.00 24.27 C ATOM 1074 OG1 THR A 828 43.654 2.464 20.991 1.00 25.11 O ATOM 1075 CG2 THR A 828 44.664 3.080 18.960 1.00 26.75 C ATOM 0 H THR A 828 41.785 3.414 19.699 1.00 24.34 H new ATOM 0 HA THR A 828 42.768 1.499 18.079 1.00 22.13 H new ATOM 0 HB THR A 828 44.442 1.200 19.684 1.00 24.27 H new ATOM 0 HG1 THR A 828 43.501 3.290 20.978 1.00 25.11 H new ATOM 0 HG21 THR A 828 45.508 3.242 19.410 1.00 26.75 H new ATOM 0 HG22 THR A 828 44.833 2.797 18.048 1.00 26.75 H new ATOM 0 HG23 THR A 828 44.140 3.896 18.953 1.00 26.75 H new ATOM 1076 N ARG A 829 40.935 0.891 20.571 1.00 21.85 N ATOM 1077 CA AARG A 829 40.124 -0.128 21.229 0.23 21.94 C ATOM 1078 CA BARG A 829 40.129 -0.112 21.231 0.77 21.38 C ATOM 1079 C ARG A 829 38.623 0.208 21.212 1.00 20.89 C ATOM 1080 O ARG A 829 38.231 1.379 21.082 1.00 19.39 O ATOM 1081 CB AARG A 829 40.616 -0.317 22.672 0.23 24.45 C ATOM 1082 CB BARG A 829 40.598 -0.208 22.680 0.77 25.85 C ATOM 1083 CG AARG A 829 42.017 -0.939 22.765 0.23 26.13 C ATOM 1084 CG BARG A 829 41.969 -0.904 22.821 0.77 28.11 C ATOM 1085 CD AARG A 829 42.487 -1.178 24.189 0.23 27.64 C ATOM 1086 CD BARG A 829 42.467 -0.928 24.230 0.77 29.53 C ATOM 1087 NE AARG A 829 43.591 -2.146 24.232 0.23 30.11 N ATOM 1088 NE BARG A 829 43.929 -1.113 24.251 0.77 32.31 N ATOM 1089 CZ AARG A 829 44.876 -1.852 24.031 0.23 31.39 C ATOM 1090 CZ BARG A 829 44.590 -2.271 24.307 0.77 37.16 C ATOM 1091 NH1AARG A 829 45.254 -0.612 23.813 0.23 31.03 N ATOM 1092 NH1BARG A 829 43.959 -3.466 24.373 0.77 36.34 N ATOM 1093 NH2AARG A 829 45.799 -2.802 24.068 0.23 33.22 N ATOM 1094 NH2BARG A 829 45.934 -2.230 24.284 0.77 38.71 N ATOM 0 H AARG A 829 40.740 1.697 20.799 0.23 21.85 H new ATOM 0 H BARG A 829 40.741 1.698 20.796 0.77 21.85 H new ATOM 0 HA AARG A 829 40.228 -0.955 20.732 0.23 21.38 H new ATOM 0 HA BARG A 829 40.242 -0.948 20.752 0.77 21.38 H new ATOM 0 HB2AARG A 829 40.622 0.544 23.120 0.23 25.85 H new ATOM 0 HB2BARG A 829 40.652 0.684 23.058 0.77 25.85 H new ATOM 0 HB3AARG A 829 39.987 -0.881 23.149 0.23 25.85 H new ATOM 0 HB3BARG A 829 39.938 -0.695 23.197 0.77 25.85 H new ATOM 0 HG2AARG A 829 42.020 -1.783 22.286 0.23 28.11 H new ATOM 0 HG2BARG A 829 41.900 -1.814 22.492 0.77 28.11 H new ATOM 0 HG3AARG A 829 42.651 -0.357 22.317 0.23 28.11 H new ATOM 0 HG3BARG A 829 42.617 -0.448 22.261 0.77 28.11 H new ATOM 0 HD2AARG A 829 42.774 -0.339 24.582 0.23 29.53 H new ATOM 0 HD2BARG A 829 42.233 -0.100 24.677 0.77 29.53 H new ATOM 0 HD3AARG A 829 41.747 -1.504 24.725 0.23 29.53 H new ATOM 0 HD3BARG A 829 42.037 -1.646 24.720 0.77 29.53 H new ATOM 0 HE AARG A 829 43.393 -2.966 24.400 0.23 32.31 H new ATOM 0 HE BARG A 829 44.407 -0.399 24.224 0.77 32.31 H new ATOM 0 HH11AARG A 829 44.670 0.019 23.799 0.23 36.34 H new ATOM 0 HH11BARG A 829 43.100 -3.499 24.380 0.77 36.34 H new ATOM 0 HH12AARG A 829 46.085 -0.432 23.684 0.23 36.34 H new ATOM 0 HH12BARG A 829 44.417 -4.193 24.408 0.77 36.34 H new ATOM 0 HH21AARG A 829 45.571 -3.617 24.223 0.23 38.71 H new ATOM 0 HH21BARG A 829 46.340 -1.474 24.235 0.77 38.71 H new ATOM 0 HH22AARG A 829 46.626 -2.604 23.937 0.23 38.71 H new ATOM 0 HH22BARG A 829 46.387 -2.960 24.319 0.77 38.71 H new ATOM 1095 N VAL A 830 37.788 -0.813 21.443 1.00 19.18 N ATOM 1096 CA VAL A 830 36.329 -0.653 21.505 1.00 20.63 C ATOM 1097 C VAL A 830 35.941 0.423 22.554 1.00 23.68 C ATOM 1098 O VAL A 830 35.057 1.262 22.338 1.00 20.06 O ATOM 1099 CB VAL A 830 35.647 -1.972 21.735 1.00 20.22 C ATOM 1100 CG1 VAL A 830 34.171 -1.808 21.972 1.00 22.85 C ATOM 1101 CG2 VAL A 830 35.759 -2.835 20.486 1.00 24.21 C ATOM 0 H VAL A 830 38.054 -1.621 21.569 1.00 19.18 H new ATOM 0 HA VAL A 830 36.013 -0.333 20.646 1.00 20.63 H new ATOM 0 HB VAL A 830 36.077 -2.370 22.508 1.00 20.22 H new ATOM 0 HG11 VAL A 830 33.767 -2.678 22.116 1.00 22.85 H new ATOM 0 HG12 VAL A 830 34.028 -1.253 22.754 1.00 22.85 H new ATOM 0 HG13 VAL A 830 33.764 -1.387 21.199 1.00 22.85 H new ATOM 0 HG21 VAL A 830 35.318 -3.685 20.639 1.00 24.21 H new ATOM 0 HG22 VAL A 830 35.336 -2.381 19.740 1.00 24.21 H new ATOM 0 HG23 VAL A 830 36.695 -2.989 20.282 1.00 24.21 H new ATOM 1102 N GLU A 831 36.662 0.407 23.662 1.00 21.32 N ATOM 1103 CA GLU A 831 36.458 1.296 24.747 1.00 25.57 C ATOM 1104 C GLU A 831 36.440 2.785 24.329 1.00 22.41 C ATOM 1105 O GLU A 831 35.667 3.526 24.829 1.00 19.10 O ATOM 1106 CB GLU A 831 37.622 1.085 25.682 1.00 29.17 C ATOM 1107 CG GLU A 831 37.590 1.855 26.936 1.00 39.75 C ATOM 1108 CD GLU A 831 38.821 1.450 27.759 1.00 52.26 C ATOM 1109 OE1 GLU A 831 39.958 1.326 27.136 1.00 45.17 O ATOM 1110 OE2 GLU A 831 38.585 1.191 28.978 1.00 51.92 O ATOM 0 H GLU A 831 37.305 -0.149 23.792 1.00 21.32 H new ATOM 0 HA GLU A 831 35.593 1.109 25.145 1.00 25.57 H new ATOM 0 HB2 GLU A 831 37.669 0.142 25.903 1.00 29.17 H new ATOM 0 HB3 GLU A 831 38.439 1.306 25.208 1.00 29.17 H new ATOM 0 HG2 GLU A 831 37.601 2.807 26.752 1.00 39.75 H new ATOM 0 HG3 GLU A 831 36.775 1.671 27.429 1.00 39.75 H new ATOM 1111 N GLY A 832 37.293 3.170 23.399 1.00 21.32 N ATOM 1112 CA GLY A 832 37.381 4.532 22.910 1.00 21.98 C ATOM 1113 C GLY A 832 36.084 4.961 22.235 1.00 22.66 C ATOM 1114 O GLY A 832 35.561 6.062 22.505 1.00 19.86 O ATOM 0 H GLY A 832 37.851 2.634 23.025 1.00 21.32 H new ATOM 0 HA2 GLY A 832 37.578 5.131 23.647 1.00 21.98 H new ATOM 0 HA3 GLY A 832 38.116 4.605 22.281 1.00 21.98 H new ATOM 1115 N PHE A 833 35.562 4.079 21.408 1.00 20.95 N ATOM 1116 CA PHE A 833 34.339 4.366 20.669 1.00 20.45 C ATOM 1117 C PHE A 833 33.180 4.451 21.664 1.00 19.86 C ATOM 1118 O PHE A 833 32.418 5.391 21.653 1.00 19.11 O ATOM 1119 CB PHE A 833 34.117 3.290 19.606 1.00 20.17 C ATOM 1120 CG PHE A 833 32.700 3.235 19.053 1.00 17.46 C ATOM 1121 CD1 PHE A 833 32.288 4.157 18.117 1.00 18.37 C ATOM 1122 CD2 PHE A 833 31.804 2.274 19.499 1.00 18.07 C ATOM 1123 CE1 PHE A 833 30.990 4.132 17.590 1.00 18.99 C ATOM 1124 CE2 PHE A 833 30.485 2.277 19.023 1.00 19.86 C ATOM 1125 CZ PHE A 833 30.095 3.185 18.047 1.00 18.88 C ATOM 0 H PHE A 833 35.898 3.302 21.256 1.00 20.95 H new ATOM 0 HA PHE A 833 34.403 5.215 20.205 1.00 20.45 H new ATOM 0 HB2 PHE A 833 34.733 3.444 18.873 1.00 20.17 H new ATOM 0 HB3 PHE A 833 34.338 2.425 19.986 1.00 20.17 H new ATOM 0 HD1 PHE A 833 32.884 4.810 17.829 1.00 18.37 H new ATOM 0 HD2 PHE A 833 32.077 1.630 20.112 1.00 18.07 H new ATOM 0 HE1 PHE A 833 30.734 4.746 16.940 1.00 18.99 H new ATOM 0 HE2 PHE A 833 29.869 1.669 19.362 1.00 19.86 H new ATOM 0 HZ PHE A 833 29.232 3.155 17.702 1.00 18.88 H new ATOM 1126 N VAL A 834 33.091 3.470 22.549 1.00 22.12 N ATOM 1127 CA VAL A 834 31.980 3.376 23.507 1.00 20.25 C ATOM 1128 C VAL A 834 32.004 4.541 24.471 1.00 20.62 C ATOM 1129 O VAL A 834 30.959 5.088 24.745 1.00 17.80 O ATOM 1130 CB VAL A 834 31.973 1.999 24.264 1.00 20.16 C ATOM 1131 CG1 VAL A 834 31.030 1.989 25.453 1.00 18.68 C ATOM 1132 CG2 VAL A 834 31.639 0.853 23.304 1.00 19.19 C ATOM 0 H VAL A 834 33.669 2.837 22.618 1.00 22.12 H new ATOM 0 HA VAL A 834 31.153 3.421 23.003 1.00 20.25 H new ATOM 0 HB VAL A 834 32.869 1.869 24.613 1.00 20.16 H new ATOM 0 HG11 VAL A 834 31.062 1.121 25.884 1.00 18.68 H new ATOM 0 HG12 VAL A 834 31.299 2.674 26.085 1.00 18.68 H new ATOM 0 HG13 VAL A 834 30.126 2.166 25.150 1.00 18.68 H new ATOM 0 HG21 VAL A 834 31.640 0.013 23.790 1.00 19.19 H new ATOM 0 HG22 VAL A 834 30.762 1.001 22.916 1.00 19.19 H new ATOM 0 HG23 VAL A 834 32.303 0.818 22.598 1.00 19.19 H new ATOM 1133 N GLN A 835 33.180 4.951 24.939 1.00 20.72 N ATOM 1134 CA GLN A 835 33.279 6.150 25.800 1.00 23.42 C ATOM 1135 C GLN A 835 32.752 7.439 25.163 1.00 23.50 C ATOM 1136 O GLN A 835 32.039 8.197 25.823 1.00 22.11 O ATOM 1137 CB GLN A 835 34.724 6.404 26.287 1.00 24.35 C ATOM 1138 CG GLN A 835 35.060 5.387 27.351 1.00 31.18 C ATOM 1139 CD GLN A 835 36.532 5.333 27.805 1.00 37.57 C ATOM 1140 OE1 GLN A 835 37.420 5.898 27.179 1.00 34.75 O ATOM 1141 NE2 GLN A 835 36.764 4.635 28.936 1.00 41.63 N ATOM 0 H GLN A 835 33.929 4.561 24.777 1.00 20.72 H new ATOM 0 HA GLN A 835 32.703 5.935 26.551 1.00 23.42 H new ATOM 0 HB2 GLN A 835 35.346 6.334 25.546 1.00 24.35 H new ATOM 0 HB3 GLN A 835 34.806 7.303 26.642 1.00 24.35 H new ATOM 0 HG2 GLN A 835 34.508 5.566 28.128 1.00 31.18 H new ATOM 0 HG3 GLN A 835 34.811 4.509 27.022 1.00 31.18 H new ATOM 0 HE21 GLN A 835 36.112 4.252 29.346 1.00 41.63 H new ATOM 0 HE22 GLN A 835 37.564 4.573 29.246 1.00 41.63 H new ATOM 1142 N ASP A 836 33.179 7.737 23.954 1.00 20.12 N ATOM 1143 CA ASP A 836 32.619 8.831 23.202 1.00 18.90 C ATOM 1144 C ASP A 836 31.121 8.729 23.012 1.00 18.54 C ATOM 1145 O ASP A 836 30.440 9.744 23.197 1.00 17.39 O ATOM 1146 CB ASP A 836 33.254 8.987 21.832 1.00 19.84 C ATOM 1147 CG ASP A 836 34.641 9.673 21.891 1.00 23.70 C ATOM 1148 OD1 ASP A 836 35.022 10.127 22.986 1.00 24.09 O ATOM 1149 OD2 ASP A 836 35.301 9.732 20.801 1.00 21.59 O ATOM 0 H ASP A 836 33.803 7.309 23.546 1.00 20.12 H new ATOM 0 HA ASP A 836 32.816 9.609 23.746 1.00 18.90 H new ATOM 0 HB2 ASP A 836 33.347 8.113 21.421 1.00 19.84 H new ATOM 0 HB3 ASP A 836 32.664 9.507 21.264 1.00 19.84 H new ATOM 1150 N MET A 837 30.605 7.584 22.620 1.00 17.71 N ATOM 1151 CA MET A 837 29.138 7.451 22.478 1.00 18.00 C ATOM 1152 C MET A 837 28.404 7.765 23.773 1.00 20.07 C ATOM 1153 O MET A 837 27.384 8.550 23.758 1.00 18.85 O ATOM 1154 CB MET A 837 28.713 6.099 21.942 1.00 16.19 C ATOM 1155 CG MET A 837 29.142 5.817 20.531 1.00 18.34 C ATOM 1156 SD MET A 837 28.347 6.835 19.273 1.00 19.41 S ATOM 1157 CE MET A 837 26.771 6.018 19.239 1.00 16.97 C ATOM 0 H MET A 837 31.059 6.878 22.431 1.00 17.71 H new ATOM 0 HA MET A 837 28.884 8.114 21.817 1.00 18.00 H new ATOM 0 HB2 MET A 837 29.073 5.408 22.520 1.00 16.19 H new ATOM 0 HB3 MET A 837 27.746 6.035 21.992 1.00 16.19 H new ATOM 0 HG2 MET A 837 30.102 5.941 20.469 1.00 18.34 H new ATOM 0 HG3 MET A 837 28.963 4.884 20.333 1.00 18.34 H new ATOM 0 HE1 MET A 837 26.352 6.159 18.376 1.00 16.97 H new ATOM 0 HE2 MET A 837 26.896 5.067 19.386 1.00 16.97 H new ATOM 0 HE3 MET A 837 26.203 6.381 19.937 1.00 16.97 H new ATOM 1158 N ARG A 838 28.885 7.200 24.893 1.00 19.94 N ATOM 1159 CA ARG A 838 28.187 7.417 26.167 1.00 21.82 C ATOM 1160 C ARG A 838 28.338 8.859 26.635 1.00 20.88 C ATOM 1161 O ARG A 838 27.473 9.410 27.312 1.00 19.08 O ATOM 1162 CB ARG A 838 28.728 6.457 27.261 1.00 23.40 C ATOM 1163 CG ARG A 838 28.247 5.012 27.038 1.00 25.23 C ATOM 1164 CD ARG A 838 28.894 3.981 27.959 1.00 22.97 C ATOM 1165 NE ARG A 838 28.185 2.697 27.864 1.00 25.41 N ATOM 1166 CZ ARG A 838 28.686 1.514 28.283 1.00 26.13 C ATOM 1167 NH1 ARG A 838 29.897 1.465 28.856 1.00 25.14 N ATOM 1168 NH2 ARG A 838 27.951 0.400 28.177 1.00 25.85 N ATOM 0 H ARG A 838 29.588 6.706 24.935 1.00 19.94 H new ATOM 0 HA ARG A 838 27.246 7.233 26.020 1.00 21.82 H new ATOM 0 HB2 ARG A 838 29.698 6.479 27.261 1.00 23.40 H new ATOM 0 HB3 ARG A 838 28.437 6.764 28.134 1.00 23.40 H new ATOM 0 HG2 ARG A 838 27.285 4.981 27.161 1.00 25.23 H new ATOM 0 HG3 ARG A 838 28.424 4.763 26.117 1.00 25.23 H new ATOM 0 HD2 ARG A 838 29.826 3.862 27.717 1.00 22.97 H new ATOM 0 HD3 ARG A 838 28.877 4.300 28.875 1.00 22.97 H new ATOM 0 HE ARG A 838 27.398 2.699 27.518 1.00 25.41 H new ATOM 0 HH11 ARG A 838 30.355 2.186 28.957 1.00 25.14 H new ATOM 0 HH12 ARG A 838 30.216 0.712 29.123 1.00 25.14 H new ATOM 0 HH21 ARG A 838 27.160 0.437 27.842 1.00 25.85 H new ATOM 0 HH22 ARG A 838 28.270 -0.353 28.444 1.00 25.85 H new ATOM 1169 N LEU A 839 29.450 9.461 26.257 1.00 21.03 N ATOM 1170 CA LEU A 839 29.688 10.867 26.538 1.00 23.97 C ATOM 1171 C LEU A 839 28.597 11.770 25.941 1.00 22.85 C ATOM 1172 O LEU A 839 28.136 12.716 26.589 1.00 21.34 O ATOM 1173 CB LEU A 839 31.068 11.311 26.033 1.00 23.93 C ATOM 1174 CG LEU A 839 31.525 12.723 26.429 1.00 27.02 C ATOM 1175 CD1 LEU A 839 31.589 12.888 27.942 1.00 27.65 C ATOM 1176 CD2 LEU A 839 32.885 12.949 25.841 1.00 27.39 C ATOM 0 H LEU A 839 30.087 9.070 25.832 1.00 21.03 H new ATOM 0 HA LEU A 839 29.661 10.963 27.503 1.00 23.97 H new ATOM 0 HB2 LEU A 839 31.727 10.677 26.357 1.00 23.93 H new ATOM 0 HB3 LEU A 839 31.070 11.252 25.065 1.00 23.93 H new ATOM 0 HG LEU A 839 30.886 13.370 26.093 1.00 27.02 H new ATOM 0 HD11 LEU A 839 31.880 13.788 28.158 1.00 27.65 H new ATOM 0 HD12 LEU A 839 30.710 12.733 28.322 1.00 27.65 H new ATOM 0 HD13 LEU A 839 32.218 12.248 28.311 1.00 27.65 H new ATOM 0 HD21 LEU A 839 33.197 13.837 26.078 1.00 27.39 H new ATOM 0 HD22 LEU A 839 33.502 12.287 26.189 1.00 27.39 H new ATOM 0 HD23 LEU A 839 32.837 12.870 24.875 1.00 27.39 H new ATOM 1177 N ILE A 840 28.177 11.454 24.723 1.00 21.80 N ATOM 1178 CA ILE A 840 27.123 12.241 24.061 1.00 22.61 C ATOM 1179 C ILE A 840 25.907 12.355 24.966 1.00 21.38 C ATOM 1180 O ILE A 840 25.315 13.429 25.160 1.00 21.47 O ATOM 1181 CB ILE A 840 26.716 11.578 22.721 1.00 19.88 C ATOM 1182 CG1 ILE A 840 27.901 11.646 21.759 1.00 19.48 C ATOM 1183 CG2 ILE A 840 25.453 12.180 22.132 1.00 18.28 C ATOM 1184 CD1 ILE A 840 27.656 10.887 20.505 1.00 21.14 C ATOM 0 H ILE A 840 28.481 10.796 24.260 1.00 21.80 H new ATOM 0 HA ILE A 840 27.470 13.129 23.881 1.00 22.61 H new ATOM 0 HB ILE A 840 26.495 10.648 22.885 1.00 19.88 H new ATOM 0 HG12 ILE A 840 28.086 12.573 21.542 1.00 19.48 H new ATOM 0 HG13 ILE A 840 28.691 11.294 22.198 1.00 19.48 H new ATOM 0 HG21 ILE A 840 25.240 11.734 21.298 1.00 18.28 H new ATOM 0 HG22 ILE A 840 24.719 12.066 22.756 1.00 18.28 H new ATOM 0 HG23 ILE A 840 25.592 13.126 21.966 1.00 18.28 H new ATOM 0 HD11 ILE A 840 28.432 10.958 19.927 1.00 21.14 H new ATOM 0 HD12 ILE A 840 27.496 9.954 20.717 1.00 21.14 H new ATOM 0 HD13 ILE A 840 26.881 11.253 20.051 1.00 21.14 H new ATOM 1185 N PHE A 841 25.475 11.231 25.473 1.00 21.60 N ATOM 1186 CA PHE A 841 24.219 11.213 26.235 1.00 22.22 C ATOM 1187 C PHE A 841 24.424 11.772 27.621 1.00 22.12 C ATOM 1188 O PHE A 841 23.534 12.424 28.161 1.00 22.57 O ATOM 1189 CB PHE A 841 23.587 9.823 26.237 1.00 21.09 C ATOM 1190 CG PHE A 841 23.543 9.241 24.895 1.00 21.16 C ATOM 1191 CD1 PHE A 841 22.794 9.863 23.887 1.00 22.49 C ATOM 1192 CD2 PHE A 841 24.285 8.118 24.585 1.00 22.19 C ATOM 1193 CE1 PHE A 841 22.795 9.373 22.606 1.00 23.92 C ATOM 1194 CE2 PHE A 841 24.257 7.592 23.302 1.00 20.50 C ATOM 1195 CZ PHE A 841 23.522 8.226 22.312 1.00 22.48 C ATOM 0 H PHE A 841 25.872 10.472 25.400 1.00 21.60 H new ATOM 0 HA PHE A 841 23.582 11.795 25.792 1.00 22.22 H new ATOM 0 HB2 PHE A 841 24.091 9.240 26.826 1.00 21.09 H new ATOM 0 HB3 PHE A 841 22.687 9.878 26.595 1.00 21.09 H new ATOM 0 HD1 PHE A 841 22.290 10.618 24.089 1.00 22.49 H new ATOM 0 HD2 PHE A 841 24.806 7.712 25.240 1.00 22.19 H new ATOM 0 HE1 PHE A 841 22.312 9.805 21.939 1.00 23.92 H new ATOM 0 HE2 PHE A 841 24.730 6.816 23.106 1.00 20.50 H new ATOM 0 HZ PHE A 841 23.516 7.882 21.448 1.00 22.48 H new ATOM 1196 N HIS A 842 25.571 11.521 28.193 1.00 22.54 N ATOM 1197 CA HIS A 842 25.845 12.041 29.516 1.00 27.06 C ATOM 1198 C HIS A 842 25.907 13.571 29.505 1.00 26.97 C ATOM 1199 O HIS A 842 25.428 14.225 30.451 1.00 22.75 O ATOM 1200 CB HIS A 842 27.166 11.543 30.026 1.00 30.41 C ATOM 1201 CG HIS A 842 27.389 11.823 31.471 1.00 36.20 C ATOM 1202 ND1 HIS A 842 28.288 12.760 31.921 1.00 41.59 N ATOM 1203 CD2 HIS A 842 26.820 11.288 32.578 1.00 43.31 C ATOM 1204 CE1 HIS A 842 28.285 12.780 33.244 1.00 42.81 C ATOM 1205 NE2 HIS A 842 27.402 11.894 33.667 1.00 45.32 N ATOM 0 H HIS A 842 26.204 11.057 27.842 1.00 22.54 H new ATOM 0 HA HIS A 842 25.124 11.737 30.089 1.00 27.06 H new ATOM 0 HB2 HIS A 842 27.222 10.586 29.877 1.00 30.41 H new ATOM 0 HB3 HIS A 842 27.879 11.953 29.511 1.00 30.41 H new ATOM 0 HD1 HIS A 842 28.778 13.258 31.419 1.00 41.59 H new ATOM 0 HD2 HIS A 842 26.160 10.634 32.598 1.00 43.31 H new ATOM 0 HE1 HIS A 842 28.813 13.324 33.783 1.00 42.81 H new ATOM 1206 N ASN A 843 26.549 14.130 28.479 1.00 23.28 N ATOM 1207 CA ASN A 843 26.668 15.571 28.399 1.00 21.54 C ATOM 1208 C ASN A 843 25.234 16.175 28.303 1.00 23.12 C ATOM 1209 O ASN A 843 24.894 17.166 28.988 1.00 23.92 O ATOM 1210 CB ASN A 843 27.457 16.028 27.179 1.00 19.42 C ATOM 1211 CG ASN A 843 28.927 15.865 27.318 1.00 19.26 C ATOM 1212 OD1 ASN A 843 29.479 15.705 28.401 1.00 20.19 O ATOM 1213 ND2 ASN A 843 29.597 15.987 26.196 1.00 18.96 N ATOM 0 H ASN A 843 26.914 13.696 27.833 1.00 23.28 H new ATOM 0 HA ASN A 843 27.142 15.872 29.190 1.00 21.54 H new ATOM 0 HB2 ASN A 843 27.157 15.527 26.404 1.00 19.42 H new ATOM 0 HB3 ASN A 843 27.259 16.962 27.008 1.00 19.42 H new ATOM 0 HD21 ASN A 843 30.456 15.956 26.203 1.00 18.96 H new ATOM 0 HD22 ASN A 843 29.177 16.098 25.454 1.00 18.96 H new ATOM 1214 N HIS A 844 24.387 15.569 27.494 1.00 22.39 N ATOM 1215 CA HIS A 844 23.002 15.983 27.340 1.00 24.45 C ATOM 1216 C HIS A 844 22.189 15.969 28.650 1.00 25.11 C ATOM 1217 O HIS A 844 21.536 16.966 28.977 1.00 27.80 O ATOM 1218 CB HIS A 844 22.338 15.149 26.277 1.00 22.07 C ATOM 1219 CG HIS A 844 20.885 15.475 26.037 1.00 24.50 C ATOM 1220 ND1 HIS A 844 20.473 16.224 24.958 1.00 24.59 N ATOM 1221 CD2 HIS A 844 19.747 15.068 26.670 1.00 21.94 C ATOM 1222 CE1 HIS A 844 19.143 16.265 24.937 1.00 24.60 C ATOM 1223 NE2 HIS A 844 18.688 15.603 25.982 1.00 21.25 N ATOM 0 H HIS A 844 24.602 14.892 27.008 1.00 22.39 H new ATOM 0 HA HIS A 844 23.019 16.913 27.066 1.00 24.45 H new ATOM 0 HB2 HIS A 844 22.824 15.261 25.445 1.00 22.07 H new ATOM 0 HB3 HIS A 844 22.411 14.214 26.524 1.00 22.07 H new ATOM 0 HD2 HIS A 844 19.698 14.529 27.426 1.00 21.94 H new ATOM 0 HE1 HIS A 844 18.622 16.689 24.294 1.00 24.60 H new ATOM 0 HE2 HIS A 844 17.860 15.520 26.198 1.00 21.25 H new ATOM 1224 N LYS A 845 22.281 14.892 29.380 1.00 27.45 N ATOM 1225 CA ALYS A 845 21.630 14.745 30.703 0.50 30.18 C ATOM 1226 CA BLYS A 845 21.596 14.765 30.658 0.50 29.21 C ATOM 1227 C LYS A 845 22.059 15.838 31.640 1.00 29.64 C ATOM 1228 O LYS A 845 21.249 16.503 32.215 1.00 30.10 O ATOM 1229 CB ALYS A 845 22.005 13.434 31.388 0.50 34.04 C ATOM 1230 CB BLYS A 845 21.840 13.388 31.240 0.50 31.11 C ATOM 1231 CG ALYS A 845 21.306 12.243 30.800 0.50 39.62 C ATOM 1232 CG BLYS A 845 21.244 13.155 32.615 0.50 34.34 C ATOM 1233 CD ALYS A 845 21.866 10.877 31.201 0.50 44.31 C ATOM 1234 CD BLYS A 845 22.337 12.982 33.619 0.50 36.32 C ATOM 1235 CE ALYS A 845 20.846 10.091 31.997 0.50 47.31 C ATOM 1236 CE BLYS A 845 22.404 11.533 34.014 0.50 37.52 C ATOM 1237 NZ ALYS A 845 21.181 8.630 32.040 0.50 51.38 N ATOM 1238 NZ BLYS A 845 21.135 11.287 34.737 0.50 40.70 N ATOM 0 H ALYS A 845 22.727 14.198 29.137 0.50 27.45 H new ATOM 0 H BLYS A 845 22.743 14.202 29.157 0.50 27.45 H new ATOM 0 HA ALYS A 845 20.677 14.777 30.526 0.50 29.21 H new ATOM 0 HA BLYS A 845 20.646 14.886 30.506 0.50 29.21 H new ATOM 0 HB2ALYS A 845 22.964 13.304 31.323 0.50 31.11 H new ATOM 0 HB2BLYS A 845 21.479 12.726 30.630 0.50 31.11 H new ATOM 0 HB3ALYS A 845 21.790 13.495 32.332 0.50 31.11 H new ATOM 0 HB3BLYS A 845 22.797 13.237 31.288 0.50 31.11 H new ATOM 0 HG2ALYS A 845 20.371 12.278 31.057 0.50 34.34 H new ATOM 0 HG2BLYS A 845 20.681 13.905 32.864 0.50 34.34 H new ATOM 0 HG3ALYS A 845 21.338 12.315 29.833 0.50 34.34 H new ATOM 0 HG3BLYS A 845 20.678 12.367 32.602 0.50 34.34 H new ATOM 0 HD2ALYS A 845 22.116 10.379 30.407 0.50 36.32 H new ATOM 0 HD2BLYS A 845 23.185 13.268 33.245 0.50 36.32 H new ATOM 0 HD3ALYS A 845 22.672 10.995 31.727 0.50 36.32 H new ATOM 0 HD3BLYS A 845 22.169 13.535 34.398 0.50 36.32 H new ATOM 0 HE2ALYS A 845 20.802 10.440 32.901 0.50 37.52 H new ATOM 0 HE2BLYS A 845 22.485 10.958 33.237 0.50 37.52 H new ATOM 0 HE3ALYS A 845 19.967 10.210 31.604 0.50 37.52 H new ATOM 0 HE3BLYS A 845 23.172 11.356 34.579 0.50 37.52 H new ATOM 0 HZ1ALYS A 845 20.564 8.198 32.514 0.50 40.70 H new ATOM 0 HZ1BLYS A 845 21.297 10.799 35.464 0.50 40.70 H new ATOM 0 HZ2ALYS A 845 21.200 8.305 31.212 0.50 40.70 H new ATOM 0 HZ2BLYS A 845 20.774 12.064 34.976 0.50 40.70 H new ATOM 0 HZ3ALYS A 845 21.978 8.519 32.420 0.50 40.70 H new ATOM 0 HZ3BLYS A 845 20.571 10.849 34.206 0.50 40.70 H new ATOM 1239 N GLU A 846 23.363 16.021 31.772 1.00 30.21 N ATOM 1240 CA GLU A 846 23.900 17.032 32.630 1.00 36.12 C ATOM 1241 C GLU A 846 23.495 18.461 32.249 1.00 34.81 C ATOM 1242 O GLU A 846 23.247 19.262 33.138 1.00 33.93 O ATOM 1243 CB GLU A 846 25.439 16.938 32.793 1.00 42.78 C ATOM 1244 CG GLU A 846 25.934 15.670 33.495 1.00 48.06 C ATOM 1245 CD GLU A 846 25.267 15.478 34.852 1.00 54.92 C ATOM 1246 OE1 GLU A 846 25.684 16.189 35.795 1.00 56.67 O ATOM 1247 OE2 GLU A 846 24.299 14.668 34.941 1.00 47.99 O ATOM 0 H GLU A 846 23.956 15.554 31.360 1.00 30.21 H new ATOM 0 HA GLU A 846 23.492 16.842 33.489 1.00 36.12 H new ATOM 0 HB2 GLU A 846 25.848 16.987 31.915 1.00 42.78 H new ATOM 0 HB3 GLU A 846 25.746 17.710 33.293 1.00 42.78 H new ATOM 0 HG2 GLU A 846 25.755 14.899 32.934 1.00 48.06 H new ATOM 0 HG3 GLU A 846 26.896 15.719 33.611 1.00 48.06 H new ATOM 1248 N PHE A 847 23.448 18.786 30.972 1.00 31.99 N ATOM 1249 CA PHE A 847 23.158 20.171 30.553 1.00 32.08 C ATOM 1250 C PHE A 847 21.668 20.520 30.683 1.00 31.98 C ATOM 1251 O PHE A 847 21.327 21.632 31.122 1.00 29.91 O ATOM 1252 CB PHE A 847 23.583 20.430 29.119 1.00 28.06 C ATOM 1253 CG PHE A 847 23.362 21.833 28.677 1.00 27.80 C ATOM 1254 CD1 PHE A 847 24.238 22.823 29.082 1.00 31.22 C ATOM 1255 CD2 PHE A 847 22.352 22.157 27.803 1.00 26.30 C ATOM 1256 CE1 PHE A 847 24.096 24.153 28.642 1.00 27.74 C ATOM 1257 CE2 PHE A 847 22.184 23.464 27.362 1.00 28.44 C ATOM 1258 CZ PHE A 847 23.060 24.471 27.763 1.00 28.68 C ATOM 0 H PHE A 847 23.578 18.234 30.326 1.00 31.99 H new ATOM 0 HA PHE A 847 23.672 20.734 31.153 1.00 32.08 H new ATOM 0 HB2 PHE A 847 24.524 20.213 29.024 1.00 28.06 H new ATOM 0 HB3 PHE A 847 23.094 19.833 28.532 1.00 28.06 H new ATOM 0 HD1 PHE A 847 24.936 22.606 29.657 1.00 31.22 H new ATOM 0 HD2 PHE A 847 21.774 21.493 27.503 1.00 26.30 H new ATOM 0 HE1 PHE A 847 24.685 24.811 28.933 1.00 27.74 H new ATOM 0 HE2 PHE A 847 21.478 23.669 26.792 1.00 28.44 H new ATOM 0 HZ PHE A 847 22.956 25.341 27.450 1.00 28.68 H new ATOM 1259 N TYR A 848 20.791 19.600 30.266 1.00 28.27 N ATOM 1260 CA TYR A 848 19.384 19.877 30.312 1.00 29.91 C ATOM 1261 C TYR A 848 18.716 19.585 31.652 1.00 39.41 C ATOM 1262 O TYR A 848 17.537 19.877 31.787 1.00 51.51 O ATOM 1263 CB TYR A 848 18.642 19.229 29.146 1.00 27.73 C ATOM 1264 CG TYR A 848 18.999 19.890 27.814 1.00 26.96 C ATOM 1265 CD1 TYR A 848 18.523 21.136 27.484 1.00 24.45 C ATOM 1266 CD2 TYR A 848 19.859 19.282 26.926 1.00 23.26 C ATOM 1267 CE1 TYR A 848 18.825 21.719 26.272 1.00 24.58 C ATOM 1268 CE2 TYR A 848 20.174 19.855 25.725 1.00 24.31 C ATOM 1269 CZ TYR A 848 19.664 21.082 25.419 1.00 25.76 C ATOM 1270 OH TYR A 848 20.002 21.625 24.217 1.00 34.64 O ATOM 0 H TYR A 848 21.002 18.824 29.960 1.00 28.27 H new ATOM 0 HA TYR A 848 19.317 20.840 30.214 1.00 29.91 H new ATOM 0 HB2 TYR A 848 18.860 18.285 29.108 1.00 27.73 H new ATOM 0 HB3 TYR A 848 17.686 19.294 29.294 1.00 27.73 H new ATOM 0 HD1 TYR A 848 17.987 21.595 28.090 1.00 24.45 H new ATOM 0 HD2 TYR A 848 20.235 18.461 27.149 1.00 23.26 H new ATOM 0 HE1 TYR A 848 18.457 22.541 26.042 1.00 24.58 H new ATOM 0 HE2 TYR A 848 20.729 19.413 25.124 1.00 24.31 H new ATOM 0 HH TYR A 848 19.986 22.463 24.274 1.00 34.64 H new ATOM 1271 N ARG A 849 19.436 19.065 32.646 1.00 40.95 N ATOM 1272 CA ARG A 849 18.969 19.140 34.056 1.00 52.77 C ATOM 1273 C ARG A 849 17.512 18.663 34.180 1.00 47.96 C ATOM 1274 O ARG A 849 17.221 17.543 33.855 1.00 46.09 O ATOM 1275 CB ARG A 849 19.042 20.585 34.603 1.00 64.74 C ATOM 1276 CG ARG A 849 20.376 21.269 34.588 1.00 76.96 C ATOM 1277 CD ARG A 849 21.323 20.650 35.574 1.00 78.44 C ATOM 1278 NE ARG A 849 22.452 21.564 35.759 1.00 85.01 N ATOM 1279 CZ ARG A 849 22.577 22.455 36.740 1.00 80.40 C ATOM 1280 NH1 ARG A 849 21.649 22.583 37.681 1.00 80.62 N ATOM 1281 NH2 ARG A 849 23.665 23.215 36.793 1.00 83.57 N ATOM 0 H ARG A 849 20.191 18.667 32.539 1.00 40.95 H new ATOM 0 HA ARG A 849 19.556 18.565 34.571 1.00 52.77 H new ATOM 0 HB2 ARG A 849 18.422 21.129 34.093 1.00 64.74 H new ATOM 0 HB3 ARG A 849 18.722 20.574 35.519 1.00 64.74 H new ATOM 0 HG2 ARG A 849 20.756 21.219 33.697 1.00 76.96 H new ATOM 0 HG3 ARG A 849 20.261 22.210 34.795 1.00 76.96 H new ATOM 0 HD2 ARG A 849 20.875 20.490 36.419 1.00 78.44 H new ATOM 0 HD3 ARG A 849 21.633 19.790 35.251 1.00 78.44 H new ATOM 0 HE ARG A 849 23.090 21.521 35.184 1.00 85.01 H new ATOM 0 HH11 ARG A 849 20.949 22.084 37.665 1.00 80.62 H new ATOM 0 HH12 ARG A 849 21.748 23.165 38.307 1.00 80.62 H new ATOM 0 HH21 ARG A 849 24.279 23.129 36.197 1.00 83.57 H new ATOM 0 HH22 ARG A 849 23.755 23.794 37.423 1.00 83.57 H new ATOM 1282 N GLU A 850 16.589 19.534 34.571 1.00 41.94 N ATOM 1283 CA GLU A 850 15.258 19.085 34.888 1.00 49.63 C ATOM 1284 C GLU A 850 14.311 19.374 33.740 1.00 39.94 C ATOM 1285 O GLU A 850 13.158 19.048 33.842 1.00 40.15 O ATOM 1286 CB GLU A 850 14.751 19.729 36.219 1.00 61.39 C ATOM 1287 CG GLU A 850 15.734 19.699 37.412 1.00 71.95 C ATOM 1288 CD GLU A 850 16.196 18.289 37.801 1.00 82.46 C ATOM 1289 OE1 GLU A 850 15.337 17.510 38.259 1.00 96.26 O ATOM 1290 OE2 GLU A 850 17.411 17.954 37.674 1.00 86.42 O ATOM 0 H GLU A 850 16.719 20.380 34.656 1.00 41.94 H new ATOM 0 HA GLU A 850 15.284 18.124 35.020 1.00 49.63 H new ATOM 0 HB2 GLU A 850 14.517 20.653 36.040 1.00 61.39 H new ATOM 0 HB3 GLU A 850 13.935 19.276 36.485 1.00 61.39 H new ATOM 0 HG2 GLU A 850 16.512 20.236 37.193 1.00 71.95 H new ATOM 0 HG3 GLU A 850 15.310 20.114 38.179 1.00 71.95 H new ATOM 1291 N ASP A 851 14.766 19.991 32.650 1.00 32.07 N ATOM 1292 CA ASP A 851 13.947 20.113 31.488 1.00 31.28 C ATOM 1293 C ASP A 851 13.649 18.712 31.004 1.00 29.35 C ATOM 1294 O ASP A 851 14.497 17.823 30.993 1.00 27.72 O ATOM 1295 CB ASP A 851 14.646 20.952 30.391 1.00 34.63 C ATOM 1296 CG ASP A 851 13.708 21.424 29.297 1.00 34.56 C ATOM 1297 OD1 ASP A 851 13.037 20.597 28.644 1.00 31.32 O ATOM 1298 OD2 ASP A 851 13.710 22.652 29.023 1.00 40.53 O ATOM 0 H ASP A 851 15.549 20.340 32.579 1.00 32.07 H new ATOM 0 HA ASP A 851 13.124 20.580 31.701 1.00 31.28 H new ATOM 0 HB2 ASP A 851 15.065 21.724 30.803 1.00 34.63 H new ATOM 0 HB3 ASP A 851 15.355 20.423 29.993 1.00 34.63 H new ATOM 1299 N LYS A 852 12.430 18.528 30.570 1.00 27.01 N ATOM 1300 CA LYS A 852 11.991 17.279 30.074 1.00 30.64 C ATOM 1301 C LYS A 852 12.739 16.890 28.777 1.00 26.43 C ATOM 1302 O LYS A 852 12.690 15.739 28.351 1.00 24.24 O ATOM 1303 CB LYS A 852 10.479 17.298 29.846 1.00 34.65 C ATOM 1304 CG LYS A 852 10.040 18.105 28.651 1.00 42.02 C ATOM 1305 CD LYS A 852 8.534 18.374 28.618 1.00 48.00 C ATOM 1306 CE LYS A 852 8.214 19.387 27.493 1.00 48.99 C ATOM 1307 NZ LYS A 852 6.786 19.758 27.267 1.00 44.67 N ATOM 0 H LYS A 852 11.829 19.143 30.559 1.00 27.01 H new ATOM 0 HA LYS A 852 12.195 16.604 30.741 1.00 30.64 H new ATOM 0 HB2 LYS A 852 10.168 16.386 29.739 1.00 34.65 H new ATOM 0 HB3 LYS A 852 10.048 17.653 30.639 1.00 34.65 H new ATOM 0 HG2 LYS A 852 10.513 18.952 28.650 1.00 42.02 H new ATOM 0 HG3 LYS A 852 10.296 17.636 27.841 1.00 42.02 H new ATOM 0 HD2 LYS A 852 8.051 17.546 28.468 1.00 48.00 H new ATOM 0 HD3 LYS A 852 8.239 18.723 29.474 1.00 48.00 H new ATOM 0 HE2 LYS A 852 8.707 20.202 27.678 1.00 48.99 H new ATOM 0 HE3 LYS A 852 8.562 19.028 26.662 1.00 48.99 H new ATOM 0 HZ1 LYS A 852 6.693 20.096 26.449 1.00 44.67 H new ATOM 0 HZ2 LYS A 852 6.275 19.034 27.348 1.00 44.67 H new ATOM 0 HZ3 LYS A 852 6.538 20.365 27.869 1.00 44.67 H new ATOM 1308 N PHE A 853 13.407 17.848 28.145 1.00 25.01 N ATOM 1309 CA PHE A 853 14.213 17.533 26.976 1.00 25.75 C ATOM 1310 C PHE A 853 15.346 16.491 27.320 1.00 23.00 C ATOM 1311 O PHE A 853 15.834 15.784 26.447 1.00 23.20 O ATOM 1312 CB PHE A 853 14.745 18.807 26.371 1.00 24.82 C ATOM 1313 CG PHE A 853 15.372 18.635 25.023 1.00 23.15 C ATOM 1314 CD1 PHE A 853 14.668 18.092 23.979 1.00 27.59 C ATOM 1315 CD2 PHE A 853 16.670 19.036 24.800 1.00 25.16 C ATOM 1316 CE1 PHE A 853 15.272 17.969 22.716 1.00 27.64 C ATOM 1317 CE2 PHE A 853 17.271 18.925 23.540 1.00 26.23 C ATOM 1318 CZ PHE A 853 16.581 18.409 22.519 1.00 25.19 C ATOM 0 H PHE A 853 13.407 18.677 28.374 1.00 25.01 H new ATOM 0 HA PHE A 853 13.657 17.102 26.309 1.00 25.75 H new ATOM 0 HB2 PHE A 853 14.019 19.446 26.299 1.00 24.82 H new ATOM 0 HB3 PHE A 853 15.401 19.190 26.974 1.00 24.82 H new ATOM 0 HD1 PHE A 853 13.792 17.806 24.107 1.00 27.59 H new ATOM 0 HD2 PHE A 853 17.161 19.390 25.506 1.00 25.16 H new ATOM 0 HE1 PHE A 853 14.798 17.593 22.010 1.00 27.64 H new ATOM 0 HE2 PHE A 853 18.147 19.210 23.414 1.00 26.23 H new ATOM 0 HZ PHE A 853 16.973 18.343 21.678 1.00 25.19 H new ATOM 1319 N THR A 854 15.722 16.388 28.581 1.00 22.97 N ATOM 1320 CA ATHR A 854 16.638 15.364 29.083 0.37 22.91 C ATOM 1321 CA BTHR A 854 16.671 15.356 28.982 0.63 23.82 C ATOM 1322 C THR A 854 16.253 13.956 28.587 1.00 24.05 C ATOM 1323 O THR A 854 17.098 13.108 28.376 1.00 26.73 O ATOM 1324 CB ATHR A 854 16.674 15.409 30.649 0.37 23.34 C ATOM 1325 CB BTHR A 854 16.862 15.248 30.496 0.63 26.20 C ATOM 1326 OG1ATHR A 854 17.858 14.792 31.177 0.37 21.09 O ATOM 1327 OG1BTHR A 854 15.603 14.926 31.098 0.63 30.56 O ATOM 1328 CG2ATHR A 854 15.436 14.717 31.261 0.37 23.80 C ATOM 1329 CG2BTHR A 854 17.470 16.474 31.084 0.63 24.38 C ATOM 0 H ATHR A 854 15.446 16.926 29.193 0.37 22.97 H new ATOM 0 H BTHR A 854 15.446 16.897 29.217 0.63 22.97 H new ATOM 0 HA ATHR A 854 17.523 15.556 28.736 0.37 23.82 H new ATOM 0 HA BTHR A 854 17.477 15.645 28.526 0.63 23.82 H new ATOM 0 HB ATHR A 854 16.674 16.348 30.893 0.37 26.20 H new ATOM 0 HB BTHR A 854 17.495 14.537 30.682 0.63 26.20 H new ATOM 0 HG1ATHR A 854 17.846 14.834 32.016 0.37 30.56 H new ATOM 0 HG1BTHR A 854 15.141 15.624 31.173 0.63 30.56 H new ATOM 0 HG21ATHR A 854 15.486 14.761 32.229 0.37 24.38 H new ATOM 0 HG21BTHR A 854 17.571 16.358 32.042 0.63 24.38 H new ATOM 0 HG22ATHR A 854 14.631 15.166 30.959 0.37 24.38 H new ATOM 0 HG22BTHR A 854 18.340 16.628 30.684 0.63 24.38 H new ATOM 0 HG23ATHR A 854 15.412 13.789 30.980 0.37 24.38 H new ATOM 0 HG23BTHR A 854 16.895 17.236 30.910 0.63 24.38 H new ATOM 1330 N ARG A 855 14.961 13.694 28.439 1.00 23.20 N ATOM 1331 CA ARG A 855 14.509 12.396 28.115 1.00 26.79 C ATOM 1332 C ARG A 855 14.980 11.906 26.732 1.00 24.49 C ATOM 1333 O ARG A 855 15.168 10.710 26.531 1.00 23.57 O ATOM 1334 CB ARG A 855 12.980 12.338 28.257 1.00 35.72 C ATOM 1335 CG ARG A 855 12.335 10.985 27.910 1.00 49.29 C ATOM 1336 CD ARG A 855 10.917 10.859 28.494 1.00 59.75 C ATOM 1337 NE ARG A 855 10.097 9.736 27.976 1.00 61.51 N ATOM 1338 CZ ARG A 855 9.193 9.804 26.982 1.00 68.89 C ATOM 1339 NH1 ARG A 855 8.973 10.929 26.284 1.00 70.05 N ATOM 1340 NH2 ARG A 855 8.514 8.704 26.640 1.00 73.88 N ATOM 0 H ARG A 855 14.337 14.279 28.528 1.00 23.20 H new ATOM 0 HA ARG A 855 14.913 11.779 28.745 1.00 26.79 H new ATOM 0 HB2 ARG A 855 12.747 12.565 29.171 1.00 35.72 H new ATOM 0 HB3 ARG A 855 12.591 13.020 27.687 1.00 35.72 H new ATOM 0 HG2 ARG A 855 12.298 10.883 26.946 1.00 49.29 H new ATOM 0 HG3 ARG A 855 12.890 10.266 28.250 1.00 49.29 H new ATOM 0 HD2 ARG A 855 10.990 10.765 29.457 1.00 59.75 H new ATOM 0 HD3 ARG A 855 10.442 11.688 28.325 1.00 59.75 H new ATOM 0 HE ARG A 855 10.210 8.968 28.347 1.00 61.51 H new ATOM 0 HH11 ARG A 855 9.418 11.642 26.466 1.00 70.05 H new ATOM 0 HH12 ARG A 855 8.387 10.937 25.655 1.00 70.05 H new ATOM 0 HH21 ARG A 855 8.657 7.964 27.054 1.00 73.88 H new ATOM 0 HH22 ARG A 855 7.934 8.737 26.006 1.00 73.88 H new ATOM 1341 N LEU A 856 15.178 12.819 25.800 1.00 22.07 N ATOM 1342 CA LEU A 856 15.748 12.445 24.540 1.00 22.92 C ATOM 1343 C LEU A 856 17.095 11.757 24.698 1.00 21.72 C ATOM 1344 O LEU A 856 17.356 10.846 23.961 1.00 21.90 O ATOM 1345 CB LEU A 856 15.886 13.635 23.566 1.00 24.26 C ATOM 1346 CG LEU A 856 14.689 14.053 22.694 1.00 26.96 C ATOM 1347 CD1 LEU A 856 14.205 13.029 21.718 1.00 34.60 C ATOM 1348 CD2 LEU A 856 13.514 14.381 23.557 1.00 30.37 C ATOM 0 H LEU A 856 14.988 13.654 25.883 1.00 22.07 H new ATOM 0 HA LEU A 856 15.119 11.814 24.156 1.00 22.92 H new ATOM 0 HB2 LEU A 856 16.146 14.409 24.090 1.00 24.26 H new ATOM 0 HB3 LEU A 856 16.624 13.436 22.968 1.00 24.26 H new ATOM 0 HG LEU A 856 15.030 14.809 22.190 1.00 26.96 H new ATOM 0 HD11 LEU A 856 13.453 13.386 21.220 1.00 34.60 H new ATOM 0 HD12 LEU A 856 14.921 12.803 21.104 1.00 34.60 H new ATOM 0 HD13 LEU A 856 13.926 12.232 22.196 1.00 34.60 H new ATOM 0 HD21 LEU A 856 12.765 14.643 22.999 1.00 30.37 H new ATOM 0 HD22 LEU A 856 13.269 13.602 24.081 1.00 30.37 H new ATOM 0 HD23 LEU A 856 13.744 15.111 24.153 1.00 30.37 H new ATOM 1349 N GLY A 857 17.936 12.205 25.630 1.00 24.56 N ATOM 1350 CA GLY A 857 19.223 11.568 25.908 1.00 22.10 C ATOM 1351 C GLY A 857 19.017 10.145 26.419 1.00 23.98 C ATOM 1352 O GLY A 857 19.677 9.171 25.984 1.00 22.22 O ATOM 0 H GLY A 857 17.774 12.892 26.122 1.00 24.56 H new ATOM 0 HA2 GLY A 857 19.763 11.553 25.102 1.00 22.10 H new ATOM 0 HA3 GLY A 857 19.711 12.086 26.567 1.00 22.10 H new ATOM 1353 N ILE A 858 18.092 10.001 27.352 1.00 24.63 N ATOM 1354 CA ILE A 858 17.748 8.663 27.865 1.00 26.86 C ATOM 1355 C ILE A 858 17.270 7.722 26.775 1.00 26.36 C ATOM 1356 O ILE A 858 17.719 6.587 26.694 1.00 23.66 O ATOM 1357 CB ILE A 858 16.716 8.731 29.001 1.00 29.67 C ATOM 1358 CG1 ILE A 858 17.367 9.422 30.206 1.00 33.15 C ATOM 1359 CG2 ILE A 858 16.234 7.323 29.373 1.00 30.65 C ATOM 1360 CD1 ILE A 858 16.353 9.903 31.227 1.00 36.02 C ATOM 0 H ILE A 858 17.650 10.649 27.705 1.00 24.63 H new ATOM 0 HA ILE A 858 18.573 8.299 28.223 1.00 26.86 H new ATOM 0 HB ILE A 858 15.940 9.238 28.715 1.00 29.67 H new ATOM 0 HG12 ILE A 858 17.982 8.806 30.633 1.00 33.15 H new ATOM 0 HG13 ILE A 858 17.891 10.177 29.896 1.00 33.15 H new ATOM 0 HG21 ILE A 858 15.584 7.382 30.090 1.00 30.65 H new ATOM 0 HG22 ILE A 858 15.824 6.906 28.599 1.00 30.65 H new ATOM 0 HG23 ILE A 858 16.989 6.789 29.665 1.00 30.65 H new ATOM 0 HD11 ILE A 858 16.815 10.331 31.965 1.00 36.02 H new ATOM 0 HD12 ILE A 858 15.751 10.540 30.811 1.00 36.02 H new ATOM 0 HD13 ILE A 858 15.844 9.147 31.559 1.00 36.02 H new ATOM 1361 N GLN A 859 16.375 8.190 25.932 1.00 23.77 N ATOM 1362 CA GLN A 859 15.832 7.342 24.916 1.00 26.02 C ATOM 1363 C GLN A 859 16.865 6.929 23.882 1.00 22.85 C ATOM 1364 O GLN A 859 16.921 5.784 23.476 1.00 21.85 O ATOM 1365 CB GLN A 859 14.724 8.073 24.179 1.00 30.18 C ATOM 1366 CG GLN A 859 13.539 8.324 25.065 1.00 31.92 C ATOM 1367 CD GLN A 859 12.503 9.225 24.443 1.00 36.06 C ATOM 1368 OE1 GLN A 859 12.807 10.229 23.735 1.00 32.70 O ATOM 1369 NE2 GLN A 859 11.274 8.894 24.705 1.00 39.26 N ATOM 0 H GLN A 859 16.073 8.995 25.936 1.00 23.77 H new ATOM 0 HA GLN A 859 15.505 6.548 25.367 1.00 26.02 H new ATOM 0 HB2 GLN A 859 15.062 8.918 23.843 1.00 30.18 H new ATOM 0 HB3 GLN A 859 14.448 7.551 23.409 1.00 30.18 H new ATOM 0 HG2 GLN A 859 13.126 7.475 25.289 1.00 31.92 H new ATOM 0 HG3 GLN A 859 13.844 8.720 25.897 1.00 31.92 H new ATOM 0 HE21 GLN A 859 11.109 8.204 25.191 1.00 39.26 H new ATOM 0 HE22 GLN A 859 10.626 9.365 24.393 1.00 39.26 H new ATOM 1370 N VAL A 860 17.698 7.858 23.434 1.00 21.10 N ATOM 1371 CA VAL A 860 18.657 7.468 22.420 1.00 20.31 C ATOM 1372 C VAL A 860 19.754 6.602 23.046 1.00 21.01 C ATOM 1373 O VAL A 860 20.197 5.689 22.409 1.00 19.08 O ATOM 1374 CB VAL A 860 19.228 8.626 21.623 1.00 20.20 C ATOM 1375 CG1 VAL A 860 20.144 8.086 20.540 1.00 20.65 C ATOM 1376 CG2 VAL A 860 18.101 9.403 20.975 1.00 22.16 C ATOM 0 H VAL A 860 17.725 8.679 23.689 1.00 21.10 H new ATOM 0 HA VAL A 860 18.172 6.943 21.764 1.00 20.31 H new ATOM 0 HB VAL A 860 19.726 9.210 22.217 1.00 20.20 H new ATOM 0 HG11 VAL A 860 20.511 8.824 20.028 1.00 20.65 H new ATOM 0 HG12 VAL A 860 20.867 7.585 20.948 1.00 20.65 H new ATOM 0 HG13 VAL A 860 19.640 7.504 19.950 1.00 20.65 H new ATOM 0 HG21 VAL A 860 18.468 10.143 20.466 1.00 22.16 H new ATOM 0 HG22 VAL A 860 17.604 8.818 20.382 1.00 22.16 H new ATOM 0 HG23 VAL A 860 17.508 9.746 21.661 1.00 22.16 H new ATOM 1377 N GLN A 861 20.124 6.852 24.295 1.00 22.20 N ATOM 1378 CA GLN A 861 21.111 6.020 24.963 1.00 23.06 C ATOM 1379 C GLN A 861 20.568 4.602 25.131 1.00 23.66 C ATOM 1380 O GLN A 861 21.352 3.661 25.059 1.00 20.83 O ATOM 1381 CB GLN A 861 21.530 6.579 26.347 1.00 23.51 C ATOM 1382 CG GLN A 861 22.452 5.582 27.073 1.00 28.93 C ATOM 1383 CD GLN A 861 23.424 6.163 28.066 1.00 35.35 C ATOM 1384 OE1 GLN A 861 23.114 7.104 28.774 1.00 41.78 O ATOM 1385 NE2 GLN A 861 24.602 5.525 28.185 1.00 36.90 N ATOM 0 H GLN A 861 19.816 7.498 24.772 1.00 22.20 H new ATOM 0 HA GLN A 861 21.902 6.015 24.401 1.00 23.06 H new ATOM 0 HB2 GLN A 861 21.986 7.428 26.235 1.00 23.51 H new ATOM 0 HB3 GLN A 861 20.741 6.750 26.885 1.00 23.51 H new ATOM 0 HG2 GLN A 861 21.896 4.936 27.536 1.00 28.93 H new ATOM 0 HG3 GLN A 861 22.957 5.094 26.404 1.00 28.93 H new ATOM 0 HE21 GLN A 861 24.787 4.864 27.667 1.00 36.90 H new ATOM 0 HE22 GLN A 861 25.170 5.778 28.779 1.00 36.90 H new ATOM 1386 N ASP A 862 19.284 4.441 25.391 1.00 22.45 N ATOM 1387 CA AASP A 862 18.696 3.097 25.469 0.49 23.86 C ATOM 1388 CA BASP A 862 18.702 3.096 25.479 0.51 24.71 C ATOM 1389 C ASP A 862 18.844 2.331 24.142 1.00 25.68 C ATOM 1390 O ASP A 862 19.065 1.122 24.145 1.00 23.96 O ATOM 1391 CB AASP A 862 17.238 3.160 25.846 0.49 23.89 C ATOM 1392 CB BASP A 862 17.244 3.156 25.901 0.51 25.96 C ATOM 1393 CG AASP A 862 17.027 3.477 27.299 0.49 26.38 C ATOM 1394 CG BASP A 862 16.694 1.797 26.351 0.51 30.13 C ATOM 1395 OD1AASP A 862 17.998 3.329 28.066 0.49 25.57 O ATOM 1396 OD1BASP A 862 17.404 1.105 27.095 0.51 34.18 O ATOM 1397 OD2AASP A 862 15.885 3.878 27.671 0.49 28.50 O ATOM 1398 OD2BASP A 862 15.549 1.425 25.988 0.51 31.56 O ATOM 0 H AASP A 862 18.731 5.086 25.526 0.49 22.45 H new ATOM 0 H BASP A 862 18.729 5.085 25.520 0.51 22.45 H new ATOM 0 HA AASP A 862 19.184 2.621 26.159 0.49 24.71 H new ATOM 0 HA BASP A 862 19.197 2.612 26.158 0.51 24.71 H new ATOM 0 HB2AASP A 862 16.797 3.833 25.305 0.49 25.96 H new ATOM 0 HB2BASP A 862 17.148 3.794 26.625 0.51 25.96 H new ATOM 0 HB3AASP A 862 16.818 2.310 25.640 0.49 25.96 H new ATOM 0 HB3BASP A 862 16.711 3.486 25.160 0.51 25.96 H new ATOM 1399 N ILE A 863 18.716 3.032 23.004 1.00 22.98 N ATOM 1400 CA ILE A 863 18.893 2.409 21.703 1.00 21.42 C ATOM 1401 C ILE A 863 20.322 1.980 21.571 1.00 20.71 C ATOM 1402 O ILE A 863 20.639 0.838 21.203 1.00 20.46 O ATOM 1403 CB ILE A 863 18.572 3.420 20.553 1.00 26.71 C ATOM 1404 CG1 ILE A 863 17.085 3.800 20.552 1.00 32.62 C ATOM 1405 CG2 ILE A 863 18.913 2.856 19.185 1.00 25.95 C ATOM 1406 CD1 ILE A 863 16.185 2.623 20.612 1.00 35.88 C ATOM 0 H ILE A 863 18.527 3.870 22.974 1.00 22.98 H new ATOM 0 HA ILE A 863 18.291 1.652 21.634 1.00 21.42 H new ATOM 0 HB ILE A 863 19.120 4.202 20.722 1.00 26.71 H new ATOM 0 HG12 ILE A 863 16.904 4.378 21.310 1.00 32.62 H new ATOM 0 HG13 ILE A 863 16.888 4.311 19.752 1.00 32.62 H new ATOM 0 HG21 ILE A 863 18.700 3.511 18.502 1.00 25.95 H new ATOM 0 HG22 ILE A 863 19.859 2.647 19.148 1.00 25.95 H new ATOM 0 HG23 ILE A 863 18.398 2.049 19.030 1.00 25.95 H new ATOM 0 HD11 ILE A 863 15.262 2.921 20.609 1.00 35.88 H new ATOM 0 HD12 ILE A 863 16.344 2.055 19.842 1.00 35.88 H new ATOM 0 HD13 ILE A 863 16.360 2.123 21.424 1.00 35.88 H new ATOM 1407 N PHE A 864 21.235 2.896 21.834 1.00 18.96 N ATOM 1408 CA PHE A 864 22.654 2.491 21.880 1.00 20.16 C ATOM 1409 C PHE A 864 22.949 1.236 22.721 1.00 19.68 C ATOM 1410 O PHE A 864 23.608 0.327 22.248 1.00 18.98 O ATOM 1411 CB PHE A 864 23.530 3.646 22.391 1.00 19.62 C ATOM 1412 CG PHE A 864 24.951 3.299 22.530 1.00 17.63 C ATOM 1413 CD1 PHE A 864 25.722 3.116 21.431 1.00 18.90 C ATOM 1414 CD2 PHE A 864 25.499 3.128 23.798 1.00 19.39 C ATOM 1415 CE1 PHE A 864 27.059 2.761 21.568 1.00 19.81 C ATOM 1416 CE2 PHE A 864 26.840 2.770 23.936 1.00 19.24 C ATOM 1417 CZ PHE A 864 27.602 2.556 22.807 1.00 18.15 C ATOM 0 H PHE A 864 21.078 3.728 21.985 1.00 18.96 H new ATOM 0 HA PHE A 864 22.870 2.263 20.962 1.00 20.16 H new ATOM 0 HB2 PHE A 864 23.448 4.397 21.782 1.00 19.62 H new ATOM 0 HB3 PHE A 864 23.192 3.940 23.251 1.00 19.62 H new ATOM 0 HD1 PHE A 864 25.356 3.228 20.583 1.00 18.90 H new ATOM 0 HD2 PHE A 864 24.971 3.252 24.553 1.00 19.39 H new ATOM 0 HE1 PHE A 864 27.589 2.662 20.810 1.00 19.81 H new ATOM 0 HE2 PHE A 864 27.216 2.677 24.781 1.00 19.24 H new ATOM 0 HZ PHE A 864 28.484 2.273 22.888 1.00 18.15 H new ATOM 1418 N GLU A 865 22.557 1.261 23.973 1.00 19.53 N ATOM 1419 CA GLU A 865 22.886 0.224 24.905 1.00 21.57 C ATOM 1420 C GLU A 865 22.310 -1.171 24.507 1.00 22.26 C ATOM 1421 O GLU A 865 23.008 -2.198 24.555 1.00 18.77 O ATOM 1422 CB GLU A 865 22.452 0.589 26.315 1.00 21.56 C ATOM 1423 CG GLU A 865 23.242 1.731 26.951 1.00 23.87 C ATOM 1424 CD GLU A 865 24.739 1.564 27.057 1.00 26.63 C ATOM 1425 OE1 GLU A 865 25.234 0.435 27.066 1.00 28.42 O ATOM 1426 OE2 GLU A 865 25.452 2.587 27.250 1.00 28.65 O ATOM 0 H GLU A 865 22.083 1.895 24.309 1.00 19.53 H new ATOM 0 HA GLU A 865 23.853 0.147 24.881 1.00 21.57 H new ATOM 0 HB2 GLU A 865 21.513 0.832 26.299 1.00 21.56 H new ATOM 0 HB3 GLU A 865 22.532 -0.196 26.878 1.00 21.56 H new ATOM 0 HG2 GLU A 865 23.065 2.538 26.442 1.00 23.87 H new ATOM 0 HG3 GLU A 865 22.892 1.877 27.844 1.00 23.87 H new ATOM 1427 N LYS A 866 21.073 -1.207 24.085 1.00 21.09 N ATOM 1428 CA LYS A 866 20.484 -2.437 23.587 1.00 21.82 C ATOM 1429 C LYS A 866 21.203 -2.994 22.404 1.00 21.26 C ATOM 1430 O LYS A 866 21.430 -4.200 22.309 1.00 19.16 O ATOM 1431 CB LYS A 866 19.037 -2.217 23.117 1.00 26.40 C ATOM 1432 CG LYS A 866 18.014 -2.156 24.228 1.00 32.84 C ATOM 1433 CD LYS A 866 16.587 -2.019 23.659 1.00 39.61 C ATOM 1434 CE LYS A 866 15.601 -1.478 24.687 1.00 47.34 C ATOM 1435 NZ LYS A 866 14.918 -2.536 25.463 1.00 51.58 N ATOM 0 H LYS A 866 20.546 -0.528 24.075 1.00 21.09 H new ATOM 0 HA LYS A 866 20.537 -3.050 24.337 1.00 21.82 H new ATOM 0 HB2 LYS A 866 18.996 -1.390 22.611 1.00 26.40 H new ATOM 0 HB3 LYS A 866 18.795 -2.934 22.510 1.00 26.40 H new ATOM 0 HG2 LYS A 866 18.074 -2.957 24.771 1.00 32.84 H new ATOM 0 HG3 LYS A 866 18.208 -1.404 24.809 1.00 32.84 H new ATOM 0 HD2 LYS A 866 16.604 -1.429 22.889 1.00 39.61 H new ATOM 0 HD3 LYS A 866 16.282 -2.885 23.346 1.00 39.61 H new ATOM 0 HE2 LYS A 866 16.072 -0.891 25.299 1.00 47.34 H new ATOM 0 HE3 LYS A 866 14.935 -0.939 24.233 1.00 47.34 H new ATOM 0 HZ1 LYS A 866 14.357 -2.163 26.045 1.00 51.58 H new ATOM 0 HZ2 LYS A 866 14.463 -3.064 24.909 1.00 51.58 H new ATOM 0 HZ3 LYS A 866 15.522 -3.019 25.903 1.00 51.58 H new ATOM 1436 N ASN A 867 21.520 -2.138 21.446 1.00 21.14 N ATOM 1437 CA ASN A 867 22.236 -2.613 20.264 1.00 21.98 C ATOM 1438 C ASN A 867 23.695 -3.036 20.599 1.00 21.11 C ATOM 1439 O ASN A 867 24.249 -3.954 19.961 1.00 21.10 O ATOM 1440 CB ASN A 867 22.216 -1.566 19.143 1.00 21.23 C ATOM 1441 CG ASN A 867 20.910 -1.615 18.370 1.00 22.23 C ATOM 1442 OD1 ASN A 867 20.704 -2.490 17.521 1.00 24.92 O ATOM 1443 ND2 ASN A 867 19.993 -0.740 18.724 1.00 22.86 N ATOM 0 H ASN A 867 21.337 -1.298 21.454 1.00 21.14 H new ATOM 0 HA ASN A 867 21.769 -3.403 19.949 1.00 21.98 H new ATOM 0 HB2 ASN A 867 22.338 -0.681 19.521 1.00 21.23 H new ATOM 0 HB3 ASN A 867 22.959 -1.721 18.539 1.00 21.23 H new ATOM 0 HD21 ASN A 867 19.214 -0.763 18.361 1.00 22.86 H new ATOM 0 HD22 ASN A 867 20.173 -0.145 19.319 1.00 22.86 H new ATOM 1444 N PHE A 868 24.287 -2.356 21.594 1.00 19.31 N ATOM 1445 CA PHE A 868 25.625 -2.689 22.047 1.00 18.76 C ATOM 1446 C PHE A 868 25.622 -4.110 22.604 1.00 19.47 C ATOM 1447 O PHE A 868 26.391 -4.958 22.153 1.00 18.58 O ATOM 1448 CB PHE A 868 26.126 -1.715 23.062 1.00 19.65 C ATOM 1449 CG PHE A 868 27.414 -2.151 23.709 1.00 22.16 C ATOM 1450 CD1 PHE A 868 28.590 -2.110 23.008 1.00 21.90 C ATOM 1451 CD2 PHE A 868 27.412 -2.683 24.989 1.00 25.40 C ATOM 1452 CE1 PHE A 868 29.810 -2.510 23.607 1.00 25.47 C ATOM 1453 CE2 PHE A 868 28.596 -3.102 25.588 1.00 28.01 C ATOM 1454 CZ PHE A 868 29.800 -3.017 24.886 1.00 27.09 C ATOM 0 H PHE A 868 23.921 -1.700 22.013 1.00 19.31 H new ATOM 0 HA PHE A 868 26.232 -2.638 21.292 1.00 18.76 H new ATOM 0 HB2 PHE A 868 26.258 -0.853 22.638 1.00 19.65 H new ATOM 0 HB3 PHE A 868 25.450 -1.593 23.747 1.00 19.65 H new ATOM 0 HD1 PHE A 868 28.588 -1.815 22.126 1.00 21.90 H new ATOM 0 HD2 PHE A 868 26.610 -2.761 25.453 1.00 25.40 H new ATOM 0 HE1 PHE A 868 30.610 -2.431 23.140 1.00 25.47 H new ATOM 0 HE2 PHE A 868 28.585 -3.438 26.455 1.00 28.01 H new ATOM 0 HZ PHE A 868 30.592 -3.302 25.281 1.00 27.09 H new ATOM 1455 N ARG A 869 24.711 -4.374 23.543 1.00 21.34 N ATOM 1456 CA ARG A 869 24.522 -5.708 24.078 1.00 24.49 C ATOM 1457 C ARG A 869 24.269 -6.792 22.997 1.00 29.12 C ATOM 1458 O ARG A 869 24.854 -7.850 23.081 1.00 22.69 O ATOM 1459 CB ARG A 869 23.409 -5.736 25.095 1.00 23.57 C ATOM 1460 CG ARG A 869 23.849 -5.034 26.329 1.00 24.41 C ATOM 1461 CD ARG A 869 22.914 -5.238 27.516 1.00 24.70 C ATOM 1462 NE ARG A 869 21.541 -4.848 27.252 1.00 25.88 N ATOM 1463 CZ ARG A 869 21.017 -3.637 27.502 1.00 28.89 C ATOM 1464 NH1 ARG A 869 21.738 -2.627 27.973 1.00 30.38 N ATOM 1465 NH2 ARG A 869 19.759 -3.420 27.230 1.00 29.17 N ATOM 0 H ARG A 869 24.189 -3.781 23.883 1.00 21.34 H new ATOM 0 HA ARG A 869 25.364 -5.930 24.505 1.00 24.49 H new ATOM 0 HB2 ARG A 869 22.616 -5.309 24.733 1.00 23.57 H new ATOM 0 HB3 ARG A 869 23.169 -6.653 25.301 1.00 23.57 H new ATOM 0 HG2 ARG A 869 24.736 -5.344 26.569 1.00 24.41 H new ATOM 0 HG3 ARG A 869 23.921 -4.085 26.143 1.00 24.41 H new ATOM 0 HD2 ARG A 869 22.932 -6.173 27.775 1.00 24.70 H new ATOM 0 HD3 ARG A 869 23.247 -4.728 28.271 1.00 24.70 H new ATOM 0 HE ARG A 869 21.021 -5.440 26.908 1.00 25.88 H new ATOM 0 HH11 ARG A 869 22.577 -2.734 28.130 1.00 30.38 H new ATOM 0 HH12 ARG A 869 21.366 -1.866 28.121 1.00 30.38 H new ATOM 0 HH21 ARG A 869 19.277 -4.048 26.895 1.00 29.17 H new ATOM 0 HH22 ARG A 869 19.412 -2.649 27.386 1.00 29.17 H new ATOM 1466 N ASN A 870 23.440 -6.486 21.983 1.00 26.63 N ATOM 1467 CA ASN A 870 23.181 -7.414 20.903 1.00 26.05 C ATOM 1468 C ASN A 870 24.416 -7.648 20.024 1.00 26.33 C ATOM 1469 O ASN A 870 24.746 -8.777 19.708 1.00 27.17 O ATOM 1470 CB ASN A 870 21.987 -6.953 20.056 1.00 26.73 C ATOM 1471 CG ASN A 870 21.702 -7.882 18.875 1.00 34.57 C ATOM 1472 OD1 ASN A 870 22.015 -7.595 17.726 1.00 40.58 O ATOM 1473 ND2 ASN A 870 21.143 -8.996 19.160 1.00 36.31 N ATOM 0 H ASN A 870 23.022 -5.737 21.915 1.00 26.63 H new ATOM 0 HA ASN A 870 22.959 -8.265 21.312 1.00 26.05 H new ATOM 0 HB2 ASN A 870 21.198 -6.901 20.618 1.00 26.73 H new ATOM 0 HB3 ASN A 870 22.158 -6.058 19.724 1.00 26.73 H new ATOM 0 HD21 ASN A 870 20.978 -9.566 18.537 1.00 36.31 H new ATOM 0 HD22 ASN A 870 20.932 -9.175 19.974 1.00 36.31 H new ATOM 1474 N ILE A 871 25.079 -6.590 19.585 1.00 25.55 N ATOM 1475 CA ILE A 871 26.102 -6.729 18.555 1.00 24.48 C ATOM 1476 C ILE A 871 27.345 -7.416 19.119 1.00 24.64 C ATOM 1477 O ILE A 871 28.017 -8.207 18.442 1.00 23.19 O ATOM 1478 CB ILE A 871 26.416 -5.362 17.946 1.00 25.29 C ATOM 1479 CG1 ILE A 871 25.217 -4.950 17.071 1.00 29.68 C ATOM 1480 CG2 ILE A 871 27.652 -5.351 17.090 1.00 24.08 C ATOM 1481 CD1 ILE A 871 25.189 -3.477 16.713 1.00 29.46 C ATOM 0 H ILE A 871 24.955 -5.787 19.866 1.00 25.55 H new ATOM 0 HA ILE A 871 25.768 -7.297 17.843 1.00 24.48 H new ATOM 0 HB ILE A 871 26.576 -4.748 18.679 1.00 25.29 H new ATOM 0 HG12 ILE A 871 25.231 -5.471 16.253 1.00 29.68 H new ATOM 0 HG13 ILE A 871 24.397 -5.175 17.537 1.00 29.68 H new ATOM 0 HG21 ILE A 871 27.793 -4.459 16.737 1.00 24.08 H new ATOM 0 HG22 ILE A 871 28.418 -5.612 17.625 1.00 24.08 H new ATOM 0 HG23 ILE A 871 27.543 -5.976 16.356 1.00 24.08 H new ATOM 0 HD11 ILE A 871 24.411 -3.292 16.164 1.00 29.46 H new ATOM 0 HD12 ILE A 871 25.145 -2.947 17.524 1.00 29.46 H new ATOM 0 HD13 ILE A 871 25.993 -3.248 16.221 1.00 29.46 H new ATOM 1482 N PHE A 872 27.646 -7.127 20.366 1.00 22.33 N ATOM 1483 CA PHE A 872 28.835 -7.663 20.975 1.00 24.46 C ATOM 1484 C PHE A 872 28.477 -8.838 21.875 1.00 25.32 C ATOM 1485 O PHE A 872 29.322 -9.310 22.589 1.00 24.37 O ATOM 1486 CB PHE A 872 29.549 -6.576 21.729 1.00 23.51 C ATOM 1487 CG PHE A 872 30.230 -5.624 20.827 1.00 21.45 C ATOM 1488 CD1 PHE A 872 31.492 -5.909 20.365 1.00 23.41 C ATOM 1489 CD2 PHE A 872 29.642 -4.469 20.474 1.00 19.77 C ATOM 1490 CE1 PHE A 872 32.157 -5.019 19.502 1.00 23.49 C ATOM 1491 CE2 PHE A 872 30.281 -3.562 19.610 1.00 24.88 C ATOM 1492 CZ PHE A 872 31.539 -3.828 19.134 1.00 24.13 C ATOM 0 H PHE A 872 27.173 -6.621 20.877 1.00 22.33 H new ATOM 0 HA PHE A 872 29.435 -7.995 20.289 1.00 24.46 H new ATOM 0 HB2 PHE A 872 28.912 -6.096 22.281 1.00 23.51 H new ATOM 0 HB3 PHE A 872 30.200 -6.974 22.327 1.00 23.51 H new ATOM 0 HD1 PHE A 872 31.911 -6.698 20.625 1.00 23.41 H new ATOM 0 HD2 PHE A 872 28.798 -4.266 20.807 1.00 19.77 H new ATOM 0 HE1 PHE A 872 33.004 -5.225 19.179 1.00 23.49 H new ATOM 0 HE2 PHE A 872 29.848 -2.778 19.360 1.00 24.88 H new ATOM 0 HZ PHE A 872 31.971 -3.223 18.575 1.00 24.13 H new ATOM 1493 N ALA A 873 27.216 -9.292 21.821 1.00 26.87 N ATOM 1494 CA ALA A 873 26.806 -10.521 22.487 1.00 25.51 C ATOM 1495 C ALA A 873 27.215 -10.494 23.999 1.00 26.71 C ATOM 1496 O ALA A 873 27.912 -11.406 24.501 1.00 25.12 O ATOM 1497 CB ALA A 873 27.440 -11.713 21.768 1.00 26.58 C ATOM 0 H ALA A 873 26.583 -8.893 21.397 1.00 26.87 H new ATOM 0 HA ALA A 873 25.840 -10.603 22.449 1.00 25.51 H new ATOM 0 HB1 ALA A 873 27.171 -12.536 22.206 1.00 26.58 H new ATOM 0 HB2 ALA A 873 27.145 -11.728 20.844 1.00 26.58 H new ATOM 0 HB3 ALA A 873 28.406 -11.632 21.797 1.00 26.58 H new ATOM 1498 N ILE A 874 26.773 -9.476 24.702 1.00 22.89 N ATOM 1499 CA ILE A 874 27.118 -9.284 26.104 1.00 25.61 C ATOM 1500 C ILE A 874 26.252 -10.252 26.852 1.00 29.98 C ATOM 1501 O ILE A 874 25.116 -10.394 26.486 1.00 29.14 O ATOM 1502 CB ILE A 874 26.754 -7.882 26.593 1.00 25.67 C ATOM 1503 CG1 ILE A 874 27.579 -6.858 25.866 1.00 25.64 C ATOM 1504 CG2 ILE A 874 26.870 -7.759 28.123 1.00 28.14 C ATOM 1505 CD1 ILE A 874 29.060 -6.964 26.063 1.00 28.83 C ATOM 0 H ILE A 874 26.258 -8.866 24.382 1.00 22.89 H new ATOM 0 HA ILE A 874 28.071 -9.410 26.234 1.00 25.61 H new ATOM 0 HB ILE A 874 25.821 -7.714 26.387 1.00 25.67 H new ATOM 0 HG12 ILE A 874 27.389 -6.927 24.917 1.00 25.64 H new ATOM 0 HG13 ILE A 874 27.293 -5.975 26.149 1.00 25.64 H new ATOM 0 HG21 ILE A 874 26.632 -6.859 28.394 1.00 28.14 H new ATOM 0 HG22 ILE A 874 26.269 -8.393 28.545 1.00 28.14 H new ATOM 0 HG23 ILE A 874 27.782 -7.948 28.395 1.00 28.14 H new ATOM 0 HD11 ILE A 874 29.505 -6.265 25.558 1.00 28.83 H new ATOM 0 HD12 ILE A 874 29.269 -6.864 27.005 1.00 28.83 H new ATOM 0 HD13 ILE A 874 29.367 -7.831 25.754 1.00 28.83 H new ATOM 1506 N GLN A 875 26.796 -10.929 27.863 1.00 28.95 N ATOM 1507 CA GLN A 875 26.045 -11.965 28.635 1.00 31.90 C ATOM 1508 C GLN A 875 24.810 -11.330 29.205 1.00 30.21 C ATOM 1509 O GLN A 875 24.907 -10.319 29.828 1.00 31.22 O ATOM 1510 CB GLN A 875 26.914 -12.531 29.793 1.00 33.55 C ATOM 1511 CG GLN A 875 26.278 -13.563 30.772 1.00 33.82 C ATOM 1512 CD GLN A 875 25.643 -14.767 30.097 1.00 34.14 C ATOM 1513 OE1 GLN A 875 26.272 -15.434 29.310 1.00 35.56 O ATOM 1514 NE2 GLN A 875 24.373 -15.004 30.351 1.00 35.07 N ATOM 0 H GLN A 875 27.605 -10.812 28.131 1.00 28.95 H new ATOM 0 HA GLN A 875 25.812 -12.697 28.043 1.00 31.90 H new ATOM 0 HB2 GLN A 875 27.697 -12.945 29.398 1.00 33.55 H new ATOM 0 HB3 GLN A 875 27.226 -11.779 30.321 1.00 33.55 H new ATOM 0 HG2 GLN A 875 26.963 -13.874 31.385 1.00 33.82 H new ATOM 0 HG3 GLN A 875 25.604 -13.113 31.305 1.00 33.82 H new ATOM 0 HE21 GLN A 875 23.949 -14.514 30.916 1.00 35.07 H new ATOM 0 HE22 GLN A 875 23.968 -15.649 29.952 1.00 35.07 H new ATOM 1515 N GLU A 876 23.665 -11.938 28.996 1.00 31.78 N ATOM 1516 CA GLU A 876 22.433 -11.470 29.589 1.00 35.29 C ATOM 1517 C GLU A 876 22.450 -11.636 31.089 1.00 40.40 C ATOM 1518 O GLU A 876 22.910 -12.696 31.622 1.00 34.10 O ATOM 1519 CB GLU A 876 21.254 -12.245 28.988 1.00 40.98 C ATOM 1520 CG GLU A 876 20.972 -11.862 27.523 1.00 48.12 C ATOM 1521 CD GLU A 876 19.961 -10.707 27.376 1.00 48.88 C ATOM 1522 OE1 GLU A 876 18.761 -10.879 27.666 1.00 52.41 O ATOM 1523 OE2 GLU A 876 20.363 -9.613 26.964 1.00 55.26 O ATOM 0 H GLU A 876 23.577 -12.638 28.504 1.00 31.78 H new ATOM 0 HA GLU A 876 22.337 -10.524 29.396 1.00 35.29 H new ATOM 0 HB2 GLU A 876 21.438 -13.196 29.040 1.00 40.98 H new ATOM 0 HB3 GLU A 876 20.460 -12.080 29.520 1.00 40.98 H new ATOM 0 HG2 GLU A 876 21.805 -11.610 27.095 1.00 48.12 H new ATOM 0 HG3 GLU A 876 20.635 -12.640 27.051 1.00 48.12 H new ATOM 1524 N THR A 877 21.985 -10.595 31.787 1.00 44.12 N ATOM 1525 CA THR A 877 21.806 -10.656 33.267 1.00 50.97 C ATOM 1526 C THR A 877 20.454 -10.114 33.709 1.00 60.73 C ATOM 1527 O THR A 877 19.798 -9.381 32.973 1.00 69.19 O ATOM 1528 CB THR A 877 22.878 -9.841 34.024 1.00 51.09 C ATOM 1529 OG1 THR A 877 22.762 -8.467 33.667 1.00 53.80 O ATOM 1530 CG2 THR A 877 24.295 -10.313 33.702 1.00 54.74 C ATOM 0 H THR A 877 21.765 -9.842 31.435 1.00 44.12 H new ATOM 0 HA THR A 877 21.882 -11.599 33.483 1.00 50.97 H new ATOM 0 HB THR A 877 22.726 -9.969 34.973 1.00 51.09 H new ATOM 0 HG1 THR A 877 23.343 -8.020 34.078 1.00 53.80 H new ATOM 0 HG21 THR A 877 24.935 -9.777 34.196 1.00 54.74 H new ATOM 0 HG22 THR A 877 24.391 -11.245 33.954 1.00 54.74 H new ATOM 0 HG23 THR A 877 24.460 -10.217 32.751 1.00 54.74 H new ATOM 1531 N SER A 878 20.057 -10.465 34.932 1.00 83.45 N ATOM 1532 CA SER A 878 18.978 -9.754 35.661 1.00 82.21 C ATOM 1533 C SER A 878 19.552 -8.460 36.196 1.00 78.31 C ATOM 1534 O SER A 878 18.829 -7.489 36.342 1.00 92.66 O ATOM 1535 CB SER A 878 18.432 -10.597 36.827 1.00 82.94 C ATOM 1536 OG SER A 878 19.471 -11.370 37.433 1.00 75.99 O ATOM 0 H SER A 878 20.400 -11.121 35.370 1.00 83.45 H new ATOM 0 HA SER A 878 18.241 -9.585 35.053 1.00 82.21 H new ATOM 0 HB2 SER A 878 18.029 -10.015 37.490 1.00 82.94 H new ATOM 0 HB3 SER A 878 17.732 -11.186 36.504 1.00 82.94 H new ATOM 0 HG SER A 878 19.152 -11.820 38.066 1.00 75.99 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.747 40.914 40.491 1.00 75.99 N ATOM 1539 CA GLU B 700 -5.676 40.881 39.441 1.00 73.08 C ATOM 1540 C GLU B 700 -5.622 39.649 38.481 1.00 68.83 C ATOM 1541 O GLU B 700 -4.858 39.706 37.526 1.00 79.53 O ATOM 1542 CB GLU B 700 -4.297 41.108 40.089 1.00 62.96 C ATOM 0 HA GLU B 700 -5.929 41.606 38.848 1.00 73.08 H new ATOM 1543 N ASN B 701 -6.370 38.562 38.724 1.00 57.32 N ATOM 1544 CA ASN B 701 -6.466 37.418 37.771 1.00 57.94 C ATOM 1545 C ASN B 701 -7.907 37.081 37.308 1.00 61.55 C ATOM 1546 O ASN B 701 -8.848 37.228 38.075 1.00 65.01 O ATOM 1547 CB ASN B 701 -5.844 36.164 38.375 1.00 55.84 C ATOM 1548 CG ASN B 701 -4.327 36.173 38.299 1.00 60.77 C ATOM 1549 OD1 ASN B 701 -3.709 35.793 37.265 1.00 51.65 O ATOM 1550 ND2 ASN B 701 -3.706 36.590 39.397 1.00 61.22 N ATOM 0 H ASN B 701 -6.837 38.459 39.439 1.00 57.32 H new ATOM 0 HA ASN B 701 -5.978 37.710 36.985 1.00 57.94 H new ATOM 0 HB2 ASN B 701 -6.118 36.085 39.302 1.00 55.84 H new ATOM 0 HB3 ASN B 701 -6.184 35.383 37.911 1.00 55.84 H new ATOM 0 HD21 ASN B 701 -2.847 36.609 39.424 1.00 61.22 H new ATOM 0 HD22 ASN B 701 -4.163 36.841 40.081 1.00 61.22 H new ATOM 1551 N SER B 702 -8.068 36.608 36.069 1.00 50.69 N ATOM 1552 CA SER B 702 -9.366 36.180 35.563 1.00 42.67 C ATOM 1553 C SER B 702 -9.981 35.109 36.450 1.00 43.36 C ATOM 1554 O SER B 702 -9.273 34.287 37.036 1.00 36.83 O ATOM 1555 CB SER B 702 -9.245 35.613 34.137 1.00 43.30 C ATOM 1556 OG SER B 702 -10.534 35.368 33.562 1.00 38.94 O ATOM 0 H SER B 702 -7.426 36.528 35.502 1.00 50.69 H new ATOM 0 HA SER B 702 -9.935 36.965 35.559 1.00 42.67 H new ATOM 0 HB2 SER B 702 -8.753 36.236 33.580 1.00 43.30 H new ATOM 0 HB3 SER B 702 -8.736 34.788 34.157 1.00 43.30 H new ATOM 0 HG SER B 702 -10.447 35.179 32.748 1.00 38.94 H new ATOM 1557 N ASN B 703 -11.317 35.105 36.523 1.00 40.66 N ATOM 1558 CA ASN B 703 -12.062 34.014 37.201 1.00 41.30 C ATOM 1559 C ASN B 703 -12.570 32.971 36.229 1.00 38.23 C ATOM 1560 O ASN B 703 -13.393 32.154 36.565 1.00 36.07 O ATOM 1561 CB ASN B 703 -13.219 34.579 38.039 1.00 52.95 C ATOM 1562 CG ASN B 703 -14.205 35.386 37.205 1.00 65.03 C ATOM 1563 OD1 ASN B 703 -13.829 36.141 36.271 1.00 59.21 O ATOM 1564 ND2 ASN B 703 -15.477 35.271 37.561 1.00 80.83 N ATOM 0 H ASN B 703 -11.817 35.720 36.189 1.00 40.66 H new ATOM 0 HA ASN B 703 -11.434 33.572 37.793 1.00 41.30 H new ATOM 0 HB2 ASN B 703 -13.688 33.848 38.471 1.00 52.95 H new ATOM 0 HB3 ASN B 703 -12.860 35.141 38.743 1.00 52.95 H new ATOM 0 HD21 ASN B 703 -16.082 35.723 37.148 1.00 80.83 H new ATOM 0 HD22 ASN B 703 -15.698 34.745 38.205 1.00 80.83 H new ATOM 1565 N ILE B 704 -12.078 32.990 34.990 1.00 42.56 N ATOM 1566 CA ILE B 704 -12.400 31.906 34.050 1.00 39.67 C ATOM 1567 C ILE B 704 -11.122 31.482 33.312 1.00 31.59 C ATOM 1568 O ILE B 704 -10.245 32.305 33.032 1.00 32.50 O ATOM 1569 CB ILE B 704 -13.469 32.290 32.997 1.00 37.97 C ATOM 1570 CG1 ILE B 704 -13.111 33.599 32.338 1.00 37.31 C ATOM 1571 CG2 ILE B 704 -14.880 32.354 33.582 1.00 41.92 C ATOM 1572 CD1 ILE B 704 -14.083 33.946 31.247 1.00 41.89 C ATOM 0 H ILE B 704 -11.566 33.606 34.676 1.00 42.56 H new ATOM 0 HA ILE B 704 -12.768 31.183 34.582 1.00 39.67 H new ATOM 0 HB ILE B 704 -13.474 31.585 32.331 1.00 37.97 H new ATOM 0 HG12 ILE B 704 -13.102 34.306 33.002 1.00 37.31 H new ATOM 0 HG13 ILE B 704 -12.215 33.544 31.970 1.00 37.31 H new ATOM 0 HG21 ILE B 704 -15.509 32.597 32.885 1.00 41.92 H new ATOM 0 HG22 ILE B 704 -15.120 31.487 33.945 1.00 41.92 H new ATOM 0 HG23 ILE B 704 -14.908 33.018 34.288 1.00 41.92 H new ATOM 0 HD11 ILE B 704 -13.828 34.790 30.843 1.00 41.89 H new ATOM 0 HD12 ILE B 704 -14.075 33.249 30.572 1.00 41.89 H new ATOM 0 HD13 ILE B 704 -14.975 34.023 31.620 1.00 41.89 H new ATOM 1573 N CYS B 705 -11.104 30.194 32.994 1.00 30.71 N ATOM 1574 CA CYS B 705 -10.060 29.556 32.192 1.00 30.15 C ATOM 1575 C CYS B 705 -9.956 30.264 30.870 1.00 29.31 C ATOM 1576 O CYS B 705 -10.924 30.332 30.113 1.00 30.71 O ATOM 1577 CB CYS B 705 -10.355 28.110 32.013 1.00 28.40 C ATOM 1578 SG CYS B 705 -9.142 27.142 30.972 1.00 24.79 S ATOM 0 H CYS B 705 -11.718 29.647 33.246 1.00 30.71 H new ATOM 0 HA CYS B 705 -9.207 29.622 32.649 1.00 30.15 H new ATOM 0 HB2 CYS B 705 -10.401 27.698 32.890 1.00 28.40 H new ATOM 0 HB3 CYS B 705 -11.235 28.026 31.613 1.00 28.40 H new ATOM 1579 N GLU B 706 -8.763 30.740 30.580 1.00 26.88 N ATOM 1580 CA GLU B 706 -8.434 31.361 29.283 1.00 29.41 C ATOM 1581 C GLU B 706 -8.788 30.547 28.069 1.00 25.63 C ATOM 1582 O GLU B 706 -9.080 31.119 27.047 1.00 26.73 O ATOM 1583 CB GLU B 706 -6.941 31.625 29.178 1.00 31.15 C ATOM 1584 CG GLU B 706 -6.516 32.505 28.022 1.00 36.29 C ATOM 1585 CD GLU B 706 -6.752 33.969 28.304 1.00 38.86 C ATOM 1586 OE1 GLU B 706 -7.342 34.297 29.390 1.00 40.94 O ATOM 1587 OE2 GLU B 706 -6.312 34.775 27.452 1.00 37.61 O ATOM 0 H GLU B 706 -8.102 30.718 31.130 1.00 26.88 H new ATOM 0 HA GLU B 706 -8.971 32.169 29.280 1.00 29.41 H new ATOM 0 HB2 GLU B 706 -6.642 32.036 30.004 1.00 31.15 H new ATOM 0 HB3 GLU B 706 -6.482 30.774 29.102 1.00 31.15 H new ATOM 0 HG2 GLU B 706 -5.575 32.361 27.836 1.00 36.29 H new ATOM 0 HG3 GLU B 706 -7.005 32.248 27.225 1.00 36.29 H new ATOM 1588 N VAL B 707 -8.772 29.236 28.169 1.00 24.31 N ATOM 1589 CA VAL B 707 -8.875 28.394 26.998 1.00 24.14 C ATOM 1590 C VAL B 707 -10.344 28.013 26.762 1.00 29.18 C ATOM 1591 O VAL B 707 -10.845 28.164 25.637 1.00 27.73 O ATOM 1592 CB VAL B 707 -8.040 27.077 27.177 1.00 22.23 C ATOM 1593 CG1 VAL B 707 -8.107 26.198 25.995 1.00 21.88 C ATOM 1594 CG2 VAL B 707 -6.567 27.395 27.452 1.00 23.47 C ATOM 0 H VAL B 707 -8.702 28.809 28.912 1.00 24.31 H new ATOM 0 HA VAL B 707 -8.528 28.890 26.241 1.00 24.14 H new ATOM 0 HB VAL B 707 -8.434 26.614 27.933 1.00 22.23 H new ATOM 0 HG11 VAL B 707 -7.577 25.401 26.154 1.00 21.88 H new ATOM 0 HG12 VAL B 707 -9.029 25.946 25.831 1.00 21.88 H new ATOM 0 HG13 VAL B 707 -7.759 26.668 25.222 1.00 21.88 H new ATOM 0 HG21 VAL B 707 -6.072 26.568 27.559 1.00 23.47 H new ATOM 0 HG22 VAL B 707 -6.200 27.897 26.708 1.00 23.47 H new ATOM 0 HG23 VAL B 707 -6.495 27.921 28.264 1.00 23.47 H new ATOM 1595 N CYS B 708 -10.988 27.450 27.787 1.00 25.38 N ATOM 1596 CA CYS B 708 -12.358 26.948 27.652 1.00 27.05 C ATOM 1597 C CYS B 708 -13.409 27.915 28.221 1.00 29.81 C ATOM 1598 O CYS B 708 -14.590 27.607 28.150 1.00 33.41 O ATOM 1599 CB CYS B 708 -12.536 25.581 28.324 1.00 26.65 C ATOM 1600 SG CYS B 708 -12.569 25.670 30.148 1.00 28.50 S ATOM 0 H CYS B 708 -10.648 27.349 28.571 1.00 25.38 H new ATOM 0 HA CYS B 708 -12.502 26.863 26.696 1.00 27.05 H new ATOM 0 HB2 CYS B 708 -13.362 25.179 28.011 1.00 26.65 H new ATOM 0 HB3 CYS B 708 -11.813 24.996 28.048 1.00 26.65 H new ATOM 1601 N ASN B 709 -13.006 29.049 28.783 1.00 29.55 N ATOM 1602 CA ASN B 709 -13.946 30.008 29.380 1.00 35.41 C ATOM 1603 C ASN B 709 -14.892 29.533 30.503 1.00 38.40 C ATOM 1604 O ASN B 709 -15.857 30.212 30.788 1.00 47.26 O ATOM 1605 CB ASN B 709 -14.729 30.666 28.255 1.00 36.10 C ATOM 1606 CG ASN B 709 -13.788 31.194 27.201 1.00 43.70 C ATOM 1607 OD1 ASN B 709 -13.590 30.566 26.157 1.00 51.29 O ATOM 1608 ND2 ASN B 709 -13.118 32.281 27.513 1.00 40.25 N ATOM 0 H ASN B 709 -12.182 29.289 28.832 1.00 29.55 H new ATOM 0 HA ASN B 709 -13.377 30.623 29.868 1.00 35.41 H new ATOM 0 HB2 ASN B 709 -15.340 30.025 27.860 1.00 36.10 H new ATOM 0 HB3 ASN B 709 -15.268 31.391 28.609 1.00 36.10 H new ATOM 0 HD21 ASN B 709 -12.514 32.581 26.980 1.00 40.25 H new ATOM 0 HD22 ASN B 709 -13.284 32.692 28.250 1.00 40.25 H new ATOM 1609 N LYS B 710 -14.593 28.422 31.152 1.00 33.25 N ATOM 1610 CA LYS B 710 -15.336 27.935 32.280 1.00 36.86 C ATOM 1611 C LYS B 710 -14.636 28.263 33.642 1.00 42.30 C ATOM 1612 O LYS B 710 -13.404 28.412 33.754 1.00 38.13 O ATOM 1613 CB LYS B 710 -15.504 26.435 32.159 1.00 40.00 C ATOM 1614 CG LYS B 710 -16.240 25.963 30.922 1.00 49.80 C ATOM 1615 CD LYS B 710 -17.597 26.603 30.751 1.00 55.86 C ATOM 1616 CE LYS B 710 -18.290 26.081 29.490 1.00 69.62 C ATOM 1617 NZ LYS B 710 -19.553 26.797 29.103 1.00 71.77 N ATOM 0 H LYS B 710 -13.930 27.919 30.936 1.00 33.25 H new ATOM 0 HA LYS B 710 -16.197 28.381 32.276 1.00 36.86 H new ATOM 0 HB2 LYS B 710 -14.625 26.024 32.171 1.00 40.00 H new ATOM 0 HB3 LYS B 710 -15.978 26.113 32.942 1.00 40.00 H new ATOM 0 HG2 LYS B 710 -15.699 26.153 30.140 1.00 49.80 H new ATOM 0 HG3 LYS B 710 -16.347 25.000 30.965 1.00 49.80 H new ATOM 0 HD2 LYS B 710 -18.147 26.417 31.528 1.00 55.86 H new ATOM 0 HD3 LYS B 710 -17.500 27.567 30.696 1.00 55.86 H new ATOM 0 HE2 LYS B 710 -17.665 26.137 28.750 1.00 69.62 H new ATOM 0 HE3 LYS B 710 -18.495 25.142 29.618 1.00 69.62 H new ATOM 0 HZ1 LYS B 710 -19.887 26.431 28.364 1.00 71.77 H new ATOM 0 HZ2 LYS B 710 -20.147 26.729 29.762 1.00 71.77 H new ATOM 0 HZ3 LYS B 710 -19.374 27.656 28.953 1.00 71.77 H new ATOM 1618 N TRP B 711 -15.456 28.388 34.675 1.00 42.38 N ATOM 1619 CA TRP B 711 -15.027 28.722 36.027 1.00 42.32 C ATOM 1620 C TRP B 711 -14.523 27.428 36.660 1.00 36.51 C ATOM 1621 O TRP B 711 -14.675 26.337 36.097 1.00 35.56 O ATOM 1622 CB TRP B 711 -16.217 29.333 36.865 1.00 47.77 C ATOM 1623 CG TRP B 711 -16.966 28.289 37.627 1.00 53.52 C ATOM 1624 CD1 TRP B 711 -17.659 27.211 37.091 1.00 51.91 C ATOM 1625 CD2 TRP B 711 -17.058 28.155 39.076 1.00 60.64 C ATOM 1626 NE1 TRP B 711 -18.169 26.431 38.119 1.00 65.79 N ATOM 1627 CE2 TRP B 711 -17.817 26.972 39.338 1.00 64.51 C ATOM 1628 CE3 TRP B 711 -16.591 28.927 40.175 1.00 62.73 C ATOM 1629 CZ2 TRP B 711 -18.128 26.533 40.671 1.00 66.91 C ATOM 1630 CZ3 TRP B 711 -16.916 28.486 41.514 1.00 59.85 C ATOM 1631 CH2 TRP B 711 -17.670 27.302 41.731 1.00 58.59 C ATOM 0 H TRP B 711 -16.306 28.277 34.608 1.00 42.38 H new ATOM 0 HA TRP B 711 -14.328 29.394 36.010 1.00 42.32 H new ATOM 0 HB2 TRP B 711 -15.869 29.995 37.483 1.00 47.77 H new ATOM 0 HB3 TRP B 711 -16.826 29.795 36.268 1.00 47.77 H new ATOM 0 HD1 TRP B 711 -17.765 27.039 36.183 1.00 51.91 H new ATOM 0 HE1 TRP B 711 -18.635 25.716 38.012 1.00 65.79 H new ATOM 0 HE3 TRP B 711 -16.089 29.697 40.036 1.00 62.73 H new ATOM 0 HZ2 TRP B 711 -18.621 25.758 40.818 1.00 66.91 H new ATOM 0 HZ3 TRP B 711 -16.627 28.985 42.244 1.00 59.85 H new ATOM 0 HH2 TRP B 711 -17.861 27.037 42.602 1.00 58.59 H new ATOM 1632 N GLY B 712 -13.917 27.549 37.850 1.00 35.45 N ATOM 1633 CA GLY B 712 -13.669 26.387 38.703 1.00 38.74 C ATOM 1634 C GLY B 712 -12.300 25.768 38.533 1.00 40.50 C ATOM 1635 O GLY B 712 -11.834 25.609 37.422 1.00 37.47 O ATOM 0 H GLY B 712 -13.644 28.296 38.177 1.00 35.45 H new ATOM 0 HA2 GLY B 712 -13.780 26.650 39.630 1.00 38.74 H new ATOM 0 HA3 GLY B 712 -14.342 25.713 38.517 1.00 38.74 H new ATOM 1636 N ARG B 713 -11.679 25.419 39.654 1.00 38.06 N ATOM 1637 CA ARG B 713 -10.454 24.610 39.674 1.00 37.49 C ATOM 1638 C ARG B 713 -9.301 25.338 38.897 1.00 27.33 C ATOM 1639 O ARG B 713 -8.598 24.739 38.214 1.00 27.24 O ATOM 1640 CB ARG B 713 -10.798 23.227 39.106 1.00 39.83 C ATOM 1641 CG ARG B 713 -9.983 22.085 39.689 1.00 53.33 C ATOM 1642 CD ARG B 713 -10.438 20.672 39.312 1.00 57.19 C ATOM 1643 NE ARG B 713 -11.658 20.185 39.985 1.00 65.02 N ATOM 1644 CZ ARG B 713 -12.909 20.191 39.477 1.00 73.76 C ATOM 1645 NH1 ARG B 713 -13.918 19.705 40.206 1.00 68.22 N ATOM 1646 NH2 ARG B 713 -13.194 20.695 38.263 1.00 80.62 N ATOM 0 H ARG B 713 -11.956 25.646 40.436 1.00 38.06 H new ATOM 0 HA ARG B 713 -10.121 24.493 40.578 1.00 37.49 H new ATOM 0 HB2 ARG B 713 -11.739 23.051 39.263 1.00 39.83 H new ATOM 0 HB3 ARG B 713 -10.669 23.244 38.145 1.00 39.83 H new ATOM 0 HG2 ARG B 713 -9.061 22.194 39.409 1.00 53.33 H new ATOM 0 HG3 ARG B 713 -9.997 22.162 40.656 1.00 53.33 H new ATOM 0 HD2 ARG B 713 -10.585 20.644 38.354 1.00 57.19 H new ATOM 0 HD3 ARG B 713 -9.715 20.056 39.506 1.00 57.19 H new ATOM 0 HE ARG B 713 -11.563 19.866 40.778 1.00 65.02 H new ATOM 0 HH11 ARG B 713 -13.768 19.391 40.993 1.00 68.22 H new ATOM 0 HH12 ARG B 713 -14.717 19.706 39.889 1.00 68.22 H new ATOM 0 HH21 ARG B 713 -12.567 21.030 37.779 1.00 80.62 H new ATOM 0 HH22 ARG B 713 -14.003 20.682 37.971 1.00 80.62 H new ATOM 1647 N LEU B 714 -9.156 26.629 39.076 1.00 25.06 N ATOM 1648 CA LEU B 714 -8.304 27.473 38.314 1.00 27.21 C ATOM 1649 C LEU B 714 -6.921 27.733 38.925 1.00 33.01 C ATOM 1650 O LEU B 714 -6.754 27.856 40.156 1.00 36.54 O ATOM 1651 CB LEU B 714 -8.987 28.798 38.107 1.00 27.62 C ATOM 1652 CG LEU B 714 -10.196 28.745 37.206 1.00 31.71 C ATOM 1653 CD1 LEU B 714 -10.710 30.184 37.112 1.00 32.00 C ATOM 1654 CD2 LEU B 714 -9.884 28.226 35.777 1.00 29.97 C ATOM 0 H LEU B 714 -9.584 27.056 39.688 1.00 25.06 H new ATOM 0 HA LEU B 714 -8.146 26.998 37.483 1.00 27.21 H new ATOM 0 HB2 LEU B 714 -9.256 29.148 38.970 1.00 27.62 H new ATOM 0 HB3 LEU B 714 -8.347 29.424 37.734 1.00 27.62 H new ATOM 0 HG LEU B 714 -10.842 28.124 37.579 1.00 31.71 H new ATOM 0 HD11 LEU B 714 -11.493 30.211 36.540 1.00 32.00 H new ATOM 0 HD12 LEU B 714 -10.945 30.502 37.998 1.00 32.00 H new ATOM 0 HD13 LEU B 714 -10.018 30.751 36.738 1.00 32.00 H new ATOM 0 HD21 LEU B 714 -10.699 28.216 35.251 1.00 29.97 H new ATOM 0 HD22 LEU B 714 -9.234 28.810 35.355 1.00 29.97 H new ATOM 0 HD23 LEU B 714 -9.524 27.327 35.831 1.00 29.97 H new ATOM 1655 N PHE B 715 -5.928 27.819 38.048 1.00 32.99 N ATOM 1656 CA PHE B 715 -4.569 28.133 38.443 1.00 31.35 C ATOM 1657 C PHE B 715 -4.304 29.447 37.836 1.00 30.87 C ATOM 1658 O PHE B 715 -4.557 29.607 36.632 1.00 34.42 O ATOM 1659 CB PHE B 715 -3.635 27.131 37.864 1.00 31.23 C ATOM 1660 CG PHE B 715 -3.706 25.774 38.492 1.00 29.85 C ATOM 1661 CD1 PHE B 715 -4.583 24.846 38.037 1.00 32.79 C ATOM 1662 CD2 PHE B 715 -2.805 25.402 39.467 1.00 32.79 C ATOM 1663 CE1 PHE B 715 -4.622 23.584 38.592 1.00 34.68 C ATOM 1664 CE2 PHE B 715 -2.812 24.152 40.026 1.00 29.52 C ATOM 1665 CZ PHE B 715 -3.718 23.239 39.598 1.00 35.10 C ATOM 0 H PHE B 715 -6.028 27.695 37.203 1.00 32.99 H new ATOM 0 HA PHE B 715 -4.453 28.131 39.406 1.00 31.35 H new ATOM 0 HB2 PHE B 715 -3.819 27.045 36.916 1.00 31.23 H new ATOM 0 HB3 PHE B 715 -2.728 27.466 37.948 1.00 31.23 H new ATOM 0 HD1 PHE B 715 -5.164 25.062 37.344 1.00 32.79 H new ATOM 0 HD2 PHE B 715 -2.172 26.020 39.754 1.00 32.79 H new ATOM 0 HE1 PHE B 715 -5.249 22.964 38.297 1.00 34.68 H new ATOM 0 HE2 PHE B 715 -2.202 23.932 40.692 1.00 29.52 H new ATOM 0 HZ PHE B 715 -3.737 22.388 39.972 1.00 35.10 H new ATOM 1666 N CYS B 716 -3.758 30.377 38.619 1.00 31.53 N ATOM 1667 CA ACYS B 716 -3.509 31.727 38.099 0.64 33.52 C ATOM 1668 CA BCYS B 716 -3.462 31.772 38.239 0.36 34.84 C ATOM 1669 C CYS B 716 -2.050 31.909 37.734 1.00 31.98 C ATOM 1670 O CYS B 716 -1.144 31.384 38.377 1.00 35.56 O ATOM 1671 CB ACYS B 716 -3.990 32.819 39.083 0.64 39.16 C ATOM 1672 CB BCYS B 716 -3.551 32.692 39.492 0.36 40.28 C ATOM 1673 SG ACYS B 716 -5.658 32.482 39.704 0.64 44.57 S ATOM 1674 SG BCYS B 716 -2.109 32.636 40.648 0.36 48.32 S ATOM 0 H ACYS B 716 -3.528 30.253 39.438 0.64 31.53 H new ATOM 0 H BCYS B 716 -3.536 30.207 39.432 0.36 31.53 H new ATOM 0 HA ACYS B 716 -4.031 31.828 37.288 0.64 34.84 H new ATOM 0 HA BCYS B 716 -4.103 32.020 37.554 0.36 34.84 H new ATOM 0 HB2ACYS B 716 -3.373 32.876 39.829 0.64 40.28 H new ATOM 0 HB2BCYS B 716 -3.666 33.607 39.191 0.36 40.28 H new ATOM 0 HB3ACYS B 716 -3.979 33.681 38.639 0.64 40.28 H new ATOM 0 HB3BCYS B 716 -4.350 32.455 39.989 0.36 40.28 H new ATOM 0 HG ACYS B 716 -6.452 32.622 38.815 0.64 48.32 H new ATOM 0 HG BCYS B 716 -1.199 32.054 40.125 0.36 48.32 H new ATOM 1675 N CYS B 717 -1.843 32.623 36.643 1.00 29.52 N ATOM 1676 CA CYS B 717 -0.497 32.987 36.235 1.00 32.31 C ATOM 1677 C CYS B 717 0.007 34.117 37.207 1.00 41.37 C ATOM 1678 O CYS B 717 -0.776 35.078 37.547 1.00 42.97 O ATOM 1679 CB CYS B 717 -0.471 33.433 34.762 1.00 31.63 C ATOM 1680 SG CYS B 717 1.155 33.974 34.156 1.00 28.84 S ATOM 0 H CYS B 717 -2.467 32.908 36.124 1.00 29.52 H new ATOM 0 HA CYS B 717 0.098 32.223 36.294 1.00 32.31 H new ATOM 0 HB2 CYS B 717 -0.780 32.698 34.209 1.00 31.63 H new ATOM 0 HB3 CYS B 717 -1.103 34.160 34.646 1.00 31.63 H new ATOM 1681 N ASP B 718 1.275 34.009 37.640 1.00 40.79 N ATOM 1682 CA ASP B 718 1.916 35.057 38.447 1.00 42.25 C ATOM 1683 C ASP B 718 2.385 36.254 37.691 1.00 41.66 C ATOM 1684 O ASP B 718 2.631 37.273 38.306 1.00 49.29 O ATOM 1685 CB ASP B 718 3.040 34.480 39.303 1.00 44.59 C ATOM 1686 CG ASP B 718 2.490 33.524 40.358 1.00 54.65 C ATOM 1687 OD1 ASP B 718 1.609 33.985 41.106 1.00 66.49 O ATOM 1688 OD2 ASP B 718 2.866 32.326 40.429 1.00 50.15 O ATOM 0 H ASP B 718 1.780 33.333 37.475 1.00 40.79 H new ATOM 0 HA ASP B 718 1.206 35.390 39.018 1.00 42.25 H new ATOM 0 HB2 ASP B 718 3.674 34.012 38.737 1.00 44.59 H new ATOM 0 HB3 ASP B 718 3.524 35.201 39.736 1.00 44.59 H new ATOM 1689 N THR B 719 2.482 36.205 36.372 1.00 39.40 N ATOM 1690 CA THR B 719 3.047 37.343 35.639 1.00 36.95 C ATOM 1691 C THR B 719 2.094 37.961 34.670 1.00 34.43 C ATOM 1692 O THR B 719 2.446 38.918 34.011 1.00 34.62 O ATOM 1693 CB THR B 719 4.359 36.904 34.956 1.00 44.39 C ATOM 1694 OG1 THR B 719 4.169 35.614 34.370 1.00 42.28 O ATOM 1695 CG2 THR B 719 5.494 36.746 36.014 1.00 42.63 C ATOM 0 H THR B 719 2.234 35.541 35.885 1.00 39.40 H new ATOM 0 HA THR B 719 3.235 38.045 36.282 1.00 36.95 H new ATOM 0 HB THR B 719 4.597 37.573 34.295 1.00 44.39 H new ATOM 0 HG1 THR B 719 3.777 35.696 33.632 1.00 42.28 H new ATOM 0 HG21 THR B 719 6.312 36.470 35.572 1.00 42.63 H new ATOM 0 HG22 THR B 719 5.639 37.594 36.462 1.00 42.63 H new ATOM 0 HG23 THR B 719 5.237 36.076 36.666 1.00 42.63 H new ATOM 1696 N CYS B 720 0.876 37.440 34.591 1.00 35.93 N ATOM 1697 CA CYS B 720 -0.204 38.096 33.855 1.00 37.16 C ATOM 1698 C CYS B 720 -1.562 37.757 34.502 1.00 35.02 C ATOM 1699 O CYS B 720 -1.628 36.934 35.420 1.00 32.47 O ATOM 1700 CB CYS B 720 -0.163 37.653 32.383 1.00 38.18 C ATOM 1701 SG CYS B 720 -0.944 36.013 32.038 1.00 34.41 S ATOM 0 H CYS B 720 0.650 36.697 34.961 1.00 35.93 H new ATOM 0 HA CYS B 720 -0.088 39.058 33.890 1.00 37.16 H new ATOM 0 HB2 CYS B 720 -0.606 38.327 31.844 1.00 38.18 H new ATOM 0 HB3 CYS B 720 0.763 37.622 32.094 1.00 38.18 H new ATOM 1702 N PRO B 721 -2.653 38.381 34.031 1.00 39.16 N ATOM 1703 CA PRO B 721 -3.956 38.088 34.653 1.00 42.01 C ATOM 1704 C PRO B 721 -4.637 36.769 34.264 1.00 37.68 C ATOM 1705 O PRO B 721 -5.694 36.464 34.789 1.00 33.09 O ATOM 1706 CB PRO B 721 -4.840 39.261 34.200 1.00 44.51 C ATOM 1707 CG PRO B 721 -4.102 39.962 33.114 1.00 47.86 C ATOM 1708 CD PRO B 721 -2.774 39.317 32.903 1.00 44.56 C ATOM 0 HA PRO B 721 -3.824 37.987 35.609 1.00 42.01 H new ATOM 0 HB2 PRO B 721 -5.699 38.942 33.882 1.00 44.51 H new ATOM 0 HB3 PRO B 721 -5.018 39.863 34.939 1.00 44.51 H new ATOM 0 HG2 PRO B 721 -4.617 39.935 32.293 1.00 47.86 H new ATOM 0 HG3 PRO B 721 -3.983 40.897 33.344 1.00 47.86 H new ATOM 0 HD2 PRO B 721 -2.735 38.854 32.051 1.00 44.56 H new ATOM 0 HD3 PRO B 721 -2.057 39.970 32.904 1.00 44.56 H new ATOM 1709 N ARG B 722 -4.054 35.964 33.378 1.00 34.76 N ATOM 1710 CA ARG B 722 -4.752 34.757 32.901 1.00 31.84 C ATOM 1711 C ARG B 722 -4.856 33.649 33.965 1.00 29.11 C ATOM 1712 O ARG B 722 -4.044 33.544 34.873 1.00 32.55 O ATOM 1713 CB ARG B 722 -4.096 34.250 31.632 1.00 30.00 C ATOM 1714 CG ARG B 722 -4.084 35.267 30.521 1.00 29.25 C ATOM 1715 CD ARG B 722 -3.381 34.665 29.338 1.00 29.43 C ATOM 1716 NE ARG B 722 -3.374 35.506 28.180 1.00 28.79 N ATOM 1717 CZ ARG B 722 -2.449 36.421 27.937 1.00 30.57 C ATOM 1718 NH1 ARG B 722 -1.456 36.649 28.782 1.00 35.60 N ATOM 1719 NH2 ARG B 722 -2.522 37.109 26.822 1.00 29.64 N ATOM 0 H ARG B 722 -3.272 36.089 33.043 1.00 34.76 H new ATOM 0 HA ARG B 722 -5.667 35.013 32.707 1.00 31.84 H new ATOM 0 HB2 ARG B 722 -3.184 33.986 31.830 1.00 30.00 H new ATOM 0 HB3 ARG B 722 -4.562 33.455 31.329 1.00 30.00 H new ATOM 0 HG2 ARG B 722 -4.990 35.519 30.283 1.00 29.25 H new ATOM 0 HG3 ARG B 722 -3.631 36.075 30.808 1.00 29.25 H new ATOM 0 HD2 ARG B 722 -2.465 34.462 29.585 1.00 29.43 H new ATOM 0 HD3 ARG B 722 -3.807 33.823 29.113 1.00 29.43 H new ATOM 0 HE ARG B 722 -4.009 35.411 27.608 1.00 28.79 H new ATOM 0 HH11 ARG B 722 -1.400 36.197 29.511 1.00 35.60 H new ATOM 0 HH12 ARG B 722 -0.867 37.249 28.602 1.00 35.60 H new ATOM 0 HH21 ARG B 722 -3.162 36.961 26.267 1.00 29.64 H new ATOM 0 HH22 ARG B 722 -1.930 37.708 26.647 1.00 29.64 H new ATOM 1720 N SER B 723 -5.888 32.841 33.838 1.00 27.20 N ATOM 1721 CA SER B 723 -6.125 31.701 34.669 1.00 29.95 C ATOM 1722 C SER B 723 -6.416 30.473 33.772 1.00 27.94 C ATOM 1723 O SER B 723 -6.805 30.636 32.622 1.00 31.39 O ATOM 1724 CB SER B 723 -7.276 31.989 35.692 1.00 33.89 C ATOM 1725 OG SER B 723 -6.970 33.139 36.541 1.00 38.35 O ATOM 0 H SER B 723 -6.492 32.953 33.237 1.00 27.20 H new ATOM 0 HA SER B 723 -5.336 31.505 35.198 1.00 29.95 H new ATOM 0 HB2 SER B 723 -8.103 32.152 35.212 1.00 33.89 H new ATOM 0 HB3 SER B 723 -7.420 31.206 36.247 1.00 33.89 H new ATOM 0 HG SER B 723 -7.621 33.670 36.540 1.00 38.35 H new ATOM 1726 N PHE B 724 -6.152 29.265 34.284 1.00 27.02 N ATOM 1727 CA PHE B 724 -6.216 28.046 33.461 1.00 26.60 C ATOM 1728 C PHE B 724 -6.631 26.909 34.288 1.00 26.25 C ATOM 1729 O PHE B 724 -6.194 26.852 35.417 1.00 26.03 O ATOM 1730 CB PHE B 724 -4.803 27.687 32.905 1.00 23.73 C ATOM 1731 CG PHE B 724 -4.229 28.739 32.006 1.00 23.21 C ATOM 1732 CD1 PHE B 724 -3.445 29.791 32.519 1.00 24.78 C ATOM 1733 CD2 PHE B 724 -4.437 28.685 30.616 1.00 24.41 C ATOM 1734 CE1 PHE B 724 -2.921 30.792 31.653 1.00 21.97 C ATOM 1735 CE2 PHE B 724 -3.930 29.664 29.772 1.00 21.87 C ATOM 1736 CZ PHE B 724 -3.162 30.703 30.282 1.00 22.49 C ATOM 0 H PHE B 724 -5.934 29.129 35.105 1.00 27.02 H new ATOM 0 HA PHE B 724 -6.843 28.213 32.740 1.00 26.60 H new ATOM 0 HB2 PHE B 724 -4.198 27.542 33.649 1.00 23.73 H new ATOM 0 HB3 PHE B 724 -4.858 26.850 32.418 1.00 23.73 H new ATOM 0 HD1 PHE B 724 -3.268 29.832 33.431 1.00 24.78 H new ATOM 0 HD2 PHE B 724 -4.924 27.980 30.255 1.00 24.41 H new ATOM 0 HE1 PHE B 724 -2.423 31.498 31.998 1.00 21.97 H new ATOM 0 HE2 PHE B 724 -4.106 29.624 28.860 1.00 21.87 H new ATOM 0 HZ PHE B 724 -2.807 31.342 29.707 1.00 22.49 H new ATOM 1737 N HIS B 725 -7.394 25.963 33.723 1.00 24.80 N ATOM 1738 CA HIS B 725 -7.481 24.654 34.263 1.00 23.95 C ATOM 1739 C HIS B 725 -6.163 23.946 34.036 1.00 30.08 C ATOM 1740 O HIS B 725 -5.439 24.254 33.055 1.00 25.28 O ATOM 1741 CB HIS B 725 -8.605 23.842 33.635 1.00 25.15 C ATOM 1742 CG HIS B 725 -9.952 24.400 33.926 1.00 30.68 C ATOM 1743 ND1 HIS B 725 -10.797 24.860 32.951 1.00 32.76 N ATOM 1744 CD2 HIS B 725 -10.565 24.650 35.108 1.00 30.89 C ATOM 1745 CE1 HIS B 725 -11.891 25.351 33.511 1.00 34.83 C ATOM 1746 NE2 HIS B 725 -11.770 25.228 34.823 1.00 35.81 N ATOM 0 H HIS B 725 -7.867 26.087 33.015 1.00 24.80 H new ATOM 0 HA HIS B 725 -7.676 24.733 35.210 1.00 23.95 H new ATOM 0 HB2 HIS B 725 -8.475 23.807 32.674 1.00 25.15 H new ATOM 0 HB3 HIS B 725 -8.560 22.930 33.961 1.00 25.15 H new ATOM 0 HD2 HIS B 725 -10.229 24.463 35.955 1.00 30.89 H new ATOM 0 HE1 HIS B 725 -12.618 25.718 33.061 1.00 34.83 H new ATOM 0 HE2 HIS B 725 -12.356 25.473 35.403 1.00 35.81 H new ATOM 1747 N GLU B 726 -5.940 22.932 34.881 1.00 29.30 N ATOM 1748 CA GLU B 726 -4.731 22.148 34.888 1.00 34.47 C ATOM 1749 C GLU B 726 -4.377 21.577 33.497 1.00 31.40 C ATOM 1750 O GLU B 726 -3.252 21.740 33.051 1.00 29.77 O ATOM 1751 CB GLU B 726 -4.831 20.995 35.874 1.00 35.72 C ATOM 1752 CG GLU B 726 -3.521 20.243 36.044 1.00 36.37 C ATOM 1753 CD GLU B 726 -3.503 19.293 37.253 1.00 46.72 C ATOM 1754 OE1 GLU B 726 -4.489 19.262 38.038 1.00 48.38 O ATOM 1755 OE2 GLU B 726 -2.494 18.563 37.410 1.00 46.07 O ATOM 0 H GLU B 726 -6.510 22.686 35.476 1.00 29.30 H new ATOM 0 HA GLU B 726 -4.026 22.758 35.156 1.00 34.47 H new ATOM 0 HB2 GLU B 726 -5.116 21.337 36.736 1.00 35.72 H new ATOM 0 HB3 GLU B 726 -5.516 20.377 35.573 1.00 35.72 H new ATOM 0 HG2 GLU B 726 -3.345 19.732 35.239 1.00 36.37 H new ATOM 0 HG3 GLU B 726 -2.799 20.884 36.137 1.00 36.37 H new ATOM 1756 N HIS B 727 -5.341 20.937 32.862 1.00 30.48 N ATOM 1757 CA HIS B 727 -5.177 20.304 31.590 1.00 31.15 C ATOM 1758 C HIS B 727 -5.680 21.108 30.371 1.00 29.22 C ATOM 1759 O HIS B 727 -5.608 20.619 29.226 1.00 22.97 O ATOM 1760 CB HIS B 727 -5.760 18.884 31.637 1.00 35.55 C ATOM 1761 CG HIS B 727 -5.206 18.060 32.756 1.00 42.02 C ATOM 1762 ND1 HIS B 727 -3.888 17.652 32.803 1.00 44.80 N ATOM 1763 CD2 HIS B 727 -5.771 17.626 33.907 1.00 46.98 C ATOM 1764 CE1 HIS B 727 -3.674 16.975 33.918 1.00 47.53 C ATOM 1765 NE2 HIS B 727 -4.804 16.933 34.600 1.00 49.82 N ATOM 0 H HIS B 727 -6.137 20.861 33.180 1.00 30.48 H new ATOM 0 HA HIS B 727 -4.220 20.259 31.437 1.00 31.15 H new ATOM 0 HB2 HIS B 727 -6.724 18.939 31.729 1.00 35.55 H new ATOM 0 HB3 HIS B 727 -5.580 18.438 30.794 1.00 35.55 H new ATOM 0 HD2 HIS B 727 -6.649 17.769 34.179 1.00 46.98 H new ATOM 0 HE1 HIS B 727 -2.866 16.594 34.178 1.00 47.53 H new ATOM 0 HE2 HIS B 727 -4.918 16.537 35.355 1.00 49.82 H new ATOM 1766 N CYS B 728 -6.140 22.331 30.599 1.00 23.57 N ATOM 1767 CA CYS B 728 -6.411 23.262 29.535 1.00 21.44 C ATOM 1768 C CYS B 728 -5.139 23.956 29.143 1.00 23.17 C ATOM 1769 O CYS B 728 -4.882 24.133 27.941 1.00 21.05 O ATOM 1770 CB CYS B 728 -7.540 24.295 29.866 1.00 23.52 C ATOM 1771 SG CYS B 728 -9.235 23.626 29.812 1.00 26.01 S ATOM 0 H CYS B 728 -6.303 22.639 31.385 1.00 23.57 H new ATOM 0 HA CYS B 728 -6.752 22.747 28.787 1.00 21.44 H new ATOM 0 HB2 CYS B 728 -7.378 24.659 30.751 1.00 23.52 H new ATOM 0 HB3 CYS B 728 -7.478 25.033 29.240 1.00 23.52 H new ATOM 1772 N HIS B 729 -4.292 24.258 30.121 1.00 22.69 N ATOM 1773 CA HIS B 729 -3.044 24.853 29.795 1.00 23.85 C ATOM 1774 C HIS B 729 -2.229 23.735 29.081 1.00 23.94 C ATOM 1775 O HIS B 729 -2.412 22.543 29.360 1.00 24.29 O ATOM 1776 CB HIS B 729 -2.298 25.268 31.067 1.00 26.18 C ATOM 1777 CG HIS B 729 -1.084 26.097 30.798 1.00 24.63 C ATOM 1778 ND1 HIS B 729 0.178 25.562 30.654 1.00 26.37 N ATOM 1779 CD2 HIS B 729 -0.959 27.417 30.592 1.00 25.75 C ATOM 1780 CE1 HIS B 729 1.039 26.524 30.413 1.00 27.10 C ATOM 1781 NE2 HIS B 729 0.376 27.661 30.395 1.00 28.56 N ATOM 0 H HIS B 729 -4.432 24.123 30.959 1.00 22.69 H new ATOM 0 HA HIS B 729 -3.164 25.644 29.246 1.00 23.85 H new ATOM 0 HB2 HIS B 729 -2.901 25.766 31.640 1.00 26.18 H new ATOM 0 HB3 HIS B 729 -2.036 24.472 31.555 1.00 26.18 H new ATOM 0 HD1 HIS B 729 0.372 24.726 30.713 1.00 26.37 H new ATOM 0 HD2 HIS B 729 -1.645 28.045 30.584 1.00 25.75 H new ATOM 0 HE1 HIS B 729 1.953 26.420 30.279 1.00 27.10 H new ATOM 1782 N ILE B 730 -1.320 24.144 28.195 1.00 23.90 N ATOM 1783 CA ILE B 730 -0.392 23.246 27.503 1.00 24.04 C ATOM 1784 C ILE B 730 1.020 23.822 27.660 1.00 24.66 C ATOM 1785 O ILE B 730 1.257 25.006 27.350 1.00 27.76 O ATOM 1786 CB ILE B 730 -0.711 23.009 26.008 1.00 24.57 C ATOM 1787 CG1 ILE B 730 -2.184 22.675 25.797 1.00 24.16 C ATOM 1788 CG2 ILE B 730 0.119 21.802 25.487 1.00 24.19 C ATOM 1789 CD1 ILE B 730 -2.602 22.371 24.362 1.00 23.81 C ATOM 0 H ILE B 730 -1.223 24.970 27.974 1.00 23.90 H new ATOM 0 HA ILE B 730 -0.477 22.371 27.913 1.00 24.04 H new ATOM 0 HB ILE B 730 -0.492 23.825 25.531 1.00 24.57 H new ATOM 0 HG12 ILE B 730 -2.406 21.909 26.349 1.00 24.16 H new ATOM 0 HG13 ILE B 730 -2.716 23.420 26.119 1.00 24.16 H new ATOM 0 HG21 ILE B 730 -0.080 21.653 24.550 1.00 24.19 H new ATOM 0 HG22 ILE B 730 1.065 21.991 25.590 1.00 24.19 H new ATOM 0 HG23 ILE B 730 -0.109 21.008 25.996 1.00 24.19 H new ATOM 0 HD11 ILE B 730 -3.551 22.173 24.336 1.00 23.81 H new ATOM 0 HD12 ILE B 730 -2.418 23.141 23.801 1.00 23.81 H new ATOM 0 HD13 ILE B 730 -2.103 21.606 24.035 1.00 23.81 H new ATOM 1790 N PRO B 731 1.973 23.033 28.156 1.00 24.52 N ATOM 1791 CA PRO B 731 1.770 21.748 28.836 1.00 26.87 C ATOM 1792 C PRO B 731 0.990 21.922 30.146 1.00 26.32 C ATOM 1793 O PRO B 731 0.778 23.080 30.604 1.00 25.94 O ATOM 1794 CB PRO B 731 3.192 21.293 29.183 1.00 29.52 C ATOM 1795 CG PRO B 731 4.114 22.464 28.911 1.00 30.59 C ATOM 1796 CD PRO B 731 3.341 23.568 28.262 1.00 28.88 C ATOM 0 HA PRO B 731 1.270 21.128 28.283 1.00 26.87 H new ATOM 0 HB2 PRO B 731 3.248 21.022 30.113 1.00 29.52 H new ATOM 0 HB3 PRO B 731 3.446 20.525 28.648 1.00 29.52 H new ATOM 0 HG2 PRO B 731 4.509 22.777 29.740 1.00 30.59 H new ATOM 0 HG3 PRO B 731 4.844 22.186 28.336 1.00 30.59 H new ATOM 0 HD2 PRO B 731 3.365 24.379 28.794 1.00 28.88 H new ATOM 0 HD3 PRO B 731 3.704 23.790 27.390 1.00 28.88 H new ATOM 1797 N SER B 732 0.518 20.813 30.678 1.00 24.81 N ATOM 1798 CA SER B 732 -0.260 20.810 31.927 1.00 29.79 C ATOM 1799 C SER B 732 0.389 21.636 33.025 1.00 32.22 C ATOM 1800 O SER B 732 1.599 21.740 33.117 1.00 32.66 O ATOM 1801 CB SER B 732 -0.384 19.422 32.432 1.00 30.45 C ATOM 1802 OG SER B 732 -1.302 18.780 31.631 1.00 38.86 O ATOM 0 H SER B 732 0.633 20.033 30.334 1.00 24.81 H new ATOM 0 HA SER B 732 -1.124 21.197 31.715 1.00 29.79 H new ATOM 0 HB2 SER B 732 0.473 18.969 32.402 1.00 30.45 H new ATOM 0 HB3 SER B 732 -0.675 19.419 33.357 1.00 30.45 H new ATOM 0 HG SER B 732 -1.954 18.528 32.097 1.00 38.86 H new ATOM 1803 N VAL B 733 -0.415 22.261 33.850 1.00 33.89 N ATOM 1804 CA VAL B 733 0.115 23.212 34.816 1.00 32.38 C ATOM 1805 C VAL B 733 0.985 22.402 35.763 1.00 34.76 C ATOM 1806 O VAL B 733 0.611 21.272 36.091 1.00 33.43 O ATOM 1807 CB VAL B 733 -1.008 23.894 35.610 1.00 29.97 C ATOM 1808 CG1 VAL B 733 -0.455 24.762 36.739 1.00 30.82 C ATOM 1809 CG2 VAL B 733 -1.860 24.764 34.699 1.00 29.03 C ATOM 0 H VAL B 733 -1.268 22.156 33.874 1.00 33.89 H new ATOM 0 HA VAL B 733 0.610 23.914 34.365 1.00 32.38 H new ATOM 0 HB VAL B 733 -1.550 23.187 35.993 1.00 29.97 H new ATOM 0 HG11 VAL B 733 -1.189 25.176 37.218 1.00 30.82 H new ATOM 0 HG12 VAL B 733 0.059 24.210 37.350 1.00 30.82 H new ATOM 0 HG13 VAL B 733 0.117 25.451 36.367 1.00 30.82 H new ATOM 0 HG21 VAL B 733 -2.563 25.185 35.218 1.00 29.03 H new ATOM 0 HG22 VAL B 733 -1.305 25.447 34.292 1.00 29.03 H new ATOM 0 HG23 VAL B 733 -2.257 24.215 34.005 1.00 29.03 H new ATOM 1810 N GLU B 734 2.159 22.946 36.124 1.00 39.97 N ATOM 1811 CA GLU B 734 3.007 22.399 37.245 1.00 51.75 C ATOM 1812 C GLU B 734 2.415 22.939 38.560 1.00 52.60 C ATOM 1813 O GLU B 734 2.653 24.116 38.952 1.00 53.62 O ATOM 1814 CB GLU B 734 4.472 22.813 37.148 1.00 55.78 C ATOM 1815 CG GLU B 734 5.167 22.388 35.868 1.00 67.14 C ATOM 1816 CD GLU B 734 5.075 23.416 34.761 1.00 80.29 C ATOM 1817 OE1 GLU B 734 4.847 24.599 35.091 1.00 93.34 O ATOM 1818 OE2 GLU B 734 5.224 23.047 33.562 1.00 95.91 O ATOM 0 H GLU B 734 2.497 23.637 35.739 1.00 39.97 H new ATOM 0 HA GLU B 734 2.994 21.430 37.199 1.00 51.75 H new ATOM 0 HB2 GLU B 734 4.529 23.778 37.227 1.00 55.78 H new ATOM 0 HB3 GLU B 734 4.952 22.438 37.903 1.00 55.78 H new ATOM 0 HG2 GLU B 734 6.102 22.212 36.059 1.00 67.14 H new ATOM 0 HG3 GLU B 734 4.779 21.555 35.559 1.00 67.14 H new ATOM 1819 N ALA B 735 1.594 22.096 39.188 1.00 55.30 N ATOM 1820 CA ALA B 735 0.842 22.437 40.405 1.00 67.66 C ATOM 1821 C ALA B 735 1.767 22.745 41.615 1.00 74.96 C ATOM 1822 O ALA B 735 1.491 23.658 42.418 1.00 78.64 O ATOM 1823 CB ALA B 735 -0.142 21.309 40.732 1.00 65.05 C ATOM 0 H ALA B 735 1.454 21.293 38.915 1.00 55.30 H new ATOM 0 HA ALA B 735 0.349 23.254 40.230 1.00 67.66 H new ATOM 0 HB1 ALA B 735 -0.638 21.534 41.535 1.00 65.05 H new ATOM 0 HB2 ALA B 735 -0.759 21.194 39.993 1.00 65.05 H new ATOM 0 HB3 ALA B 735 0.347 20.484 40.876 1.00 65.05 H new ATOM 1824 N ASN B 736 2.838 21.957 41.714 1.00 72.99 N ATOM 1825 CA ASN B 736 3.997 22.190 42.595 1.00 80.63 C ATOM 1826 C ASN B 736 4.701 23.574 42.533 1.00 84.62 C ATOM 1827 O ASN B 736 5.330 23.955 43.520 1.00 82.61 O ATOM 1828 CB ASN B 736 5.075 21.163 42.237 1.00 83.53 C ATOM 1829 CG ASN B 736 5.539 21.310 40.780 1.00 87.26 C ATOM 1830 OD1 ASN B 736 4.770 21.060 39.841 1.00 85.76 O ATOM 1831 ND2 ASN B 736 6.768 21.781 40.590 1.00 90.48 N ATOM 0 H ASN B 736 2.917 21.237 41.250 1.00 72.99 H new ATOM 0 HA ASN B 736 3.618 22.127 43.486 1.00 80.63 H new ATOM 0 HB2 ASN B 736 5.834 21.270 42.831 1.00 83.53 H new ATOM 0 HB3 ASN B 736 4.729 20.268 42.378 1.00 83.53 H new ATOM 0 HD21 ASN B 736 7.055 21.923 39.792 1.00 90.48 H new ATOM 0 HD22 ASN B 736 7.275 21.944 41.265 1.00 90.48 H new ATOM 1832 N LYS B 737 4.654 24.280 41.388 1.00 88.70 N ATOM 1833 CA LYS B 737 5.529 25.471 41.126 1.00 88.61 C ATOM 1834 C LYS B 737 4.961 26.798 41.605 1.00 82.26 C ATOM 1835 O LYS B 737 3.755 26.979 41.606 1.00 77.13 O ATOM 1836 CB LYS B 737 5.876 25.603 39.635 1.00 86.94 C ATOM 1837 CG LYS B 737 7.189 24.936 39.246 1.00 92.93 C ATOM 1838 CD LYS B 737 7.817 25.575 38.024 1.00 94.06 C ATOM 1839 CE LYS B 737 8.128 27.041 38.261 1.00 96.34 C ATOM 1840 NZ LYS B 737 9.219 27.525 37.384 1.00101.13 N ATOM 0 H LYS B 737 4.121 24.092 40.740 1.00 88.70 H new ATOM 0 HA LYS B 737 6.325 25.291 41.650 1.00 88.61 H new ATOM 0 HB2 LYS B 737 5.159 25.216 39.109 1.00 86.94 H new ATOM 0 HB3 LYS B 737 5.921 26.544 39.404 1.00 86.94 H new ATOM 0 HG2 LYS B 737 7.809 24.988 39.990 1.00 92.93 H new ATOM 0 HG3 LYS B 737 7.032 23.995 39.072 1.00 92.93 H new ATOM 0 HD2 LYS B 737 8.633 25.103 37.794 1.00 94.06 H new ATOM 0 HD3 LYS B 737 7.216 25.489 37.267 1.00 94.06 H new ATOM 0 HE2 LYS B 737 7.330 27.570 38.105 1.00 96.34 H new ATOM 0 HE3 LYS B 737 8.378 27.172 39.189 1.00 96.34 H new ATOM 0 HZ1 LYS B 737 9.374 28.386 37.550 1.00101.13 H new ATOM 0 HZ2 LYS B 737 9.958 27.055 37.542 1.00101.13 H new ATOM 0 HZ3 LYS B 737 8.982 27.426 36.532 1.00101.13 H new ATOM 1841 N ASN B 738 5.843 27.725 41.995 1.00 85.19 N ATOM 1842 CA ASN B 738 5.427 28.980 42.645 1.00 83.57 C ATOM 1843 C ASN B 738 6.620 29.944 42.852 1.00 77.71 C ATOM 1844 O ASN B 738 7.351 29.778 43.806 1.00 85.32 O ATOM 1845 CB ASN B 738 4.716 28.686 43.990 1.00 89.63 C ATOM 1846 CG ASN B 738 3.613 29.683 44.297 1.00 92.38 C ATOM 1847 OD1 ASN B 738 3.842 30.887 44.300 1.00111.52 O ATOM 1848 ND2 ASN B 738 2.414 29.187 44.531 1.00 86.04 N ATOM 0 H ASN B 738 6.693 27.647 41.892 1.00 85.19 H new ATOM 0 HA ASN B 738 4.799 29.422 42.053 1.00 83.57 H new ATOM 0 HB2 ASN B 738 4.341 27.792 43.965 1.00 89.63 H new ATOM 0 HB3 ASN B 738 5.369 28.700 44.707 1.00 89.63 H new ATOM 0 HD21 ASN B 738 1.755 29.715 44.694 1.00 86.04 H new ATOM 0 HD22 ASN B 738 2.291 28.336 44.521 1.00 86.04 H new ATOM 1849 N PRO B 739 6.822 30.957 42.005 1.00 65.44 N ATOM 1850 CA PRO B 739 5.850 31.394 41.008 1.00 61.61 C ATOM 1851 C PRO B 739 5.793 30.505 39.763 1.00 55.09 C ATOM 1852 O PRO B 739 6.775 29.833 39.400 1.00 53.13 O ATOM 1853 CB PRO B 739 6.321 32.805 40.653 1.00 61.24 C ATOM 1854 CG PRO B 739 7.795 32.755 40.848 1.00 60.24 C ATOM 1855 CD PRO B 739 7.993 31.847 42.040 1.00 59.19 C ATOM 0 HA PRO B 739 4.946 31.353 41.358 1.00 61.61 H new ATOM 0 HB2 PRO B 739 6.092 33.036 39.739 1.00 61.24 H new ATOM 0 HB3 PRO B 739 5.910 33.471 41.226 1.00 61.24 H new ATOM 0 HG2 PRO B 739 8.243 32.407 40.061 1.00 60.24 H new ATOM 0 HG3 PRO B 739 8.159 33.639 41.014 1.00 60.24 H new ATOM 0 HD2 PRO B 739 8.822 31.347 41.973 1.00 59.19 H new ATOM 0 HD3 PRO B 739 8.032 32.351 42.868 1.00 59.19 H new ATOM 1856 N TRP B 740 4.603 30.483 39.173 1.00 45.23 N ATOM 1857 CA TRP B 740 4.319 29.806 37.914 1.00 38.34 C ATOM 1858 C TRP B 740 3.927 30.869 36.923 1.00 37.64 C ATOM 1859 O TRP B 740 3.067 31.739 37.231 1.00 34.89 O ATOM 1860 CB TRP B 740 3.151 28.862 38.110 1.00 39.83 C ATOM 1861 CG TRP B 740 2.781 28.134 36.874 1.00 35.10 C ATOM 1862 CD1 TRP B 740 3.448 27.081 36.310 1.00 37.47 C ATOM 1863 CD2 TRP B 740 1.654 28.388 36.058 1.00 31.37 C ATOM 1864 NE1 TRP B 740 2.816 26.688 35.168 1.00 34.38 N ATOM 1865 CE2 TRP B 740 1.702 27.465 34.988 1.00 33.29 C ATOM 1866 CE3 TRP B 740 0.603 29.334 36.106 1.00 33.25 C ATOM 1867 CZ2 TRP B 740 0.738 27.450 33.966 1.00 31.96 C ATOM 1868 CZ3 TRP B 740 -0.381 29.291 35.134 1.00 30.17 C ATOM 1869 CH2 TRP B 740 -0.300 28.345 34.071 1.00 32.46 C ATOM 0 H TRP B 740 3.915 30.876 39.507 1.00 45.23 H new ATOM 0 HA TRP B 740 5.089 29.302 37.606 1.00 38.34 H new ATOM 0 HB2 TRP B 740 3.373 28.221 38.803 1.00 39.83 H new ATOM 0 HB3 TRP B 740 2.384 29.366 38.425 1.00 39.83 H new ATOM 0 HD1 TRP B 740 4.219 26.691 36.655 1.00 37.47 H new ATOM 0 HE1 TRP B 740 3.074 26.056 34.646 1.00 34.38 H new ATOM 0 HE3 TRP B 740 0.574 29.974 36.780 1.00 33.25 H new ATOM 0 HZ2 TRP B 740 0.800 26.860 33.250 1.00 31.96 H new ATOM 0 HZ3 TRP B 740 -1.098 29.882 35.175 1.00 30.17 H new ATOM 0 HH2 TRP B 740 -0.971 28.333 33.427 1.00 32.46 H new ATOM 1870 N SER B 741 4.551 30.825 35.751 1.00 33.11 N ATOM 1871 CA SER B 741 4.206 31.676 34.642 1.00 32.23 C ATOM 1872 C SER B 741 3.619 30.788 33.554 1.00 34.65 C ATOM 1873 O SER B 741 4.163 29.701 33.247 1.00 31.20 O ATOM 1874 CB SER B 741 5.419 32.364 34.077 1.00 33.53 C ATOM 1875 OG SER B 741 5.699 33.519 34.786 1.00 40.00 O ATOM 0 H SER B 741 5.199 30.285 35.583 1.00 33.11 H new ATOM 0 HA SER B 741 3.582 32.354 34.945 1.00 32.23 H new ATOM 0 HB2 SER B 741 6.181 31.765 34.110 1.00 33.53 H new ATOM 0 HB3 SER B 741 5.269 32.580 33.143 1.00 33.53 H new ATOM 0 HG SER B 741 5.051 34.050 34.724 1.00 40.00 H new ATOM 1876 N CYS B 742 2.541 31.291 32.951 1.00 28.74 N ATOM 1877 CA CYS B 742 1.864 30.631 31.868 1.00 25.73 C ATOM 1878 C CYS B 742 2.667 30.675 30.541 1.00 24.43 C ATOM 1879 O CYS B 742 3.643 31.390 30.435 1.00 24.40 O ATOM 1880 CB CYS B 742 0.488 31.293 31.682 1.00 28.19 C ATOM 1881 SG CYS B 742 0.340 32.809 30.695 1.00 30.46 S ATOM 0 H CYS B 742 2.185 32.042 33.174 1.00 28.74 H new ATOM 0 HA CYS B 742 1.768 29.693 32.096 1.00 25.73 H new ATOM 0 HB2 CYS B 742 -0.100 30.631 31.285 1.00 28.19 H new ATOM 0 HB3 CYS B 742 0.139 31.488 32.566 1.00 28.19 H new ATOM 1882 N ILE B 743 2.091 30.081 29.496 1.00 26.79 N ATOM 1883 CA ILE B 743 2.719 29.893 28.238 1.00 25.31 C ATOM 1884 C ILE B 743 2.660 31.181 27.435 1.00 27.52 C ATOM 1885 O ILE B 743 3.608 31.491 26.694 1.00 24.64 O ATOM 1886 CB ILE B 743 2.218 28.687 27.469 1.00 24.54 C ATOM 1887 CG1 ILE B 743 3.128 28.435 26.243 1.00 25.62 C ATOM 1888 CG2 ILE B 743 0.769 28.812 26.977 1.00 24.74 C ATOM 1889 CD1 ILE B 743 2.928 27.072 25.635 1.00 27.77 C ATOM 0 H ILE B 743 1.289 29.771 29.523 1.00 26.79 H new ATOM 0 HA ILE B 743 3.650 29.681 28.409 1.00 25.31 H new ATOM 0 HB ILE B 743 2.244 27.947 28.096 1.00 24.54 H new ATOM 0 HG12 ILE B 743 2.953 29.113 25.571 1.00 25.62 H new ATOM 0 HG13 ILE B 743 4.056 28.532 26.509 1.00 25.62 H new ATOM 0 HG21 ILE B 743 0.520 28.007 26.496 1.00 24.74 H new ATOM 0 HG22 ILE B 743 0.178 28.930 27.737 1.00 24.74 H new ATOM 0 HG23 ILE B 743 0.693 29.578 26.386 1.00 24.74 H new ATOM 0 HD11 ILE B 743 3.520 26.967 24.874 1.00 27.77 H new ATOM 0 HD12 ILE B 743 3.127 26.390 26.296 1.00 27.77 H new ATOM 0 HD13 ILE B 743 2.008 26.979 25.343 1.00 27.77 H new ATOM 1890 N PHE B 744 1.621 31.991 27.605 1.00 26.57 N ATOM 1891 CA PHE B 744 1.674 33.339 26.970 1.00 24.27 C ATOM 1892 C PHE B 744 2.892 34.158 27.460 1.00 24.75 C ATOM 1893 O PHE B 744 3.567 34.802 26.688 1.00 26.74 O ATOM 1894 CB PHE B 744 0.383 34.137 27.247 1.00 27.42 C ATOM 1895 CG PHE B 744 -0.848 33.531 26.653 1.00 23.80 C ATOM 1896 CD1 PHE B 744 -1.478 32.441 27.220 1.00 24.04 C ATOM 1897 CD2 PHE B 744 -1.383 34.062 25.526 1.00 24.94 C ATOM 1898 CE1 PHE B 744 -2.607 31.862 26.619 1.00 23.33 C ATOM 1899 CE2 PHE B 744 -2.514 33.543 24.964 1.00 24.17 C ATOM 1900 CZ PHE B 744 -3.127 32.433 25.506 1.00 23.26 C ATOM 0 H PHE B 744 0.909 31.810 28.053 1.00 26.57 H new ATOM 0 HA PHE B 744 1.762 33.192 26.015 1.00 24.27 H new ATOM 0 HB2 PHE B 744 0.263 34.216 28.206 1.00 27.42 H new ATOM 0 HB3 PHE B 744 0.489 35.036 26.899 1.00 27.42 H new ATOM 0 HD1 PHE B 744 -1.149 32.084 28.013 1.00 24.04 H new ATOM 0 HD2 PHE B 744 -0.971 34.795 25.128 1.00 24.94 H new ATOM 0 HE1 PHE B 744 -2.993 31.097 26.980 1.00 23.33 H new ATOM 0 HE2 PHE B 744 -2.875 33.943 24.206 1.00 24.17 H new ATOM 0 HZ PHE B 744 -3.891 32.079 25.111 1.00 23.26 H new ATOM 1901 N CYS B 745 3.137 34.141 28.769 1.00 27.28 N ATOM 1902 CA CYS B 745 4.239 34.865 29.381 1.00 27.44 C ATOM 1903 C CYS B 745 5.598 34.292 28.953 1.00 30.34 C ATOM 1904 O CYS B 745 6.512 35.045 28.683 1.00 29.20 O ATOM 1905 CB CYS B 745 4.105 34.827 30.901 1.00 29.46 C ATOM 1906 SG CYS B 745 2.700 35.827 31.465 1.00 33.67 S ATOM 0 H CYS B 745 2.658 33.701 29.332 1.00 27.28 H new ATOM 0 HA CYS B 745 4.199 35.785 29.077 1.00 27.44 H new ATOM 0 HB2 CYS B 745 3.990 33.910 31.195 1.00 29.46 H new ATOM 0 HB3 CYS B 745 4.922 35.155 31.308 1.00 29.46 H new ATOM 1907 N ARG B 746 5.743 32.966 28.947 1.00 27.14 N ATOM 1908 CA ARG B 746 7.019 32.359 28.530 1.00 25.33 C ATOM 1909 C ARG B 746 7.343 32.611 27.087 1.00 27.01 C ATOM 1910 O ARG B 746 8.504 32.743 26.738 1.00 26.16 O ATOM 1911 CB ARG B 746 6.991 30.863 28.754 1.00 29.04 C ATOM 1912 CG ARG B 746 6.957 30.510 30.237 1.00 29.93 C ATOM 1913 CD ARG B 746 6.559 29.090 30.481 1.00 34.29 C ATOM 1914 NE ARG B 746 7.583 28.146 30.021 1.00 34.91 N ATOM 1915 CZ ARG B 746 7.456 26.817 30.015 1.00 35.07 C ATOM 1916 NH1 ARG B 746 6.315 26.224 30.413 1.00 33.06 N ATOM 1917 NH2 ARG B 746 8.498 26.074 29.594 1.00 33.64 N ATOM 0 H ARG B 746 5.131 32.406 29.175 1.00 27.14 H new ATOM 0 HA ARG B 746 7.704 32.778 29.074 1.00 25.33 H new ATOM 0 HB2 ARG B 746 6.213 30.485 28.314 1.00 29.04 H new ATOM 0 HB3 ARG B 746 7.772 30.460 28.344 1.00 29.04 H new ATOM 0 HG2 ARG B 746 7.832 30.668 30.624 1.00 29.93 H new ATOM 0 HG3 ARG B 746 6.335 31.099 30.692 1.00 29.93 H new ATOM 0 HD2 ARG B 746 6.400 28.958 31.429 1.00 34.29 H new ATOM 0 HD3 ARG B 746 5.723 28.906 30.025 1.00 34.29 H new ATOM 0 HE ARG B 746 8.324 28.474 29.732 1.00 34.91 H new ATOM 0 HH11 ARG B 746 5.651 26.703 30.677 1.00 33.06 H new ATOM 0 HH12 ARG B 746 6.250 25.367 30.403 1.00 33.06 H new ATOM 0 HH21 ARG B 746 9.224 26.458 29.337 1.00 33.64 H new ATOM 0 HH22 ARG B 746 8.437 25.216 29.582 1.00 33.64 H new ATOM 1918 N ILE B 747 6.329 32.591 26.229 1.00 27.30 N ATOM 1919 CA ILE B 747 6.520 32.902 24.833 1.00 29.01 C ATOM 1920 C ILE B 747 6.946 34.368 24.632 1.00 31.77 C ATOM 1921 O ILE B 747 7.805 34.658 23.811 1.00 28.59 O ATOM 1922 CB ILE B 747 5.251 32.627 24.020 1.00 30.69 C ATOM 1923 CG1 ILE B 747 5.027 31.112 23.875 1.00 34.09 C ATOM 1924 CG2 ILE B 747 5.303 33.278 22.631 1.00 29.78 C ATOM 1925 CD1 ILE B 747 5.976 30.414 22.904 1.00 36.43 C ATOM 0 H ILE B 747 5.519 32.397 26.444 1.00 27.30 H new ATOM 0 HA ILE B 747 7.231 32.323 24.515 1.00 29.01 H new ATOM 0 HB ILE B 747 4.509 33.022 24.505 1.00 30.69 H new ATOM 0 HG12 ILE B 747 5.117 30.700 24.748 1.00 34.09 H new ATOM 0 HG13 ILE B 747 4.115 30.959 23.582 1.00 34.09 H new ATOM 0 HG21 ILE B 747 4.484 33.081 22.150 1.00 29.78 H new ATOM 0 HG22 ILE B 747 5.398 34.239 22.727 1.00 29.78 H new ATOM 0 HG23 ILE B 747 6.060 32.927 22.137 1.00 29.78 H new ATOM 0 HD11 ILE B 747 5.768 29.467 22.872 1.00 36.43 H new ATOM 0 HD12 ILE B 747 5.873 30.797 22.019 1.00 36.43 H new ATOM 0 HD13 ILE B 747 6.891 30.533 23.203 1.00 36.43 H new ATOM 1926 N LYS B 748 6.291 35.284 25.316 1.00 32.67 N ATOM 1927 CA LYS B 748 6.622 36.687 25.216 1.00 38.90 C ATOM 1928 C LYS B 748 8.082 36.924 25.683 1.00 35.12 C ATOM 1929 O LYS B 748 8.816 37.622 25.016 1.00 30.73 O ATOM 1930 CB LYS B 748 5.663 37.495 26.061 1.00 44.64 C ATOM 1931 CG LYS B 748 5.844 38.992 25.898 1.00 54.58 C ATOM 1932 CD LYS B 748 4.824 39.763 26.717 1.00 62.53 C ATOM 1933 CE LYS B 748 5.041 39.566 28.212 1.00 68.16 C ATOM 1934 NZ LYS B 748 4.186 40.460 29.047 1.00 82.01 N ATOM 0 H LYS B 748 5.641 35.110 25.852 1.00 32.67 H new ATOM 0 HA LYS B 748 6.544 36.969 24.291 1.00 38.90 H new ATOM 0 HB2 LYS B 748 4.753 37.257 25.825 1.00 44.64 H new ATOM 0 HB3 LYS B 748 5.785 37.259 26.994 1.00 44.64 H new ATOM 0 HG2 LYS B 748 6.740 39.244 26.173 1.00 54.58 H new ATOM 0 HG3 LYS B 748 5.757 39.230 24.962 1.00 54.58 H new ATOM 0 HD2 LYS B 748 4.883 40.707 26.502 1.00 62.53 H new ATOM 0 HD3 LYS B 748 3.930 39.473 26.478 1.00 62.53 H new ATOM 0 HE2 LYS B 748 4.856 38.642 28.442 1.00 68.16 H new ATOM 0 HE3 LYS B 748 5.974 39.729 28.423 1.00 68.16 H new ATOM 0 HZ1 LYS B 748 4.349 40.307 29.908 1.00 82.01 H new ATOM 0 HZ2 LYS B 748 4.370 41.310 28.857 1.00 82.01 H new ATOM 0 HZ3 LYS B 748 3.328 40.297 28.874 1.00 82.01 H new ATOM 1935 N THR B 749 8.479 36.338 26.803 1.00 32.54 N ATOM 1936 CA THR B 749 9.886 36.366 27.231 1.00 34.86 C ATOM 1937 C THR B 749 10.880 35.998 26.115 1.00 37.47 C ATOM 1938 O THR B 749 11.817 36.729 25.841 1.00 44.69 O ATOM 1939 CB THR B 749 10.116 35.487 28.483 1.00 36.13 C ATOM 1940 OG1 THR B 749 9.401 36.037 29.592 1.00 38.08 O ATOM 1941 CG2 THR B 749 11.582 35.491 28.876 1.00 38.65 C ATOM 0 H THR B 749 7.953 35.915 27.337 1.00 32.54 H new ATOM 0 HA THR B 749 10.067 37.290 27.462 1.00 34.86 H new ATOM 0 HB THR B 749 9.818 34.589 28.271 1.00 36.13 H new ATOM 0 HG1 THR B 749 8.583 35.864 29.512 1.00 38.08 H new ATOM 0 HG21 THR B 749 11.708 34.936 29.661 1.00 38.65 H new ATOM 0 HG22 THR B 749 12.114 35.141 28.144 1.00 38.65 H new ATOM 0 HG23 THR B 749 11.862 36.399 29.074 1.00 38.65 H new ATOM 1942 N ILE B 750 10.615 34.904 25.424 1.00 36.34 N ATOM 1943 CA ILE B 750 11.384 34.472 24.278 1.00 35.31 C ATOM 1944 C ILE B 750 11.388 35.467 23.139 1.00 38.55 C ATOM 1945 O ILE B 750 12.437 35.656 22.498 1.00 37.74 O ATOM 1946 CB ILE B 750 10.898 33.090 23.743 1.00 34.27 C ATOM 1947 CG1 ILE B 750 11.178 31.997 24.782 1.00 37.54 C ATOM 1948 CG2 ILE B 750 11.511 32.757 22.392 1.00 32.82 C ATOM 1949 CD1 ILE B 750 10.531 30.670 24.436 1.00 38.31 C ATOM 0 H ILE B 750 9.963 34.377 25.616 1.00 36.34 H new ATOM 0 HA ILE B 750 12.293 34.396 24.607 1.00 35.31 H new ATOM 0 HB ILE B 750 9.940 33.139 23.602 1.00 34.27 H new ATOM 0 HG12 ILE B 750 12.137 31.872 24.862 1.00 37.54 H new ATOM 0 HG13 ILE B 750 10.857 32.292 25.648 1.00 37.54 H new ATOM 0 HG21 ILE B 750 11.186 31.893 22.093 1.00 32.82 H new ATOM 0 HG22 ILE B 750 11.261 33.437 21.747 1.00 32.82 H new ATOM 0 HG23 ILE B 750 12.477 32.728 22.473 1.00 32.82 H new ATOM 0 HD11 ILE B 750 10.740 30.019 25.124 1.00 38.31 H new ATOM 0 HD12 ILE B 750 9.569 30.783 24.380 1.00 38.31 H new ATOM 0 HD13 ILE B 750 10.869 30.358 23.582 1.00 38.31 H new ATOM 1950 N GLN B 751 10.230 36.049 22.855 1.00 38.48 N ATOM 1951 CA GLN B 751 10.078 36.998 21.752 1.00 39.64 C ATOM 1952 C GLN B 751 10.849 38.282 21.978 1.00 36.99 C ATOM 1953 O GLN B 751 11.371 38.873 21.043 1.00 42.20 O ATOM 1954 CB GLN B 751 8.594 37.309 21.468 1.00 41.20 C ATOM 1955 CG GLN B 751 7.879 36.101 20.850 1.00 45.77 C ATOM 1956 CD GLN B 751 6.351 36.263 20.627 1.00 51.12 C ATOM 1957 OE1 GLN B 751 5.638 37.014 21.329 1.00 47.20 O ATOM 1958 NE2 GLN B 751 5.845 35.515 19.648 1.00 52.90 N ATOM 0 H GLN B 751 9.506 35.906 23.296 1.00 38.48 H new ATOM 0 HA GLN B 751 10.457 36.563 20.972 1.00 39.64 H new ATOM 0 HB2 GLN B 751 8.151 37.562 22.293 1.00 41.20 H new ATOM 0 HB3 GLN B 751 8.530 38.068 20.867 1.00 41.20 H new ATOM 0 HG2 GLN B 751 8.294 35.902 19.996 1.00 45.77 H new ATOM 0 HG3 GLN B 751 8.026 35.332 21.422 1.00 45.77 H new ATOM 0 HE21 GLN B 751 6.362 35.009 19.183 1.00 52.90 H new ATOM 0 HE22 GLN B 751 5.002 35.538 19.481 1.00 52.90 H new ATOM 1959 N GLU B 752 10.925 38.696 23.227 1.00 40.12 N ATOM 1960 CA GLU B 752 11.462 39.995 23.591 1.00 42.62 C ATOM 1961 C GLU B 752 12.965 39.953 23.834 1.00 49.67 C ATOM 1962 O GLU B 752 13.548 41.023 24.119 1.00 43.97 O ATOM 1963 CB GLU B 752 10.770 40.508 24.849 1.00 46.69 C ATOM 1964 CG GLU B 752 9.351 40.916 24.540 1.00 51.75 C ATOM 1965 CD GLU B 752 8.549 41.279 25.748 1.00 63.07 C ATOM 1966 OE1 GLU B 752 8.959 40.928 26.892 1.00 63.94 O ATOM 1967 OE2 GLU B 752 7.475 41.887 25.513 1.00 76.94 O ATOM 0 H GLU B 752 10.663 38.226 23.898 1.00 40.12 H new ATOM 0 HA GLU B 752 11.296 40.591 22.844 1.00 42.62 H new ATOM 0 HB2 GLU B 752 10.773 39.818 25.531 1.00 46.69 H new ATOM 0 HB3 GLU B 752 11.259 41.265 25.209 1.00 46.69 H new ATOM 0 HG2 GLU B 752 9.366 41.673 23.933 1.00 51.75 H new ATOM 0 HG3 GLU B 752 8.908 40.189 24.075 1.00 51.75 H new ATOM 1968 N ARG B 753 13.578 38.757 23.716 1.00 47.68 N ATOM 1969 CA ARG B 753 14.964 38.559 24.063 1.00 46.95 C ATOM 1970 C ARG B 753 15.876 39.405 23.144 1.00 52.16 C ATOM 1971 O ARG B 753 16.676 40.251 23.607 1.00 44.07 O ATOM 1972 CB ARG B 753 15.337 37.089 23.981 1.00 47.21 C ATOM 1973 CG ARG B 753 16.717 36.816 24.563 1.00 50.50 C ATOM 1974 CD ARG B 753 17.002 35.337 24.723 1.00 54.14 C ATOM 1975 NE ARG B 753 16.592 34.612 23.509 1.00 53.16 N ATOM 1976 CZ ARG B 753 15.774 33.557 23.448 1.00 50.27 C ATOM 1977 NH1 ARG B 753 15.270 32.951 24.548 1.00 48.17 N ATOM 1978 NH2 ARG B 753 15.519 33.049 22.255 1.00 49.70 N ATOM 0 H ARG B 753 13.184 38.048 23.430 1.00 47.68 H new ATOM 0 HA ARG B 753 15.093 38.851 24.979 1.00 46.95 H new ATOM 0 HB2 ARG B 753 14.676 36.562 24.457 1.00 47.21 H new ATOM 0 HB3 ARG B 753 15.315 36.802 23.055 1.00 47.21 H new ATOM 0 HG2 ARG B 753 17.391 37.211 23.987 1.00 50.50 H new ATOM 0 HG3 ARG B 753 16.791 37.251 25.427 1.00 50.50 H new ATOM 0 HD2 ARG B 753 17.948 35.198 24.888 1.00 54.14 H new ATOM 0 HD3 ARG B 753 16.525 34.989 25.493 1.00 54.14 H new ATOM 0 HE ARG B 753 16.912 34.896 22.763 1.00 53.16 H new ATOM 0 HH11 ARG B 753 15.473 33.243 25.331 1.00 48.17 H new ATOM 0 HH12 ARG B 753 14.746 32.274 24.464 1.00 48.17 H new ATOM 0 HH21 ARG B 753 15.875 33.398 21.554 1.00 49.70 H new ATOM 0 HH22 ARG B 753 14.997 32.370 22.179 1.00 49.70 H new ATOM 1979 N CYS B 754 15.769 39.158 21.847 1.00 57.18 N ATOM 1980 CA CYS B 754 16.490 39.951 20.843 1.00 60.44 C ATOM 1981 C CYS B 754 15.626 39.953 19.599 1.00 64.51 C ATOM 1982 O CYS B 754 15.715 39.013 18.789 1.00 68.38 O ATOM 1983 CB CYS B 754 17.901 39.413 20.521 1.00 56.91 C ATOM 1984 SG CYS B 754 18.886 40.678 19.639 1.00 52.70 S ATOM 0 H CYS B 754 15.281 38.531 21.518 1.00 57.18 H new ATOM 0 HA CYS B 754 16.639 40.844 21.192 1.00 60.44 H new ATOM 0 HB2 CYS B 754 18.351 39.160 21.342 1.00 56.91 H new ATOM 0 HB3 CYS B 754 17.831 38.613 19.977 1.00 56.91 H new ATOM 0 HG CYS B 754 19.978 40.241 19.400 1.00 52.70 H new ATOM 1985 N PRO B 755 14.766 40.978 19.470 1.00 68.39 N ATOM 1986 CA PRO B 755 13.907 40.977 18.305 1.00 77.28 C ATOM 1987 C PRO B 755 14.705 41.117 16.985 1.00 86.47 C ATOM 1988 O PRO B 755 15.222 42.178 16.697 1.00 79.57 O ATOM 1989 CB PRO B 755 12.935 42.154 18.576 1.00 78.26 C ATOM 1990 CG PRO B 755 12.958 42.329 20.062 1.00 78.44 C ATOM 1991 CD PRO B 755 14.375 42.017 20.447 1.00 73.30 C ATOM 0 HA PRO B 755 13.433 40.140 18.180 1.00 77.28 H new ATOM 0 HB2 PRO B 755 13.223 42.961 18.121 1.00 78.26 H new ATOM 0 HB3 PRO B 755 12.041 41.953 18.258 1.00 78.26 H new ATOM 0 HG2 PRO B 755 12.712 43.232 20.316 1.00 78.44 H new ATOM 0 HG3 PRO B 755 12.332 41.731 20.499 1.00 78.44 H new ATOM 0 HD2 PRO B 755 14.944 42.800 20.385 1.00 73.30 H new ATOM 0 HD3 PRO B 755 14.436 41.693 21.359 1.00 73.30 H new ATOM 1992 N GLU B 756 14.902 39.998 16.279 1.00100.20 N ATOM 1993 CA GLU B 756 14.944 39.984 14.820 1.00103.78 C ATOM 1994 C GLU B 756 13.459 39.793 14.540 1.00124.69 C ATOM 1995 O GLU B 756 12.941 38.704 14.795 1.00137.23 O ATOM 1996 CB GLU B 756 15.761 38.802 14.284 1.00 91.97 C ATOM 0 H GLU B 756 15.015 39.225 16.638 1.00100.20 H new ATOM 0 HA GLU B 756 15.357 40.761 14.411 1.00103.78 H new ATOM 1997 N SER B 757 12.787 40.859 14.071 1.00135.00 N ATOM 1998 CA SER B 757 11.300 41.026 14.116 1.00137.90 C ATOM 1999 C SER B 757 10.469 39.883 13.469 1.00144.02 C ATOM 2000 O SER B 757 11.005 38.798 13.243 1.00165.65 O ATOM 2001 CB SER B 757 10.932 42.380 13.483 1.00133.91 C ATOM 0 H SER B 757 13.186 41.528 13.706 1.00135.00 H new ATOM 0 HA SER B 757 11.060 40.990 15.055 1.00137.90 H new ATOM 2002 N GLN B 758 9.183 40.092 13.152 1.00132.26 N ATOM 2003 CA GLN B 758 8.448 39.120 12.305 1.00120.70 C ATOM 2004 C GLN B 758 9.010 39.130 10.860 1.00119.57 C ATOM 2005 O GLN B 758 8.267 38.901 9.896 1.00103.38 O ATOM 2006 CB GLN B 758 6.941 39.395 12.308 1.00112.87 C ATOM 0 H GLN B 758 8.722 40.772 13.407 1.00132.26 H new ATOM 0 HA GLN B 758 8.580 38.236 12.683 1.00120.70 H new ATOM 2007 N SER B 759 10.347 39.268 10.761 1.00121.01 N ATOM 2008 CA SER B 759 11.088 39.785 9.597 1.00118.55 C ATOM 2009 C SER B 759 11.133 38.794 8.431 1.00114.46 C ATOM 2010 O SER B 759 11.695 39.095 7.368 1.00127.60 O ATOM 2011 CB SER B 759 12.523 40.175 10.012 1.00109.45 C ATOM 0 H SER B 759 10.870 39.050 11.408 1.00121.01 H new ATOM 0 HA SER B 759 10.609 40.568 9.285 1.00118.55 H new ATOM 2012 N GLY B 760 10.574 37.606 8.649 1.00 92.18 N ATOM 2013 CA GLY B 760 10.206 36.715 7.576 1.00 88.43 C ATOM 2014 C GLY B 760 11.087 35.498 7.681 1.00 82.13 C ATOM 2015 O GLY B 760 12.316 35.623 7.696 1.00 84.35 O ATOM 0 H GLY B 760 10.400 37.300 9.434 1.00 92.18 H new ATOM 0 HA2 GLY B 760 9.271 36.467 7.643 1.00 88.43 H new ATOM 0 HA3 GLY B 760 10.323 37.149 6.716 1.00 88.43 H new ATOM 2016 N HIS B 761 10.448 34.340 7.833 1.00 62.29 N ATOM 2017 CA HIS B 761 11.055 33.061 7.550 1.00 53.35 C ATOM 2018 C HIS B 761 10.157 32.365 6.558 1.00 53.02 C ATOM 2019 O HIS B 761 9.010 32.765 6.372 1.00 46.74 O ATOM 2020 CB HIS B 761 11.133 32.236 8.803 1.00 50.82 C ATOM 2021 CG HIS B 761 11.858 32.907 9.912 1.00 52.31 C ATOM 2022 ND1 HIS B 761 11.235 33.767 10.781 1.00 57.68 N ATOM 2023 CD2 HIS B 761 13.149 32.828 10.316 1.00 51.38 C ATOM 2024 CE1 HIS B 761 12.111 34.189 11.679 1.00 54.36 C ATOM 2025 NE2 HIS B 761 13.275 33.628 11.420 1.00 46.91 N ATOM 0 H HIS B 761 9.635 34.284 8.109 1.00 62.29 H new ATOM 0 HA HIS B 761 11.953 33.177 7.203 1.00 53.35 H new ATOM 0 HB2 HIS B 761 10.234 32.022 9.097 1.00 50.82 H new ATOM 0 HB3 HIS B 761 11.573 31.395 8.601 1.00 50.82 H new ATOM 0 HD1 HIS B 761 10.407 33.996 10.747 1.00 57.68 H new ATOM 0 HD2 HIS B 761 13.823 32.325 9.918 1.00 51.38 H new ATOM 0 HE1 HIS B 761 11.935 34.781 12.374 1.00 54.36 H new ATOM 2026 N GLN B 762 10.680 31.329 5.921 1.00 47.04 N ATOM 2027 CA GLN B 762 9.955 30.592 4.925 1.00 47.72 C ATOM 2028 C GLN B 762 9.396 29.345 5.573 1.00 47.73 C ATOM 2029 O GLN B 762 10.062 28.721 6.371 1.00 48.93 O ATOM 2030 CB GLN B 762 10.897 30.164 3.805 1.00 57.51 C ATOM 2031 CG GLN B 762 11.889 31.235 3.376 1.00 65.95 C ATOM 2032 CD GLN B 762 11.196 32.548 3.110 1.00 78.03 C ATOM 2033 OE1 GLN B 762 10.262 32.619 2.299 1.00 84.56 O ATOM 2034 NE2 GLN B 762 11.624 33.599 3.813 1.00 92.12 N ATOM 0 H GLN B 762 11.476 31.037 6.062 1.00 47.04 H new ATOM 0 HA GLN B 762 9.248 31.148 4.561 1.00 47.72 H new ATOM 0 HB2 GLN B 762 11.389 29.379 4.093 1.00 57.51 H new ATOM 0 HB3 GLN B 762 10.369 29.901 3.035 1.00 57.51 H new ATOM 0 HG2 GLN B 762 12.559 31.354 4.068 1.00 65.95 H new ATOM 0 HG3 GLN B 762 12.356 30.945 2.576 1.00 65.95 H new ATOM 0 HE21 GLN B 762 12.276 33.509 4.367 1.00 92.12 H new ATOM 0 HE22 GLN B 762 11.248 34.366 3.712 1.00 92.12 H new ATOM 2035 N GLU B 763 8.217 28.920 5.175 1.00 44.40 N ATOM 2036 CA GLU B 763 7.609 27.798 5.835 1.00 44.40 C ATOM 2037 C GLU B 763 8.505 26.547 5.776 1.00 43.54 C ATOM 2038 O GLU B 763 8.588 25.833 6.774 1.00 39.99 O ATOM 2039 CB GLU B 763 6.201 27.507 5.288 1.00 44.58 C ATOM 2040 CG GLU B 763 5.556 26.239 5.892 1.00 43.24 C ATOM 2041 CD GLU B 763 4.165 25.937 5.380 1.00 42.41 C ATOM 2042 OE1 GLU B 763 3.328 26.855 5.485 1.00 48.48 O ATOM 2043 OE2 GLU B 763 3.899 24.815 4.878 1.00 45.02 O ATOM 0 H GLU B 763 7.759 29.263 4.533 1.00 44.40 H new ATOM 0 HA GLU B 763 7.511 28.040 6.769 1.00 44.40 H new ATOM 0 HB2 GLU B 763 5.628 28.269 5.467 1.00 44.58 H new ATOM 0 HB3 GLU B 763 6.250 27.409 4.324 1.00 44.58 H new ATOM 0 HG2 GLU B 763 6.129 25.479 5.706 1.00 43.24 H new ATOM 0 HG3 GLU B 763 5.519 26.337 6.856 1.00 43.24 H new ATOM 2044 N SER B 764 9.167 26.314 4.631 1.00 38.84 N ATOM 2045 CA ASER B 764 9.995 25.113 4.415 0.71 38.44 C ATOM 2046 CA BSER B 764 10.017 25.124 4.411 0.29 38.11 C ATOM 2047 C SER B 764 11.119 25.022 5.439 1.00 35.45 C ATOM 2048 O SER B 764 11.458 23.939 5.868 1.00 40.79 O ATOM 2049 CB ASER B 764 10.609 25.117 2.982 0.71 38.51 C ATOM 2050 CB BSER B 764 10.679 25.129 3.010 0.29 37.97 C ATOM 2051 OG ASER B 764 11.311 26.338 2.785 0.71 34.75 O ATOM 2052 OG BSER B 764 9.840 24.553 2.040 0.29 36.30 O ATOM 0 H ASER B 764 9.148 26.849 3.958 0.71 38.84 H new ATOM 0 H BSER B 764 9.136 26.845 3.955 0.29 38.84 H new ATOM 0 HA ASER B 764 9.415 24.342 4.517 0.71 38.11 H new ATOM 0 HA BSER B 764 9.419 24.364 4.488 0.29 38.11 H new ATOM 0 HB2ASER B 764 11.210 24.363 2.872 0.71 37.97 H new ATOM 0 HB2BSER B 764 10.892 26.040 2.755 0.29 37.97 H new ATOM 0 HB3ASER B 764 9.909 25.021 2.317 0.71 37.97 H new ATOM 0 HB3BSER B 764 11.517 24.641 3.045 0.29 37.97 H new ATOM 0 HG ASER B 764 11.646 26.347 2.015 0.71 36.30 H new ATOM 0 HG BSER B 764 10.223 24.570 1.292 0.29 36.30 H new ATOM 2053 N GLU B 765 11.667 26.169 5.807 1.00 33.33 N ATOM 2054 CA GLU B 765 12.742 26.268 6.788 1.00 36.23 C ATOM 2055 C GLU B 765 12.195 26.002 8.198 1.00 39.71 C ATOM 2056 O GLU B 765 12.827 25.313 9.011 1.00 32.99 O ATOM 2057 CB GLU B 765 13.390 27.668 6.737 1.00 35.89 C ATOM 2058 CG GLU B 765 14.549 27.967 7.718 1.00 41.22 C ATOM 2059 CD GLU B 765 14.182 28.536 9.122 1.00 49.24 C ATOM 2060 OE1 GLU B 765 13.333 29.462 9.256 1.00 45.95 O ATOM 2061 OE2 GLU B 765 14.802 28.094 10.145 1.00 54.17 O ATOM 0 H GLU B 765 11.421 26.929 5.489 1.00 33.33 H new ATOM 0 HA GLU B 765 13.415 25.602 6.575 1.00 36.23 H new ATOM 0 HB2 GLU B 765 13.719 27.811 5.836 1.00 35.89 H new ATOM 0 HB3 GLU B 765 12.693 28.324 6.892 1.00 35.89 H new ATOM 0 HG2 GLU B 765 15.048 27.145 7.850 1.00 41.22 H new ATOM 0 HG3 GLU B 765 15.149 28.597 7.288 1.00 41.22 H new ATOM 2062 N VAL B 766 11.040 26.589 8.495 1.00 32.35 N ATOM 2063 CA VAL B 766 10.487 26.466 9.826 1.00 31.51 C ATOM 2064 C VAL B 766 10.143 24.999 10.100 1.00 24.86 C ATOM 2065 O VAL B 766 10.464 24.484 11.162 1.00 25.54 O ATOM 2066 CB VAL B 766 9.224 27.376 10.012 1.00 32.97 C ATOM 2067 CG1 VAL B 766 8.417 26.913 11.257 1.00 32.57 C ATOM 2068 CG2 VAL B 766 9.640 28.827 10.148 1.00 30.91 C ATOM 0 H VAL B 766 10.571 27.055 7.945 1.00 32.35 H new ATOM 0 HA VAL B 766 11.152 26.766 10.465 1.00 31.51 H new ATOM 0 HB VAL B 766 8.656 27.296 9.230 1.00 32.97 H new ATOM 0 HG11 VAL B 766 7.637 27.480 11.367 1.00 32.57 H new ATOM 0 HG12 VAL B 766 8.133 25.993 11.135 1.00 32.57 H new ATOM 0 HG13 VAL B 766 8.976 26.977 12.047 1.00 32.57 H new ATOM 0 HG21 VAL B 766 8.852 29.380 10.262 1.00 30.91 H new ATOM 0 HG22 VAL B 766 10.219 28.927 10.920 1.00 30.91 H new ATOM 0 HG23 VAL B 766 10.116 29.104 9.349 1.00 30.91 H new ATOM 2069 N LEU B 767 9.497 24.354 9.136 1.00 25.25 N ATOM 2070 CA LEU B 767 9.155 22.947 9.233 1.00 29.07 C ATOM 2071 C LEU B 767 10.325 21.969 9.471 1.00 28.44 C ATOM 2072 O LEU B 767 10.141 20.885 10.101 1.00 24.35 O ATOM 2073 CB LEU B 767 8.375 22.458 8.021 1.00 30.64 C ATOM 2074 CG LEU B 767 6.988 23.069 7.728 1.00 31.39 C ATOM 2075 CD1 LEU B 767 6.453 22.462 6.459 1.00 30.01 C ATOM 2076 CD2 LEU B 767 6.000 22.863 8.880 1.00 32.92 C ATOM 0 H LEU B 767 9.244 24.726 8.403 1.00 25.25 H new ATOM 0 HA LEU B 767 8.610 22.931 10.035 1.00 29.07 H new ATOM 0 HB2 LEU B 767 8.930 22.602 7.238 1.00 30.64 H new ATOM 0 HB3 LEU B 767 8.259 21.500 8.114 1.00 30.64 H new ATOM 0 HG LEU B 767 7.093 24.028 7.627 1.00 31.39 H new ATOM 0 HD11 LEU B 767 5.581 22.838 6.263 1.00 30.01 H new ATOM 0 HD12 LEU B 767 7.060 22.655 5.727 1.00 30.01 H new ATOM 0 HD13 LEU B 767 6.374 21.501 6.568 1.00 30.01 H new ATOM 0 HD21 LEU B 767 5.147 23.262 8.650 1.00 32.92 H new ATOM 0 HD22 LEU B 767 5.880 21.913 9.038 1.00 32.92 H new ATOM 0 HD23 LEU B 767 6.347 23.282 9.683 1.00 32.92 H new ATOM 2077 N MET B 768 11.516 22.365 9.047 1.00 30.99 N ATOM 2078 CA MET B 768 12.732 21.520 9.230 1.00 34.18 C ATOM 2079 C MET B 768 13.412 21.751 10.592 1.00 31.79 C ATOM 2080 O MET B 768 14.347 21.021 10.935 1.00 30.93 O ATOM 2081 CB MET B 768 13.712 21.761 8.039 1.00 38.26 C ATOM 2082 CG MET B 768 13.296 21.059 6.751 1.00 42.25 C ATOM 2083 SD MET B 768 12.902 19.289 7.057 1.00 60.54 S ATOM 2084 CE MET B 768 14.518 18.640 7.568 1.00 54.78 C ATOM 0 H MET B 768 11.660 23.114 8.650 1.00 30.99 H new ATOM 0 HA MET B 768 12.460 20.589 9.231 1.00 34.18 H new ATOM 0 HB2 MET B 768 13.777 22.714 7.872 1.00 38.26 H new ATOM 0 HB3 MET B 768 14.597 21.456 8.292 1.00 38.26 H new ATOM 0 HG2 MET B 768 12.522 21.505 6.372 1.00 42.25 H new ATOM 0 HG3 MET B 768 14.010 21.126 6.098 1.00 42.25 H new ATOM 0 HE1 MET B 768 14.392 17.944 8.232 1.00 54.78 H new ATOM 0 HE2 MET B 768 14.978 18.272 6.797 1.00 54.78 H new ATOM 0 HE3 MET B 768 15.049 19.357 7.949 1.00 54.78 H new ATOM 2085 N ARG B 769 12.956 22.748 11.364 1.00 26.96 N ATOM 2086 CA ARG B 769 13.503 22.957 12.698 1.00 29.75 C ATOM 2087 C ARG B 769 13.286 21.771 13.607 1.00 31.47 C ATOM 2088 O ARG B 769 12.198 21.143 13.616 1.00 27.71 O ATOM 2089 CB ARG B 769 12.925 24.191 13.365 1.00 34.63 C ATOM 2090 CG ARG B 769 13.312 25.456 12.612 1.00 38.47 C ATOM 2091 CD ARG B 769 12.957 26.671 13.404 1.00 40.85 C ATOM 2092 NE ARG B 769 12.983 27.830 12.537 1.00 48.94 N ATOM 2093 CZ ARG B 769 12.493 29.025 12.847 1.00 53.25 C ATOM 2094 NH1 ARG B 769 11.893 29.236 14.028 1.00 56.82 N ATOM 2095 NH2 ARG B 769 12.587 30.019 11.953 1.00 48.95 N ATOM 0 H ARG B 769 12.340 23.302 11.133 1.00 26.96 H new ATOM 0 HA ARG B 769 14.456 23.079 12.565 1.00 29.75 H new ATOM 0 HB2 ARG B 769 11.959 24.118 13.404 1.00 34.63 H new ATOM 0 HB3 ARG B 769 13.243 24.246 14.280 1.00 34.63 H new ATOM 0 HG2 ARG B 769 14.265 25.450 12.429 1.00 38.47 H new ATOM 0 HG3 ARG B 769 12.859 25.479 11.755 1.00 38.47 H new ATOM 0 HD2 ARG B 769 12.076 26.568 13.797 1.00 40.85 H new ATOM 0 HD3 ARG B 769 13.583 26.787 14.136 1.00 40.85 H new ATOM 0 HE ARG B 769 13.343 27.738 11.762 1.00 48.94 H new ATOM 0 HH11 ARG B 769 11.822 28.593 14.595 1.00 56.82 H new ATOM 0 HH12 ARG B 769 11.579 30.014 14.218 1.00 56.82 H new ATOM 0 HH21 ARG B 769 12.960 29.878 11.191 1.00 48.95 H new ATOM 0 HH22 ARG B 769 12.274 30.798 12.141 1.00 48.95 H new ATOM 2096 N GLN B 770 14.327 21.466 14.371 1.00 27.91 N ATOM 2097 CA GLN B 770 14.275 20.327 15.273 1.00 27.96 C ATOM 2098 C GLN B 770 13.512 20.773 16.491 1.00 26.30 C ATOM 2099 O GLN B 770 13.565 21.942 16.885 1.00 21.85 O ATOM 2100 CB GLN B 770 15.705 19.823 15.636 1.00 29.95 C ATOM 2101 CG GLN B 770 16.376 19.125 14.452 1.00 34.63 C ATOM 2102 CD GLN B 770 17.725 18.531 14.796 1.00 38.48 C ATOM 2103 OE1 GLN B 770 18.075 18.405 15.943 1.00 39.21 O ATOM 2104 NE2 GLN B 770 18.481 18.176 13.787 1.00 44.25 N ATOM 0 H GLN B 770 15.068 21.903 14.382 1.00 27.91 H new ATOM 0 HA GLN B 770 13.831 19.574 14.853 1.00 27.96 H new ATOM 0 HB2 GLN B 770 16.250 20.573 15.921 1.00 29.95 H new ATOM 0 HB3 GLN B 770 15.652 19.210 16.386 1.00 29.95 H new ATOM 0 HG2 GLN B 770 15.793 18.422 14.126 1.00 34.63 H new ATOM 0 HG3 GLN B 770 16.485 19.761 13.728 1.00 34.63 H new ATOM 0 HE21 GLN B 770 18.199 18.280 12.981 1.00 44.25 H new ATOM 0 HE22 GLN B 770 19.259 17.839 13.930 1.00 44.25 H new ATOM 2105 N MET B 771 12.848 19.819 17.148 1.00 26.34 N ATOM 2106 CA MET B 771 12.095 20.132 18.345 1.00 24.74 C ATOM 2107 C MET B 771 12.906 20.323 19.612 1.00 23.79 C ATOM 2108 O MET B 771 12.661 19.670 20.684 1.00 23.68 O ATOM 2109 CB MET B 771 10.971 19.145 18.530 1.00 25.57 C ATOM 2110 CG MET B 771 9.955 19.235 17.402 1.00 29.69 C ATOM 2111 SD MET B 771 8.734 20.599 17.616 1.00 27.95 S ATOM 2112 CE MET B 771 7.505 19.707 18.559 1.00 24.87 C ATOM 0 H MET B 771 12.826 18.992 16.913 1.00 26.34 H new ATOM 0 HA MET B 771 11.728 21.016 18.189 1.00 24.74 H new ATOM 0 HB2 MET B 771 11.332 18.246 18.570 1.00 25.57 H new ATOM 0 HB3 MET B 771 10.530 19.311 19.378 1.00 25.57 H new ATOM 0 HG2 MET B 771 10.425 19.360 16.563 1.00 29.69 H new ATOM 0 HG3 MET B 771 9.479 18.392 17.337 1.00 29.69 H new ATOM 0 HE1 MET B 771 6.879 20.336 18.952 1.00 24.87 H new ATOM 0 HE2 MET B 771 7.027 19.098 17.974 1.00 24.87 H new ATOM 0 HE3 MET B 771 7.941 19.202 19.263 1.00 24.87 H new ATOM 2113 N LEU B 772 13.765 21.339 19.552 1.00 24.17 N ATOM 2114 CA LEU B 772 14.478 21.814 20.710 1.00 23.19 C ATOM 2115 C LEU B 772 13.449 22.465 21.676 1.00 23.77 C ATOM 2116 O LEU B 772 12.319 22.745 21.294 1.00 22.65 O ATOM 2117 CB LEU B 772 15.557 22.813 20.290 1.00 28.70 C ATOM 2118 CG LEU B 772 16.680 22.256 19.371 1.00 33.46 C ATOM 2119 CD1 LEU B 772 17.506 23.392 18.836 1.00 32.28 C ATOM 2120 CD2 LEU B 772 17.541 21.239 20.135 1.00 31.46 C ATOM 0 H LEU B 772 13.945 21.768 18.829 1.00 24.17 H new ATOM 0 HA LEU B 772 14.924 21.081 21.162 1.00 23.19 H new ATOM 0 HB2 LEU B 772 15.127 23.553 19.834 1.00 28.70 H new ATOM 0 HB3 LEU B 772 15.968 23.174 21.091 1.00 28.70 H new ATOM 0 HG LEU B 772 16.282 21.792 18.618 1.00 33.46 H new ATOM 0 HD11 LEU B 772 18.206 23.042 18.263 1.00 32.28 H new ATOM 0 HD12 LEU B 772 16.940 23.991 18.325 1.00 32.28 H new ATOM 0 HD13 LEU B 772 17.906 23.877 19.574 1.00 32.28 H new ATOM 0 HD21 LEU B 772 18.237 20.900 19.550 1.00 31.46 H new ATOM 0 HD22 LEU B 772 17.947 21.670 20.903 1.00 31.46 H new ATOM 0 HD23 LEU B 772 16.984 20.503 20.434 1.00 31.46 H new ATOM 2121 N PRO B 773 13.803 22.637 22.931 1.00 22.52 N ATOM 2122 CA PRO B 773 12.847 23.150 23.940 1.00 23.81 C ATOM 2123 C PRO B 773 12.021 24.392 23.516 1.00 26.83 C ATOM 2124 O PRO B 773 10.844 24.420 23.789 1.00 23.05 O ATOM 2125 CB PRO B 773 13.748 23.459 25.134 1.00 23.18 C ATOM 2126 CG PRO B 773 14.842 22.417 25.004 1.00 22.72 C ATOM 2127 CD PRO B 773 15.090 22.230 23.543 1.00 23.37 C ATOM 0 HA PRO B 773 12.150 22.498 24.111 1.00 23.81 H new ATOM 0 HB2 PRO B 773 14.103 24.361 25.094 1.00 23.18 H new ATOM 0 HB3 PRO B 773 13.272 23.379 25.975 1.00 23.18 H new ATOM 0 HG2 PRO B 773 15.650 22.708 25.455 1.00 22.72 H new ATOM 0 HG3 PRO B 773 14.572 21.582 25.417 1.00 22.72 H new ATOM 0 HD2 PRO B 773 15.826 22.779 23.231 1.00 23.37 H new ATOM 0 HD3 PRO B 773 15.313 21.310 23.332 1.00 23.37 H new ATOM 2128 N GLU B 774 12.626 25.372 22.823 1.00 28.33 N ATOM 2129 CA GLU B 774 11.873 26.566 22.430 1.00 31.16 C ATOM 2130 C GLU B 774 10.895 26.253 21.322 1.00 27.53 C ATOM 2131 O GLU B 774 9.780 26.821 21.310 1.00 24.92 O ATOM 2132 CB GLU B 774 12.779 27.765 22.092 1.00 33.09 C ATOM 2133 CG GLU B 774 13.346 28.406 23.363 1.00 38.92 C ATOM 2134 CD GLU B 774 14.107 29.733 23.135 1.00 43.16 C ATOM 2135 OE1 GLU B 774 14.242 30.222 21.977 1.00 40.48 O ATOM 2136 OE2 GLU B 774 14.590 30.274 24.149 1.00 43.05 O ATOM 0 H GLU B 774 13.450 25.363 22.578 1.00 28.33 H new ATOM 0 HA GLU B 774 11.359 26.842 23.205 1.00 31.16 H new ATOM 0 HB2 GLU B 774 13.507 27.473 21.521 1.00 33.09 H new ATOM 0 HB3 GLU B 774 12.274 28.425 21.592 1.00 33.09 H new ATOM 0 HG2 GLU B 774 12.617 28.568 23.982 1.00 38.92 H new ATOM 0 HG3 GLU B 774 13.945 27.773 23.790 1.00 38.92 H new ATOM 2137 N GLU B 775 11.253 25.362 20.404 1.00 25.50 N ATOM 2138 CA GLU B 775 10.347 25.001 19.345 1.00 27.10 C ATOM 2139 C GLU B 775 9.221 24.124 19.882 1.00 23.53 C ATOM 2140 O GLU B 775 8.077 24.234 19.448 1.00 22.54 O ATOM 2141 CB GLU B 775 11.018 24.365 18.098 1.00 31.84 C ATOM 2142 CG GLU B 775 12.281 25.052 17.578 1.00 42.90 C ATOM 2143 CD GLU B 775 12.134 26.517 17.179 1.00 55.53 C ATOM 2144 OE1 GLU B 775 11.154 26.907 16.488 1.00 57.46 O ATOM 2145 OE2 GLU B 775 13.054 27.287 17.520 1.00 60.08 O ATOM 0 H GLU B 775 12.014 24.961 20.383 1.00 25.50 H new ATOM 0 HA GLU B 775 9.979 25.838 19.021 1.00 27.10 H new ATOM 0 HB2 GLU B 775 11.238 23.444 18.308 1.00 31.84 H new ATOM 0 HB3 GLU B 775 10.366 24.344 17.380 1.00 31.84 H new ATOM 0 HG2 GLU B 775 12.966 24.989 18.262 1.00 42.90 H new ATOM 0 HG3 GLU B 775 12.603 24.557 16.808 1.00 42.90 H new ATOM 2146 N GLN B 776 9.528 23.264 20.845 1.00 22.10 N ATOM 2147 CA GLN B 776 8.532 22.410 21.494 1.00 21.53 C ATOM 2148 C GLN B 776 7.488 23.346 22.162 1.00 23.28 C ATOM 2149 O GLN B 776 6.303 23.141 22.026 1.00 20.38 O ATOM 2150 CB GLN B 776 9.274 21.470 22.471 1.00 24.43 C ATOM 2151 CG GLN B 776 8.447 20.632 23.422 1.00 24.30 C ATOM 2152 CD GLN B 776 7.826 19.427 22.813 1.00 24.48 C ATOM 2153 OE1 GLN B 776 8.341 18.811 21.865 1.00 25.56 O ATOM 2154 NE2 GLN B 776 6.711 19.049 23.382 1.00 22.78 N ATOM 0 H GLN B 776 10.327 23.156 21.145 1.00 22.10 H new ATOM 0 HA GLN B 776 8.047 21.837 20.880 1.00 21.53 H new ATOM 0 HB2 GLN B 776 9.822 20.867 21.944 1.00 24.43 H new ATOM 0 HB3 GLN B 776 9.879 22.012 23.002 1.00 24.43 H new ATOM 0 HG2 GLN B 776 9.011 20.352 24.160 1.00 24.30 H new ATOM 0 HG3 GLN B 776 7.745 21.188 23.796 1.00 24.30 H new ATOM 0 HE21 GLN B 776 6.387 19.503 24.036 1.00 22.78 H new ATOM 0 HE22 GLN B 776 6.302 18.346 23.102 1.00 22.78 H new ATOM 2155 N LEU B 777 7.953 24.387 22.863 1.00 23.86 N ATOM 2156 CA LEU B 777 7.043 25.353 23.521 1.00 25.29 C ATOM 2157 C LEU B 777 6.189 26.101 22.484 1.00 27.12 C ATOM 2158 O LEU B 777 4.970 26.247 22.662 1.00 25.38 O ATOM 2159 CB LEU B 777 7.796 26.339 24.373 1.00 25.43 C ATOM 2160 CG LEU B 777 6.962 27.163 25.354 1.00 28.59 C ATOM 2161 CD1 LEU B 777 6.513 26.330 26.553 1.00 30.83 C ATOM 2162 CD2 LEU B 777 7.753 28.357 25.880 1.00 29.68 C ATOM 0 H LEU B 777 8.789 24.556 22.973 1.00 23.86 H new ATOM 0 HA LEU B 777 6.457 24.840 24.100 1.00 25.29 H new ATOM 0 HB2 LEU B 777 8.468 25.854 24.877 1.00 25.43 H new ATOM 0 HB3 LEU B 777 8.268 26.951 23.786 1.00 25.43 H new ATOM 0 HG LEU B 777 6.184 27.468 24.861 1.00 28.59 H new ATOM 0 HD11 LEU B 777 5.988 26.883 27.153 1.00 30.83 H new ATOM 0 HD12 LEU B 777 5.974 25.585 26.246 1.00 30.83 H new ATOM 0 HD13 LEU B 777 7.292 25.993 27.023 1.00 30.83 H new ATOM 0 HD21 LEU B 777 7.203 28.862 26.499 1.00 29.68 H new ATOM 0 HD22 LEU B 777 8.548 28.042 26.338 1.00 29.68 H new ATOM 0 HD23 LEU B 777 8.011 28.926 25.138 1.00 29.68 H new ATOM 2163 N LYS B 778 6.795 26.469 21.360 1.00 24.28 N ATOM 2164 CA LYS B 778 6.034 27.170 20.365 1.00 23.69 C ATOM 2165 C LYS B 778 4.952 26.333 19.769 1.00 22.61 C ATOM 2166 O LYS B 778 3.866 26.868 19.489 1.00 24.13 O ATOM 2167 CB LYS B 778 6.936 27.747 19.290 1.00 26.52 C ATOM 2168 CG LYS B 778 7.696 28.948 19.776 1.00 28.39 C ATOM 2169 CD LYS B 778 8.725 29.402 18.710 1.00 33.94 C ATOM 2170 CE LYS B 778 9.301 30.731 19.109 1.00 41.48 C ATOM 2171 NZ LYS B 778 10.483 31.036 18.262 1.00 53.27 N ATOM 0 H LYS B 778 7.620 26.324 21.167 1.00 24.28 H new ATOM 0 HA LYS B 778 5.595 27.905 20.821 1.00 23.69 H new ATOM 0 HB2 LYS B 778 7.562 27.067 18.995 1.00 26.52 H new ATOM 0 HB3 LYS B 778 6.402 27.994 18.519 1.00 26.52 H new ATOM 0 HG2 LYS B 778 7.080 29.672 19.969 1.00 28.39 H new ATOM 0 HG3 LYS B 778 8.152 28.736 20.605 1.00 28.39 H new ATOM 0 HD2 LYS B 778 9.432 28.743 18.627 1.00 33.94 H new ATOM 0 HD3 LYS B 778 8.298 29.471 17.842 1.00 33.94 H new ATOM 0 HE2 LYS B 778 8.632 31.427 19.010 1.00 41.48 H new ATOM 0 HE3 LYS B 778 9.557 30.715 20.044 1.00 41.48 H new ATOM 0 HZ1 LYS B 778 10.823 31.823 18.499 1.00 53.27 H new ATOM 0 HZ2 LYS B 778 11.098 30.402 18.371 1.00 53.27 H new ATOM 0 HZ3 LYS B 778 10.236 31.065 17.407 1.00 53.27 H new ATOM 2172 N CYS B 779 5.196 25.041 19.554 1.00 20.74 N ATOM 2173 CA CYS B 779 4.143 24.169 19.065 1.00 19.85 C ATOM 2174 C CYS B 779 3.045 23.936 20.109 1.00 19.85 C ATOM 2175 O CYS B 779 1.877 23.800 19.769 1.00 18.06 O ATOM 2176 CB CYS B 779 4.711 22.800 18.632 1.00 24.62 C ATOM 2177 SG CYS B 779 5.793 22.913 17.162 1.00 27.43 S ATOM 0 H CYS B 779 5.955 24.658 19.684 1.00 20.74 H new ATOM 0 HA CYS B 779 3.753 24.623 18.301 1.00 19.85 H new ATOM 0 HB2 CYS B 779 5.212 22.415 19.368 1.00 24.62 H new ATOM 0 HB3 CYS B 779 3.977 22.195 18.442 1.00 24.62 H new ATOM 0 HG CYS B 779 6.733 22.180 17.299 1.00 27.43 H new ATOM 2178 N GLU B 780 3.451 23.820 21.364 1.00 19.07 N ATOM 2179 CA GLU B 780 2.522 23.756 22.480 1.00 20.24 C ATOM 2180 C GLU B 780 1.551 24.960 22.525 1.00 20.57 C ATOM 2181 O GLU B 780 0.338 24.786 22.695 1.00 17.84 O ATOM 2182 CB GLU B 780 3.268 23.595 23.805 1.00 21.61 C ATOM 2183 CG GLU B 780 3.746 22.161 24.026 1.00 23.81 C ATOM 2184 CD GLU B 780 4.888 21.980 25.044 1.00 30.41 C ATOM 2185 OE1 GLU B 780 5.367 23.038 25.540 1.00 27.84 O ATOM 2186 OE2 GLU B 780 5.305 20.773 25.326 1.00 28.56 O ATOM 0 H GLU B 780 4.279 23.776 21.594 1.00 19.07 H new ATOM 0 HA GLU B 780 1.973 22.969 22.340 1.00 20.24 H new ATOM 0 HB2 GLU B 780 4.030 24.195 23.820 1.00 21.61 H new ATOM 0 HB3 GLU B 780 2.687 23.857 24.536 1.00 21.61 H new ATOM 0 HG2 GLU B 780 2.990 21.628 24.317 1.00 23.81 H new ATOM 0 HG3 GLU B 780 4.036 21.800 23.174 1.00 23.81 H new ATOM 2187 N PHE B 781 2.111 26.138 22.275 1.00 20.33 N ATOM 2188 CA PHE B 781 1.359 27.336 22.301 1.00 23.68 C ATOM 2189 C PHE B 781 0.438 27.392 21.146 1.00 23.91 C ATOM 2190 O PHE B 781 -0.777 27.761 21.273 1.00 21.30 O ATOM 2191 CB PHE B 781 2.300 28.502 22.329 1.00 24.62 C ATOM 2192 CG PHE B 781 1.626 29.828 22.416 1.00 25.27 C ATOM 2193 CD1 PHE B 781 0.707 30.080 23.444 1.00 26.31 C ATOM 2194 CD2 PHE B 781 2.012 30.879 21.544 1.00 27.64 C ATOM 2195 CE1 PHE B 781 0.082 31.355 23.578 1.00 27.72 C ATOM 2196 CE2 PHE B 781 1.432 32.145 21.684 1.00 31.25 C ATOM 2197 CZ PHE B 781 0.455 32.378 22.700 1.00 30.79 C ATOM 0 H PHE B 781 2.943 26.244 22.087 1.00 20.33 H new ATOM 0 HA PHE B 781 0.810 27.368 23.100 1.00 23.68 H new ATOM 0 HB2 PHE B 781 2.898 28.404 23.086 1.00 24.62 H new ATOM 0 HB3 PHE B 781 2.849 28.481 21.530 1.00 24.62 H new ATOM 0 HD1 PHE B 781 0.501 29.404 24.049 1.00 26.31 H new ATOM 0 HD2 PHE B 781 2.648 30.727 20.882 1.00 27.64 H new ATOM 0 HE1 PHE B 781 -0.560 31.503 24.235 1.00 27.72 H new ATOM 0 HE2 PHE B 781 1.683 32.836 21.114 1.00 31.25 H new ATOM 0 HZ PHE B 781 0.063 33.218 22.778 1.00 30.79 H new ATOM 2198 N LEU B 782 0.973 27.005 19.986 1.00 22.03 N ATOM 2199 CA LEU B 782 0.131 26.908 18.807 1.00 21.98 C ATOM 2200 C LEU B 782 -1.029 25.971 19.009 1.00 21.98 C ATOM 2201 O LEU B 782 -2.174 26.266 18.626 1.00 21.50 O ATOM 2202 CB LEU B 782 0.982 26.499 17.598 1.00 26.03 C ATOM 2203 CG LEU B 782 0.378 26.317 16.266 1.00 27.92 C ATOM 2204 CD1 LEU B 782 -0.648 27.391 15.886 1.00 29.94 C ATOM 2205 CD2 LEU B 782 1.592 26.259 15.314 1.00 28.29 C ATOM 0 H LEU B 782 1.800 26.800 19.867 1.00 22.03 H new ATOM 0 HA LEU B 782 -0.255 27.782 18.639 1.00 21.98 H new ATOM 0 HB2 LEU B 782 1.680 27.166 17.504 1.00 26.03 H new ATOM 0 HB3 LEU B 782 1.418 25.663 17.828 1.00 26.03 H new ATOM 0 HG LEU B 782 -0.161 25.512 16.226 1.00 27.92 H new ATOM 0 HD11 LEU B 782 -0.999 27.205 15.001 1.00 29.94 H new ATOM 0 HD12 LEU B 782 -1.374 27.387 16.529 1.00 29.94 H new ATOM 0 HD13 LEU B 782 -0.221 28.262 15.887 1.00 29.94 H new ATOM 0 HD21 LEU B 782 1.283 26.139 14.402 1.00 28.29 H new ATOM 0 HD22 LEU B 782 2.094 27.087 15.379 1.00 28.29 H new ATOM 0 HD23 LEU B 782 2.163 25.515 15.562 1.00 28.29 H new ATOM 2206 N LEU B 783 -0.768 24.811 19.555 1.00 19.79 N ATOM 2207 CA LEU B 783 -1.893 23.872 19.805 1.00 20.14 C ATOM 2208 C LEU B 783 -2.954 24.493 20.794 1.00 18.56 C ATOM 2209 O LEU B 783 -4.151 24.310 20.641 1.00 18.62 O ATOM 2210 CB LEU B 783 -1.365 22.539 20.388 1.00 17.80 C ATOM 2211 CG LEU B 783 -2.408 21.473 20.714 1.00 19.81 C ATOM 2212 CD1 LEU B 783 -3.192 21.045 19.487 1.00 19.81 C ATOM 2213 CD2 LEU B 783 -1.684 20.272 21.265 1.00 20.43 C ATOM 0 H LEU B 783 0.012 24.533 19.789 1.00 19.79 H new ATOM 0 HA LEU B 783 -2.327 23.705 18.954 1.00 20.14 H new ATOM 0 HB2 LEU B 783 -0.733 22.161 19.756 1.00 17.80 H new ATOM 0 HB3 LEU B 783 -0.871 22.738 21.199 1.00 17.80 H new ATOM 0 HG LEU B 783 -3.037 21.843 21.352 1.00 19.81 H new ATOM 0 HD11 LEU B 783 -3.841 20.369 19.737 1.00 19.81 H new ATOM 0 HD12 LEU B 783 -3.652 21.812 19.113 1.00 19.81 H new ATOM 0 HD13 LEU B 783 -2.584 20.679 18.826 1.00 19.81 H new ATOM 0 HD21 LEU B 783 -2.326 19.578 21.481 1.00 20.43 H new ATOM 0 HD22 LEU B 783 -1.059 19.939 20.603 1.00 20.43 H new ATOM 0 HD23 LEU B 783 -1.200 20.525 22.067 1.00 20.43 H new ATOM 2214 N LEU B 784 -2.464 25.106 21.855 1.00 20.91 N ATOM 2215 CA LEU B 784 -3.353 25.827 22.842 1.00 20.64 C ATOM 2216 C LEU B 784 -4.165 26.913 22.171 1.00 20.86 C ATOM 2217 O LEU B 784 -5.336 27.008 22.426 1.00 21.71 O ATOM 2218 CB LEU B 784 -2.572 26.415 23.961 1.00 20.76 C ATOM 2219 CG LEU B 784 -3.377 27.155 25.076 1.00 23.18 C ATOM 2220 CD1 LEU B 784 -2.743 26.887 26.424 1.00 25.78 C ATOM 2221 CD2 LEU B 784 -3.413 28.663 24.865 1.00 24.74 C ATOM 0 H LEU B 784 -1.626 25.133 22.048 1.00 20.91 H new ATOM 0 HA LEU B 784 -3.958 25.160 23.202 1.00 20.64 H new ATOM 0 HB2 LEU B 784 -2.062 25.704 24.379 1.00 20.76 H new ATOM 0 HB3 LEU B 784 -1.932 27.040 23.586 1.00 20.76 H new ATOM 0 HG LEU B 784 -4.285 26.817 25.038 1.00 23.18 H new ATOM 0 HD11 LEU B 784 -3.244 27.347 27.115 1.00 25.78 H new ATOM 0 HD12 LEU B 784 -2.750 25.933 26.601 1.00 25.78 H new ATOM 0 HD13 LEU B 784 -1.828 27.208 26.421 1.00 25.78 H new ATOM 0 HD21 LEU B 784 -3.922 29.078 25.579 1.00 24.74 H new ATOM 0 HD22 LEU B 784 -2.508 29.012 24.868 1.00 24.74 H new ATOM 0 HD23 LEU B 784 -3.832 28.861 24.013 1.00 24.74 H new ATOM 2222 N LYS B 785 -3.605 27.630 21.207 1.00 23.32 N ATOM 2223 CA LYS B 785 -4.406 28.600 20.386 1.00 22.66 C ATOM 2224 C LYS B 785 -5.555 28.030 19.628 1.00 24.06 C ATOM 2225 O LYS B 785 -6.627 28.618 19.608 1.00 24.78 O ATOM 2226 CB LYS B 785 -3.559 29.507 19.503 1.00 23.35 C ATOM 2227 CG LYS B 785 -2.565 30.398 20.242 1.00 26.66 C ATOM 2228 CD LYS B 785 -3.064 31.386 21.255 1.00 30.84 C ATOM 2229 CE LYS B 785 -4.062 32.339 20.714 1.00 33.76 C ATOM 2230 NZ LYS B 785 -3.462 33.378 19.868 1.00 45.53 N ATOM 0 H LYS B 785 -2.772 27.587 20.996 1.00 23.32 H new ATOM 0 HA LYS B 785 -4.810 29.150 21.075 1.00 22.66 H new ATOM 0 HB2 LYS B 785 -3.069 28.955 18.874 1.00 23.35 H new ATOM 0 HB3 LYS B 785 -4.152 30.072 18.983 1.00 23.35 H new ATOM 0 HG2 LYS B 785 -1.933 29.816 20.692 1.00 26.66 H new ATOM 0 HG3 LYS B 785 -2.068 30.894 19.573 1.00 26.66 H new ATOM 0 HD2 LYS B 785 -3.458 30.904 21.999 1.00 30.84 H new ATOM 0 HD3 LYS B 785 -2.310 31.884 21.608 1.00 30.84 H new ATOM 0 HE2 LYS B 785 -4.722 31.850 20.198 1.00 33.76 H new ATOM 0 HE3 LYS B 785 -4.532 32.760 21.450 1.00 33.76 H new ATOM 0 HZ1 LYS B 785 -4.036 34.051 19.772 1.00 45.53 H new ATOM 0 HZ2 LYS B 785 -2.716 33.678 20.250 1.00 45.53 H new ATOM 0 HZ3 LYS B 785 -3.270 33.036 19.069 1.00 45.53 H new ATOM 2231 N VAL B 786 -5.395 26.839 19.080 1.00 24.12 N ATOM 2232 CA VAL B 786 -6.479 26.139 18.456 1.00 22.38 C ATOM 2233 C VAL B 786 -7.569 25.737 19.478 1.00 23.68 C ATOM 2234 O VAL B 786 -8.777 25.934 19.255 1.00 22.66 O ATOM 2235 CB VAL B 786 -5.988 24.895 17.692 1.00 22.84 C ATOM 2236 CG1 VAL B 786 -7.153 24.109 17.134 1.00 24.26 C ATOM 2237 CG2 VAL B 786 -5.017 25.312 16.587 1.00 24.04 C ATOM 0 H VAL B 786 -4.646 26.417 19.063 1.00 24.12 H new ATOM 0 HA VAL B 786 -6.873 26.755 17.818 1.00 22.38 H new ATOM 0 HB VAL B 786 -5.517 24.314 18.310 1.00 22.84 H new ATOM 0 HG11 VAL B 786 -6.821 23.332 16.658 1.00 24.26 H new ATOM 0 HG12 VAL B 786 -7.727 23.821 17.861 1.00 24.26 H new ATOM 0 HG13 VAL B 786 -7.659 24.669 16.525 1.00 24.26 H new ATOM 0 HG21 VAL B 786 -4.712 24.524 16.110 1.00 24.04 H new ATOM 0 HG22 VAL B 786 -5.467 25.910 15.969 1.00 24.04 H new ATOM 0 HG23 VAL B 786 -4.256 25.767 16.980 1.00 24.04 H new ATOM 2238 N TYR B 787 -7.151 25.126 20.572 1.00 21.13 N ATOM 2239 CA TYR B 787 -8.113 24.753 21.658 1.00 21.14 C ATOM 2240 C TYR B 787 -8.889 25.962 22.231 1.00 21.84 C ATOM 2241 O TYR B 787 -10.041 25.770 22.690 1.00 27.23 O ATOM 2242 CB TYR B 787 -7.401 24.032 22.815 1.00 20.80 C ATOM 2243 CG TYR B 787 -7.154 22.544 22.683 1.00 21.00 C ATOM 2244 CD1 TYR B 787 -8.121 21.643 22.963 1.00 23.34 C ATOM 2245 CD2 TYR B 787 -5.889 22.042 22.381 1.00 22.62 C ATOM 2246 CE1 TYR B 787 -7.893 20.286 22.887 1.00 22.47 C ATOM 2247 CE2 TYR B 787 -5.655 20.710 22.268 1.00 22.66 C ATOM 2248 CZ TYR B 787 -6.650 19.830 22.574 1.00 24.75 C ATOM 2249 OH TYR B 787 -6.418 18.514 22.566 1.00 22.16 O ATOM 0 H TYR B 787 -6.333 24.911 20.726 1.00 21.13 H new ATOM 0 HA TYR B 787 -8.752 24.158 21.237 1.00 21.14 H new ATOM 0 HB2 TYR B 787 -6.543 24.464 22.951 1.00 20.80 H new ATOM 0 HB3 TYR B 787 -7.922 24.176 23.620 1.00 20.80 H new ATOM 0 HD1 TYR B 787 -8.963 21.947 23.214 1.00 23.34 H new ATOM 0 HD2 TYR B 787 -5.186 22.637 22.253 1.00 22.62 H new ATOM 0 HE1 TYR B 787 -8.585 19.686 23.049 1.00 22.47 H new ATOM 0 HE2 TYR B 787 -4.825 20.401 21.985 1.00 22.66 H new ATOM 0 HH TYR B 787 -7.109 18.106 22.815 1.00 22.16 H new ATOM 2250 N CYS B 788 -8.290 27.153 22.217 1.00 21.89 N ATOM 2251 CA CYS B 788 -8.968 28.420 22.645 1.00 25.85 C ATOM 2252 C CYS B 788 -10.235 28.778 21.835 1.00 27.08 C ATOM 2253 O CYS B 788 -11.121 29.458 22.309 1.00 27.29 O ATOM 2254 CB CYS B 788 -7.988 29.613 22.606 1.00 23.65 C ATOM 2255 SG CYS B 788 -6.769 29.617 23.947 1.00 27.93 S ATOM 0 H CYS B 788 -7.477 27.267 21.961 1.00 21.89 H new ATOM 0 HA CYS B 788 -9.259 28.247 23.554 1.00 25.85 H new ATOM 0 HB2 CYS B 788 -7.520 29.606 21.757 1.00 23.65 H new ATOM 0 HB3 CYS B 788 -8.497 30.438 22.643 1.00 23.65 H new ATOM 0 HG CYS B 788 -6.073 28.643 23.859 1.00 27.93 H new ATOM 2256 N ASP B 789 -10.316 28.291 20.606 1.00 26.76 N ATOM 2257 CA ASP B 789 -11.489 28.459 19.781 1.00 26.56 C ATOM 2258 C ASP B 789 -12.554 27.511 20.174 1.00 25.20 C ATOM 2259 O ASP B 789 -12.281 26.357 20.322 1.00 21.86 O ATOM 2260 CB ASP B 789 -11.190 28.248 18.281 1.00 27.58 C ATOM 2261 CG ASP B 789 -12.319 28.866 17.442 1.00 32.87 C ATOM 2262 OD1 ASP B 789 -13.414 28.248 17.394 1.00 29.44 O ATOM 2263 OD2 ASP B 789 -12.164 30.055 17.074 1.00 36.48 O ATOM 0 H ASP B 789 -9.682 27.850 20.227 1.00 26.76 H new ATOM 0 HA ASP B 789 -11.782 29.374 19.918 1.00 26.56 H new ATOM 0 HB2 ASP B 789 -10.341 28.657 18.050 1.00 27.58 H new ATOM 0 HB3 ASP B 789 -11.111 27.301 18.087 1.00 27.58 H new ATOM 2264 N SER B 790 -13.821 27.949 20.275 1.00 24.49 N ATOM 2265 CA SER B 790 -14.813 27.069 20.875 1.00 27.95 C ATOM 2266 C SER B 790 -15.145 25.981 19.847 1.00 27.06 C ATOM 2267 O SER B 790 -15.581 24.907 20.232 1.00 29.96 O ATOM 2268 CB SER B 790 -16.099 27.830 21.264 1.00 34.09 C ATOM 2269 OG SER B 790 -16.598 28.358 20.046 1.00 40.83 O ATOM 0 H SER B 790 -14.108 28.716 20.013 1.00 24.49 H new ATOM 0 HA SER B 790 -14.452 26.688 21.691 1.00 27.95 H new ATOM 0 HB2 SER B 790 -16.745 27.238 21.680 1.00 34.09 H new ATOM 0 HB3 SER B 790 -15.910 28.536 21.901 1.00 34.09 H new ATOM 0 HG SER B 790 -17.305 28.786 20.195 1.00 40.83 H new ATOM 2270 N LYS B 791 -14.905 26.229 18.554 1.00 23.52 N ATOM 2271 CA LYS B 791 -15.167 25.199 17.542 1.00 25.05 C ATOM 2272 C LYS B 791 -14.162 24.024 17.580 1.00 26.31 C ATOM 2273 O LYS B 791 -14.359 23.002 16.927 1.00 27.24 O ATOM 2274 CB LYS B 791 -15.126 25.836 16.177 1.00 28.57 C ATOM 2275 CG LYS B 791 -16.297 26.813 15.853 1.00 29.98 C ATOM 2276 CD LYS B 791 -15.887 27.705 14.656 1.00 35.75 C ATOM 2277 CE LYS B 791 -16.911 28.786 14.375 1.00 41.02 C ATOM 2278 NZ LYS B 791 -18.172 28.186 13.862 1.00 38.95 N ATOM 0 H LYS B 791 -14.597 26.971 18.247 1.00 23.52 H new ATOM 0 HA LYS B 791 -16.041 24.826 17.738 1.00 25.05 H new ATOM 0 HB2 LYS B 791 -14.289 26.319 16.088 1.00 28.57 H new ATOM 0 HB3 LYS B 791 -15.119 25.132 15.510 1.00 28.57 H new ATOM 0 HG2 LYS B 791 -17.101 26.314 15.640 1.00 29.98 H new ATOM 0 HG3 LYS B 791 -16.500 27.362 16.627 1.00 29.98 H new ATOM 0 HD2 LYS B 791 -15.027 28.115 14.839 1.00 35.75 H new ATOM 0 HD3 LYS B 791 -15.776 27.153 13.866 1.00 35.75 H new ATOM 0 HE2 LYS B 791 -17.091 29.288 15.186 1.00 41.02 H new ATOM 0 HE3 LYS B 791 -16.557 29.414 13.726 1.00 41.02 H new ATOM 0 HZ1 LYS B 791 -18.779 28.826 13.742 1.00 38.95 H new ATOM 0 HZ2 LYS B 791 -18.013 27.779 13.086 1.00 38.95 H new ATOM 0 HZ3 LYS B 791 -18.479 27.593 14.450 1.00 38.95 H new ATOM 2279 N SER B 792 -13.100 24.166 18.369 1.00 22.33 N ATOM 2280 CA SER B 792 -12.103 23.090 18.551 1.00 22.52 C ATOM 2281 C SER B 792 -12.760 21.829 19.145 1.00 25.15 C ATOM 2282 O SER B 792 -12.241 20.729 18.943 1.00 23.97 O ATOM 2283 CB SER B 792 -10.928 23.605 19.400 1.00 22.63 C ATOM 2284 OG SER B 792 -11.326 23.804 20.770 1.00 22.81 O ATOM 0 H SER B 792 -12.930 24.881 18.815 1.00 22.33 H new ATOM 0 HA SER B 792 -11.745 22.831 17.687 1.00 22.52 H new ATOM 0 HB2 SER B 792 -10.195 22.971 19.362 1.00 22.63 H new ATOM 0 HB3 SER B 792 -10.600 24.440 19.031 1.00 22.63 H new ATOM 0 HG SER B 792 -11.649 24.574 20.859 1.00 22.81 H new ATOM 2285 N CYS B 793 -13.970 21.942 19.716 1.00 24.45 N ATOM 2286 CA CYS B 793 -14.599 20.800 20.359 1.00 26.82 C ATOM 2287 C CYS B 793 -14.901 19.722 19.356 1.00 27.64 C ATOM 2288 O CYS B 793 -14.836 18.555 19.701 1.00 28.41 O ATOM 2289 CB CYS B 793 -15.920 21.184 21.099 1.00 31.40 C ATOM 2290 SG CYS B 793 -17.218 21.854 20.013 1.00 34.78 S ATOM 0 H CYS B 793 -14.431 22.667 19.737 1.00 24.45 H new ATOM 0 HA CYS B 793 -13.964 20.475 21.017 1.00 26.82 H new ATOM 0 HB2 CYS B 793 -16.265 20.399 21.552 1.00 31.40 H new ATOM 0 HB3 CYS B 793 -15.716 21.839 21.784 1.00 31.40 H new ATOM 0 HG CYS B 793 -17.022 23.023 19.829 1.00 34.78 H new ATOM 2291 N PHE B 794 -15.196 20.107 18.095 1.00 23.86 N ATOM 2292 CA PHE B 794 -15.474 19.136 17.096 1.00 22.05 C ATOM 2293 C PHE B 794 -14.259 18.267 16.730 1.00 24.31 C ATOM 2294 O PHE B 794 -14.409 17.193 16.160 1.00 23.14 O ATOM 2295 CB PHE B 794 -15.992 19.812 15.815 1.00 25.30 C ATOM 2296 CG PHE B 794 -17.311 20.552 15.987 1.00 23.63 C ATOM 2297 CD1 PHE B 794 -18.460 19.854 16.274 1.00 21.46 C ATOM 2298 CD2 PHE B 794 -17.362 21.964 15.905 1.00 22.00 C ATOM 2299 CE1 PHE B 794 -19.684 20.519 16.426 1.00 23.62 C ATOM 2300 CE2 PHE B 794 -18.583 22.637 16.086 1.00 23.11 C ATOM 2301 CZ PHE B 794 -19.736 21.921 16.328 1.00 22.95 C ATOM 0 H PHE B 794 -15.233 20.924 17.829 1.00 23.86 H new ATOM 0 HA PHE B 794 -16.150 18.555 17.479 1.00 22.05 H new ATOM 0 HB2 PHE B 794 -15.321 20.437 15.498 1.00 25.30 H new ATOM 0 HB3 PHE B 794 -16.099 19.137 15.126 1.00 25.30 H new ATOM 0 HD1 PHE B 794 -18.425 18.929 16.368 1.00 21.46 H new ATOM 0 HD2 PHE B 794 -16.587 22.447 15.731 1.00 22.00 H new ATOM 0 HE1 PHE B 794 -20.460 20.034 16.591 1.00 23.62 H new ATOM 0 HE2 PHE B 794 -18.613 23.565 16.042 1.00 23.11 H new ATOM 0 HZ PHE B 794 -20.547 22.365 16.426 1.00 22.95 H new ATOM 2302 N PHE B 795 -13.067 18.765 17.008 1.00 25.82 N ATOM 2303 CA PHE B 795 -11.813 18.113 16.573 1.00 24.50 C ATOM 2304 C PHE B 795 -10.978 17.502 17.689 1.00 25.92 C ATOM 2305 O PHE B 795 -9.878 16.989 17.391 1.00 26.07 O ATOM 2306 CB PHE B 795 -10.995 19.183 15.847 1.00 25.82 C ATOM 2307 CG PHE B 795 -11.715 19.735 14.663 1.00 28.44 C ATOM 2308 CD1 PHE B 795 -11.829 18.961 13.481 1.00 25.31 C ATOM 2309 CD2 PHE B 795 -12.352 20.970 14.730 1.00 25.77 C ATOM 2310 CE1 PHE B 795 -12.564 19.441 12.383 1.00 26.41 C ATOM 2311 CE2 PHE B 795 -13.079 21.426 13.632 1.00 26.10 C ATOM 2312 CZ PHE B 795 -13.186 20.677 12.472 1.00 25.52 C ATOM 0 H PHE B 795 -12.948 19.491 17.454 1.00 25.82 H new ATOM 0 HA PHE B 795 -12.053 17.361 16.010 1.00 24.50 H new ATOM 0 HB2 PHE B 795 -10.789 19.903 16.463 1.00 25.82 H new ATOM 0 HB3 PHE B 795 -10.149 18.803 15.561 1.00 25.82 H new ATOM 0 HD1 PHE B 795 -11.415 18.130 13.432 1.00 25.31 H new ATOM 0 HD2 PHE B 795 -12.293 21.487 15.501 1.00 25.77 H new ATOM 0 HE1 PHE B 795 -12.632 18.935 11.606 1.00 26.41 H new ATOM 0 HE2 PHE B 795 -13.502 22.253 13.679 1.00 26.10 H new ATOM 0 HZ PHE B 795 -13.676 21.003 11.752 1.00 25.52 H new ATOM 2313 N ALA B 796 -11.451 17.614 18.947 1.00 24.14 N ATOM 2314 CA ALA B 796 -10.692 17.269 20.168 1.00 24.58 C ATOM 2315 C ALA B 796 -10.560 15.792 20.391 1.00 24.38 C ATOM 2316 O ALA B 796 -9.447 15.306 20.621 1.00 23.54 O ATOM 2317 CB ALA B 796 -11.269 17.948 21.413 1.00 24.89 C ATOM 0 H ALA B 796 -12.244 17.901 19.116 1.00 24.14 H new ATOM 0 HA ALA B 796 -9.798 17.613 20.016 1.00 24.58 H new ATOM 0 HB1 ALA B 796 -10.746 17.698 22.190 1.00 24.89 H new ATOM 0 HB2 ALA B 796 -11.239 18.911 21.300 1.00 24.89 H new ATOM 0 HB3 ALA B 796 -12.189 17.666 21.539 1.00 24.89 H new ATOM 2318 N SER B 797 -11.666 15.072 20.303 1.00 25.25 N ATOM 2319 CA SER B 797 -11.717 13.636 20.531 1.00 29.06 C ATOM 2320 C SER B 797 -11.668 12.810 19.275 1.00 30.16 C ATOM 2321 O SER B 797 -11.794 13.346 18.212 1.00 27.19 O ATOM 2322 CB SER B 797 -13.034 13.282 21.257 1.00 32.37 C ATOM 2323 OG SER B 797 -12.944 13.882 22.491 1.00 39.80 O ATOM 0 H SER B 797 -12.430 15.413 20.104 1.00 25.25 H new ATOM 0 HA SER B 797 -10.928 13.426 21.055 1.00 29.06 H new ATOM 0 HB2 SER B 797 -13.803 13.609 20.765 1.00 32.37 H new ATOM 0 HB3 SER B 797 -13.139 12.321 21.342 1.00 32.37 H new ATOM 0 HG SER B 797 -13.641 13.722 22.932 1.00 39.80 H new ATOM 2324 N GLU B 798 -11.524 11.487 19.434 1.00 29.86 N ATOM 2325 CA GLU B 798 -11.506 10.526 18.316 1.00 35.46 C ATOM 2326 C GLU B 798 -12.820 10.592 17.520 1.00 41.08 C ATOM 2327 O GLU B 798 -13.914 10.430 18.094 1.00 40.68 O ATOM 2328 CB GLU B 798 -11.310 9.119 18.837 1.00 37.32 C ATOM 2329 CG GLU B 798 -11.185 8.071 17.744 1.00 47.14 C ATOM 2330 CD GLU B 798 -10.656 6.749 18.251 1.00 48.91 C ATOM 2331 OE1 GLU B 798 -10.186 5.989 17.422 1.00 51.94 O ATOM 2332 OE2 GLU B 798 -10.713 6.461 19.456 1.00 54.29 O ATOM 0 H GLU B 798 -11.433 11.117 20.205 1.00 29.86 H new ATOM 0 HA GLU B 798 -10.769 10.761 17.731 1.00 35.46 H new ATOM 0 HB2 GLU B 798 -10.512 9.096 19.388 1.00 37.32 H new ATOM 0 HB3 GLU B 798 -12.058 8.888 19.410 1.00 37.32 H new ATOM 0 HG2 GLU B 798 -12.054 7.931 17.336 1.00 47.14 H new ATOM 0 HG3 GLU B 798 -10.596 8.404 17.049 1.00 47.14 H new ATOM 2333 N PRO B 799 -12.737 10.866 16.215 1.00 42.50 N ATOM 2334 CA PRO B 799 -14.004 11.008 15.557 1.00 48.75 C ATOM 2335 C PRO B 799 -14.626 9.651 15.277 1.00 48.72 C ATOM 2336 O PRO B 799 -13.928 8.616 15.163 1.00 43.65 O ATOM 2337 CB PRO B 799 -13.663 11.785 14.276 1.00 52.73 C ATOM 2338 CG PRO B 799 -12.224 11.570 14.048 1.00 46.84 C ATOM 2339 CD PRO B 799 -11.613 10.968 15.277 1.00 45.83 C ATOM 0 HA PRO B 799 -14.668 11.472 16.091 1.00 48.75 H new ATOM 0 HB2 PRO B 799 -14.186 11.464 13.525 1.00 52.73 H new ATOM 0 HB3 PRO B 799 -13.862 12.729 14.378 1.00 52.73 H new ATOM 0 HG2 PRO B 799 -12.090 10.983 13.287 1.00 46.84 H new ATOM 0 HG3 PRO B 799 -11.790 12.411 13.837 1.00 46.84 H new ATOM 0 HD2 PRO B 799 -11.224 10.099 15.092 1.00 45.83 H new ATOM 0 HD3 PRO B 799 -10.903 11.526 15.631 1.00 45.83 H new ATOM 2340 N TYR B 800 -15.948 9.670 15.266 1.00 56.38 N ATOM 2341 CA TYR B 800 -16.727 8.537 14.811 1.00 66.14 C ATOM 2342 C TYR B 800 -17.007 8.739 13.311 1.00 73.07 C ATOM 2343 O TYR B 800 -17.429 9.847 12.872 1.00 77.22 O ATOM 2344 CB TYR B 800 -18.038 8.479 15.554 1.00 67.27 C ATOM 2345 CG TYR B 800 -18.836 7.323 15.093 1.00 85.47 C ATOM 2346 CD1 TYR B 800 -18.402 6.032 15.360 1.00 93.36 C ATOM 2347 CD2 TYR B 800 -20.008 7.500 14.343 1.00 96.81 C ATOM 2348 CE1 TYR B 800 -19.120 4.943 14.928 1.00102.03 C ATOM 2349 CE2 TYR B 800 -20.737 6.408 13.897 1.00102.31 C ATOM 2350 CZ TYR B 800 -20.283 5.130 14.199 1.00104.05 C ATOM 2351 OH TYR B 800 -20.978 4.032 13.782 1.00111.93 O ATOM 0 H TYR B 800 -16.419 10.342 15.523 1.00 56.38 H new ATOM 0 HA TYR B 800 -16.243 7.712 14.969 1.00 66.14 H new ATOM 0 HB2 TYR B 800 -17.874 8.408 16.507 1.00 67.27 H new ATOM 0 HB3 TYR B 800 -18.534 9.300 15.412 1.00 67.27 H new ATOM 0 HD1 TYR B 800 -17.615 5.902 15.838 1.00 93.36 H new ATOM 0 HD2 TYR B 800 -20.300 8.360 14.142 1.00 96.81 H new ATOM 0 HE1 TYR B 800 -18.826 4.083 15.124 1.00102.03 H new ATOM 0 HE2 TYR B 800 -21.516 6.529 13.404 1.00102.31 H new ATOM 0 HH TYR B 800 -21.659 4.277 13.355 1.00111.93 H new ATOM 2352 N TYR B 801 -16.777 7.689 12.527 1.00 59.75 N ATOM 2353 CA TYR B 801 -17.045 7.759 11.097 1.00 62.82 C ATOM 2354 C TYR B 801 -18.090 6.695 10.632 1.00 71.18 C ATOM 2355 O TYR B 801 -19.318 6.917 10.738 1.00 69.66 O ATOM 2356 CB TYR B 801 -15.727 7.661 10.332 1.00 51.64 C ATOM 2357 CG TYR B 801 -14.816 8.832 10.462 1.00 43.79 C ATOM 2358 CD1 TYR B 801 -15.267 10.141 10.298 1.00 38.29 C ATOM 2359 CD2 TYR B 801 -13.470 8.632 10.695 1.00 49.58 C ATOM 2360 CE1 TYR B 801 -14.402 11.218 10.350 1.00 35.46 C ATOM 2361 CE2 TYR B 801 -12.590 9.717 10.774 1.00 44.82 C ATOM 2362 CZ TYR B 801 -13.069 10.991 10.604 1.00 36.24 C ATOM 2363 OH TYR B 801 -12.169 12.014 10.724 1.00 39.31 O ATOM 0 H TYR B 801 -16.469 6.934 12.801 1.00 59.75 H new ATOM 0 HA TYR B 801 -17.454 8.616 10.899 1.00 62.82 H new ATOM 0 HB2 TYR B 801 -15.255 6.870 10.634 1.00 51.64 H new ATOM 0 HB3 TYR B 801 -15.927 7.530 9.392 1.00 51.64 H new ATOM 0 HD1 TYR B 801 -16.172 10.293 10.150 1.00 38.29 H new ATOM 0 HD2 TYR B 801 -13.145 7.767 10.801 1.00 49.58 H new ATOM 0 HE1 TYR B 801 -14.716 12.083 10.215 1.00 35.46 H new ATOM 0 HE2 TYR B 801 -11.686 9.575 10.941 1.00 44.82 H new ATOM 0 HH TYR B 801 -12.511 12.637 11.171 1.00 39.31 H new ATOM 2364 N ASN B 802 -17.576 5.565 10.133 1.00 76.18 N ATOM 2365 CA ASN B 802 -18.324 4.467 9.550 1.00 80.20 C ATOM 2366 C ASN B 802 -17.936 3.264 10.426 1.00 93.16 C ATOM 2367 O ASN B 802 -17.080 2.472 10.016 1.00113.00 O ATOM 2368 CB ASN B 802 -17.852 4.186 8.076 1.00 72.83 C ATOM 2369 CG ASN B 802 -17.894 5.423 7.135 1.00 54.76 C ATOM 2370 OD1 ASN B 802 -18.948 5.961 6.871 1.00 44.94 O ATOM 2371 ND2 ASN B 802 -16.748 5.808 6.574 1.00 48.43 N ATOM 0 H ASN B 802 -16.729 5.419 10.130 1.00 76.18 H new ATOM 0 HA ASN B 802 -19.276 4.649 9.519 1.00 80.20 H new ATOM 0 HB2 ASN B 802 -16.945 3.843 8.099 1.00 72.83 H new ATOM 0 HB3 ASN B 802 -18.410 3.488 7.698 1.00 72.83 H new ATOM 0 HD21 ASN B 802 -16.743 6.455 6.007 1.00 48.43 H new ATOM 0 HD22 ASN B 802 -16.014 5.410 6.779 1.00 48.43 H new ATOM 2372 N ARG B 803 -18.491 3.137 11.635 1.00107.10 N ATOM 2373 CA ARG B 803 -18.069 2.044 12.539 1.00113.62 C ATOM 2374 C ARG B 803 -18.465 0.697 11.935 1.00116.79 C ATOM 2375 O ARG B 803 -19.620 0.534 11.551 1.00114.48 O ATOM 2376 CB ARG B 803 -18.673 2.142 13.935 1.00111.57 C ATOM 0 H ARG B 803 -19.099 3.656 11.951 1.00107.10 H new ATOM 0 HA ARG B 803 -17.107 2.124 12.631 1.00113.62 H new ATOM 2377 N GLU B 804 -17.534 -0.253 11.794 1.00130.94 N ATOM 2378 CA GLU B 804 -16.082 -0.053 11.959 1.00129.61 C ATOM 2379 C GLU B 804 -15.353 -0.771 10.813 1.00132.36 C ATOM 2380 O GLU B 804 -15.171 -0.170 9.749 1.00139.70 O ATOM 2381 CB GLU B 804 -15.600 -0.483 13.358 1.00117.97 C ATOM 0 H GLU B 804 -17.736 -1.064 11.592 1.00130.94 H new ATOM 0 HA GLU B 804 -15.871 0.892 11.905 1.00129.61 H new ATOM 2382 N GLY B 805 -14.968 -2.038 10.989 1.00128.88 N ATOM 2383 CA GLY B 805 -14.070 -2.694 10.036 1.00125.83 C ATOM 2384 C GLY B 805 -12.864 -1.802 9.742 1.00129.58 C ATOM 2385 O GLY B 805 -12.330 -1.165 10.658 1.00134.29 O ATOM 0 H GLY B 805 -15.214 -2.531 11.649 1.00128.88 H new ATOM 0 HA2 GLY B 805 -13.771 -3.544 10.396 1.00125.83 H new ATOM 0 HA3 GLY B 805 -14.546 -2.886 9.213 1.00125.83 H new ATOM 2386 N SER B 806 -12.459 -1.736 8.469 1.00131.75 N ATOM 2387 CA SER B 806 -11.384 -0.830 8.003 1.00123.83 C ATOM 2388 C SER B 806 -11.890 0.483 7.319 1.00120.42 C ATOM 2389 O SER B 806 -11.077 1.231 6.755 1.00115.27 O ATOM 2390 CB SER B 806 -10.414 -1.592 7.073 1.00113.72 C ATOM 0 H SER B 806 -12.799 -2.217 7.843 1.00131.75 H new ATOM 0 HA SER B 806 -10.919 -0.537 8.802 1.00123.83 H new ATOM 2391 N GLN B 807 -13.193 0.800 7.427 1.00112.12 N ATOM 2392 CA GLN B 807 -13.805 1.965 6.723 1.00 97.97 C ATOM 2393 C GLN B 807 -13.461 3.377 7.299 1.00 78.65 C ATOM 2394 O GLN B 807 -14.098 4.376 6.924 1.00 63.85 O ATOM 2395 CB GLN B 807 -15.337 1.779 6.612 1.00 96.06 C ATOM 0 H GLN B 807 -13.750 0.352 7.906 1.00112.12 H new ATOM 0 HA GLN B 807 -13.393 1.962 5.845 1.00 97.97 H new ATOM 2396 N GLY B 808 -12.493 3.449 8.222 1.00 63.82 N ATOM 2397 CA GLY B 808 -11.856 4.707 8.619 1.00 56.99 C ATOM 2398 C GLY B 808 -10.785 5.205 7.635 1.00 50.45 C ATOM 2399 O GLY B 808 -10.337 4.462 6.740 1.00 45.45 O ATOM 0 H GLY B 808 -12.187 2.761 8.637 1.00 63.82 H new ATOM 0 HA2 GLY B 808 -12.539 5.389 8.711 1.00 56.99 H new ATOM 0 HA3 GLY B 808 -11.450 4.592 9.493 1.00 56.99 H new ATOM 2400 N PRO B 809 -10.364 6.472 7.797 1.00 44.52 N ATOM 2401 CA PRO B 809 -9.420 7.070 6.863 1.00 44.42 C ATOM 2402 C PRO B 809 -8.037 6.454 6.998 1.00 48.49 C ATOM 2403 O PRO B 809 -7.761 5.664 7.969 1.00 44.47 O ATOM 2404 CB PRO B 809 -9.347 8.551 7.319 1.00 39.29 C ATOM 2405 CG PRO B 809 -9.599 8.477 8.789 1.00 41.17 C ATOM 2406 CD PRO B 809 -10.579 7.340 8.985 1.00 46.64 C ATOM 0 HA PRO B 809 -9.698 6.945 5.942 1.00 44.42 H new ATOM 0 HB2 PRO B 809 -8.481 8.942 7.124 1.00 39.29 H new ATOM 0 HB3 PRO B 809 -10.012 9.096 6.870 1.00 39.29 H new ATOM 0 HG2 PRO B 809 -8.776 8.314 9.275 1.00 41.17 H new ATOM 0 HG3 PRO B 809 -9.964 9.312 9.122 1.00 41.17 H new ATOM 0 HD2 PRO B 809 -10.407 6.861 9.811 1.00 46.64 H new ATOM 0 HD3 PRO B 809 -11.493 7.662 9.029 1.00 46.64 H new ATOM 2407 N GLN B 810 -7.167 6.881 6.085 1.00 46.76 N ATOM 2408 CA GLN B 810 -5.837 6.331 6.009 1.00 57.71 C ATOM 2409 C GLN B 810 -5.136 6.543 7.352 1.00 53.44 C ATOM 2410 O GLN B 810 -4.628 5.577 7.939 1.00 61.86 O ATOM 2411 CB GLN B 810 -5.053 6.944 4.854 1.00 67.21 C ATOM 2412 CG GLN B 810 -3.812 6.133 4.501 1.00 82.89 C ATOM 2413 CD GLN B 810 -2.668 7.001 4.000 1.00 91.54 C ATOM 2414 OE1 GLN B 810 -2.103 7.815 4.747 1.00 97.09 O ATOM 2415 NE2 GLN B 810 -2.314 6.827 2.735 1.00 89.71 N ATOM 0 H GLN B 810 -7.337 7.491 5.503 1.00 46.76 H new ATOM 0 HA GLN B 810 -5.888 5.379 5.830 1.00 57.71 H new ATOM 0 HB2 GLN B 810 -5.627 7.008 4.075 1.00 67.21 H new ATOM 0 HB3 GLN B 810 -4.790 7.848 5.088 1.00 67.21 H new ATOM 0 HG2 GLN B 810 -3.520 5.639 5.283 1.00 82.89 H new ATOM 0 HG3 GLN B 810 -4.039 5.480 3.821 1.00 82.89 H new ATOM 0 HE21 GLN B 810 -2.729 6.253 2.247 1.00 89.71 H new ATOM 0 HE22 GLN B 810 -1.669 7.288 2.402 1.00 89.71 H new ATOM 2416 N LYS B 811 -5.139 7.770 7.864 1.00 38.64 N ATOM 2417 CA LYS B 811 -4.681 7.982 9.240 1.00 38.88 C ATOM 2418 C LYS B 811 -5.604 8.916 10.052 1.00 33.43 C ATOM 2419 O LYS B 811 -5.630 10.102 9.785 1.00 31.15 O ATOM 2420 CB LYS B 811 -3.271 8.561 9.197 1.00 39.95 C ATOM 2421 CG LYS B 811 -2.620 8.739 10.553 1.00 42.34 C ATOM 2422 CD LYS B 811 -1.161 9.133 10.328 1.00 46.17 C ATOM 2423 CE LYS B 811 -0.540 9.689 11.604 1.00 48.03 C ATOM 2424 NZ LYS B 811 0.741 10.382 11.264 1.00 53.93 N ATOM 0 H LYS B 811 -5.394 8.478 7.447 1.00 38.64 H new ATOM 0 HA LYS B 811 -4.696 7.123 9.691 1.00 38.88 H new ATOM 0 HB2 LYS B 811 -2.712 7.981 8.657 1.00 39.95 H new ATOM 0 HB3 LYS B 811 -3.301 9.422 8.750 1.00 39.95 H new ATOM 0 HG2 LYS B 811 -3.081 9.423 11.063 1.00 42.34 H new ATOM 0 HG3 LYS B 811 -2.674 7.917 11.066 1.00 42.34 H new ATOM 0 HD2 LYS B 811 -0.657 8.360 10.029 1.00 46.17 H new ATOM 0 HD3 LYS B 811 -1.107 9.797 9.623 1.00 46.17 H new ATOM 0 HE2 LYS B 811 -1.152 10.308 12.032 1.00 48.03 H new ATOM 0 HE3 LYS B 811 -0.375 8.972 12.236 1.00 48.03 H new ATOM 0 HZ1 LYS B 811 1.172 10.594 12.013 1.00 53.93 H new ATOM 0 HZ2 LYS B 811 1.249 9.842 10.772 1.00 53.93 H new ATOM 0 HZ3 LYS B 811 0.565 11.123 10.804 1.00 53.93 H new ATOM 2425 N PRO B 812 -6.305 8.388 11.052 1.00 32.59 N ATOM 2426 CA PRO B 812 -7.148 9.252 11.832 1.00 33.25 C ATOM 2427 C PRO B 812 -6.333 10.180 12.792 1.00 35.85 C ATOM 2428 O PRO B 812 -5.215 9.853 13.202 1.00 30.02 O ATOM 2429 CB PRO B 812 -8.091 8.283 12.561 1.00 35.81 C ATOM 2430 CG PRO B 812 -7.450 6.980 12.507 1.00 35.48 C ATOM 2431 CD PRO B 812 -6.442 6.977 11.428 1.00 35.21 C ATOM 0 HA PRO B 812 -7.639 9.888 11.289 1.00 33.25 H new ATOM 0 HB2 PRO B 812 -8.233 8.562 13.479 1.00 35.81 H new ATOM 0 HB3 PRO B 812 -8.962 8.259 12.134 1.00 35.81 H new ATOM 0 HG2 PRO B 812 -7.029 6.779 13.358 1.00 35.48 H new ATOM 0 HG3 PRO B 812 -8.112 6.289 12.348 1.00 35.48 H new ATOM 0 HD2 PRO B 812 -5.598 6.609 11.734 1.00 35.21 H new ATOM 0 HD3 PRO B 812 -6.731 6.437 10.676 1.00 35.21 H new ATOM 2432 N MET B 813 -6.878 11.356 13.081 1.00 27.91 N ATOM 2433 CA MET B 813 -6.170 12.351 13.882 1.00 26.92 C ATOM 2434 C MET B 813 -7.170 13.272 14.600 1.00 26.09 C ATOM 2435 O MET B 813 -8.266 13.573 14.089 1.00 23.75 O ATOM 2436 CB MET B 813 -5.203 13.140 13.007 1.00 24.07 C ATOM 2437 CG MET B 813 -4.149 13.927 13.762 1.00 25.78 C ATOM 2438 SD MET B 813 -3.177 13.012 15.033 1.00 28.71 S ATOM 2439 CE MET B 813 -2.418 11.773 13.946 1.00 31.20 C ATOM 0 H MET B 813 -7.661 11.600 12.822 1.00 27.91 H new ATOM 0 HA MET B 813 -5.649 11.898 14.564 1.00 26.92 H new ATOM 0 HB2 MET B 813 -4.757 12.524 12.405 1.00 24.07 H new ATOM 0 HB3 MET B 813 -5.714 13.755 12.457 1.00 24.07 H new ATOM 0 HG2 MET B 813 -3.528 14.297 13.115 1.00 25.78 H new ATOM 0 HG3 MET B 813 -4.585 14.676 14.197 1.00 25.78 H new ATOM 0 HE1 MET B 813 -1.548 11.526 14.295 1.00 31.20 H new ATOM 0 HE2 MET B 813 -2.985 10.987 13.905 1.00 31.20 H new ATOM 0 HE3 MET B 813 -2.315 12.143 13.055 1.00 31.20 H new ATOM 2440 N TRP B 814 -6.825 13.618 15.827 1.00 24.35 N ATOM 2441 CA TRP B 814 -7.641 14.510 16.617 1.00 22.30 C ATOM 2442 C TRP B 814 -6.740 15.290 17.574 1.00 22.30 C ATOM 2443 O TRP B 814 -5.566 14.917 17.776 1.00 21.22 O ATOM 2444 CB TRP B 814 -8.751 13.727 17.305 1.00 24.39 C ATOM 2445 CG TRP B 814 -8.344 12.609 18.142 1.00 24.88 C ATOM 2446 CD1 TRP B 814 -8.179 12.661 19.457 1.00 28.78 C ATOM 2447 CD2 TRP B 814 -8.074 11.269 17.749 1.00 25.16 C ATOM 2448 NE1 TRP B 814 -7.794 11.452 19.949 1.00 29.26 N ATOM 2449 CE2 TRP B 814 -7.743 10.562 18.914 1.00 28.39 C ATOM 2450 CE3 TRP B 814 -8.046 10.600 16.520 1.00 26.28 C ATOM 2451 CZ2 TRP B 814 -7.377 9.206 18.911 1.00 29.68 C ATOM 2452 CZ3 TRP B 814 -7.724 9.239 16.488 1.00 29.74 C ATOM 2453 CH2 TRP B 814 -7.375 8.547 17.688 1.00 30.92 C ATOM 0 H TRP B 814 -6.113 13.342 16.223 1.00 24.35 H new ATOM 0 HA TRP B 814 -8.089 15.164 16.058 1.00 22.30 H new ATOM 0 HB2 TRP B 814 -9.262 14.344 17.852 1.00 24.39 H new ATOM 0 HB3 TRP B 814 -9.351 13.390 16.622 1.00 24.39 H new ATOM 0 HD1 TRP B 814 -8.309 13.423 19.974 1.00 28.78 H new ATOM 0 HE1 TRP B 814 -7.614 11.278 20.772 1.00 29.26 H new ATOM 0 HE3 TRP B 814 -8.239 11.056 15.733 1.00 26.28 H new ATOM 0 HZ2 TRP B 814 -7.145 8.766 19.697 1.00 29.68 H new ATOM 0 HZ3 TRP B 814 -7.737 8.781 15.679 1.00 29.74 H new ATOM 0 HH2 TRP B 814 -7.144 7.647 17.650 1.00 30.92 H new ATOM 2454 N LEU B 815 -7.239 16.404 18.103 1.00 18.50 N ATOM 2455 CA LEU B 815 -6.399 17.286 18.815 1.00 21.17 C ATOM 2456 C LEU B 815 -5.820 16.631 20.079 1.00 21.71 C ATOM 2457 O LEU B 815 -4.667 16.831 20.339 1.00 19.20 O ATOM 2458 CB LEU B 815 -7.081 18.569 19.199 1.00 21.29 C ATOM 2459 CG LEU B 815 -7.529 19.448 18.042 1.00 22.11 C ATOM 2460 CD1 LEU B 815 -8.480 20.518 18.598 1.00 22.44 C ATOM 2461 CD2 LEU B 815 -6.353 20.114 17.351 1.00 22.28 C ATOM 0 H LEU B 815 -8.062 16.647 18.049 1.00 18.50 H new ATOM 0 HA LEU B 815 -5.679 17.498 18.201 1.00 21.17 H new ATOM 0 HB2 LEU B 815 -7.857 18.354 19.740 1.00 21.29 H new ATOM 0 HB3 LEU B 815 -6.478 19.082 19.759 1.00 21.29 H new ATOM 0 HG LEU B 815 -7.975 18.896 17.381 1.00 22.11 H new ATOM 0 HD11 LEU B 815 -8.779 21.092 17.876 1.00 22.44 H new ATOM 0 HD12 LEU B 815 -9.247 20.088 19.008 1.00 22.44 H new ATOM 0 HD13 LEU B 815 -8.015 21.051 19.262 1.00 22.44 H new ATOM 0 HD21 LEU B 815 -6.676 20.665 16.621 1.00 22.28 H new ATOM 0 HD22 LEU B 815 -5.875 20.669 17.987 1.00 22.28 H new ATOM 0 HD23 LEU B 815 -5.755 19.434 17.003 1.00 22.28 H new ATOM 2462 N ASN B 816 -6.603 15.836 20.802 1.00 20.38 N ATOM 2463 CA ASN B 816 -6.112 15.165 21.981 1.00 20.77 C ATOM 2464 C ASN B 816 -4.968 14.150 21.688 1.00 22.68 C ATOM 2465 O ASN B 816 -4.076 13.968 22.536 1.00 23.60 O ATOM 2466 CB ASN B 816 -7.237 14.479 22.680 1.00 21.07 C ATOM 2467 CG ASN B 816 -8.216 15.474 23.370 1.00 21.76 C ATOM 2468 OD1 ASN B 816 -7.978 16.678 23.468 1.00 22.21 O ATOM 2469 ND2 ASN B 816 -9.303 14.940 23.862 1.00 22.59 N ATOM 0 H ASN B 816 -7.428 15.676 20.618 1.00 20.38 H new ATOM 0 HA ASN B 816 -5.730 15.851 22.551 1.00 20.77 H new ATOM 0 HB2 ASN B 816 -7.728 13.939 22.041 1.00 21.07 H new ATOM 0 HB3 ASN B 816 -6.877 13.872 23.346 1.00 21.07 H new ATOM 0 HD21 ASN B 816 -9.878 15.433 24.269 1.00 22.59 H new ATOM 0 HD22 ASN B 816 -9.443 14.096 23.779 1.00 22.59 H new ATOM 2470 N LYS B 817 -4.971 13.564 20.486 1.00 23.02 N ATOM 2471 CA LYS B 817 -3.914 12.712 20.077 1.00 23.38 C ATOM 2472 C LYS B 817 -2.636 13.548 19.794 1.00 24.21 C ATOM 2473 O LYS B 817 -1.503 13.138 20.151 1.00 25.21 O ATOM 2474 CB LYS B 817 -4.316 11.933 18.896 1.00 25.79 C ATOM 2475 CG LYS B 817 -3.322 10.901 18.493 1.00 29.58 C ATOM 2476 CD LYS B 817 -3.841 10.024 17.400 1.00 38.23 C ATOM 2477 CE LYS B 817 -2.748 9.014 17.059 1.00 50.40 C ATOM 2478 NZ LYS B 817 -2.911 8.576 15.645 1.00 62.75 N ATOM 0 H LYS B 817 -5.595 13.664 19.903 1.00 23.02 H new ATOM 0 HA LYS B 817 -3.713 12.087 20.791 1.00 23.38 H new ATOM 0 HB2 LYS B 817 -5.165 11.500 19.078 1.00 25.79 H new ATOM 0 HB3 LYS B 817 -4.461 12.539 18.153 1.00 25.79 H new ATOM 0 HG2 LYS B 817 -2.506 11.336 18.199 1.00 29.58 H new ATOM 0 HG3 LYS B 817 -3.092 10.357 19.262 1.00 29.58 H new ATOM 0 HD2 LYS B 817 -4.649 9.569 17.684 1.00 38.23 H new ATOM 0 HD3 LYS B 817 -4.072 10.552 16.620 1.00 38.23 H new ATOM 0 HE2 LYS B 817 -1.873 9.412 17.187 1.00 50.40 H new ATOM 0 HE3 LYS B 817 -2.801 8.250 17.654 1.00 50.40 H new ATOM 0 HZ1 LYS B 817 -2.575 7.758 15.547 1.00 62.75 H new ATOM 0 HZ2 LYS B 817 -3.776 8.569 15.434 1.00 62.75 H new ATOM 0 HZ3 LYS B 817 -2.480 9.139 15.108 1.00 62.75 H new ATOM 2479 N VAL B 818 -2.798 14.706 19.192 1.00 23.18 N ATOM 2480 CA VAL B 818 -1.647 15.609 18.976 1.00 22.28 C ATOM 2481 C VAL B 818 -1.116 16.055 20.316 1.00 22.85 C ATOM 2482 O VAL B 818 0.119 16.140 20.532 1.00 24.04 O ATOM 2483 CB VAL B 818 -1.960 16.808 18.086 1.00 20.54 C ATOM 2484 CG1 VAL B 818 -0.765 17.728 17.855 1.00 19.56 C ATOM 2485 CG2 VAL B 818 -2.378 16.327 16.731 1.00 22.32 C ATOM 0 H VAL B 818 -3.550 15.001 18.898 1.00 23.18 H new ATOM 0 HA VAL B 818 -0.972 15.106 18.494 1.00 22.28 H new ATOM 0 HB VAL B 818 -2.655 17.302 18.549 1.00 20.54 H new ATOM 0 HG11 VAL B 818 -1.030 18.466 17.284 1.00 19.56 H new ATOM 0 HG12 VAL B 818 -0.453 18.074 18.706 1.00 19.56 H new ATOM 0 HG13 VAL B 818 -0.051 17.230 17.428 1.00 19.56 H new ATOM 0 HG21 VAL B 818 -2.577 17.089 16.164 1.00 22.32 H new ATOM 0 HG22 VAL B 818 -1.659 15.809 16.335 1.00 22.32 H new ATOM 0 HG23 VAL B 818 -3.168 15.771 16.814 1.00 22.32 H new ATOM 2486 N LYS B 819 -2.017 16.388 21.233 1.00 21.72 N ATOM 2487 CA LYS B 819 -1.543 16.806 22.564 1.00 22.53 C ATOM 2488 C LYS B 819 -0.661 15.718 23.251 1.00 19.36 C ATOM 2489 O LYS B 819 0.399 15.997 23.798 1.00 19.59 O ATOM 2490 CB LYS B 819 -2.746 17.146 23.447 1.00 22.32 C ATOM 2491 CG LYS B 819 -2.360 17.677 24.782 1.00 26.83 C ATOM 2492 CD LYS B 819 -3.568 17.913 25.672 1.00 29.39 C ATOM 2493 CE LYS B 819 -4.072 19.308 25.573 1.00 35.71 C ATOM 2494 NZ LYS B 819 -4.921 19.644 26.767 1.00 40.43 N ATOM 0 H LYS B 819 -2.870 16.383 21.122 1.00 21.72 H new ATOM 0 HA LYS B 819 -0.983 17.589 22.446 1.00 22.53 H new ATOM 0 HB2 LYS B 819 -3.299 17.801 22.992 1.00 22.32 H new ATOM 0 HB3 LYS B 819 -3.288 16.350 23.566 1.00 22.32 H new ATOM 0 HG2 LYS B 819 -1.757 17.053 25.215 1.00 26.83 H new ATOM 0 HG3 LYS B 819 -1.874 18.509 24.670 1.00 26.83 H new ATOM 0 HD2 LYS B 819 -4.275 17.297 25.425 1.00 29.39 H new ATOM 0 HD3 LYS B 819 -3.332 17.720 26.593 1.00 29.39 H new ATOM 0 HE2 LYS B 819 -3.325 19.925 25.516 1.00 35.71 H new ATOM 0 HE3 LYS B 819 -4.590 19.414 24.760 1.00 35.71 H new ATOM 0 HZ1 LYS B 819 -5.366 20.399 26.612 1.00 40.43 H new ATOM 0 HZ2 LYS B 819 -5.500 18.984 26.915 1.00 40.43 H new ATOM 0 HZ3 LYS B 819 -4.401 19.748 27.482 1.00 40.43 H new ATOM 2495 N THR B 820 -1.143 14.509 23.231 1.00 18.68 N ATOM 2496 CA THR B 820 -0.401 13.359 23.771 1.00 24.11 C ATOM 2497 C THR B 820 0.918 13.158 23.047 1.00 21.85 C ATOM 2498 O THR B 820 1.930 12.890 23.715 1.00 24.09 O ATOM 2499 CB THR B 820 -1.254 12.083 23.636 1.00 26.38 C ATOM 2500 OG1 THR B 820 -2.365 12.222 24.494 1.00 29.10 O ATOM 2501 CG2 THR B 820 -0.487 10.825 24.054 1.00 34.25 C ATOM 0 H THR B 820 -1.914 14.309 22.906 1.00 18.68 H new ATOM 0 HA THR B 820 -0.211 13.538 24.705 1.00 24.11 H new ATOM 0 HB THR B 820 -1.510 11.982 22.706 1.00 26.38 H new ATOM 0 HG1 THR B 820 -3.019 11.801 24.176 1.00 29.10 H new ATOM 0 HG21 THR B 820 -1.059 10.048 23.954 1.00 34.25 H new ATOM 0 HG22 THR B 820 0.297 10.723 23.493 1.00 34.25 H new ATOM 0 HG23 THR B 820 -0.213 10.906 24.981 1.00 34.25 H new ATOM 2502 N SER B 821 0.940 13.275 21.723 1.00 20.05 N ATOM 2503 CA SER B 821 2.164 13.054 20.995 1.00 21.66 C ATOM 2504 C SER B 821 3.233 14.053 21.331 1.00 24.92 C ATOM 2505 O SER B 821 4.445 13.665 21.545 1.00 22.76 O ATOM 2506 CB SER B 821 1.935 13.047 19.489 1.00 23.06 C ATOM 2507 OG SER B 821 1.043 12.003 19.188 1.00 25.25 O ATOM 0 H SER B 821 0.260 13.480 21.239 1.00 20.05 H new ATOM 0 HA SER B 821 2.473 12.178 21.274 1.00 21.66 H new ATOM 0 HB2 SER B 821 1.571 13.898 19.198 1.00 23.06 H new ATOM 0 HB3 SER B 821 2.774 12.921 19.019 1.00 23.06 H new ATOM 0 HG SER B 821 0.267 12.220 19.426 1.00 25.25 H new ATOM 2508 N LEU B 822 2.823 15.326 21.418 1.00 21.81 N ATOM 2509 CA LEU B 822 3.684 16.392 21.940 1.00 22.29 C ATOM 2510 C LEU B 822 4.188 16.184 23.326 1.00 24.28 C ATOM 2511 O LEU B 822 5.318 16.434 23.597 1.00 27.39 O ATOM 2512 CB LEU B 822 2.950 17.737 21.966 1.00 25.54 C ATOM 2513 CG LEU B 822 3.020 18.677 20.837 1.00 25.47 C ATOM 2514 CD1 LEU B 822 2.245 19.962 21.206 1.00 24.64 C ATOM 2515 CD2 LEU B 822 4.483 19.056 20.469 1.00 25.26 C ATOM 0 H LEU B 822 2.042 15.592 21.177 1.00 21.81 H new ATOM 0 HA LEU B 822 4.437 16.381 21.328 1.00 22.29 H new ATOM 0 HB2 LEU B 822 2.011 17.542 22.112 1.00 25.54 H new ATOM 0 HB3 LEU B 822 3.265 18.214 22.749 1.00 25.54 H new ATOM 0 HG LEU B 822 2.628 18.240 20.065 1.00 25.47 H new ATOM 0 HD11 LEU B 822 2.286 20.588 20.466 1.00 24.64 H new ATOM 0 HD12 LEU B 822 1.319 19.740 21.390 1.00 24.64 H new ATOM 0 HD13 LEU B 822 2.643 20.365 21.993 1.00 24.64 H new ATOM 0 HD21 LEU B 822 4.479 19.675 19.722 1.00 25.26 H new ATOM 0 HD22 LEU B 822 4.911 19.474 21.233 1.00 25.26 H new ATOM 0 HD23 LEU B 822 4.972 18.256 20.222 1.00 25.26 H new ATOM 2516 N ASN B 823 3.325 15.784 24.234 1.00 27.92 N ATOM 2517 CA ASN B 823 3.728 15.503 25.638 1.00 27.91 C ATOM 2518 C ASN B 823 4.728 14.322 25.677 1.00 29.49 C ATOM 2519 O ASN B 823 5.639 14.306 26.461 1.00 30.28 O ATOM 2520 CB ASN B 823 2.474 15.186 26.443 1.00 32.13 C ATOM 2521 CG ASN B 823 2.755 14.827 27.900 1.00 36.27 C ATOM 2522 OD1 ASN B 823 2.425 13.750 28.389 1.00 41.18 O ATOM 2523 ND2 ASN B 823 3.303 15.732 28.578 1.00 35.24 N ATOM 0 H ASN B 823 2.488 15.662 24.076 1.00 27.92 H new ATOM 0 HA ASN B 823 4.170 16.275 26.023 1.00 27.91 H new ATOM 0 HB2 ASN B 823 1.880 15.952 26.416 1.00 32.13 H new ATOM 0 HB3 ASN B 823 2.006 14.449 26.021 1.00 32.13 H new ATOM 0 HD21 ASN B 823 3.459 15.608 29.415 1.00 35.24 H new ATOM 0 HD22 ASN B 823 3.522 16.475 28.205 1.00 35.24 H new ATOM 2524 N GLU B 824 4.564 13.363 24.788 1.00 27.12 N ATOM 2525 CA GLU B 824 5.428 12.217 24.751 1.00 30.04 C ATOM 2526 C GLU B 824 6.680 12.441 23.914 1.00 27.30 C ATOM 2527 O GLU B 824 7.457 11.511 23.724 1.00 28.63 O ATOM 2528 CB GLU B 824 4.611 10.980 24.279 1.00 29.86 C ATOM 2529 CG GLU B 824 3.647 10.594 25.395 1.00 39.38 C ATOM 2530 CD GLU B 824 2.652 9.489 25.068 1.00 50.05 C ATOM 2531 OE1 GLU B 824 2.706 8.919 23.974 1.00 58.37 O ATOM 2532 OE2 GLU B 824 1.788 9.183 25.938 1.00 64.71 O ATOM 0 H GLU B 824 3.946 13.362 24.190 1.00 27.12 H new ATOM 0 HA GLU B 824 5.758 12.054 25.648 1.00 30.04 H new ATOM 0 HB2 GLU B 824 4.123 11.187 23.467 1.00 29.86 H new ATOM 0 HB3 GLU B 824 5.204 10.241 24.073 1.00 29.86 H new ATOM 0 HG2 GLU B 824 4.167 10.318 26.166 1.00 39.38 H new ATOM 0 HG3 GLU B 824 3.150 11.385 25.656 1.00 39.38 H new ATOM 2533 N GLN B 825 6.827 13.618 23.337 1.00 27.79 N ATOM 2534 CA GLN B 825 7.963 13.992 22.539 1.00 29.39 C ATOM 2535 C GLN B 825 8.096 13.140 21.305 1.00 31.25 C ATOM 2536 O GLN B 825 9.193 12.704 20.982 1.00 32.98 O ATOM 2537 CB GLN B 825 9.252 13.957 23.417 1.00 34.34 C ATOM 2538 CG GLN B 825 9.158 14.914 24.617 1.00 38.58 C ATOM 2539 CD GLN B 825 10.240 14.668 25.672 1.00 36.61 C ATOM 2540 OE1 GLN B 825 10.418 13.541 26.133 1.00 38.75 O ATOM 2541 NE2 GLN B 825 10.997 15.703 25.994 1.00 30.39 N ATOM 0 H GLN B 825 6.241 14.244 23.405 1.00 27.79 H new ATOM 0 HA GLN B 825 7.830 14.899 22.220 1.00 29.39 H new ATOM 0 HB2 GLN B 825 9.401 13.053 23.736 1.00 34.34 H new ATOM 0 HB3 GLN B 825 10.019 14.196 22.873 1.00 34.34 H new ATOM 0 HG2 GLN B 825 9.226 15.828 24.300 1.00 38.58 H new ATOM 0 HG3 GLN B 825 8.285 14.821 25.030 1.00 38.58 H new ATOM 0 HE21 GLN B 825 10.839 16.475 25.649 1.00 30.39 H new ATOM 0 HE22 GLN B 825 11.647 15.604 26.548 1.00 30.39 H new ATOM 2542 N MET B 826 6.968 12.835 20.662 1.00 29.00 N ATOM 2543 CA AMET B 826 6.942 11.981 19.470 0.59 30.48 C ATOM 2544 CA BMET B 826 6.942 11.980 19.473 0.41 29.89 C ATOM 2545 C MET B 826 7.340 12.727 18.210 1.00 29.39 C ATOM 2546 O MET B 826 7.599 12.112 17.224 1.00 32.45 O ATOM 2547 CB AMET B 826 5.572 11.350 19.280 0.59 32.38 C ATOM 2548 CB BMET B 826 5.572 11.333 19.298 0.41 30.97 C ATOM 2549 CG AMET B 826 5.118 10.426 20.408 0.59 34.63 C ATOM 2550 CG BMET B 826 5.178 10.441 20.468 0.41 32.34 C ATOM 2551 SD AMET B 826 6.224 9.007 20.681 0.59 41.06 S ATOM 2552 SD BMET B 826 3.638 9.513 20.328 0.41 35.38 S ATOM 2553 CE AMET B 826 5.979 8.070 19.158 0.59 39.29 C ATOM 2554 CE BMET B 826 3.656 8.878 18.651 0.41 35.87 C ATOM 0 H AMET B 826 6.193 13.118 20.905 0.59 29.00 H new ATOM 0 H BMET B 826 6.193 13.119 20.904 0.41 29.00 H new ATOM 0 HA AMET B 826 7.599 11.284 19.621 0.59 29.89 H new ATOM 0 HA BMET B 826 7.603 11.285 19.616 0.41 29.89 H new ATOM 0 HB2AMET B 826 4.917 12.058 19.178 0.59 30.97 H new ATOM 0 HB2BMET B 826 4.904 12.028 19.189 0.41 30.97 H new ATOM 0 HB3AMET B 826 5.576 10.846 18.451 0.59 30.97 H new ATOM 0 HB3BMET B 826 5.570 10.807 18.483 0.41 30.97 H new ATOM 0 HG2AMET B 826 5.054 10.938 21.229 0.59 32.34 H new ATOM 0 HG2BMET B 826 5.897 9.807 20.616 0.41 32.34 H new ATOM 0 HG3AMET B 826 4.227 10.098 20.208 0.59 32.34 H new ATOM 0 HG3BMET B 826 5.122 10.996 21.262 0.41 32.34 H new ATOM 0 HE1AMET B 826 6.398 7.199 19.242 0.59 35.87 H new ATOM 0 HE1BMET B 826 2.948 8.224 18.545 0.41 35.87 H new ATOM 0 HE2AMET B 826 5.029 7.957 18.997 0.59 35.87 H new ATOM 0 HE2BMET B 826 3.518 9.608 18.027 0.41 35.87 H new ATOM 0 HE3AMET B 826 6.378 8.550 18.415 0.59 35.87 H new ATOM 0 HE3BMET B 826 4.512 8.459 18.473 0.41 35.87 H new ATOM 2555 N TYR B 827 7.436 14.063 18.264 1.00 25.73 N ATOM 2556 CA TYR B 827 7.783 14.856 17.079 1.00 23.48 C ATOM 2557 C TYR B 827 9.237 15.262 17.157 1.00 24.83 C ATOM 2558 O TYR B 827 9.635 15.873 18.154 1.00 26.40 O ATOM 2559 CB TYR B 827 6.871 16.127 16.985 1.00 23.43 C ATOM 2560 CG TYR B 827 5.411 15.802 16.853 1.00 20.36 C ATOM 2561 CD1 TYR B 827 4.948 15.029 15.838 1.00 21.54 C ATOM 2562 CD2 TYR B 827 4.489 16.246 17.790 1.00 23.75 C ATOM 2563 CE1 TYR B 827 3.565 14.722 15.697 1.00 22.10 C ATOM 2564 CE2 TYR B 827 3.127 15.965 17.666 1.00 22.05 C ATOM 2565 CZ TYR B 827 2.666 15.244 16.607 1.00 21.85 C ATOM 2566 OH TYR B 827 1.330 14.910 16.534 1.00 25.01 O ATOM 0 H TYR B 827 7.304 14.526 18.976 1.00 25.73 H new ATOM 0 HA TYR B 827 7.640 14.319 16.284 1.00 23.48 H new ATOM 0 HB2 TYR B 827 7.004 16.672 17.776 1.00 23.43 H new ATOM 0 HB3 TYR B 827 7.147 16.660 16.223 1.00 23.43 H new ATOM 0 HD1 TYR B 827 5.551 14.690 15.217 1.00 21.54 H new ATOM 0 HD2 TYR B 827 4.785 16.743 18.518 1.00 23.75 H new ATOM 0 HE1 TYR B 827 3.271 14.178 15.002 1.00 22.10 H new ATOM 0 HE2 TYR B 827 2.531 16.272 18.311 1.00 22.05 H new ATOM 0 HH TYR B 827 1.204 14.402 15.877 1.00 25.01 H new ATOM 2567 N THR B 828 10.039 14.937 16.123 1.00 22.69 N ATOM 2568 CA THR B 828 11.462 15.422 16.089 1.00 24.71 C ATOM 2569 C THR B 828 11.662 16.716 15.431 1.00 22.42 C ATOM 2570 O THR B 828 12.640 17.407 15.706 1.00 24.71 O ATOM 2571 CB THR B 828 12.418 14.405 15.441 1.00 24.76 C ATOM 2572 OG1 THR B 828 11.879 13.992 14.201 1.00 24.23 O ATOM 2573 CG2 THR B 828 12.495 13.216 16.342 1.00 26.20 C ATOM 0 H THR B 828 9.801 14.456 15.451 1.00 22.69 H new ATOM 0 HA THR B 828 11.671 15.533 17.030 1.00 24.71 H new ATOM 0 HB THR B 828 13.294 14.799 15.305 1.00 24.76 H new ATOM 0 HG1 THR B 828 12.397 13.437 13.841 1.00 24.23 H new ATOM 0 HG21 THR B 828 13.093 12.556 15.957 1.00 26.20 H new ATOM 0 HG22 THR B 828 12.831 13.489 17.210 1.00 26.20 H new ATOM 0 HG23 THR B 828 11.611 12.830 16.445 1.00 26.20 H new ATOM 2574 N ARG B 829 10.736 17.073 14.549 1.00 23.46 N ATOM 2575 CA AARG B 829 10.783 18.310 13.804 0.49 23.68 C ATOM 2576 CA BARG B 829 10.789 18.332 13.852 0.51 24.80 C ATOM 2577 C ARG B 829 9.403 18.994 13.830 1.00 24.87 C ATOM 2578 O ARG B 829 8.392 18.325 13.985 1.00 22.79 O ATOM 2579 CB AARG B 829 11.209 18.009 12.340 0.49 24.61 C ATOM 2580 CB BARG B 829 11.327 18.097 12.420 0.51 28.04 C ATOM 2581 CG AARG B 829 12.646 17.435 12.214 0.49 23.88 C ATOM 2582 CG BARG B 829 12.821 17.685 12.405 0.51 28.38 C ATOM 2583 CD AARG B 829 13.049 17.053 10.758 0.49 25.02 C ATOM 2584 CD BARG B 829 13.387 17.503 10.989 0.51 33.55 C ATOM 2585 NE AARG B 829 14.466 16.633 10.766 0.49 25.78 N ATOM 2586 NE BARG B 829 14.723 16.891 11.093 0.51 34.18 N ATOM 2587 CZ AARG B 829 14.868 15.447 11.225 0.49 22.09 C ATOM 2588 CZ BARG B 829 15.881 17.489 10.886 0.51 30.91 C ATOM 2589 NH1AARG B 829 13.979 14.522 11.627 0.49 19.62 N ATOM 2590 NH1BARG B 829 16.992 16.789 11.070 0.51 32.44 N ATOM 2591 NH2AARG B 829 16.147 15.167 11.212 0.49 24.09 N ATOM 2592 NH2BARG B 829 15.957 18.743 10.484 0.51 31.73 N ATOM 0 H AARG B 829 10.050 16.588 14.367 0.49 23.46 H new ATOM 0 H BARG B 829 10.059 16.584 14.343 0.51 23.46 H new ATOM 0 HA AARG B 829 11.430 18.909 14.209 0.49 24.80 H new ATOM 0 HA BARG B 829 11.390 18.937 14.315 0.51 24.80 H new ATOM 0 HB2AARG B 829 10.582 17.378 11.952 0.49 28.04 H new ATOM 0 HB2BARG B 829 10.800 17.406 11.990 0.51 28.04 H new ATOM 0 HB3AARG B 829 11.149 18.825 11.820 0.49 28.04 H new ATOM 0 HB3BARG B 829 11.213 18.907 11.898 0.51 28.04 H new ATOM 0 HG2AARG B 829 13.277 18.089 12.554 0.49 28.38 H new ATOM 0 HG2BARG B 829 13.341 18.359 12.870 0.51 28.38 H new ATOM 0 HG3AARG B 829 12.721 16.649 12.778 0.49 28.38 H new ATOM 0 HG3BARG B 829 12.926 16.856 12.898 0.51 28.38 H new ATOM 0 HD2AARG B 829 12.485 16.336 10.428 0.49 33.55 H new ATOM 0 HD2BARG B 829 12.799 16.940 10.461 0.51 33.55 H new ATOM 0 HD3AARG B 829 12.924 17.809 10.163 0.49 33.55 H new ATOM 0 HD3BARG B 829 13.443 18.359 10.536 0.51 33.55 H new ATOM 0 HE AARG B 829 15.058 17.178 10.461 0.49 34.18 H new ATOM 0 HE BARG B 829 14.751 16.059 11.311 0.51 34.18 H new ATOM 0 HH11AARG B 829 13.137 14.691 11.590 0.49 32.44 H new ATOM 0 HH11BARG B 829 16.946 15.967 11.318 0.51 32.44 H new ATOM 0 HH12AARG B 829 14.253 13.762 11.921 0.49 32.44 H new ATOM 0 HH12BARG B 829 17.758 17.157 10.941 0.51 32.44 H new ATOM 0 HH21AARG B 829 16.710 15.743 10.911 0.49 31.73 H new ATOM 0 HH21BARG B 829 15.238 19.196 10.349 0.51 31.73 H new ATOM 0 HH22AARG B 829 16.424 14.407 11.504 0.49 31.73 H new ATOM 0 HH22BARG B 829 16.725 19.108 10.357 0.51 31.73 H new ATOM 2593 N VAL B 830 9.385 20.305 13.640 1.00 23.53 N ATOM 2594 CA VAL B 830 8.114 21.110 13.613 1.00 26.83 C ATOM 2595 C VAL B 830 7.183 20.508 12.545 1.00 28.04 C ATOM 2596 O VAL B 830 5.980 20.377 12.751 1.00 23.28 O ATOM 2597 CB VAL B 830 8.416 22.603 13.321 1.00 25.69 C ATOM 2598 CG1 VAL B 830 7.153 23.362 12.969 1.00 26.74 C ATOM 2599 CG2 VAL B 830 9.147 23.259 14.439 1.00 25.73 C ATOM 0 H VAL B 830 10.096 20.774 13.521 1.00 23.53 H new ATOM 0 HA VAL B 830 7.678 21.073 14.479 1.00 26.83 H new ATOM 0 HB VAL B 830 9.003 22.626 12.549 1.00 25.69 H new ATOM 0 HG11 VAL B 830 7.372 24.290 12.792 1.00 26.74 H new ATOM 0 HG12 VAL B 830 6.749 22.969 12.180 1.00 26.74 H new ATOM 0 HG13 VAL B 830 6.529 23.313 13.710 1.00 26.74 H new ATOM 0 HG21 VAL B 830 9.315 24.188 14.215 1.00 25.73 H new ATOM 0 HG22 VAL B 830 8.612 23.213 15.247 1.00 25.73 H new ATOM 0 HG23 VAL B 830 9.991 22.804 14.585 1.00 25.73 H new ATOM 2600 N GLU B 831 7.776 20.071 11.415 1.00 26.81 N ATOM 2601 CA GLU B 831 7.058 19.337 10.390 1.00 26.55 C ATOM 2602 C GLU B 831 6.140 18.218 10.853 1.00 25.33 C ATOM 2603 O GLU B 831 5.038 18.064 10.307 1.00 25.76 O ATOM 2604 CB GLU B 831 8.079 18.767 9.389 1.00 34.61 C ATOM 2605 CG GLU B 831 7.575 17.811 8.338 1.00 42.42 C ATOM 2606 CD GLU B 831 8.743 17.081 7.622 1.00 51.44 C ATOM 2607 OE1 GLU B 831 9.550 16.356 8.275 1.00 52.42 O ATOM 2608 OE2 GLU B 831 8.854 17.278 6.403 1.00 51.18 O ATOM 0 H GLU B 831 8.607 20.200 11.235 1.00 26.81 H new ATOM 0 HA GLU B 831 6.456 19.989 9.998 1.00 26.55 H new ATOM 0 HB2 GLU B 831 8.500 19.514 8.935 1.00 34.61 H new ATOM 0 HB3 GLU B 831 8.772 18.315 9.895 1.00 34.61 H new ATOM 0 HG2 GLU B 831 6.988 17.158 8.749 1.00 42.42 H new ATOM 0 HG3 GLU B 831 7.047 18.296 7.685 1.00 42.42 H new ATOM 2609 N GLY B 832 6.565 17.377 11.800 1.00 22.70 N ATOM 2610 CA GLY B 832 5.724 16.224 12.204 1.00 20.49 C ATOM 2611 C GLY B 832 4.433 16.734 12.878 1.00 21.21 C ATOM 2612 O GLY B 832 3.362 16.191 12.701 1.00 22.53 O ATOM 0 H GLY B 832 7.315 17.446 12.216 1.00 22.70 H new ATOM 0 HA2 GLY B 832 5.503 15.686 11.428 1.00 20.49 H new ATOM 0 HA3 GLY B 832 6.215 15.653 12.815 1.00 20.49 H new ATOM 2613 N PHE B 833 4.578 17.781 13.680 1.00 22.31 N ATOM 2614 CA PHE B 833 3.425 18.409 14.398 1.00 22.40 C ATOM 2615 C PHE B 833 2.476 19.093 13.396 1.00 21.99 C ATOM 2616 O PHE B 833 1.299 18.865 13.390 1.00 24.07 O ATOM 2617 CB PHE B 833 3.956 19.391 15.431 1.00 21.36 C ATOM 2618 CG PHE B 833 2.922 20.338 15.978 1.00 21.58 C ATOM 2619 CD1 PHE B 833 2.087 19.924 16.951 1.00 22.93 C ATOM 2620 CD2 PHE B 833 2.843 21.639 15.527 1.00 22.41 C ATOM 2621 CE1 PHE B 833 1.075 20.776 17.469 1.00 25.98 C ATOM 2622 CE2 PHE B 833 1.857 22.516 16.033 1.00 26.10 C ATOM 2623 CZ PHE B 833 0.971 22.057 17.004 1.00 23.37 C ATOM 0 H PHE B 833 5.335 18.159 13.835 1.00 22.31 H new ATOM 0 HA PHE B 833 2.912 17.726 14.858 1.00 22.40 H new ATOM 0 HB2 PHE B 833 4.343 18.892 16.167 1.00 21.36 H new ATOM 0 HB3 PHE B 833 4.673 19.908 15.031 1.00 21.36 H new ATOM 0 HD1 PHE B 833 2.175 19.063 17.291 1.00 22.93 H new ATOM 0 HD2 PHE B 833 3.444 21.942 14.885 1.00 22.41 H new ATOM 0 HE1 PHE B 833 0.488 20.464 18.119 1.00 25.98 H new ATOM 0 HE2 PHE B 833 1.801 23.390 15.721 1.00 26.10 H new ATOM 0 HZ PHE B 833 0.310 22.621 17.335 1.00 23.37 H new ATOM 2624 N VAL B 834 3.018 19.888 12.502 1.00 22.33 N ATOM 2625 CA VAL B 834 2.172 20.591 11.526 1.00 22.87 C ATOM 2626 C VAL B 834 1.449 19.605 10.637 1.00 26.12 C ATOM 2627 O VAL B 834 0.241 19.805 10.304 1.00 24.70 O ATOM 2628 CB VAL B 834 3.006 21.553 10.695 1.00 24.64 C ATOM 2629 CG1 VAL B 834 2.210 22.181 9.534 1.00 27.39 C ATOM 2630 CG2 VAL B 834 3.542 22.636 11.626 1.00 24.35 C ATOM 0 H VAL B 834 3.861 20.042 12.432 1.00 22.33 H new ATOM 0 HA VAL B 834 1.507 21.104 12.011 1.00 22.87 H new ATOM 0 HB VAL B 834 3.733 21.059 10.284 1.00 24.64 H new ATOM 0 HG11 VAL B 834 2.784 22.784 9.037 1.00 27.39 H new ATOM 0 HG12 VAL B 834 1.890 21.480 8.945 1.00 27.39 H new ATOM 0 HG13 VAL B 834 1.454 22.674 9.889 1.00 27.39 H new ATOM 0 HG21 VAL B 834 4.079 23.264 11.117 1.00 24.35 H new ATOM 0 HG22 VAL B 834 2.800 23.106 12.038 1.00 24.35 H new ATOM 0 HG23 VAL B 834 4.089 22.228 12.316 1.00 24.35 H new ATOM 2631 N GLN B 835 2.128 18.516 10.264 1.00 24.79 N ATOM 2632 CA GLN B 835 1.477 17.511 9.431 1.00 27.01 C ATOM 2633 C GLN B 835 0.290 16.832 10.094 1.00 24.06 C ATOM 2634 O GLN B 835 -0.748 16.607 9.485 1.00 24.35 O ATOM 2635 CB GLN B 835 2.469 16.434 8.957 1.00 32.13 C ATOM 2636 CG GLN B 835 3.364 16.967 7.865 1.00 39.52 C ATOM 2637 CD GLN B 835 4.490 16.018 7.440 1.00 47.73 C ATOM 2638 OE1 GLN B 835 4.739 14.962 8.046 1.00 48.15 O ATOM 2639 NE2 GLN B 835 5.167 16.403 6.350 1.00 53.94 N ATOM 0 H GLN B 835 2.944 18.346 10.477 1.00 24.79 H new ATOM 0 HA GLN B 835 1.140 18.009 8.670 1.00 27.01 H new ATOM 0 HB2 GLN B 835 3.009 16.135 9.705 1.00 32.13 H new ATOM 0 HB3 GLN B 835 1.982 15.661 8.632 1.00 32.13 H new ATOM 0 HG2 GLN B 835 2.820 17.172 7.089 1.00 39.52 H new ATOM 0 HG3 GLN B 835 3.757 17.802 8.164 1.00 39.52 H new ATOM 0 HE21 GLN B 835 4.966 17.141 5.957 1.00 53.94 H new ATOM 0 HE22 GLN B 835 5.803 15.912 6.043 1.00 53.94 H new ATOM 2640 N ASP B 836 0.427 16.493 11.356 1.00 24.23 N ATOM 2641 CA ASP B 836 -0.696 15.921 12.065 1.00 21.97 C ATOM 2642 C ASP B 836 -1.806 16.957 12.227 1.00 20.43 C ATOM 2643 O ASP B 836 -2.971 16.610 12.151 1.00 21.97 O ATOM 2644 CB ASP B 836 -0.263 15.410 13.441 1.00 23.06 C ATOM 2645 CG ASP B 836 0.348 14.026 13.387 1.00 28.83 C ATOM 2646 OD1 ASP B 836 0.376 13.439 12.289 1.00 29.43 O ATOM 2647 OD2 ASP B 836 0.718 13.494 14.472 1.00 31.05 O ATOM 0 H ASP B 836 1.148 16.583 11.816 1.00 24.23 H new ATOM 0 HA ASP B 836 -1.032 15.174 11.545 1.00 21.97 H new ATOM 0 HB2 ASP B 836 0.379 16.028 13.823 1.00 23.06 H new ATOM 0 HB3 ASP B 836 -1.031 15.397 14.033 1.00 23.06 H new ATOM 2648 N MET B 837 -1.489 18.183 12.549 1.00 20.42 N ATOM 2649 CA MET B 837 -2.568 19.190 12.671 1.00 22.42 C ATOM 2650 C MET B 837 -3.366 19.378 11.345 1.00 25.49 C ATOM 2651 O MET B 837 -4.619 19.345 11.332 1.00 25.49 O ATOM 2652 CB MET B 837 -1.994 20.523 13.095 1.00 22.13 C ATOM 2653 CG MET B 837 -1.468 20.634 14.526 1.00 22.67 C ATOM 2654 SD MET B 837 -2.710 20.297 15.754 1.00 23.71 S ATOM 2655 CE MET B 837 -3.394 21.987 15.692 1.00 27.33 C ATOM 0 H MET B 837 -0.692 18.468 12.701 1.00 20.42 H new ATOM 0 HA MET B 837 -3.183 18.858 13.344 1.00 22.42 H new ATOM 0 HB2 MET B 837 -1.269 20.744 12.490 1.00 22.13 H new ATOM 0 HB3 MET B 837 -2.680 21.198 12.974 1.00 22.13 H new ATOM 0 HG2 MET B 837 -0.730 20.016 14.642 1.00 22.67 H new ATOM 0 HG3 MET B 837 -1.115 21.527 14.667 1.00 22.67 H new ATOM 0 HE1 MET B 837 -3.950 22.140 16.472 1.00 27.33 H new ATOM 0 HE2 MET B 837 -2.668 22.630 15.681 1.00 27.33 H new ATOM 0 HE3 MET B 837 -3.929 22.091 14.889 1.00 27.33 H new ATOM 2656 N ARG B 838 -2.642 19.532 10.225 1.00 23.77 N ATOM 2657 CA ARG B 838 -3.260 19.622 8.914 1.00 25.16 C ATOM 2658 C ARG B 838 -4.048 18.422 8.539 1.00 26.61 C ATOM 2659 O ARG B 838 -5.188 18.537 7.951 1.00 25.47 O ATOM 2660 CB ARG B 838 -2.223 19.991 7.826 1.00 27.60 C ATOM 2661 CG ARG B 838 -1.693 21.396 8.013 1.00 27.65 C ATOM 2662 CD ARG B 838 -0.653 21.783 6.948 1.00 29.32 C ATOM 2663 NE ARG B 838 -0.293 23.187 7.071 1.00 28.28 N ATOM 2664 CZ ARG B 838 0.846 23.732 6.627 1.00 30.29 C ATOM 2665 NH1 ARG B 838 1.842 22.985 6.065 1.00 31.98 N ATOM 2666 NH2 ARG B 838 1.054 25.002 6.828 1.00 30.17 N ATOM 0 H ARG B 838 -1.784 19.586 10.215 1.00 23.77 H new ATOM 0 HA ARG B 838 -3.905 20.344 8.974 1.00 25.16 H new ATOM 0 HB2 ARG B 838 -1.486 19.361 7.853 1.00 27.60 H new ATOM 0 HB3 ARG B 838 -2.631 19.913 6.950 1.00 27.60 H new ATOM 0 HG2 ARG B 838 -2.432 22.024 7.981 1.00 27.65 H new ATOM 0 HG3 ARG B 838 -1.293 21.473 8.893 1.00 27.65 H new ATOM 0 HD2 ARG B 838 0.139 21.231 7.046 1.00 29.32 H new ATOM 0 HD3 ARG B 838 -1.010 21.612 6.063 1.00 29.32 H new ATOM 0 HE ARG B 838 -0.856 23.708 7.460 1.00 28.28 H new ATOM 0 HH11 ARG B 838 1.749 22.134 5.987 1.00 31.98 H new ATOM 0 HH12 ARG B 838 2.562 23.366 5.789 1.00 31.98 H new ATOM 0 HH21 ARG B 838 0.465 25.474 7.239 1.00 30.17 H new ATOM 0 HH22 ARG B 838 1.781 25.368 6.549 1.00 30.17 H new ATOM 2667 N LEU B 839 -3.557 17.248 8.940 1.00 25.65 N ATOM 2668 CA LEU B 839 -4.314 16.034 8.682 1.00 27.70 C ATOM 2669 C LEU B 839 -5.713 16.006 9.317 1.00 29.29 C ATOM 2670 O LEU B 839 -6.649 15.415 8.792 1.00 25.86 O ATOM 2671 CB LEU B 839 -3.547 14.844 9.167 1.00 28.35 C ATOM 2672 CG LEU B 839 -4.151 13.463 9.145 1.00 32.90 C ATOM 2673 CD1 LEU B 839 -4.437 13.008 7.709 1.00 37.13 C ATOM 2674 CD2 LEU B 839 -3.108 12.512 9.750 1.00 36.98 C ATOM 0 H LEU B 839 -2.809 17.138 9.351 1.00 25.65 H new ATOM 0 HA LEU B 839 -4.443 16.011 7.721 1.00 27.70 H new ATOM 0 HB2 LEU B 839 -2.729 14.804 8.647 1.00 28.35 H new ATOM 0 HB3 LEU B 839 -3.291 15.027 10.085 1.00 28.35 H new ATOM 0 HG LEU B 839 -4.986 13.463 9.639 1.00 32.90 H new ATOM 0 HD11 LEU B 839 -4.824 12.119 7.722 1.00 37.13 H new ATOM 0 HD12 LEU B 839 -5.059 13.625 7.292 1.00 37.13 H new ATOM 0 HD13 LEU B 839 -3.609 12.992 7.203 1.00 37.13 H new ATOM 0 HD21 LEU B 839 -3.459 11.608 9.755 1.00 36.98 H new ATOM 0 HD22 LEU B 839 -2.297 12.541 9.219 1.00 36.98 H new ATOM 0 HD23 LEU B 839 -2.909 12.786 10.659 1.00 36.98 H new ATOM 2675 N ILE B 840 -5.833 16.554 10.514 1.00 25.39 N ATOM 2676 CA ILE B 840 -7.169 16.636 11.153 1.00 25.03 C ATOM 2677 C ILE B 840 -8.197 17.310 10.219 1.00 22.88 C ATOM 2678 O ILE B 840 -9.319 16.839 10.069 1.00 25.38 O ATOM 2679 CB ILE B 840 -7.024 17.455 12.427 1.00 23.52 C ATOM 2680 CG1 ILE B 840 -6.289 16.610 13.468 1.00 22.27 C ATOM 2681 CG2 ILE B 840 -8.323 17.993 12.941 1.00 23.82 C ATOM 2682 CD1 ILE B 840 -5.916 17.368 14.728 1.00 23.17 C ATOM 0 H ILE B 840 -5.184 16.880 10.974 1.00 25.39 H new ATOM 0 HA ILE B 840 -7.490 15.741 11.346 1.00 25.03 H new ATOM 0 HB ILE B 840 -6.502 18.247 12.225 1.00 23.52 H new ATOM 0 HG12 ILE B 840 -6.847 15.854 13.710 1.00 22.27 H new ATOM 0 HG13 ILE B 840 -5.482 16.250 13.068 1.00 22.27 H new ATOM 0 HG21 ILE B 840 -8.164 18.503 13.751 1.00 23.82 H new ATOM 0 HG22 ILE B 840 -8.723 18.568 12.270 1.00 23.82 H new ATOM 0 HG23 ILE B 840 -8.924 17.257 13.136 1.00 23.82 H new ATOM 0 HD11 ILE B 840 -5.455 16.773 15.340 1.00 23.17 H new ATOM 0 HD12 ILE B 840 -5.334 18.109 14.499 1.00 23.17 H new ATOM 0 HD13 ILE B 840 -6.720 17.707 15.152 1.00 23.17 H new ATOM 2683 N PHE B 841 -7.835 18.458 9.671 1.00 24.11 N ATOM 2684 CA PHE B 841 -8.780 19.250 8.822 1.00 28.86 C ATOM 2685 C PHE B 841 -8.965 18.623 7.457 1.00 30.03 C ATOM 2686 O PHE B 841 -10.084 18.576 6.940 1.00 27.81 O ATOM 2687 CB PHE B 841 -8.319 20.689 8.768 1.00 29.67 C ATOM 2688 CG PHE B 841 -8.039 21.243 10.156 1.00 31.80 C ATOM 2689 CD1 PHE B 841 -9.083 21.342 11.087 1.00 29.30 C ATOM 2690 CD2 PHE B 841 -6.759 21.661 10.533 1.00 29.83 C ATOM 2691 CE1 PHE B 841 -8.852 21.822 12.371 1.00 32.93 C ATOM 2692 CE2 PHE B 841 -6.529 22.174 11.806 1.00 31.88 C ATOM 2693 CZ PHE B 841 -7.573 22.239 12.733 1.00 34.90 C ATOM 0 H PHE B 841 -7.057 18.812 9.765 1.00 24.11 H new ATOM 0 HA PHE B 841 -9.663 19.241 9.224 1.00 28.86 H new ATOM 0 HB2 PHE B 841 -7.517 20.752 8.226 1.00 29.67 H new ATOM 0 HB3 PHE B 841 -8.997 21.230 8.334 1.00 29.67 H new ATOM 0 HD1 PHE B 841 -9.942 21.083 10.842 1.00 29.30 H new ATOM 0 HD2 PHE B 841 -6.056 21.596 9.928 1.00 29.83 H new ATOM 0 HE1 PHE B 841 -9.548 21.865 12.986 1.00 32.93 H new ATOM 0 HE2 PHE B 841 -5.680 22.474 12.040 1.00 31.88 H new ATOM 0 HZ PHE B 841 -7.414 22.560 13.591 1.00 34.90 H new ATOM 2694 N HIS B 842 -7.924 17.949 6.969 1.00 28.12 N ATOM 2695 CA HIS B 842 -8.039 17.189 5.722 1.00 29.11 C ATOM 2696 C HIS B 842 -9.016 16.057 5.794 1.00 26.41 C ATOM 2697 O HIS B 842 -9.891 15.918 4.924 1.00 32.01 O ATOM 2698 CB HIS B 842 -6.662 16.677 5.240 1.00 33.87 C ATOM 2699 CG HIS B 842 -6.768 15.713 4.097 1.00 38.46 C ATOM 2700 ND1 HIS B 842 -6.615 16.105 2.788 1.00 40.91 N ATOM 2701 CD2 HIS B 842 -7.074 14.387 4.062 1.00 42.32 C ATOM 2702 CE1 HIS B 842 -6.807 15.072 1.991 1.00 42.19 C ATOM 2703 NE2 HIS B 842 -7.108 14.023 2.737 1.00 45.83 N ATOM 0 H HIS B 842 -7.149 17.918 7.340 1.00 28.12 H new ATOM 0 HA HIS B 842 -8.389 17.818 5.072 1.00 29.11 H new ATOM 0 HB2 HIS B 842 -6.117 17.433 4.971 1.00 33.87 H new ATOM 0 HB3 HIS B 842 -6.205 16.247 5.979 1.00 33.87 H new ATOM 0 HD2 HIS B 842 -7.230 13.834 4.793 1.00 42.32 H new ATOM 0 HE1 HIS B 842 -6.742 15.080 1.063 1.00 42.19 H new ATOM 0 HE2 HIS B 842 -7.295 13.238 2.440 1.00 45.83 H new ATOM 2704 N ASN B 843 -8.910 15.240 6.825 1.00 26.01 N ATOM 2705 CA ASN B 843 -9.889 14.204 7.097 1.00 23.95 C ATOM 2706 C ASN B 843 -11.323 14.663 7.252 1.00 25.67 C ATOM 2707 O ASN B 843 -12.254 13.914 6.867 1.00 29.69 O ATOM 2708 CB ASN B 843 -9.501 13.404 8.346 1.00 25.50 C ATOM 2709 CG ASN B 843 -8.268 12.513 8.104 1.00 30.02 C ATOM 2710 OD1 ASN B 843 -7.802 12.380 6.951 1.00 27.69 O ATOM 2711 ND2 ASN B 843 -7.727 11.937 9.171 1.00 24.43 N ATOM 0 H ASN B 843 -8.264 15.270 7.392 1.00 26.01 H new ATOM 0 HA ASN B 843 -9.867 13.659 6.295 1.00 23.95 H new ATOM 0 HB2 ASN B 843 -9.318 14.016 9.076 1.00 25.50 H new ATOM 0 HB3 ASN B 843 -10.249 12.851 8.620 1.00 25.50 H new ATOM 0 HD21 ASN B 843 -7.025 11.447 9.086 1.00 24.43 H new ATOM 0 HD22 ASN B 843 -8.078 12.054 9.947 1.00 24.43 H new ATOM 2712 N HIS B 844 -11.504 15.801 7.941 1.00 26.05 N ATOM 2713 CA HIS B 844 -12.847 16.399 8.137 1.00 27.61 C ATOM 2714 C HIS B 844 -13.505 16.731 6.757 1.00 27.35 C ATOM 2715 O HIS B 844 -14.619 16.329 6.474 1.00 28.10 O ATOM 2716 CB HIS B 844 -12.701 17.654 8.968 1.00 26.66 C ATOM 2717 CG HIS B 844 -13.978 18.341 9.235 1.00 26.98 C ATOM 2718 ND1 HIS B 844 -14.826 17.938 10.241 1.00 30.02 N ATOM 2719 CD2 HIS B 844 -14.567 19.391 8.630 1.00 28.11 C ATOM 2720 CE1 HIS B 844 -15.897 18.709 10.244 1.00 31.57 C ATOM 2721 NE2 HIS B 844 -15.776 19.587 9.259 1.00 32.29 N ATOM 0 H HIS B 844 -10.864 16.246 8.305 1.00 26.05 H new ATOM 0 HA HIS B 844 -13.422 15.767 8.597 1.00 27.61 H new ATOM 0 HB2 HIS B 844 -12.283 17.426 9.813 1.00 26.66 H new ATOM 0 HB3 HIS B 844 -12.103 18.266 8.512 1.00 26.66 H new ATOM 0 HD2 HIS B 844 -14.223 19.888 7.923 1.00 28.11 H new ATOM 0 HE1 HIS B 844 -16.612 18.647 10.835 1.00 31.57 H new ATOM 0 HE2 HIS B 844 -16.359 20.183 9.047 1.00 32.29 H new ATOM 2722 N LYS B 845 -12.790 17.471 5.957 1.00 28.19 N ATOM 2723 CA LYS B 845 -13.205 17.817 4.599 1.00 33.08 C ATOM 2724 C LYS B 845 -13.513 16.566 3.785 1.00 35.19 C ATOM 2725 O LYS B 845 -14.555 16.517 3.204 1.00 34.46 O ATOM 2726 CB LYS B 845 -12.155 18.681 3.950 1.00 36.98 C ATOM 2727 CG LYS B 845 -12.511 19.121 2.528 1.00 54.31 C ATOM 2728 CD LYS B 845 -11.424 19.907 1.746 1.00 64.04 C ATOM 2729 CE LYS B 845 -9.964 19.416 1.914 1.00 71.28 C ATOM 2730 NZ LYS B 845 -9.642 17.980 1.594 1.00 72.72 N ATOM 0 H LYS B 845 -12.028 17.802 6.179 1.00 28.19 H new ATOM 0 HA LYS B 845 -14.028 18.329 4.637 1.00 33.08 H new ATOM 0 HB2 LYS B 845 -12.013 19.469 4.497 1.00 36.98 H new ATOM 0 HB3 LYS B 845 -11.316 18.195 3.929 1.00 36.98 H new ATOM 0 HG2 LYS B 845 -12.740 18.330 2.015 1.00 54.31 H new ATOM 0 HG3 LYS B 845 -13.309 19.671 2.572 1.00 54.31 H new ATOM 0 HD2 LYS B 845 -11.648 19.878 0.803 1.00 64.04 H new ATOM 0 HD3 LYS B 845 -11.465 20.837 2.019 1.00 64.04 H new ATOM 0 HE2 LYS B 845 -9.400 19.975 1.357 1.00 71.28 H new ATOM 0 HE3 LYS B 845 -9.703 19.578 2.834 1.00 71.28 H new ATOM 0 HZ1 LYS B 845 -8.775 17.832 1.732 1.00 72.72 H new ATOM 0 HZ2 LYS B 845 -10.122 17.444 2.118 1.00 72.72 H new ATOM 0 HZ3 LYS B 845 -9.839 17.814 0.742 1.00 72.72 H new ATOM 2731 N GLU B 846 -12.682 15.508 3.830 1.00 34.50 N ATOM 2732 CA GLU B 846 -12.924 14.311 3.055 1.00 34.35 C ATOM 2733 C GLU B 846 -14.056 13.494 3.507 1.00 35.29 C ATOM 2734 O GLU B 846 -14.572 12.675 2.717 1.00 33.56 O ATOM 2735 CB GLU B 846 -11.693 13.357 2.964 1.00 37.19 C ATOM 2736 CG GLU B 846 -10.494 13.950 2.270 1.00 41.60 C ATOM 2737 CD GLU B 846 -10.754 14.200 0.804 1.00 48.22 C ATOM 2738 OE1 GLU B 846 -11.321 13.308 0.146 1.00 50.25 O ATOM 2739 OE2 GLU B 846 -10.439 15.314 0.328 1.00 57.07 O ATOM 0 H GLU B 846 -11.971 15.479 4.312 1.00 34.50 H new ATOM 0 HA GLU B 846 -13.129 14.688 2.185 1.00 34.35 H new ATOM 0 HB2 GLU B 846 -11.436 13.093 3.861 1.00 37.19 H new ATOM 0 HB3 GLU B 846 -11.957 12.550 2.496 1.00 37.19 H new ATOM 0 HG2 GLU B 846 -10.252 14.784 2.701 1.00 41.60 H new ATOM 0 HG3 GLU B 846 -9.737 13.351 2.366 1.00 41.60 H new ATOM 2740 N PHE B 847 -14.425 13.604 4.771 1.00 29.68 N ATOM 2741 CA PHE B 847 -15.570 12.865 5.249 1.00 28.21 C ATOM 2742 C PHE B 847 -16.912 13.596 4.994 1.00 29.10 C ATOM 2743 O PHE B 847 -17.910 12.942 4.715 1.00 27.55 O ATOM 2744 CB PHE B 847 -15.460 12.584 6.742 1.00 25.14 C ATOM 2745 CG PHE B 847 -16.550 11.740 7.274 1.00 23.14 C ATOM 2746 CD1 PHE B 847 -16.537 10.384 7.066 1.00 24.74 C ATOM 2747 CD2 PHE B 847 -17.581 12.303 7.990 1.00 25.28 C ATOM 2748 CE1 PHE B 847 -17.531 9.590 7.549 1.00 26.96 C ATOM 2749 CE2 PHE B 847 -18.583 11.523 8.512 1.00 28.12 C ATOM 2750 CZ PHE B 847 -18.578 10.158 8.285 1.00 31.10 C ATOM 0 H PHE B 847 -14.032 14.094 5.358 1.00 29.68 H new ATOM 0 HA PHE B 847 -15.569 12.036 4.746 1.00 28.21 H new ATOM 0 HB2 PHE B 847 -14.611 12.150 6.919 1.00 25.14 H new ATOM 0 HB3 PHE B 847 -15.452 13.427 7.221 1.00 25.14 H new ATOM 0 HD1 PHE B 847 -15.838 10.001 6.587 1.00 24.74 H new ATOM 0 HD2 PHE B 847 -17.599 13.223 8.122 1.00 25.28 H new ATOM 0 HE1 PHE B 847 -17.515 8.674 7.391 1.00 26.96 H new ATOM 0 HE2 PHE B 847 -19.262 11.910 9.016 1.00 28.12 H new ATOM 0 HZ PHE B 847 -19.263 9.624 8.618 1.00 31.10 H new ATOM 2751 N TYR B 848 -16.930 14.900 5.273 1.00 29.45 N ATOM 2752 CA TYR B 848 -18.160 15.693 5.240 1.00 30.11 C ATOM 2753 C TYR B 848 -18.409 16.203 3.810 1.00 35.88 C ATOM 2754 O TYR B 848 -19.526 16.410 3.472 1.00 34.40 O ATOM 2755 CB TYR B 848 -18.172 16.815 6.273 1.00 24.62 C ATOM 2756 CG TYR B 848 -18.415 16.253 7.652 1.00 24.72 C ATOM 2757 CD1 TYR B 848 -19.626 15.697 7.989 1.00 23.38 C ATOM 2758 CD2 TYR B 848 -17.368 16.127 8.582 1.00 26.87 C ATOM 2759 CE1 TYR B 848 -19.835 15.088 9.247 1.00 27.18 C ATOM 2760 CE2 TYR B 848 -17.576 15.529 9.847 1.00 25.55 C ATOM 2761 CZ TYR B 848 -18.799 15.000 10.159 1.00 25.35 C ATOM 2762 OH TYR B 848 -19.064 14.413 11.348 1.00 27.17 O ATOM 0 H TYR B 848 -16.229 15.350 5.487 1.00 29.45 H new ATOM 0 HA TYR B 848 -18.897 15.115 5.492 1.00 30.11 H new ATOM 0 HB2 TYR B 848 -17.326 17.289 6.255 1.00 24.62 H new ATOM 0 HB3 TYR B 848 -18.863 17.459 6.053 1.00 24.62 H new ATOM 0 HD1 TYR B 848 -20.324 15.722 7.375 1.00 23.38 H new ATOM 0 HD2 TYR B 848 -16.522 16.443 8.361 1.00 26.87 H new ATOM 0 HE1 TYR B 848 -20.672 14.745 9.462 1.00 27.18 H new ATOM 0 HE2 TYR B 848 -16.883 15.495 10.466 1.00 25.55 H new ATOM 0 HH TYR B 848 -19.665 13.835 11.248 1.00 27.17 H new ATOM 2763 N ARG B 849 -17.376 16.364 3.000 1.00 38.10 N ATOM 2764 CA ARG B 849 -17.502 16.561 1.525 1.00 40.56 C ATOM 2765 C ARG B 849 -18.462 17.732 1.222 1.00 43.65 C ATOM 2766 O ARG B 849 -18.130 18.871 1.555 1.00 47.23 O ATOM 2767 CB ARG B 849 -17.830 15.237 0.785 1.00 40.30 C ATOM 2768 CG ARG B 849 -16.859 14.087 1.135 1.00 43.32 C ATOM 2769 CD ARG B 849 -16.867 12.849 0.216 1.00 43.66 C ATOM 2770 NE ARG B 849 -16.155 13.129 -1.028 1.00 41.40 N ATOM 2771 CZ ARG B 849 -14.816 13.154 -1.205 1.00 45.93 C ATOM 2772 NH1 ARG B 849 -13.947 12.874 -0.225 1.00 39.64 N ATOM 2773 NH2 ARG B 849 -14.311 13.480 -2.404 1.00 45.02 N ATOM 0 H ARG B 849 -16.562 16.365 3.277 1.00 38.10 H new ATOM 0 HA ARG B 849 -16.641 16.822 1.163 1.00 40.56 H new ATOM 0 HB2 ARG B 849 -18.735 14.966 1.005 1.00 40.30 H new ATOM 0 HB3 ARG B 849 -17.805 15.393 -0.172 1.00 40.30 H new ATOM 0 HG2 ARG B 849 -15.958 14.447 1.145 1.00 43.32 H new ATOM 0 HG3 ARG B 849 -17.057 13.792 2.038 1.00 43.32 H new ATOM 0 HD2 ARG B 849 -16.452 12.100 0.671 1.00 43.66 H new ATOM 0 HD3 ARG B 849 -17.781 12.591 0.020 1.00 43.66 H new ATOM 0 HE ARG B 849 -16.638 13.295 -1.720 1.00 41.40 H new ATOM 0 HH11 ARG B 849 -14.235 12.667 0.559 1.00 39.64 H new ATOM 0 HH12 ARG B 849 -13.101 12.901 -0.379 1.00 39.64 H new ATOM 0 HH21 ARG B 849 -14.839 13.672 -3.055 1.00 45.02 H new ATOM 0 HH22 ARG B 849 -13.459 13.497 -2.522 1.00 45.02 H new ATOM 2774 N GLU B 850 -19.640 17.459 0.667 1.00 42.12 N ATOM 2775 CA AGLU B 850 -20.575 18.524 0.223 0.44 44.29 C ATOM 2776 CA BGLU B 850 -20.592 18.504 0.224 0.56 46.95 C ATOM 2777 C GLU B 850 -21.353 19.216 1.366 1.00 44.84 C ATOM 2778 O GLU B 850 -21.772 20.387 1.224 1.00 39.78 O ATOM 2779 CB AGLU B 850 -21.566 17.981 -0.834 0.44 46.31 C ATOM 2780 CB BGLU B 850 -21.595 17.924 -0.810 0.56 52.63 C ATOM 2781 CG AGLU B 850 -21.233 18.345 -2.274 0.44 46.97 C ATOM 2782 CG BGLU B 850 -22.636 16.911 -0.298 0.56 57.07 C ATOM 2783 CD AGLU B 850 -19.761 18.294 -2.586 0.44 47.99 C ATOM 2784 CD BGLU B 850 -22.188 15.455 -0.388 0.56 61.28 C ATOM 2785 OE1AGLU B 850 -19.176 19.369 -2.812 0.44 51.12 O ATOM 2786 OE1BGLU B 850 -22.493 14.800 -1.406 0.56 66.89 O ATOM 2787 OE2AGLU B 850 -19.186 17.189 -2.624 0.44 52.47 O ATOM 2788 OE2BGLU B 850 -21.535 14.964 0.555 0.56 61.49 O ATOM 0 H AGLU B 850 -19.929 16.660 0.533 0.44 42.12 H new ATOM 0 H BGLU B 850 -19.921 16.657 0.532 0.56 42.12 H new ATOM 0 HA AGLU B 850 -20.009 19.208 -0.168 0.44 46.95 H new ATOM 0 HA BGLU B 850 -20.043 19.189 -0.188 0.56 46.95 H new ATOM 0 HB2AGLU B 850 -21.601 17.015 -0.759 0.44 52.63 H new ATOM 0 HB2BGLU B 850 -22.072 18.666 -1.213 0.56 52.63 H new ATOM 0 HB3AGLU B 850 -22.453 18.314 -0.627 0.44 52.63 H new ATOM 0 HB3BGLU B 850 -21.084 17.498 -1.516 0.56 52.63 H new ATOM 0 HG2AGLU B 850 -21.703 17.740 -2.869 0.44 57.07 H new ATOM 0 HG2BGLU B 850 -22.846 17.118 0.626 0.56 57.07 H new ATOM 0 HG3AGLU B 850 -21.564 19.238 -2.458 0.44 57.07 H new ATOM 0 HG3BGLU B 850 -23.455 17.019 -0.806 0.56 57.07 H new ATOM 2789 N ASP B 851 -21.538 18.505 2.487 1.00 42.01 N ATOM 2790 CA ASP B 851 -22.247 19.022 3.647 1.00 40.39 C ATOM 2791 C ASP B 851 -21.653 20.313 4.168 1.00 38.42 C ATOM 2792 O ASP B 851 -20.439 20.530 4.211 1.00 34.91 O ATOM 2793 CB ASP B 851 -22.277 17.973 4.743 1.00 45.60 C ATOM 2794 CG ASP B 851 -23.268 18.291 5.883 1.00 40.76 C ATOM 2795 OD1 ASP B 851 -23.164 19.334 6.556 1.00 36.84 O ATOM 2796 OD2 ASP B 851 -24.091 17.408 6.162 1.00 45.45 O ATOM 0 H ASP B 851 -21.249 17.701 2.588 1.00 42.01 H new ATOM 0 HA ASP B 851 -23.152 19.226 3.364 1.00 40.39 H new ATOM 0 HB2 ASP B 851 -22.510 17.116 4.353 1.00 45.60 H new ATOM 0 HB3 ASP B 851 -21.386 17.882 5.116 1.00 45.60 H new ATOM 2797 N LYS B 852 -22.529 21.225 4.536 1.00 33.81 N ATOM 2798 CA LYS B 852 -22.066 22.515 5.024 1.00 35.44 C ATOM 2799 C LYS B 852 -21.147 22.434 6.248 1.00 29.18 C ATOM 2800 O LYS B 852 -20.388 23.405 6.530 1.00 30.91 O ATOM 2801 CB LYS B 852 -23.239 23.441 5.297 1.00 37.87 C ATOM 2802 CG LYS B 852 -24.239 22.881 6.307 1.00 42.68 C ATOM 2803 CD LYS B 852 -25.444 23.809 6.470 1.00 50.53 C ATOM 2804 CE LYS B 852 -26.325 23.371 7.650 1.00 53.67 C ATOM 2805 NZ LYS B 852 -27.727 23.895 7.604 1.00 50.75 N ATOM 0 H LYS B 852 -23.383 21.125 4.514 1.00 33.81 H new ATOM 0 HA LYS B 852 -21.521 22.881 4.310 1.00 35.44 H new ATOM 0 HB2 LYS B 852 -22.902 24.290 5.624 1.00 37.87 H new ATOM 0 HB3 LYS B 852 -23.700 23.621 4.463 1.00 37.87 H new ATOM 0 HG2 LYS B 852 -24.539 22.006 6.016 1.00 42.68 H new ATOM 0 HG3 LYS B 852 -23.802 22.761 7.165 1.00 42.68 H new ATOM 0 HD2 LYS B 852 -25.138 24.719 6.611 1.00 50.53 H new ATOM 0 HD3 LYS B 852 -25.968 23.809 5.654 1.00 50.53 H new ATOM 0 HE2 LYS B 852 -26.354 22.402 7.675 1.00 53.67 H new ATOM 0 HE3 LYS B 852 -25.909 23.664 8.476 1.00 53.67 H new ATOM 0 HZ1 LYS B 852 -28.177 23.603 8.314 1.00 50.75 H new ATOM 0 HZ2 LYS B 852 -27.712 24.785 7.608 1.00 50.75 H new ATOM 0 HZ3 LYS B 852 -28.127 23.609 6.862 1.00 50.75 H new ATOM 2806 N PHE B 853 -21.217 21.310 6.961 1.00 28.67 N ATOM 2807 CA PHE B 853 -20.405 21.082 8.188 1.00 30.23 C ATOM 2808 C PHE B 853 -18.882 21.080 7.882 1.00 29.21 C ATOM 2809 O PHE B 853 -18.074 21.366 8.735 1.00 25.06 O ATOM 2810 CB PHE B 853 -20.867 19.807 8.873 1.00 30.37 C ATOM 2811 CG PHE B 853 -20.311 19.604 10.265 1.00 30.90 C ATOM 2812 CD1 PHE B 853 -20.599 20.505 11.277 1.00 28.38 C ATOM 2813 CD2 PHE B 853 -19.525 18.480 10.578 1.00 29.70 C ATOM 2814 CE1 PHE B 853 -20.126 20.305 12.552 1.00 29.31 C ATOM 2815 CE2 PHE B 853 -19.039 18.272 11.874 1.00 28.13 C ATOM 2816 CZ PHE B 853 -19.323 19.201 12.860 1.00 30.93 C ATOM 0 H PHE B 853 -21.732 20.652 6.757 1.00 28.67 H new ATOM 0 HA PHE B 853 -20.546 21.821 8.801 1.00 30.23 H new ATOM 0 HB2 PHE B 853 -21.836 19.813 8.922 1.00 30.37 H new ATOM 0 HB3 PHE B 853 -20.615 19.049 8.323 1.00 30.37 H new ATOM 0 HD1 PHE B 853 -21.118 21.254 11.092 1.00 28.38 H new ATOM 0 HD2 PHE B 853 -19.325 17.864 9.911 1.00 29.70 H new ATOM 0 HE1 PHE B 853 -20.343 20.913 13.221 1.00 29.31 H new ATOM 0 HE2 PHE B 853 -18.531 17.518 12.070 1.00 28.13 H new ATOM 0 HZ PHE B 853 -18.983 19.093 13.719 1.00 30.93 H new ATOM 2817 N THR B 854 -18.523 20.901 6.615 1.00 30.87 N ATOM 2818 CA ATHR B 854 -17.122 21.034 6.120 0.45 30.03 C ATOM 2819 CA BTHR B 854 -17.129 21.006 6.181 0.55 30.07 C ATOM 2820 C THR B 854 -16.562 22.366 6.490 1.00 28.05 C ATOM 2821 O THR B 854 -15.366 22.516 6.695 1.00 27.27 O ATOM 2822 CB ATHR B 854 -16.991 20.909 4.555 0.45 31.98 C ATOM 2823 CB BTHR B 854 -17.036 20.736 4.661 0.55 31.60 C ATOM 2824 OG1ATHR B 854 -15.694 20.440 4.203 0.45 31.77 O ATOM 2825 OG1BTHR B 854 -18.064 21.479 3.989 0.55 42.25 O ATOM 2826 CG2ATHR B 854 -17.160 22.277 3.809 0.45 33.74 C ATOM 2827 CG2BTHR B 854 -17.259 19.307 4.386 0.55 27.80 C ATOM 0 H ATHR B 854 -19.084 20.695 5.997 0.45 30.87 H new ATOM 0 H BTHR B 854 -19.076 20.716 5.983 0.55 30.87 H new ATOM 0 HA ATHR B 854 -16.638 20.304 6.537 0.45 30.07 H new ATOM 0 HA BTHR B 854 -16.610 20.345 6.665 0.55 30.07 H new ATOM 0 HB ATHR B 854 -17.697 20.299 4.290 0.45 31.60 H new ATOM 0 HB BTHR B 854 -16.156 21.000 4.350 0.55 31.60 H new ATOM 0 HG1ATHR B 854 -15.636 20.376 3.367 0.45 42.25 H new ATOM 0 HG1BTHR B 854 -18.770 21.025 3.968 0.55 42.25 H new ATOM 0 HG21ATHR B 854 -17.070 22.138 2.853 0.45 27.80 H new ATOM 0 HG21BTHR B 854 -17.199 19.148 3.431 0.55 27.80 H new ATOM 0 HG22ATHR B 854 -18.037 22.644 4.001 0.45 27.80 H new ATOM 0 HG22BTHR B 854 -16.586 18.780 4.844 0.55 27.80 H new ATOM 0 HG23ATHR B 854 -16.478 22.897 4.111 0.45 27.80 H new ATOM 0 HG23BTHR B 854 -18.140 19.050 4.701 0.55 27.80 H new ATOM 2828 N ARG B 855 -17.426 23.387 6.512 1.00 27.77 N ATOM 2829 CA ARG B 855 -16.965 24.732 6.784 1.00 27.79 C ATOM 2830 C ARG B 855 -16.288 24.852 8.185 1.00 27.47 C ATOM 2831 O ARG B 855 -15.393 25.676 8.323 1.00 27.41 O ATOM 2832 CB ARG B 855 -18.130 25.675 6.653 1.00 33.88 C ATOM 2833 CG ARG B 855 -17.813 27.126 6.827 1.00 40.35 C ATOM 2834 CD ARG B 855 -19.060 27.965 6.501 1.00 50.23 C ATOM 2835 NE ARG B 855 -18.896 29.389 6.890 1.00 60.60 N ATOM 2836 CZ ARG B 855 -19.442 30.014 7.957 1.00 62.41 C ATOM 2837 NH1 ARG B 855 -20.262 29.403 8.839 1.00 57.72 N ATOM 2838 NH2 ARG B 855 -19.184 31.316 8.125 1.00 60.10 N ATOM 0 H ARG B 855 -18.271 23.314 6.373 1.00 27.77 H new ATOM 0 HA ARG B 855 -16.281 24.966 6.137 1.00 27.79 H new ATOM 0 HB2 ARG B 855 -18.529 25.551 5.777 1.00 33.88 H new ATOM 0 HB3 ARG B 855 -18.801 25.427 7.308 1.00 33.88 H new ATOM 0 HG2 ARG B 855 -17.525 27.297 7.737 1.00 40.35 H new ATOM 0 HG3 ARG B 855 -17.080 27.379 6.245 1.00 40.35 H new ATOM 0 HD2 ARG B 855 -19.245 27.910 5.550 1.00 50.23 H new ATOM 0 HD3 ARG B 855 -19.828 27.592 6.961 1.00 50.23 H new ATOM 0 HE ARG B 855 -18.398 29.870 6.379 1.00 60.60 H new ATOM 0 HH11 ARG B 855 -20.461 28.573 8.737 1.00 57.72 H new ATOM 0 HH12 ARG B 855 -20.585 29.844 9.503 1.00 57.72 H new ATOM 0 HH21 ARG B 855 -18.683 31.731 7.562 1.00 60.10 H new ATOM 0 HH22 ARG B 855 -19.519 31.738 8.796 1.00 60.10 H new ATOM 2839 N LEU B 856 -16.696 24.030 9.163 1.00 24.79 N ATOM 2840 CA LEU B 856 -16.065 24.048 10.523 1.00 31.08 C ATOM 2841 C LEU B 856 -14.557 23.727 10.424 1.00 28.17 C ATOM 2842 O LEU B 856 -13.747 24.378 11.072 1.00 29.40 O ATOM 2843 CB LEU B 856 -16.735 23.074 11.517 1.00 29.35 C ATOM 2844 CG LEU B 856 -17.968 23.579 12.297 1.00 36.80 C ATOM 2845 CD1 LEU B 856 -17.635 24.855 13.073 1.00 37.19 C ATOM 2846 CD2 LEU B 856 -19.101 23.868 11.324 1.00 38.97 C ATOM 0 H LEU B 856 -17.329 23.455 9.073 1.00 24.79 H new ATOM 0 HA LEU B 856 -16.193 24.945 10.869 1.00 31.08 H new ATOM 0 HB2 LEU B 856 -16.998 22.280 11.026 1.00 29.35 H new ATOM 0 HB3 LEU B 856 -16.065 22.799 12.163 1.00 29.35 H new ATOM 0 HG LEU B 856 -18.236 22.891 12.926 1.00 36.80 H new ATOM 0 HD11 LEU B 856 -18.421 25.155 13.555 1.00 37.19 H new ATOM 0 HD12 LEU B 856 -16.920 24.674 13.703 1.00 37.19 H new ATOM 0 HD13 LEU B 856 -17.353 25.546 12.454 1.00 37.19 H new ATOM 0 HD21 LEU B 856 -19.876 24.185 11.814 1.00 38.97 H new ATOM 0 HD22 LEU B 856 -18.819 24.547 10.691 1.00 38.97 H new ATOM 0 HD23 LEU B 856 -19.332 23.056 10.846 1.00 38.97 H new ATOM 2847 N GLY B 857 -14.225 22.760 9.578 1.00 30.83 N ATOM 2848 CA GLY B 857 -12.813 22.360 9.325 1.00 30.04 C ATOM 2849 C GLY B 857 -12.013 23.510 8.750 1.00 31.47 C ATOM 2850 O GLY B 857 -10.928 23.799 9.222 1.00 31.56 O ATOM 0 H GLY B 857 -14.801 22.308 9.127 1.00 30.83 H new ATOM 0 HA2 GLY B 857 -12.405 22.061 10.153 1.00 30.04 H new ATOM 0 HA3 GLY B 857 -12.792 21.609 8.711 1.00 30.04 H new ATOM 2851 N ILE B 858 -12.609 24.234 7.790 1.00 31.08 N ATOM 2852 CA ILE B 858 -12.000 25.391 7.199 1.00 29.62 C ATOM 2853 C ILE B 858 -11.812 26.503 8.205 1.00 31.64 C ATOM 2854 O ILE B 858 -10.772 27.181 8.214 1.00 29.28 O ATOM 2855 CB ILE B 858 -12.850 25.911 5.941 1.00 36.77 C ATOM 2856 CG1 ILE B 858 -12.718 24.936 4.763 1.00 39.09 C ATOM 2857 CG2 ILE B 858 -12.379 27.310 5.489 1.00 34.75 C ATOM 2858 CD1 ILE B 858 -13.927 24.850 3.846 1.00 47.63 C ATOM 0 H ILE B 858 -13.387 24.050 7.473 1.00 31.08 H new ATOM 0 HA ILE B 858 -11.121 25.123 6.888 1.00 29.62 H new ATOM 0 HB ILE B 858 -13.778 25.964 6.219 1.00 36.77 H new ATOM 0 HG12 ILE B 858 -11.948 25.195 4.233 1.00 39.09 H new ATOM 0 HG13 ILE B 858 -12.535 24.051 5.115 1.00 39.09 H new ATOM 0 HG21 ILE B 858 -12.908 27.600 4.729 1.00 34.75 H new ATOM 0 HG22 ILE B 858 -12.489 27.940 6.218 1.00 34.75 H new ATOM 0 HG23 ILE B 858 -11.444 27.270 5.235 1.00 34.75 H new ATOM 0 HD11 ILE B 858 -13.750 24.213 3.136 1.00 47.63 H new ATOM 0 HD12 ILE B 858 -14.700 24.560 4.355 1.00 47.63 H new ATOM 0 HD13 ILE B 858 -14.103 25.722 3.460 1.00 47.63 H new ATOM 2859 N GLN B 859 -12.835 26.743 9.036 1.00 28.68 N ATOM 2860 CA GLN B 859 -12.691 27.783 10.049 1.00 28.64 C ATOM 2861 C GLN B 859 -11.538 27.509 11.110 1.00 27.13 C ATOM 2862 O GLN B 859 -10.742 28.358 11.425 1.00 26.06 O ATOM 2863 CB GLN B 859 -14.043 27.970 10.729 1.00 30.42 C ATOM 2864 CG GLN B 859 -15.097 28.593 9.798 1.00 35.92 C ATOM 2865 CD GLN B 859 -16.484 28.663 10.425 1.00 40.39 C ATOM 2866 OE1 GLN B 859 -16.962 27.731 11.049 1.00 42.11 O ATOM 2867 NE2 GLN B 859 -17.112 29.782 10.271 1.00 43.67 N ATOM 0 H GLN B 859 -13.590 26.331 9.029 1.00 28.68 H new ATOM 0 HA GLN B 859 -12.413 28.598 9.602 1.00 28.64 H new ATOM 0 HB2 GLN B 859 -14.364 27.110 11.044 1.00 30.42 H new ATOM 0 HB3 GLN B 859 -13.932 28.535 11.510 1.00 30.42 H new ATOM 0 HG2 GLN B 859 -14.814 29.488 9.551 1.00 35.92 H new ATOM 0 HG3 GLN B 859 -15.144 28.075 8.979 1.00 35.92 H new ATOM 0 HE21 GLN B 859 -16.748 30.421 9.825 1.00 43.67 H new ATOM 0 HE22 GLN B 859 -17.893 29.887 10.614 1.00 43.67 H new ATOM 2868 N VAL B 860 -11.518 26.319 11.680 1.00 26.23 N ATOM 2869 CA VAL B 860 -10.521 26.004 12.690 1.00 28.95 C ATOM 2870 C VAL B 860 -9.161 25.923 11.989 1.00 26.76 C ATOM 2871 O VAL B 860 -8.175 26.399 12.546 1.00 24.32 O ATOM 2872 CB VAL B 860 -10.906 24.713 13.458 1.00 27.30 C ATOM 2873 CG1 VAL B 860 -9.858 24.387 14.512 1.00 28.12 C ATOM 2874 CG2 VAL B 860 -12.254 24.968 14.169 1.00 24.24 C ATOM 0 H VAL B 860 -12.067 25.682 11.500 1.00 26.23 H new ATOM 0 HA VAL B 860 -10.473 26.695 13.369 1.00 28.95 H new ATOM 0 HB VAL B 860 -10.967 23.972 12.836 1.00 27.30 H new ATOM 0 HG11 VAL B 860 -10.113 23.578 14.983 1.00 28.12 H new ATOM 0 HG12 VAL B 860 -8.998 24.254 14.083 1.00 28.12 H new ATOM 0 HG13 VAL B 860 -9.794 25.121 15.143 1.00 28.12 H new ATOM 0 HG21 VAL B 860 -12.518 24.173 14.658 1.00 24.24 H new ATOM 0 HG22 VAL B 860 -12.159 25.710 14.786 1.00 24.24 H new ATOM 0 HG23 VAL B 860 -12.933 25.181 13.510 1.00 24.24 H new ATOM 2875 N GLN B 861 -9.109 25.385 10.752 1.00 27.76 N ATOM 2876 CA GLN B 861 -7.797 25.377 10.049 1.00 30.18 C ATOM 2877 C GLN B 861 -7.258 26.788 9.882 1.00 28.96 C ATOM 2878 O GLN B 861 -6.027 27.075 10.072 1.00 26.38 O ATOM 2879 CB GLN B 861 -7.799 24.611 8.746 1.00 32.92 C ATOM 2880 CG GLN B 861 -6.356 24.564 8.214 1.00 37.31 C ATOM 2881 CD GLN B 861 -6.040 23.548 7.120 1.00 43.79 C ATOM 2882 OE1 GLN B 861 -6.906 22.825 6.615 1.00 44.01 O ATOM 2883 NE2 GLN B 861 -4.731 23.504 6.738 1.00 46.86 N ATOM 0 H GLN B 861 -9.771 25.041 10.324 1.00 27.76 H new ATOM 0 HA GLN B 861 -7.190 24.886 10.624 1.00 30.18 H new ATOM 0 HB2 GLN B 861 -8.139 23.713 8.882 1.00 32.92 H new ATOM 0 HB3 GLN B 861 -8.383 25.041 8.102 1.00 32.92 H new ATOM 0 HG2 GLN B 861 -6.133 25.446 7.877 1.00 37.31 H new ATOM 0 HG3 GLN B 861 -5.766 24.389 8.964 1.00 37.31 H new ATOM 0 HE21 GLN B 861 -4.156 24.023 7.112 1.00 46.86 H new ATOM 0 HE22 GLN B 861 -4.481 22.958 6.123 1.00 46.86 H new ATOM 2884 N ASP B 862 -8.147 27.739 9.579 1.00 31.30 N ATOM 2885 CA AASP B 862 -7.666 29.093 9.414 0.50 31.37 C ATOM 2886 CA BASP B 862 -7.704 29.126 9.431 0.50 32.29 C ATOM 2887 C ASP B 862 -7.141 29.697 10.708 1.00 30.52 C ATOM 2888 O ASP B 862 -6.212 30.493 10.692 1.00 28.99 O ATOM 2889 CB AASP B 862 -8.690 29.943 8.674 0.50 37.31 C ATOM 2890 CB BASP B 862 -8.814 30.045 8.951 0.50 39.66 C ATOM 2891 CG AASP B 862 -8.491 29.857 7.174 0.50 37.58 C ATOM 2892 CG BASP B 862 -8.299 31.446 8.668 0.50 42.19 C ATOM 2893 OD1AASP B 862 -8.901 28.855 6.545 0.50 38.53 O ATOM 2894 OD1BASP B 862 -7.215 31.571 8.031 0.50 47.14 O ATOM 2895 OD2AASP B 862 -7.829 30.771 6.643 0.50 43.71 O ATOM 2896 OD2BASP B 862 -8.935 32.418 9.128 0.50 49.41 O ATOM 0 H AASP B 862 -8.992 27.622 9.471 0.50 31.30 H new ATOM 0 H BASP B 862 -8.988 27.607 9.458 0.50 31.30 H new ATOM 0 HA AASP B 862 -6.881 29.070 8.845 0.50 32.29 H new ATOM 0 HA BASP B 862 -7.004 29.088 8.761 0.50 32.29 H new ATOM 0 HB2AASP B 862 -9.585 29.647 8.902 0.50 39.66 H new ATOM 0 HB2BASP B 862 -9.213 29.678 8.147 0.50 39.66 H new ATOM 0 HB3AASP B 862 -8.615 30.867 8.960 0.50 39.66 H new ATOM 0 HB3BASP B 862 -9.513 30.086 9.622 0.50 39.66 H new ATOM 2897 N ILE B 863 -7.694 29.288 11.838 1.00 28.03 N ATOM 2898 CA ILE B 863 -7.156 29.743 13.150 1.00 28.64 C ATOM 2899 C ILE B 863 -5.772 29.104 13.310 1.00 24.90 C ATOM 2900 O ILE B 863 -4.813 29.763 13.697 1.00 25.72 O ATOM 2901 CB ILE B 863 -8.061 29.202 14.288 1.00 32.16 C ATOM 2902 CG1 ILE B 863 -9.497 29.799 14.177 1.00 37.88 C ATOM 2903 CG2 ILE B 863 -7.377 29.296 15.649 1.00 30.76 C ATOM 2904 CD1 ILE B 863 -9.457 31.279 14.418 1.00 43.02 C ATOM 0 H ILE B 863 -8.369 28.757 11.887 1.00 28.03 H new ATOM 0 HA ILE B 863 -7.118 30.711 13.189 1.00 28.64 H new ATOM 0 HB ILE B 863 -8.194 28.247 14.183 1.00 32.16 H new ATOM 0 HG12 ILE B 863 -9.864 29.617 13.298 1.00 37.88 H new ATOM 0 HG13 ILE B 863 -10.083 29.374 14.823 1.00 37.88 H new ATOM 0 HG21 ILE B 863 -7.970 28.950 16.334 1.00 30.76 H new ATOM 0 HG22 ILE B 863 -6.559 28.775 15.637 1.00 30.76 H new ATOM 0 HG23 ILE B 863 -7.166 30.223 15.842 1.00 30.76 H new ATOM 0 HD11 ILE B 863 -10.353 31.643 14.347 1.00 43.02 H new ATOM 0 HD12 ILE B 863 -9.107 31.453 15.306 1.00 43.02 H new ATOM 0 HD13 ILE B 863 -8.885 31.699 13.757 1.00 43.02 H new ATOM 2905 N PHE B 864 -5.679 27.814 12.991 1.00 23.08 N ATOM 2906 CA PHE B 864 -4.310 27.153 13.119 1.00 24.57 C ATOM 2907 C PHE B 864 -3.268 27.918 12.278 1.00 23.35 C ATOM 2908 O PHE B 864 -2.220 28.375 12.764 1.00 26.98 O ATOM 2909 CB PHE B 864 -4.423 25.711 12.654 1.00 23.80 C ATOM 2910 CG PHE B 864 -3.106 25.054 12.533 1.00 26.02 C ATOM 2911 CD1 PHE B 864 -2.309 24.891 13.673 1.00 25.80 C ATOM 2912 CD2 PHE B 864 -2.594 24.735 11.274 1.00 27.77 C ATOM 2913 CE1 PHE B 864 -1.024 24.299 13.549 1.00 26.94 C ATOM 2914 CE2 PHE B 864 -1.332 24.159 11.147 1.00 29.13 C ATOM 2915 CZ PHE B 864 -0.546 23.958 12.271 1.00 25.29 C ATOM 0 H PHE B 864 -6.322 27.312 12.717 1.00 23.08 H new ATOM 0 HA PHE B 864 -4.017 27.173 14.044 1.00 24.57 H new ATOM 0 HB2 PHE B 864 -4.973 25.214 13.280 1.00 23.80 H new ATOM 0 HB3 PHE B 864 -4.875 25.685 11.796 1.00 23.80 H new ATOM 0 HD1 PHE B 864 -2.619 25.168 14.505 1.00 25.80 H new ATOM 0 HD2 PHE B 864 -3.100 24.909 10.513 1.00 27.77 H new ATOM 0 HE1 PHE B 864 -0.505 24.139 14.304 1.00 26.94 H new ATOM 0 HE2 PHE B 864 -1.017 23.909 10.308 1.00 29.13 H new ATOM 0 HZ PHE B 864 0.305 23.594 12.179 1.00 25.29 H new ATOM 2916 N GLU B 865 -3.602 28.115 11.012 1.00 25.50 N ATOM 2917 CA GLU B 865 -2.625 28.667 10.046 1.00 28.38 C ATOM 2918 C GLU B 865 -2.242 30.090 10.373 1.00 29.40 C ATOM 2919 O GLU B 865 -1.075 30.427 10.298 1.00 26.38 O ATOM 2920 CB GLU B 865 -3.128 28.572 8.591 1.00 30.67 C ATOM 2921 CG GLU B 865 -3.386 27.163 8.041 1.00 31.63 C ATOM 2922 CD GLU B 865 -2.127 26.273 7.842 1.00 34.92 C ATOM 2923 OE1 GLU B 865 -1.032 26.847 7.879 1.00 35.61 O ATOM 2924 OE2 GLU B 865 -2.249 25.004 7.650 1.00 28.88 O ATOM 0 H GLU B 865 -4.377 27.942 10.682 1.00 25.50 H new ATOM 0 HA GLU B 865 -1.831 28.116 10.127 1.00 28.38 H new ATOM 0 HB2 GLU B 865 -3.952 29.079 8.522 1.00 30.67 H new ATOM 0 HB3 GLU B 865 -2.478 29.007 8.017 1.00 30.67 H new ATOM 0 HG2 GLU B 865 -3.993 26.705 8.643 1.00 31.63 H new ATOM 0 HG3 GLU B 865 -3.841 27.245 7.188 1.00 31.63 H new ATOM 2925 N LYS B 866 -3.174 30.940 10.791 1.00 30.22 N ATOM 2926 CA LYS B 866 -2.774 32.300 11.211 1.00 33.09 C ATOM 2927 C LYS B 866 -1.896 32.300 12.397 1.00 28.09 C ATOM 2928 O LYS B 866 -0.962 33.111 12.506 1.00 28.38 O ATOM 2929 CB LYS B 866 -3.964 33.189 11.629 1.00 42.39 C ATOM 2930 CG LYS B 866 -4.889 33.607 10.527 1.00 55.95 C ATOM 2931 CD LYS B 866 -6.190 34.188 11.109 1.00 67.09 C ATOM 2932 CE LYS B 866 -6.856 35.186 10.169 1.00 67.68 C ATOM 2933 NZ LYS B 866 -7.374 34.522 8.955 1.00 66.43 N ATOM 0 H LYS B 866 -4.015 30.768 10.842 1.00 30.22 H new ATOM 0 HA LYS B 866 -2.328 32.643 10.421 1.00 33.09 H new ATOM 0 HB2 LYS B 866 -4.481 32.714 12.298 1.00 42.39 H new ATOM 0 HB3 LYS B 866 -3.615 33.988 12.055 1.00 42.39 H new ATOM 0 HG2 LYS B 866 -4.455 34.269 9.966 1.00 55.95 H new ATOM 0 HG3 LYS B 866 -5.093 32.846 9.962 1.00 55.95 H new ATOM 0 HD2 LYS B 866 -6.808 33.464 11.298 1.00 67.09 H new ATOM 0 HD3 LYS B 866 -5.997 34.624 11.954 1.00 67.09 H new ATOM 0 HE2 LYS B 866 -7.583 35.632 10.631 1.00 67.68 H new ATOM 0 HE3 LYS B 866 -6.217 35.871 9.917 1.00 67.68 H new ATOM 0 HZ1 LYS B 866 -7.651 35.138 8.375 1.00 66.43 H new ATOM 0 HZ2 LYS B 866 -6.728 34.035 8.584 1.00 66.43 H new ATOM 0 HZ3 LYS B 866 -8.055 33.993 9.174 1.00 66.43 H new ATOM 2934 N ASN B 867 -2.199 31.441 13.364 1.00 27.71 N ATOM 2935 CA ASN B 867 -1.343 31.421 14.573 1.00 24.56 C ATOM 2936 C ASN B 867 0.047 30.859 14.239 1.00 24.64 C ATOM 2937 O ASN B 867 1.063 31.290 14.765 1.00 27.93 O ATOM 2938 CB ASN B 867 -2.043 30.647 15.719 1.00 26.03 C ATOM 2939 CG ASN B 867 -3.110 31.499 16.437 1.00 25.96 C ATOM 2940 OD1 ASN B 867 -2.771 32.361 17.214 1.00 30.25 O ATOM 2941 ND2 ASN B 867 -4.359 31.279 16.139 1.00 26.18 N ATOM 0 H ASN B 867 -2.856 30.886 13.356 1.00 27.71 H new ATOM 0 HA ASN B 867 -1.210 32.329 14.887 1.00 24.56 H new ATOM 0 HB2 ASN B 867 -2.459 29.848 15.359 1.00 26.03 H new ATOM 0 HB3 ASN B 867 -1.378 30.356 16.363 1.00 26.03 H new ATOM 0 HD21 ASN B 867 -4.977 31.756 16.499 1.00 26.18 H new ATOM 0 HD22 ASN B 867 -4.565 30.657 15.582 1.00 26.18 H new ATOM 2942 N PHE B 868 0.093 29.872 13.364 1.00 24.87 N ATOM 2943 CA PHE B 868 1.384 29.289 12.945 1.00 25.03 C ATOM 2944 C PHE B 868 2.296 30.350 12.337 1.00 26.99 C ATOM 2945 O PHE B 868 3.430 30.503 12.744 1.00 23.92 O ATOM 2946 CB PHE B 868 1.077 28.181 11.932 1.00 26.19 C ATOM 2947 CG PHE B 868 2.294 27.536 11.294 1.00 29.13 C ATOM 2948 CD1 PHE B 868 3.306 26.969 12.078 1.00 28.89 C ATOM 2949 CD2 PHE B 868 2.424 27.489 9.898 1.00 32.08 C ATOM 2950 CE1 PHE B 868 4.425 26.379 11.488 1.00 31.46 C ATOM 2951 CE2 PHE B 868 3.548 26.890 9.311 1.00 35.39 C ATOM 2952 CZ PHE B 868 4.536 26.330 10.107 1.00 30.00 C ATOM 0 H PHE B 868 -0.599 29.518 12.995 1.00 24.87 H new ATOM 0 HA PHE B 868 1.855 28.926 13.712 1.00 25.03 H new ATOM 0 HB2 PHE B 868 0.558 27.492 12.375 1.00 26.19 H new ATOM 0 HB3 PHE B 868 0.518 28.550 11.230 1.00 26.19 H new ATOM 0 HD1 PHE B 868 3.232 26.986 13.005 1.00 28.89 H new ATOM 0 HD2 PHE B 868 1.761 27.857 9.359 1.00 32.08 H new ATOM 0 HE1 PHE B 868 5.096 26.019 12.021 1.00 31.46 H new ATOM 0 HE2 PHE B 868 3.631 26.868 8.385 1.00 35.39 H new ATOM 0 HZ PHE B 868 5.273 25.921 9.714 1.00 30.00 H new ATOM 2953 N ARG B 869 1.791 31.108 11.376 1.00 27.62 N ATOM 2954 CA ARG B 869 2.568 32.245 10.770 1.00 33.22 C ATOM 2955 C ARG B 869 2.958 33.307 11.790 1.00 33.37 C ATOM 2956 O ARG B 869 4.065 33.787 11.810 1.00 34.37 O ATOM 2957 CB ARG B 869 1.807 32.863 9.578 1.00 34.21 C ATOM 2958 CG ARG B 869 1.528 31.843 8.482 1.00 36.74 C ATOM 2959 CD ARG B 869 0.978 32.499 7.227 1.00 40.85 C ATOM 2960 NE ARG B 869 -0.283 33.210 7.483 1.00 43.56 N ATOM 2961 CZ ARG B 869 -1.509 32.700 7.319 1.00 46.01 C ATOM 2962 NH1 ARG B 869 -1.703 31.441 6.896 1.00 42.65 N ATOM 2963 NH2 ARG B 869 -2.562 33.459 7.598 1.00 47.52 N ATOM 0 H ARG B 869 1.005 31.001 11.045 1.00 27.62 H new ATOM 0 HA ARG B 869 3.398 31.868 10.439 1.00 33.22 H new ATOM 0 HB2 ARG B 869 0.968 33.237 9.891 1.00 34.21 H new ATOM 0 HB3 ARG B 869 2.325 33.596 9.211 1.00 34.21 H new ATOM 0 HG2 ARG B 869 2.346 31.368 8.267 1.00 36.74 H new ATOM 0 HG3 ARG B 869 0.894 31.184 8.807 1.00 36.74 H new ATOM 0 HD2 ARG B 869 1.633 33.121 6.875 1.00 40.85 H new ATOM 0 HD3 ARG B 869 0.835 31.823 6.546 1.00 40.85 H new ATOM 0 HE ARG B 869 -0.228 34.022 7.762 1.00 43.56 H new ATOM 0 HH11 ARG B 869 -1.028 30.937 6.722 1.00 42.65 H new ATOM 0 HH12 ARG B 869 -2.502 31.138 6.799 1.00 42.65 H new ATOM 0 HH21 ARG B 869 -2.449 34.264 7.879 1.00 47.52 H new ATOM 0 HH22 ARG B 869 -3.357 33.146 7.498 1.00 47.52 H new ATOM 2964 N ASN B 870 2.078 33.620 12.718 1.00 35.62 N ATOM 2965 CA ASN B 870 2.437 34.599 13.729 1.00 35.35 C ATOM 2966 C ASN B 870 3.472 34.108 14.715 1.00 35.62 C ATOM 2967 O ASN B 870 4.397 34.824 15.070 1.00 35.40 O ATOM 2968 CB ASN B 870 1.193 34.973 14.504 1.00 39.09 C ATOM 2969 CG ASN B 870 1.458 36.021 15.522 1.00 51.24 C ATOM 2970 OD1 ASN B 870 1.377 35.768 16.725 1.00 69.18 O ATOM 2971 ND2 ASN B 870 1.841 37.194 15.066 1.00 61.15 N ATOM 0 H ASN B 870 1.287 33.290 12.784 1.00 35.62 H new ATOM 0 HA ASN B 870 2.824 35.354 13.258 1.00 35.35 H new ATOM 0 HB2 ASN B 870 0.513 35.288 13.888 1.00 39.09 H new ATOM 0 HB3 ASN B 870 0.837 34.183 14.941 1.00 39.09 H new ATOM 0 HD21 ASN B 870 2.047 37.822 15.616 1.00 61.15 H new ATOM 0 HD22 ASN B 870 1.885 37.332 14.218 1.00 61.15 H new ATOM 2972 N ILE B 871 3.293 32.892 15.200 1.00 34.71 N ATOM 2973 CA ILE B 871 4.181 32.357 16.252 1.00 34.00 C ATOM 2974 C ILE B 871 5.586 32.120 15.717 1.00 33.76 C ATOM 2975 O ILE B 871 6.555 32.391 16.425 1.00 32.73 O ATOM 2976 CB ILE B 871 3.596 31.080 16.862 1.00 33.63 C ATOM 2977 CG1 ILE B 871 2.358 31.479 17.660 1.00 32.88 C ATOM 2978 CG2 ILE B 871 4.621 30.366 17.782 1.00 36.93 C ATOM 2979 CD1 ILE B 871 1.429 30.309 17.987 1.00 32.24 C ATOM 0 H ILE B 871 2.672 32.354 14.945 1.00 34.71 H new ATOM 0 HA ILE B 871 4.245 33.021 16.956 1.00 34.00 H new ATOM 0 HB ILE B 871 3.368 30.455 16.156 1.00 33.63 H new ATOM 0 HG12 ILE B 871 2.639 31.899 18.488 1.00 32.88 H new ATOM 0 HG13 ILE B 871 1.861 32.145 17.159 1.00 32.88 H new ATOM 0 HG21 ILE B 871 4.221 29.563 18.151 1.00 36.93 H new ATOM 0 HG22 ILE B 871 5.407 30.127 17.267 1.00 36.93 H new ATOM 0 HG23 ILE B 871 4.877 30.961 18.504 1.00 36.93 H new ATOM 0 HD11 ILE B 871 0.667 30.632 18.493 1.00 32.24 H new ATOM 0 HD12 ILE B 871 1.120 29.901 17.163 1.00 32.24 H new ATOM 0 HD13 ILE B 871 1.910 29.651 18.513 1.00 32.24 H new ATOM 2980 N PHE B 872 5.681 31.595 14.489 1.00 32.02 N ATOM 2981 CA PHE B 872 6.980 31.275 13.867 1.00 34.25 C ATOM 2982 C PHE B 872 7.489 32.349 12.895 1.00 39.07 C ATOM 2983 O PHE B 872 8.492 32.132 12.203 1.00 40.48 O ATOM 2984 CB PHE B 872 6.884 29.910 13.157 1.00 33.49 C ATOM 2985 CG PHE B 872 6.814 28.720 14.119 1.00 32.30 C ATOM 2986 CD1 PHE B 872 7.964 28.126 14.589 1.00 33.53 C ATOM 2987 CD2 PHE B 872 5.601 28.209 14.557 1.00 32.44 C ATOM 2988 CE1 PHE B 872 7.922 27.044 15.472 1.00 29.66 C ATOM 2989 CE2 PHE B 872 5.547 27.108 15.421 1.00 31.16 C ATOM 2990 CZ PHE B 872 6.729 26.523 15.868 1.00 29.93 C ATOM 0 H PHE B 872 5.001 31.415 13.994 1.00 32.02 H new ATOM 0 HA PHE B 872 7.632 31.242 14.584 1.00 34.25 H new ATOM 0 HB2 PHE B 872 6.097 29.904 12.590 1.00 33.49 H new ATOM 0 HB3 PHE B 872 7.653 29.802 12.576 1.00 33.49 H new ATOM 0 HD1 PHE B 872 8.789 28.453 14.312 1.00 33.53 H new ATOM 0 HD2 PHE B 872 4.809 28.605 14.272 1.00 32.44 H new ATOM 0 HE1 PHE B 872 8.715 26.677 15.791 1.00 29.66 H new ATOM 0 HE2 PHE B 872 4.725 26.769 15.695 1.00 31.16 H new ATOM 0 HZ PHE B 872 6.703 25.784 16.432 1.00 29.93 H new ATOM 2991 N ALA B 873 6.796 33.500 12.868 1.00 38.60 N ATOM 2992 CA ALA B 873 7.138 34.694 12.101 1.00 41.06 C ATOM 2993 C ALA B 873 7.376 34.388 10.655 1.00 39.00 C ATOM 2994 O ALA B 873 8.446 34.643 10.148 1.00 38.55 O ATOM 2995 CB ALA B 873 8.340 35.411 12.726 1.00 41.44 C ATOM 0 H ALA B 873 6.075 33.602 13.325 1.00 38.60 H new ATOM 0 HA ALA B 873 6.375 35.291 12.136 1.00 41.06 H new ATOM 0 HB1 ALA B 873 8.553 36.201 12.204 1.00 41.44 H new ATOM 0 HB2 ALA B 873 8.124 35.673 13.635 1.00 41.44 H new ATOM 0 HB3 ALA B 873 9.104 34.814 12.735 1.00 41.44 H new ATOM 2996 N ILE B 874 6.395 33.784 10.004 1.00 42.73 N ATOM 2997 CA ILE B 874 6.559 33.318 8.609 1.00 46.69 C ATOM 2998 C ILE B 874 6.212 34.502 7.726 1.00 57.95 C ATOM 2999 O ILE B 874 5.185 35.151 7.999 1.00 52.18 O ATOM 3000 CB ILE B 874 5.546 32.223 8.247 1.00 45.38 C ATOM 3001 CG1 ILE B 874 5.676 31.016 9.195 1.00 50.32 C ATOM 3002 CG2 ILE B 874 5.614 31.862 6.766 1.00 43.64 C ATOM 3003 CD1 ILE B 874 6.537 29.899 8.726 1.00 50.63 C ATOM 0 H ILE B 874 5.620 33.628 10.342 1.00 42.73 H new ATOM 0 HA ILE B 874 7.459 32.974 8.497 1.00 46.69 H new ATOM 0 HB ILE B 874 4.651 32.571 8.382 1.00 45.38 H new ATOM 0 HG12 ILE B 874 6.023 31.332 10.044 1.00 50.32 H new ATOM 0 HG13 ILE B 874 4.788 30.665 9.364 1.00 50.32 H new ATOM 0 HG21 ILE B 874 4.963 31.169 6.571 1.00 43.64 H new ATOM 0 HG22 ILE B 874 5.419 32.648 6.232 1.00 43.64 H new ATOM 0 HG23 ILE B 874 6.503 31.539 6.552 1.00 43.64 H new ATOM 0 HD11 ILE B 874 6.549 29.196 9.395 1.00 50.63 H new ATOM 0 HD12 ILE B 874 6.185 29.547 7.893 1.00 50.63 H new ATOM 0 HD13 ILE B 874 7.440 30.224 8.584 1.00 50.63 H new ATOM 3004 N GLN B 875 7.024 34.764 6.687 1.00 65.24 N ATOM 3005 CA GLN B 875 6.705 35.729 5.602 1.00 75.81 C ATOM 3006 C GLN B 875 5.187 35.798 5.216 1.00 91.83 C ATOM 3007 O GLN B 875 4.527 34.755 5.089 1.00 93.38 O ATOM 3008 CB GLN B 875 7.540 35.393 4.348 1.00 75.48 C ATOM 3009 CG GLN B 875 7.344 33.973 3.758 1.00 79.80 C ATOM 3010 CD GLN B 875 7.374 33.920 2.210 1.00 84.67 C ATOM 3011 OE1 GLN B 875 8.167 34.606 1.559 1.00 89.90 O ATOM 3012 NE2 GLN B 875 6.514 33.098 1.624 1.00 80.61 N ATOM 0 H GLN B 875 7.788 34.382 6.587 1.00 65.24 H new ATOM 0 HA GLN B 875 6.931 36.605 5.952 1.00 75.81 H new ATOM 0 HB2 GLN B 875 7.330 36.042 3.658 1.00 75.48 H new ATOM 0 HB3 GLN B 875 8.478 35.506 4.567 1.00 75.48 H new ATOM 0 HG2 GLN B 875 8.038 33.391 4.105 1.00 79.80 H new ATOM 0 HG3 GLN B 875 6.496 33.619 4.067 1.00 79.80 H new ATOM 0 HE21 GLN B 875 5.972 32.631 2.101 1.00 80.61 H new ATOM 0 HE22 GLN B 875 6.498 33.032 0.767 1.00 80.61 H new ATOM 3013 N GLU B 876 4.641 37.013 5.039 1.00106.87 N ATOM 3014 CA GLU B 876 3.202 37.209 4.691 1.00106.53 C ATOM 3015 C GLU B 876 2.940 37.088 3.177 1.00108.23 C ATOM 3016 O GLU B 876 3.481 36.204 2.492 1.00 99.41 O ATOM 3017 CB GLU B 876 2.678 38.563 5.209 1.00 97.48 C ATOM 0 H GLU B 876 5.084 37.746 5.115 1.00106.87 H new ATOM 0 HA GLU B 876 2.717 36.494 5.133 1.00106.53 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.317 7.809 4.204 1.00 30.07 ZN2+ HETATM 3020 ZN ZN A 902 22.512 -6.449 2.803 1.00 36.20 ZN2+ HETATM 3021 ZN ZN A 903 34.433 -20.826 14.443 0.43 91.96 ZN2+ HETATM 3022 O1 MES A 904 19.313 32.112 23.613 0.59 36.87 O HETATM 3023 C2 MES A 904 18.742 31.782 24.869 0.59 35.96 C HETATM 3024 C3 MES A 904 18.792 30.278 25.016 0.59 35.05 C HETATM 3025 N4 MES A 904 17.928 29.643 24.020 0.59 35.13 N HETATM 3026 C5 MES A 904 18.157 30.143 22.637 0.59 35.19 C HETATM 3027 C6 MES A 904 18.570 31.620 22.493 0.59 36.05 C HETATM 3028 C7 MES A 904 17.952 28.141 24.030 0.59 34.16 C HETATM 3029 C8 MES A 904 18.100 27.488 25.405 0.59 32.18 C HETATM 3030 S MES A 904 17.342 25.998 25.626 0.59 31.06 S HETATM 3031 O1S MES A 904 17.966 25.186 26.670 0.59 30.37 O HETATM 3032 O2S MES A 904 17.311 25.263 24.353 0.59 31.12 O HETATM 3033 O3S MES A 904 15.954 26.285 26.081 0.59 31.72 O HETATM 0 HN4 MES A 904 17.141 29.881 24.271 0.59 35.13 H new HETATM 0 H82 MES A 904 19.046 27.375 25.586 0.59 32.18 H new HETATM 0 H81 MES A 904 17.756 28.104 26.071 0.59 32.18 H new HETATM 0 H72 MES A 904 17.132 27.818 23.624 0.59 34.16 H new HETATM 0 H71 MES A 904 18.684 27.842 23.468 0.59 34.16 H new HETATM 0 H62 MES A 904 17.774 32.162 22.378 0.59 36.05 H new HETATM 0 H61 MES A 904 19.103 31.723 21.689 0.59 36.05 H new HETATM 0 H52 MES A 904 18.845 29.595 22.227 0.59 35.19 H new HETATM 0 H51 MES A 904 17.343 30.005 22.127 0.59 35.19 H new HETATM 0 H32 MES A 904 19.704 29.966 24.908 0.59 35.05 H new HETATM 0 H31 MES A 904 18.509 30.024 25.908 0.59 35.05 H new HETATM 0 H22 MES A 904 19.231 32.211 25.588 0.59 35.96 H new HETATM 0 H21 MES A 904 17.827 32.099 24.920 0.59 35.96 H new HETATM 3034 C1 EDO A 905 32.029 -0.516 31.953 1.00 77.60 C HETATM 3035 O1 EDO A 905 30.656 -0.142 31.771 1.00 83.01 O HETATM 3036 C2 EDO A 905 32.140 -1.942 32.441 1.00 72.89 C HETATM 3037 O2 EDO A 905 33.275 -2.600 31.837 1.00 61.52 O HETATM 0 HO2 EDO A 905 33.177 -3.433 31.890 1.00 61.52 H new HETATM 0 HO1 EDO A 905 30.323 -0.594 31.147 1.00 83.01 H new HETATM 0 H22 EDO A 905 32.230 -1.952 33.407 1.00 72.89 H new HETATM 0 H21 EDO A 905 31.327 -2.426 32.227 1.00 72.89 H new HETATM 0 H12 EDO A 905 32.508 -0.419 31.115 1.00 77.60 H new HETATM 0 H11 EDO A 905 32.449 0.082 32.591 1.00 77.60 H new HETATM 3038 ZN ZN B 901 -10.373 25.297 30.844 1.00 25.63 ZN2+ HETATM 3039 ZN ZN B 902 0.864 34.598 32.127 1.00 30.72 ZN2+ HETATM 3040 C1 EDO B 903 12.839 26.315 28.465 1.00 59.52 C HETATM 3041 O1 EDO B 903 11.558 26.382 29.100 1.00 53.40 O HETATM 3042 C2 EDO B 903 12.675 26.240 26.951 1.00 58.53 C HETATM 3043 O2 EDO B 903 11.859 27.319 26.485 1.00 55.23 O HETATM 0 HO2 EDO B 903 11.361 27.583 27.108 1.00 55.23 H new HETATM 0 HO1 EDO B 903 11.176 25.636 29.041 1.00 53.40 H new HETATM 0 H22 EDO B 903 13.545 26.276 26.523 1.00 58.53 H new HETATM 0 H21 EDO B 903 12.273 25.392 26.705 1.00 58.53 H new HETATM 0 H12 EDO B 903 13.365 27.095 28.701 1.00 59.52 H new HETATM 0 H11 EDO B 903 13.324 25.538 28.783 1.00 59.52 H new HETATM 3044 O HOH A1001 15.977 22.880 27.476 1.00166.32 O HETATM 3045 O HOH A1002 45.101 1.272 23.183 1.00 43.27 O HETATM 3046 O HOH A1003 19.010 5.069 29.066 1.00 51.44 O HETATM 3047 O HOH A1004 34.786 4.757 6.775 1.00 36.96 O HETATM 3048 O HOH A1005 19.601 25.444 33.168 1.00 58.13 O HETATM 3049 O HOH A1006 19.352 -0.190 27.580 1.00 59.30 O HETATM 3050 O HOH A1007 36.510 0.585 29.995 1.00 52.41 O HETATM 3051 O HOH A1008 39.390 -10.083 24.442 1.00 47.63 O HETATM 3052 O HOH A1009 46.094 -7.174 17.834 1.00 59.58 O HETATM 3053 O HOH A1010 30.897 21.156 13.467 1.00 34.50 O HETATM 3054 O HOH A1011 16.116 15.581 34.765 1.00 59.17 O HETATM 3055 O HOH A1012 19.681 15.760 33.931 1.00 41.89 O HETATM 3056 O HOH A1013 22.897 8.630 -2.108 1.00 34.73 O HETATM 3057 O HOH A1014 29.301 14.788 30.983 1.00 34.91 O HETATM 3058 O HOH A1015 26.033 18.611 36.017 1.00 58.58 O HETATM 3059 O HOH A1016 16.946 -1.960 9.824 1.00 46.15 O HETATM 3060 O HOH A1017 13.948 5.145 26.803 1.00 60.42 O HETATM 3061 O HOH A1018 35.595 -1.778 31.570 1.00 42.21 O HETATM 3062 O HOH A1019 19.272 -11.443 2.328 1.00 59.22 O HETATM 3063 O HOH A1020 30.954 6.729 -0.807 1.00 45.14 O HETATM 3064 O HOH A1021 15.443 3.063 16.781 1.00 33.89 O HETATM 3065 O HOH A1022 31.483 -9.909 21.443 1.00 34.45 O HETATM 3066 O HOH A1023 14.577 1.067 7.764 1.00 57.28 O HETATM 3067 O HOH A1024 10.569 -0.070 -0.363 1.00 74.29 O HETATM 3068 O BHOH A1025 19.114 12.653 29.855 0.64 37.85 O HETATM 3069 O HOH A1026 34.730 -1.458 7.955 1.00 25.11 O HETATM 3070 O HOH A1027 30.298 -5.858 -0.826 1.00 61.27 O HETATM 3071 O HOH A1028 17.210 27.388 32.407 1.00 60.21 O HETATM 3072 O HOH A1029 24.611 17.823 25.001 1.00 27.70 O HETATM 3073 O HOH A1030 17.310 -12.802 28.526 1.00 55.46 O HETATM 3074 O HOH A1031 26.578 -3.786 28.604 1.00 29.34 O HETATM 3075 O BHOH A1032 21.020 8.409 29.489 0.92 59.45 O HETATM 3076 O HOH A1033 48.037 -0.739 24.381 1.00 53.88 O HETATM 3077 O HOH A1034 14.061 4.629 29.336 1.00 61.31 O HETATM 3078 O HOH A1035 15.196 -4.483 -6.479 1.00 72.88 O HETATM 3079 O HOH A1036 25.622 22.124 14.566 1.00 36.00 O HETATM 3080 O HOH A1037 9.362 9.695 22.504 1.00 38.58 O HETATM 3081 O HOH A1038 18.913 11.221 -2.538 1.00 38.99 O HETATM 3082 O HOH A1039 18.903 26.719 18.082 1.00 67.96 O HETATM 3083 O HOH A1040 13.182 6.380 14.127 1.00 41.44 O HETATM 3084 O HOH A1041 32.740 6.128 5.186 1.00 52.53 O HETATM 3085 O HOH A1042 19.689 24.278 23.977 1.00 47.46 O HETATM 3086 O HOH A1043 14.802 4.261 23.455 1.00 36.59 O HETATM 3087 O HOH A1044 28.839 7.155 6.462 1.00 30.90 O HETATM 3088 O HOH A1045 18.281 -3.175 16.087 1.00 55.22 O HETATM 3089 O HOH A1046 31.931 8.310 28.436 1.00 28.70 O HETATM 3090 O HOH A1047 24.909 27.613 29.010 1.00 27.39 O HETATM 3091 O HOH A1048 23.315 -13.416 17.929 1.00 76.81 O HETATM 3092 O HOH A1049 14.409 0.058 27.910 1.00 66.14 O HETATM 3093 O HOH A1050 37.277 11.469 22.545 1.00 45.88 O HETATM 3094 O HOH A1051 40.368 -0.090 10.123 1.00 38.87 O HETATM 3095 O HOH A1052 32.421 21.818 20.337 1.00 32.82 O HETATM 3096 O HOH A1053 31.167 25.098 29.598 1.00 63.09 O HETATM 3097 O HOH A1054 26.221 20.799 32.023 1.00 31.50 O HETATM 3098 O HOH A1055 24.204 -13.439 22.184 1.00 28.05 O HETATM 3099 O HOH A1056 29.778 -17.285 27.342 1.00 82.24 O HETATM 3100 O HOH A1057 14.639 10.920 8.061 1.00 48.45 O HETATM 3101 O HOH A1058 15.722 12.491 12.321 1.00 39.35 O HETATM 3102 O HOH A1059 23.336 -14.190 33.773 1.00 33.76 O HETATM 3103 O HOH A1060 28.859 -10.640 3.795 1.00 48.27 O HETATM 3104 O HOH A1061 24.603 -1.954 28.044 1.00 29.54 O HETATM 3105 O HOH A1062 22.825 -8.012 10.343 1.00 49.59 O HETATM 3106 O HOH A1063 40.089 -7.259 18.558 1.00 38.72 O HETATM 3107 O HOH A1064 28.830 -15.901 29.933 1.00 50.91 O HETATM 3108 O HOH A1065 10.953 6.414 25.654 1.00 63.70 O HETATM 3109 O HOH A1066 29.624 -8.091 33.879 1.00158.35 O HETATM 3110 O HOH A1067 33.059 23.978 30.346 1.00 68.17 O HETATM 3111 O HOH A1068 20.560 -9.112 8.507 1.00 58.55 O HETATM 3112 O HOH A1069 17.095 -1.522 27.506 1.00 64.91 O HETATM 3113 O HOH A1070 12.172 7.897 16.871 1.00 56.13 O HETATM 3114 O HOH A1071 28.563 11.211 -4.576 1.00 60.45 O HETATM 3115 O HOH A1072 35.118 17.881 21.940 1.00 45.69 O HETATM 3116 O HOH A1073 37.027 13.086 14.702 1.00 54.24 O HETATM 3117 O HOH A1074 35.367 10.129 25.650 1.00 30.11 O HETATM 3118 O HOH A1075 35.035 3.540 -2.828 1.00 75.37 O HETATM 3119 O HOH A1076 22.982 -8.812 26.890 1.00 57.72 O HETATM 3120 O HOH A1077 39.039 11.439 6.568 1.00110.23 O HETATM 3121 O HOH A1078 20.205 34.569 24.252 1.00 74.21 O HETATM 3122 O HOH A1079 23.606 -7.953 29.774 1.00 46.93 O HETATM 3123 O HOH A1080 27.183 -21.069 10.808 1.00 55.76 O HETATM 3124 O HOH A1081 25.931 7.939 28.983 1.00 40.65 O HETATM 3125 O HOH A1082 26.095 11.329 9.043 1.00 47.03 O HETATM 3126 O HOH A1083 11.312 23.765 28.427 1.00 39.95 O HETATM 3127 O HOH A1084 34.218 -13.869 21.011 1.00 60.82 O HETATM 3128 O HOH A1085 25.690 15.661 23.646 1.00 17.97 O HETATM 3129 O HOH A1086 32.002 16.536 29.024 1.00 25.53 O HETATM 3130 O HOH A1087 21.361 -5.002 16.682 1.00 29.72 O HETATM 3131 O HOH A1088 31.400 12.460 9.430 1.00 45.47 O HETATM 3132 O HOH A1089 20.126 -6.932 26.195 1.00 39.69 O HETATM 3133 O HOH A1090 30.884 -11.375 19.302 1.00 57.11 O HETATM 3134 O HOH A1091 22.382 17.644 15.890 1.00 31.97 O HETATM 3135 O HOH A1092 28.641 0.150 -4.746 1.00 57.69 O HETATM 3136 O HOH A1093 27.652 -1.199 31.561 1.00 57.32 O HETATM 3137 O HOH A1094 19.519 -5.843 12.611 1.00 65.45 O HETATM 3138 O HOH A1095 17.671 1.773 15.767 1.00 22.89 O HETATM 3139 O HOH A1096 30.406 -21.206 23.428 1.00 30.06 O HETATM 3140 O HOH A1097 30.021 -11.841 15.742 1.00 43.75 O HETATM 3141 O HOH A1098 27.639 -11.107 1.420 1.00 71.29 O HETATM 3142 O HOH A1099 40.471 -0.019 12.866 1.00 31.58 O HETATM 3143 O HOH A1100 24.324 17.315 19.151 1.00 21.34 O HETATM 3144 O HOH A1101 35.759 11.527 18.630 1.00 38.96 O HETATM 3145 O HOH A1102 41.959 1.826 14.491 1.00 53.47 O HETATM 3146 O HOH A1103 16.596 3.974 30.364 1.00 52.89 O HETATM 3147 O HOH A1104 15.439 25.846 22.392 1.00 24.74 O HETATM 3148 O HOH A1105 19.954 -6.357 -5.331 1.00 64.18 O HETATM 3149 O HOH A1106 29.754 -2.843 3.210 1.00 32.76 O HETATM 3150 O HOH A1107 16.211 -0.269 2.809 1.00 35.53 O HETATM 3151 O HOH A1108 28.121 17.051 23.911 1.00 21.08 O HETATM 3152 O HOH A1109 12.884 5.290 19.768 1.00 58.97 O HETATM 3153 O HOH A1110 11.508 20.800 26.327 1.00 33.99 O HETATM 3154 O HOH A1111 21.102 20.020 22.223 1.00 36.87 O HETATM 3155 O HOH A1112 13.740 5.916 11.749 1.00 59.57 O HETATM 3156 O HOH A1113 16.877 8.111 11.313 1.00 38.47 O HETATM 3157 O HOH A1114 29.083 -7.657 31.079 1.00 31.69 O HETATM 3158 O HOH A1115 36.654 8.033 28.811 1.00 80.37 O HETATM 3159 O HOH A1116 34.247 4.198 9.116 1.00 27.75 O HETATM 3160 O HOH A1117 24.099 -11.412 20.389 1.00 43.38 O HETATM 3161 O HOH A1118 25.534 23.082 34.199 1.00 44.57 O HETATM 3162 O HOH A1119 38.768 -9.559 15.385 1.00 46.40 O HETATM 3163 O HOH A1120 31.809 -4.320 33.496 1.00 55.57 O HETATM 3164 O HOH A1121 9.590 8.130 2.962 1.00 72.81 O HETATM 3165 O HOH A1122 32.190 -6.566 32.581 1.00 37.00 O HETATM 3166 O HOH A1123 35.548 -20.533 19.667 1.00 61.69 O HETATM 3167 O HOH A1124 33.646 -8.927 34.011 1.00 79.44 O HETATM 3168 O HOH A1125 34.621 -13.735 9.379 1.00 51.57 O HETATM 3169 O HOH A1126 20.141 11.538 12.209 1.00 34.02 O HETATM 3170 O HOH A1127 32.412 6.054 10.142 1.00 25.13 O HETATM 3171 O HOH A1128 21.627 26.356 38.053 1.00 63.45 O HETATM 3172 O HOH A1129 34.182 -12.063 27.618 1.00 38.59 O HETATM 3173 O HOH A1130 20.722 2.990 28.721 1.00 47.87 O HETATM 3174 O HOH A1131 31.905 -16.104 25.075 1.00 55.48 O HETATM 3175 O HOH A1132 38.914 3.300 14.729 1.00 30.82 O HETATM 3176 O HOH A1133 14.673 1.469 23.301 1.00 54.94 O HETATM 3177 O HOH A1134 24.553 7.274 9.039 1.00 28.52 O HETATM 3178 O HOH A1135 21.728 -4.160 -6.004 1.00 61.35 O HETATM 3179 O HOH A1136 21.963 26.114 24.159 1.00 30.02 O HETATM 3180 O BHOH A1137 21.010 11.212 28.587 0.62 28.04 O HETATM 3181 O HOH A1138 37.565 8.317 25.711 1.00 49.60 O HETATM 3182 O HOH A1139 30.579 21.839 32.727 1.00 46.08 O HETATM 3183 O HOH A1140 45.020 -6.058 23.924 1.00 56.14 O HETATM 3184 O HOH A1141 34.559 21.877 16.681 1.00 53.77 O HETATM 3185 O HOH A1142 26.976 -9.349 31.514 1.00 43.47 O HETATM 3186 O HOH A1143 30.080 22.327 21.649 1.00 25.51 O HETATM 3187 O HOH A1144 22.470 0.198 -6.450 1.00 51.81 O HETATM 3188 O HOH A1145 15.565 3.566 10.287 1.00 34.12 O HETATM 3189 O HOH A1146 15.816 28.182 28.201 1.00 41.12 O HETATM 3190 O HOH A1147 24.092 10.368 1.204 1.00 38.56 O HETATM 3191 O HOH A1148 27.900 -15.160 4.336 1.00 69.50 O HETATM 3192 O HOH A1149 17.638 -0.308 17.167 1.00 30.69 O HETATM 3193 O HOH A1150 38.003 3.475 8.679 1.00 50.82 O HETATM 3194 O HOH A1151 36.674 -3.238 9.065 1.00 25.88 O HETATM 3195 O HOH A1152 19.756 30.870 27.747 1.00111.67 O HETATM 3196 O HOH A1153 27.965 27.208 28.443 1.00 37.28 O HETATM 3197 O HOH A1154 20.763 -0.412 29.512 1.00 56.02 O HETATM 3198 O HOH A1155 29.354 -0.352 -7.814 1.00 83.45 O HETATM 3199 O HOH A1156 24.841 -1.118 -5.036 1.00 61.06 O HETATM 3200 O HOH A1157 12.777 -2.746 27.361 1.00 52.10 O HETATM 3201 O HOH A1158 31.829 -10.010 6.796 1.00 43.56 O HETATM 3202 O HOH A1159 20.004 19.063 19.945 1.00 37.39 O HETATM 3203 O HOH A1160 7.089 17.009 26.487 1.00 62.74 O HETATM 3204 O HOH A1161 19.244 -8.182 -2.959 1.00 61.08 O HETATM 3205 O HOH A1162 17.876 -8.139 27.741 1.00 52.43 O HETATM 3206 O HOH A1163 44.145 3.327 15.405 1.00 62.34 O HETATM 3207 O HOH A1164 17.999 30.177 28.741 1.00 41.52 O HETATM 3208 O HOH A1165 39.920 -7.852 25.434 1.00 37.11 O HETATM 3209 O HOH A1166 24.312 -8.463 15.446 1.00 49.58 O HETATM 3210 O HOH A1167 27.162 -9.005 15.796 1.00 48.93 O HETATM 3211 O HOH A1168 25.487 15.697 20.962 1.00 18.06 O HETATM 3212 O HOH A1169 21.134 17.154 13.013 1.00 45.17 O HETATM 3213 O HOH A1170 44.335 5.280 21.182 1.00 42.11 O HETATM 3214 O HOH A1171 23.354 -10.310 22.710 1.00 75.31 O HETATM 3215 O HOH A1172 27.670 -11.196 33.282 1.00 63.55 O HETATM 3216 O HOH A1173 32.663 -16.685 22.713 1.00 53.78 O HETATM 3217 O HOH A1174 23.758 18.739 35.955 1.00 55.08 O HETATM 3218 O HOH A1175 19.252 27.198 20.814 1.00 63.53 O HETATM 3219 O HOH A1176 42.494 -7.228 21.363 1.00 39.63 O HETATM 3220 O HOH A1177 21.918 5.844 32.560 1.00 61.69 O HETATM 3221 O HOH A1178 19.908 -6.424 23.466 1.00 29.01 O HETATM 3222 O HOH A1179 26.994 18.843 30.167 1.00 29.57 O HETATM 3223 O HOH A1180 24.943 9.299 -3.716 1.00 57.90 O HETATM 3224 O HOH A1181 37.654 8.010 23.199 1.00 33.30 O HETATM 3225 O HOH A1182 22.369 18.012 23.588 1.00 26.79 O HETATM 3226 O HOH A1183 32.256 3.238 28.832 1.00 30.26 O HETATM 3227 O HOH A1184 35.761 18.045 15.531 1.00 66.63 O HETATM 3228 O HOH A1185 15.302 -4.712 27.427 1.00 56.01 O HETATM 3229 O HOH A1186 39.320 -8.712 12.712 1.00 42.46 O HETATM 3230 O HOH A1187 33.901 -14.722 12.134 1.00 45.53 O HETATM 3231 O HOH A1188 30.426 23.412 26.086 1.00 41.42 O HETATM 3232 O HOH A1189 33.356 -12.172 7.186 1.00 57.89 O HETATM 3233 O HOH A1190 28.528 17.725 11.544 1.00 30.48 O HETATM 3234 O HOH A1191 35.710 19.169 18.247 1.00 63.13 O HETATM 3235 O HOH A1192 28.274 17.331 34.879 1.00 66.04 O HETATM 3236 O HOH A1193 25.692 2.875 30.207 1.00 52.28 O HETATM 3237 O HOH A1194 36.509 -12.709 22.957 1.00 55.28 O HETATM 3238 O HOH A1195 19.877 9.321 10.277 1.00 32.76 O HETATM 3239 O HOH A1196 28.853 -10.296 13.801 1.00 46.80 O HETATM 3240 O HOH A1197 30.480 -13.925 30.021 1.00 38.79 O HETATM 3241 O HOH A1198 40.751 4.199 21.530 1.00 27.62 O HETATM 3242 O HOH A1199 35.158 1.024 -4.239 1.00 86.32 O HETATM 3243 O HOH A1200 42.931 1.386 27.681 1.00 59.80 O HETATM 3244 O HOH A1201 34.364 22.966 26.268 1.00 48.96 O HETATM 3245 O HOH A1202 28.428 19.905 12.959 1.00 30.79 O HETATM 3246 O HOH A1203 21.474 -13.142 36.010 1.00 60.51 O HETATM 3247 O HOH A1204 21.572 -13.764 14.753 1.00 64.72 O HETATM 3248 O HOH A1205 21.382 -9.560 5.943 1.00 48.86 O HETATM 3249 O HOH A1206 25.611 -18.303 13.267 1.00 66.38 O HETATM 3250 O HOH A1207 24.065 15.703 10.248 1.00 43.21 O HETATM 3251 O HOH A1208 16.449 22.505 35.226 1.00 59.85 O HETATM 3252 O HOH A1209 37.540 -2.834 30.614 1.00 43.75 O HETATM 3253 O HOH A1210 31.518 18.139 31.464 1.00 33.48 O HETATM 3254 O HOH A1211 33.496 4.919 2.685 1.00 60.69 O HETATM 3255 O HOH A1212 40.080 4.837 26.068 1.00 47.30 O HETATM 3256 O HOH A1213 31.206 16.974 12.530 1.00 26.85 O HETATM 3257 O HOH A1214 24.414 9.287 30.536 1.00 49.35 O HETATM 3258 O HOH A1215 25.204 -12.638 5.265 1.00 56.19 O HETATM 3259 O HOH A1216 21.219 -8.311 29.820 1.00 49.69 O HETATM 3260 O HOH A1217 34.663 2.452 29.663 1.00 49.10 O HETATM 3261 O HOH A1218 26.495 5.643 30.668 1.00 54.44 O HETATM 3262 O HOH A1219 21.925 -9.440 24.258 1.00 72.82 O HETATM 3263 O HOH A1220 18.149 13.815 34.137 1.00 59.88 O HETATM 3264 O HOH A1221 34.783 5.839 31.058 1.00 59.79 O HETATM 3265 O HOH A1222 39.877 4.859 29.411 1.00 53.20 O HETATM 3266 O HOH A1223 18.167 -1.106 11.800 1.00 53.46 O HETATM 3267 O HOH A1224 30.006 10.181 34.193 1.00 60.21 O HETATM 3268 O HOH A1225 33.084 9.027 4.473 1.00 57.70 O HETATM 3269 O HOH A1226 20.940 28.378 23.076 1.00 45.24 O HETATM 3270 O HOH A1227 18.034 24.508 35.429 1.00 61.33 O HETATM 3271 O HOH A1228 22.606 22.598 20.685 1.00 35.66 O HETATM 3272 O HOH A1229 25.671 29.625 33.436 1.00 54.47 O HETATM 3273 O HOH A1230 10.563 21.244 30.623 1.00 46.81 O HETATM 3274 O HOH A1231 15.355 27.408 30.749 1.00 54.18 O HETATM 3275 O HOH A1232 5.911 19.549 30.382 1.00 50.26 O HETATM 3276 O HOH A1233 22.400 20.187 16.762 1.00 47.56 O HETATM 3277 O HOH A1234 20.167 -8.805 22.265 1.00 49.53 O HETATM 3278 O HOH A1235 40.559 3.277 23.653 1.00 47.74 O HETATM 3279 O HOH A1236 17.442 -2.926 -7.252 1.00 69.81 O HETATM 3280 O HOH A1237 23.155 -10.462 12.095 1.00 63.10 O HETATM 3281 O HOH A1238 30.678 -3.338 -12.849 1.00 56.80 O HETATM 3282 O HOH A1239 17.945 28.397 27.788 1.00121.34 O HETATM 3283 O HOH A1240 31.500 13.816 31.890 1.00 42.22 O HETATM 3284 O HOH A1241 31.260 11.126 31.786 1.00 46.29 O HETATM 3285 O HOH A1242 14.694 2.030 12.485 1.00 52.74 O HETATM 3286 O HOH A1243 38.041 -8.300 31.614 1.00 51.67 O HETATM 3287 O HOH A1244 31.470 -4.675 0.705 1.00 69.44 O HETATM 3288 O HOH A1245 13.727 3.387 14.565 1.00 50.95 O HETATM 3289 O HOH A1246 33.645 1.664 31.391 1.00 64.44 O HETATM 3290 O HOH A1247 23.951 -12.669 -4.350 1.00 89.67 O HETATM 3291 O HOH A1248 29.039 13.606 8.962 1.00 63.75 O HETATM 3292 O HOH A1249 21.150 31.072 19.523 1.00 54.42 O HETATM 3293 O HOH A1250 23.286 -11.923 3.472 1.00 63.21 O HETATM 3294 O HOH A1251 22.033 30.534 21.891 1.00 45.78 O HETATM 3295 O HOH A1252 33.692 -14.629 26.531 1.00 52.54 O HETATM 3296 O HOH A1253 30.023 9.735 29.913 1.00 28.40 O HETATM 3297 O HOH A1254 22.808 10.795 3.726 1.00 35.97 O HETATM 3298 O HOH A1255 24.268 -0.383 30.516 1.00 64.77 O HETATM 3299 O HOH A1256 34.242 9.746 28.365 1.00 37.68 O HETATM 3300 O HOH A1257 33.839 -12.479 18.749 1.00 59.89 O HETATM 3301 O HOH A1258 24.144 5.851 32.119 1.00 63.85 O HETATM 3302 O HOH A1259 22.700 -8.658 13.289 1.00 51.24 O HETATM 3303 O HOH A1260 19.868 12.035 2.029 1.00 56.33 O HETATM 3304 O HOH A1261 34.913 20.463 14.882 1.00 49.08 O HETATM 3305 O HOH A1262 40.015 10.280 25.987 1.00 56.48 O HETATM 3306 O HOH A1263 17.687 -10.975 -0.651 1.00 61.33 O HETATM 3307 O HOH A1264 43.762 -8.377 19.357 1.00 56.80 O HETATM 3308 O HOH A1265 37.120 -1.023 -12.252 1.00 43.11 O HETATM 3309 O HOH A1266 28.166 8.042 30.809 1.00 40.09 O HETATM 3310 O HOH A1267 37.033 15.737 21.531 1.00 64.37 O HETATM 3311 O HOH A1268 28.830 17.607 31.673 1.00 37.41 O HETATM 3312 O HOH A1269 27.479 -5.608 31.398 1.00 52.24 O HETATM 3313 O HOH A1270 33.555 15.916 12.881 1.00 52.69 O HETATM 3314 O HOH A1271 32.836 -14.794 29.491 1.00 51.63 O HETATM 3315 O HOH A1272 20.958 -12.953 4.125 1.00 79.65 O HETATM 3316 O HOH A1273 32.664 -19.801 23.280 1.00 50.65 O HETATM 3317 O HOH A1274 24.710 20.657 10.478 1.00 66.07 O HETATM 3318 O HOH A1275 23.864 12.050 5.549 1.00 46.65 O HETATM 3319 O HOH A1276 31.340 6.775 7.624 1.00 30.42 O HETATM 3320 O HOH A1277 18.147 11.421 4.351 1.00 56.63 O HETATM 3321 O HOH A1278 37.930 12.734 28.847 1.00 81.12 O HETATM 3322 O HOH A1279 13.291 6.177 21.756 1.00 67.11 O HETATM 3323 O HOH A1280 37.379 13.196 20.199 1.00 62.58 O HETATM 3324 O HOH A1281 32.128 -18.087 25.722 1.00 64.46 O HETATM 3325 O HOH A1282 32.885 9.420 7.264 1.00 47.09 O HETATM 3326 O HOH A1283 44.600 5.515 23.599 1.00 67.44 O HETATM 3327 O HOH A1284 30.740 25.900 26.896 1.00 43.21 O HETATM 3328 O HOH A1285 18.809 -6.696 29.939 1.00 55.76 O HETATM 3329 O HOH A1286 14.115 35.542 31.067 1.00 73.32 O HETATM 3330 O HOH A1287 35.447 22.361 23.539 1.00 58.65 O HETATM 3331 O HOH A1288 22.859 2.034 30.573 1.00 68.80 O HETATM 3332 O HOH A1289 34.478 20.256 20.542 1.00 42.71 O HETATM 3333 O HOH A1290 33.854 14.922 29.776 1.00 32.67 O HETATM 3334 O HOH A1291 15.324 0.513 30.799 1.00 74.84 O HETATM 3335 O HOH A1292 40.743 -7.889 28.187 1.00 57.33 O HETATM 3336 O HOH A1293 37.019 18.866 23.469 1.00 48.89 O HETATM 3337 O HOH A1294 31.307 14.741 34.318 1.00 68.28 O HETATM 3338 O HOH A1295 35.791 15.648 13.570 1.00 57.53 O HETATM 3339 O HOH A1296 16.237 10.402 10.422 1.00 41.97 O HETATM 3340 O HOH A1297 12.965 8.615 31.114 1.00 50.60 O HETATM 3341 O HOH A1298 23.236 11.089 8.332 1.00 43.70 O HETATM 3342 O HOH A1299 22.255 22.974 18.058 1.00 63.56 O HETATM 3343 O HOH A1300 34.008 23.781 21.467 1.00 53.12 O HETATM 3344 O HOH A1301 10.125 12.945 31.030 1.00 72.92 O HETATM 3345 O HOH A1302 13.874 0.934 18.033 1.00 76.85 O HETATM 3346 O HOH A1303 22.336 12.931 10.580 1.00 47.95 O HETATM 3347 O HOH A1304 22.075 9.030 8.510 1.00 31.73 O HETATM 3348 O HOH A1305 40.145 6.839 22.247 1.00 49.13 O HETATM 3349 O HOH A1306 20.546 -2.313 -7.695 1.00 64.60 O HETATM 3350 O HOH A1307 16.432 0.346 13.651 1.00 42.46 O HETATM 3351 O HOH A1308 31.888 5.910 29.920 1.00 32.70 O HETATM 3352 O HOH A1309 24.186 11.065 -5.684 1.00 64.20 O HETATM 3353 O HOH A1310 25.161 -5.538 30.385 1.00 39.71 O HETATM 3354 O HOH A1311 35.982 -12.147 29.911 1.00 52.18 O HETATM 3355 O HOH A1312 30.035 5.640 31.448 1.00 48.62 O HETATM 3356 O HOH A1313 34.766 12.378 29.274 1.00 41.32 O HETATM 3357 O HOH A1314 19.856 -15.331 2.529 1.00 72.48 O HETATM 3358 O HOH A1315 33.073 17.430 33.810 1.00 53.60 O HETATM 3359 O HOH A1316 9.541 11.262 33.732 1.00 71.76 O HETATM 3360 O HOH A1317 14.587 7.176 32.878 1.00 65.35 O HETATM 3361 O HOH B1001 11.723 28.992 26.858 1.00 74.32 O HETATM 3362 O HOH B1002 3.914 17.884 28.177 1.00 36.51 O HETATM 3363 O HOH B1003 -13.132 14.090 10.783 1.00 41.16 O HETATM 3364 O HOH B1004 -15.469 5.817 13.056 1.00 71.64 O HETATM 3365 O HOH B1005 3.530 13.240 9.153 1.00 52.33 O HETATM 3366 O HOH B1006 -6.040 18.401 2.497 1.00 64.51 O HETATM 3367 O HOH B1007 -9.062 6.052 15.308 1.00 52.45 O HETATM 3368 O HOH B1008 -6.447 34.581 25.063 1.00 49.21 O HETATM 3369 O HOH B1009 -0.225 19.035 35.775 1.00 34.62 O HETATM 3370 O HOH B1010 -13.294 28.992 39.715 1.00 61.39 O HETATM 3371 O HOH B1011 -13.516 21.181 5.111 1.00 70.11 O HETATM 3372 O HOH B1012 16.582 26.404 10.485 1.00 59.90 O HETATM 3373 O HOH B1013 -13.616 30.742 38.601 1.00 46.48 O HETATM 3374 O HOH B1014 -14.469 15.752 23.106 1.00 72.34 O HETATM 3375 O HOH B1015 14.016 29.739 26.514 1.00 36.87 O HETATM 3376 O HOH B1016 -3.025 17.877 30.072 1.00 72.44 O HETATM 3377 O HOH B1017 1.749 40.837 32.571 1.00 58.98 O HETATM 3378 O HOH B1018 1.614 9.317 21.759 1.00 53.04 O HETATM 3379 O HOH B1019 -12.584 33.319 25.291 1.00 89.89 O HETATM 3380 O HOH B1020 -10.315 31.370 18.154 1.00 34.50 O HETATM 3381 O HOH B1021 19.629 19.956 17.167 1.00 48.21 O HETATM 3382 O HOH B1022 -4.193 7.454 13.770 1.00 66.94 O HETATM 3383 O HOH B1023 -10.619 10.961 0.865 1.00 70.73 O HETATM 3384 O HOH B1024 3.529 18.997 25.840 1.00 29.80 O HETATM 3385 O HOH B1025 7.452 22.752 27.017 1.00 26.11 O HETATM 3386 O HOH B1026 14.459 37.268 20.685 1.00 50.28 O HETATM 3387 O HOH B1027 13.358 38.447 26.989 1.00 44.74 O HETATM 3388 O HOH B1028 -19.399 21.811 1.801 1.00 70.32 O HETATM 3389 O HOH B1029 10.378 31.749 28.216 1.00 32.90 O HETATM 3390 O HOH B1030 -10.027 7.706 21.622 1.00 47.03 O HETATM 3391 O HOH B1031 10.466 11.841 13.858 1.00 54.76 O HETATM 3392 O HOH B1032 -21.421 13.399 11.775 1.00 42.99 O HETATM 3393 O HOH B1033 15.307 24.585 9.325 1.00 52.86 O HETATM 3394 O HOH B1034 10.209 38.192 30.842 1.00 51.13 O HETATM 3395 O HOH B1035 -11.919 22.242 22.789 1.00 37.54 O HETATM 3396 O HOH B1036 -19.407 30.100 12.565 1.00 49.40 O HETATM 3397 O HOH B1037 -15.779 25.708 26.773 1.00 43.04 O HETATM 3398 O HOH B1038 -21.630 14.833 3.342 1.00 77.16 O HETATM 3399 O HOH B1039 -1.787 11.856 27.038 1.00 70.80 O HETATM 3400 O HOH B1040 14.902 33.904 26.980 1.00 48.16 O HETATM 3401 O HOH B1041 -9.438 33.036 11.649 1.00 70.11 O HETATM 3402 O HOH B1042 3.656 20.141 32.648 1.00 48.17 O HETATM 3403 O HOH B1043 -0.200 35.817 7.981 1.00 68.69 O HETATM 3404 O HOH B1044 -7.872 22.474 37.032 1.00 30.14 O HETATM 3405 O HOH B1045 11.071 18.086 22.107 1.00 31.11 O HETATM 3406 O HOH B1046 0.802 11.830 27.527 1.00 40.76 O HETATM 3407 O HOH B1047 -8.627 42.671 41.188 1.00109.26 O HETATM 3408 O HOH B1048 0.669 13.068 9.665 1.00 34.72 O HETATM 3409 O HOH B1049 -6.342 28.105 6.258 1.00 57.43 O HETATM 3410 O HOH B1050 -8.531 40.747 38.482 1.00 77.67 O HETATM 3411 O HOH B1051 -15.919 31.891 9.095 1.00 73.61 O HETATM 3412 O HOH B1052 -12.403 27.142 23.688 1.00 55.96 O HETATM 3413 O HOH B1053 4.126 27.229 31.628 1.00 28.52 O HETATM 3414 O HOH B1054 8.355 39.662 29.203 1.00 80.61 O HETATM 3415 O HOH B1055 3.256 24.705 32.724 1.00 37.76 O HETATM 3416 O HOH B1056 -7.686 31.070 19.166 1.00 29.59 O HETATM 3417 O HOH B1057 -15.667 29.708 17.890 1.00 61.79 O HETATM 3418 O HOH B1058 19.371 18.048 10.750 1.00 62.46 O HETATM 3419 O HOH B1059 -5.462 35.073 19.179 1.00 53.61 O HETATM 3420 O HOH B1060 -13.980 30.958 15.275 1.00 47.61 O HETATM 3421 O HOH B1061 0.046 11.943 16.592 1.00 53.02 O HETATM 3422 O HOH B1062 10.008 23.066 25.988 1.00 26.49 O HETATM 3423 O HOH B1063 -11.354 33.500 29.180 1.00 57.98 O HETATM 3424 O HOH B1064 7.535 23.544 29.352 1.00 50.33 O HETATM 3425 O HOH B1065 1.671 26.605 3.344 1.00 49.40 O HETATM 3426 O HOH B1066 11.089 18.220 24.962 1.00 33.91 O HETATM 3427 O HOH B1067 -4.267 10.764 23.197 1.00 39.22 O HETATM 3428 O HOH B1068 -12.792 14.783 16.120 1.00 27.89 O HETATM 3429 O HOH B1069 -10.637 14.916 11.495 1.00 35.08 O HETATM 3430 O HOH B1070 -11.330 13.845 -2.534 1.00 51.91 O HETATM 3431 O HOH B1071 8.039 15.130 4.913 1.00 61.09 O HETATM 3432 O HOH B1072 2.803 29.383 6.411 1.00 36.31 O HETATM 3433 O HOH B1073 -13.566 30.236 23.283 1.00 60.94 O HETATM 3434 O HOH B1074 -0.574 34.052 17.611 1.00 49.79 O HETATM 3435 O HOH B1075 12.147 15.757 7.562 1.00 67.27 O HETATM 3436 O HOH B1076 7.997 19.670 5.324 1.00 61.44 O HETATM 3437 O HOH B1077 12.926 30.203 19.242 1.00 45.64 O HETATM 3438 O HOH B1078 -1.331 34.725 20.994 1.00 61.78 O HETATM 3439 O HOH B1079 15.527 29.747 19.576 1.00 55.83 O HETATM 3440 O HOH B1080 -14.418 4.485 9.920 1.00 73.93 O HETATM 3441 O HOH B1081 -8.061 33.674 31.997 1.00 29.22 O HETATM 3442 O HOH B1082 -14.164 30.698 20.444 1.00 41.31 O HETATM 3443 O HOH B1083 -11.493 31.030 11.321 1.00 39.55 O HETATM 3444 O HOH B1084 -16.908 16.067 15.649 1.00 37.96 O HETATM 3445 O HOH B1085 -2.545 19.897 28.477 1.00 25.31 O HETATM 3446 O HOH B1086 -0.911 16.489 6.698 1.00 32.03 O HETATM 3447 O HOH B1087 -0.145 9.991 20.734 1.00 46.77 O HETATM 3448 O HOH B1088 -4.735 14.203 25.250 1.00 39.22 O HETATM 3449 O HOH B1089 -9.940 1.818 9.252 1.00 67.54 O HETATM 3450 O HOH B1090 -14.276 15.838 19.272 1.00 43.23 O HETATM 3451 O HOH B1091 -14.654 15.806 12.063 1.00 35.07 O HETATM 3452 O HOH B1092 -6.971 20.367 38.759 1.00 49.41 O HETATM 3453 O HOH B1093 -20.328 9.306 11.829 1.00 52.74 O HETATM 3454 O HOH B1094 2.307 11.266 13.812 1.00 49.19 O HETATM 3455 O HOH B1095 3.707 13.537 11.823 1.00 39.17 O HETATM 3456 O HOH B1096 13.403 31.202 7.039 1.00 64.52 O HETATM 3457 O HOH B1097 0.058 29.190 6.752 1.00 39.21 O HETATM 3458 O HOH B1098 8.706 33.841 31.219 1.00 54.22 O HETATM 3459 O HOH B1099 -26.792 17.786 6.897 1.00 39.50 O HETATM 3460 O HOH B1100 -6.196 9.861 6.283 1.00 39.85 O HETATM 3461 O HOH B1101 11.109 15.549 20.549 1.00 55.82 O HETATM 3462 O HOH B1102 -9.294 12.310 11.509 1.00 26.29 O HETATM 3463 O HOH B1103 10.831 15.530 5.349 1.00 65.37 O HETATM 3464 O HOH B1104 -10.558 15.241 14.306 1.00 27.80 O HETATM 3465 O HOH B1105 11.569 13.105 19.467 1.00 41.62 O HETATM 3466 O HOH B1106 -2.147 5.436 9.328 1.00 69.56 O HETATM 3467 O HOH B1107 -10.390 35.637 30.729 1.00 58.27 O HETATM 3468 O HOH B1108 8.466 28.067 2.466 1.00 54.78 O HETATM 3469 O HOH B1109 7.226 14.730 9.421 1.00 49.24 O HETATM 3470 O HOH B1110 -16.305 24.289 22.921 1.00 37.02 O HETATM 3471 O HOH B1111 -5.514 20.474 5.787 1.00 44.79 O HETATM 3472 O HOH B1112 -10.369 33.667 27.046 1.00 64.05 O HETATM 3473 O HOH B1113 2.824 37.443 41.150 1.00 69.86 O HETATM 3474 O HOH B1114 6.279 24.151 3.444 1.00 57.43 O HETATM 3475 O HOH B1115 -9.639 23.177 5.860 1.00 50.59 O HETATM 3476 O HOH B1116 17.673 40.162 26.284 1.00 37.23 O HETATM 3477 O HOH B1117 15.140 24.247 16.265 1.00 49.82 O HETATM 3478 O HOH B1118 7.708 16.497 20.293 1.00 23.97 O HETATM 3479 O HOH B1119 -6.056 22.349 26.026 1.00 28.36 O HETATM 3480 O HOH B1120 -10.785 31.105 24.651 1.00 29.98 O HETATM 3481 O HOH B1121 -9.230 12.097 23.385 1.00 40.17 O HETATM 3482 O HOH B1122 -8.379 3.830 10.110 1.00 68.77 O HETATM 3483 O HOH B1123 6.637 37.624 29.973 1.00 42.46 O HETATM 3484 O HOH B1124 1.045 18.495 25.103 1.00 25.33 O HETATM 3485 O HOH B1125 10.158 21.759 4.476 1.00 54.00 O HETATM 3486 O HOH B1126 -6.327 32.773 17.648 1.00 33.14 O HETATM 3487 O HOH B1127 -4.398 30.781 6.029 1.00 49.41 O HETATM 3488 O HOH B1128 -0.785 37.937 38.122 1.00 63.62 O HETATM 3489 O HOH B1129 17.003 22.511 13.853 1.00 36.84 O HETATM 3490 O HOH B1130 -16.563 24.337 35.088 1.00 58.96 O HETATM 3491 O HOH B1131 -24.693 20.223 8.906 1.00 28.88 O HETATM 3492 O HOH B1132 8.562 14.629 13.596 1.00 22.96 O HETATM 3493 O HOH B1133 8.567 9.406 17.869 1.00 63.89 O HETATM 3494 O HOH B1134 -11.283 21.229 6.491 1.00 39.06 O HETATM 3495 O HOH B1135 17.382 35.907 20.981 1.00 51.46 O HETATM 3496 O HOH B1136 -5.915 30.509 41.140 1.00 50.14 O HETATM 3497 O HOH B1137 -14.655 10.014 20.924 1.00 47.95 O HETATM 3498 O HOH B1138 4.335 39.565 39.119 1.00 72.56 O HETATM 3499 O HOH B1139 -0.347 35.772 11.337 1.00 58.96 O HETATM 3500 O HOH B1140 2.423 20.073 6.194 1.00 38.77 O HETATM 3501 O HOH B1141 -3.608 10.285 5.444 1.00 47.69 O HETATM 3502 O HOH B1142 5.344 37.291 13.701 1.00 57.23 O HETATM 3503 O HOH B1143 12.215 43.410 22.929 1.00 66.40 O HETATM 3504 O HOH B1144 -10.883 10.330 22.115 1.00 37.19 O HETATM 3505 O HOH B1145 6.499 30.660 3.450 1.00 50.47 O HETATM 3506 O HOH B1146 -7.545 18.173 26.032 1.00 40.53 O HETATM 3507 O HOH B1147 8.919 28.804 41.231 1.00 72.82 O HETATM 3508 O HOH B1148 -10.970 23.887 24.838 1.00 37.44 O HETATM 3509 O HOH B1149 -23.053 14.714 6.996 1.00 62.71 O HETATM 3510 O HOH B1150 1.656 18.368 29.350 1.00 40.27 O HETATM 3511 O HOH B1151 9.486 13.582 28.995 1.00 68.19 O HETATM 3512 O HOH B1152 -13.573 6.588 20.387 1.00113.64 O HETATM 3513 O HOH B1153 2.798 36.157 21.850 1.00 71.50 O HETATM 3514 O HOH B1154 -6.826 10.631 22.687 1.00 28.01 O HETATM 3515 O HOH B1155 1.028 34.885 19.590 1.00 82.24 O HETATM 3516 O HOH B1156 -3.325 22.198 4.406 1.00 57.98 O HETATM 3517 O HOH B1157 10.174 29.211 28.892 1.00 33.78 O HETATM 3518 O HOH B1158 -11.693 16.441 24.949 1.00 43.77 O HETATM 3519 O HOH B1159 -8.110 20.212 33.841 1.00 35.13 O HETATM 3520 O HOH B1160 2.186 36.007 24.269 1.00 40.19 O HETATM 3521 O HOH B1161 -8.261 8.730 3.940 1.00 66.14 O HETATM 3522 O HOH B1162 -6.564 37.762 28.013 1.00 55.21 O HETATM 3523 O HOH B1163 -16.952 12.542 15.007 1.00 69.81 O HETATM 3524 O HOH B1164 6.884 32.843 37.519 1.00 58.86 O HETATM 3525 O HOH B1165 -7.782 37.042 30.660 1.00 53.71 O HETATM 3526 O HOH B1166 -17.967 30.272 33.000 1.00 55.48 O HETATM 3527 O HOH B1167 14.245 25.661 3.342 1.00 61.49 O HETATM 3528 O HOH B1168 -16.794 15.103 13.284 1.00 38.92 O HETATM 3529 O HOH B1169 10.407 28.801 31.009 1.00 59.25 O HETATM 3530 O HOH B1170 -19.062 30.177 19.905 1.00 92.91 O HETATM 3531 O HOH B1171 -25.445 20.451 3.962 1.00 39.60 O HETATM 3532 O HOH B1172 7.566 35.177 32.997 1.00 63.77 O HETATM 3533 O HOH B1173 0.327 36.762 41.425 1.00 59.95 O HETATM 3534 O HOH B1174 1.426 19.125 38.377 1.00 57.09 O HETATM 3535 O HOH B1175 -27.767 25.779 5.134 1.00 54.72 O HETATM 3536 O HOH B1176 -18.541 28.260 34.165 1.00 55.02 O HETATM 3537 O HOH B1177 -4.541 36.640 24.468 1.00 51.22 O HETATM 3538 O HOH B1178 11.246 39.814 28.770 1.00 51.35 O HETATM 3539 O HOH B1179 6.627 28.360 34.709 1.00 41.23 O HETATM 3540 O HOH B1180 -20.029 28.993 31.357 1.00 54.11 O HETATM 3541 O HOH B1181 1.595 37.635 28.862 1.00 39.01 O HETATM 3542 O HOH B1182 -2.116 24.808 4.450 1.00 57.39 O HETATM 3543 O HOH B1183 0.215 9.344 15.337 1.00 46.93 O HETATM 3544 O HOH B1184 4.781 38.571 31.609 1.00 62.70 O HETATM 3545 O HOH B1185 9.152 15.425 11.626 1.00 55.75 O HETATM 3546 O HOH B1186 -10.251 32.569 22.782 1.00 49.56 O HETATM 3547 O HOH B1187 2.984 10.985 16.709 1.00 63.84 O HETATM 3548 O HOH B1188 -11.024 7.353 14.141 1.00 51.41 O HETATM 3549 O HOH B1189 -0.489 6.973 7.558 1.00 63.90 O HETATM 3550 O HOH B1190 -14.694 18.327 23.069 1.00 67.49 O HETATM 3551 O HOH B1191 8.627 30.910 36.723 1.00 69.23 O HETATM 3552 O HOH B1192 2.709 16.786 3.959 1.00 64.92 O HETATM 3553 O HOH B1193 -4.942 26.089 4.457 1.00 82.34 O HETATM 3554 O HOH B1194 -1.377 36.307 14.170 1.00 83.39 O HETATM 3555 O HOH B1195 -8.061 40.067 36.049 1.00 67.08 O HETATM 3556 O HOH B1196 -21.215 12.887 5.758 1.00 54.47 O HETATM 3557 O HOH B1197 0.779 35.401 0.468 1.00 86.93 O HETATM 3558 O HOH B1198 0.937 40.120 30.272 1.00 71.07 O HETATM 3559 O HOH B1199 -24.503 16.629 2.667 1.00 84.16 O HETATM 3560 O HOH B1200 -13.492 10.526 23.380 1.00 59.31 O HETATM 3561 O HOH B1201 -7.710 20.032 4.083 1.00 54.26 O HETATM 3562 O HOH B1202 0.828 31.831 46.345 1.00 58.40 O HETATM 3563 O HOH B1203 11.330 29.355 0.838 1.00 63.15 O HETATM 3564 O HOH B1204 -17.457 28.604 26.130 1.00 61.88 O HETATM 3565 O HOH B1205 -9.365 20.766 31.305 1.00 36.73 O HETATM 3566 O HOH B1206 -11.832 32.288 20.102 1.00 42.60 O HETATM 3567 O HOH B1207 -4.559 6.411 18.106 1.00 62.83 O HETATM 3568 O HOH B1208 -3.226 16.576 5.345 1.00 38.95 O HETATM 3569 O HOH B1209 -12.401 31.403 8.408 1.00 60.00 O HETATM 3570 O HOH B1210 -3.647 14.002 4.030 1.00 62.66 O HETATM 3571 O HOH B1211 7.697 21.755 3.156 1.00 56.16 O HETATM 3572 O HOH B1212 -4.027 8.968 25.057 1.00 65.69 O HETATM 3573 O HOH B1213 8.741 30.083 32.965 1.00 63.80 O HETATM 3574 O HOH B1214 1.178 37.705 26.288 1.00 62.29 O HETATM 3575 O HOH B1215 -4.412 38.899 29.632 1.00 58.88 O HETATM 3576 O HOH B1216 -1.816 8.794 27.183 1.00 71.31 O HETATM 3577 O HOH B1217 -5.322 14.423 31.097 1.00 60.90 O HETATM 3578 O HOH B1218 -3.034 14.813 27.389 1.00 62.91 O HETATM 3579 O HOH B1219 -0.921 15.737 27.755 1.00 42.42 O HETATM 3580 O HOH B1220 14.937 36.360 28.251 1.00 46.27 O HETATM 3581 O HOH B1221 -1.737 39.825 40.630 1.00 63.09 O HETATM 3582 O HOH B1222 3.522 30.494 3.845 1.00 57.44 O HETATM 3583 O HOH B1223 -20.989 6.176 17.162 1.00 89.92 O HETATM 3584 O HOH B1224 -4.815 16.348 29.052 1.00 55.91 O HETATM 3585 O HOH B1225 -1.626 40.404 30.206 1.00 82.07 O HETATM 3586 O HOH B1226 -0.169 13.588 6.877 1.00 61.02 O HETATM 3587 O HOH B1227 6.438 39.484 33.902 1.00 58.45 O HETATM 3588 O HOH B1228 -3.566 19.276 4.332 1.00 45.47 O HETATM 3589 O HOH B1229 -2.300 36.392 22.833 1.00 54.95 O HETATM 3590 O HOH B1230 -15.864 13.958 18.703 1.00 46.42 O HETATM 3591 O HOH B1231 -22.735 11.089 1.220 1.00 60.95 O HETATM 3592 O HOH B1232 13.040 32.076 27.893 1.00 37.48 O HETATM 3593 O HOH B1233 16.275 26.606 19.989 1.00 46.53 O HETATM 3594 O HOH B1234 -5.846 33.030 23.209 1.00 50.99 O HETATM 3595 O HOH B1235 17.888 31.372 19.328 1.00 81.42 O HETATM 3596 O HOH B1236 -9.883 20.936 35.749 1.00 38.34 O HETATM 3597 O HOH B1237 -0.317 18.384 27.377 1.00 24.62 O HETATM 3598 O HOH B1238 -14.018 30.780 12.943 1.00 55.03 O HETATM 3599 O HOH B1239 -7.773 8.322 22.825 1.00 48.51 O HETATM 3600 O HOH B1240 -17.008 31.631 16.076 1.00 57.61 O HETATM 3601 O HOH B1241 -14.193 33.987 23.649 1.00 51.50 O HETATM 3602 O HOH B1242 -10.073 21.817 3.902 1.00 72.64 O HETATM 3603 O HOH B1243 4.739 10.685 8.592 1.00 67.21 O HETATM 3604 O HOH B1244 6.147 12.886 12.728 1.00 54.20 O HETATM 3605 O HOH B1245 -8.836 22.797 26.605 1.00 29.60 O HETATM 3606 O HOH B1246 -4.280 28.646 4.683 1.00 61.54 O HETATM 3607 O HOH B1247 -1.345 20.455 3.727 1.00 56.31 O HETATM 3608 O HOH B1248 -3.052 8.910 21.548 1.00 62.08 O HETATM 3609 O HOH B1249 14.694 45.236 21.121 1.00 60.06 O HETATM 3610 O HOH B1250 -7.796 32.750 21.350 1.00 41.74 O HETATM 3611 O HOH B1251 -11.485 19.550 24.397 1.00 46.86 O HETATM 3612 O HOH B1252 -9.511 20.258 26.586 1.00 48.15 O HETATM 3613 O HOH B1253 -9.996 34.157 16.893 1.00 51.72 O HETATM 3614 O HOH B1254 0.789 18.445 5.357 1.00 47.13 O HETATM 3615 O HOH B1255 9.605 35.882 36.183 1.00 65.88 O HETATM 3616 O HOH B1256 7.447 35.516 38.878 1.00 76.24 O HETATM 3617 O HOH B1257 -4.671 6.896 20.626 1.00 59.36 O HETATM 3618 O HOH B1258 -10.608 34.966 14.025 1.00 73.57 O HETATM 3619 O HOH B1259 19.622 12.736 7.265 1.00 51.22 O HETATM 3620 O HOH B1260 -12.750 35.361 20.120 1.00 80.56 O HETATM 3621 O HOH B1261 -12.753 21.214 27.992 1.00 58.14 O HETATM 3622 O HOH B1262 -7.891 7.270 25.557 1.00 91.36 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 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 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