USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=90 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZ9 TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 105) 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 5PZ9 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. 2.01 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) : 2.01 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.58 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.6 REMARK 3 NUMBER OF REFLECTIONS : 28658 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) : 0.172 REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.216 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1469 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) : 2.01 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.06 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2070 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.55 REMARK 3 BIN R VALUE (WORKING SET) : 0.3100 REMARK 3 BIN FREE R VALUE SET COUNT : 115 REMARK 3 BIN FREE R VALUE : 0.2730 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) : 42.81 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08000 REMARK 3 B22 (A**2) : 0.49000 REMARK 3 B33 (A**2) : 0.48000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.18000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.178 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.160 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.127 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.977 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.956 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.017 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.751 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.051 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.565 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;35.805 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.595 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;14.714 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.114 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 4.098 ; 4.038 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 4.099 ; 4.032 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 6.311 ; 6.020 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 5PZ9 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_1001401299. 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 : 30129 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.010 REMARK 200 RESOLUTION RANGE LOW (A) : 28.580 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.1 REMARK 200 DATA REDUNDANCY : 3.500 REMARK 200 R MERGE (I) : 0.07800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.01 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.06 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.98400 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 (%): 55.59 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.77 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 63.89000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.80150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.89000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.80150 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B1156 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 803 O HOH A 1001 1.87 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.91 REMARK 500 O2 EDO B 903 O HOH B 1001 2.00 REMARK 500 O HOH A 1040 O HOH A 1266 2.04 REMARK 500 O HOH A 1181 O HOH A 1233 2.09 REMARK 500 O HOH A 1113 O HOH A 1233 2.09 REMARK 500 ND2 ASN A 823 O HOH A 1003 2.15 REMARK 500 O HOH A 1077 O HOH A 1281 2.16 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 A 829 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.6 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 -130.10 -107.07 REMARK 500 LYS A 737 93.57 70.77 REMARK 500 CYS A 754 75.92 -150.06 REMARK 500 ARG A 849 -114.08 56.40 REMARK 500 ASN B 709 15.09 59.53 REMARK 500 ASN B 738 103.99 -174.02 REMARK 500 PRO B 755 91.86 -64.97 REMARK 500 SER B 757 -161.26 -58.58 REMARK 500 GLN B 758 38.66 -67.12 REMARK 500 TYR B 801 -98.89 -119.64 REMARK 500 ASN B 802 76.49 -116.93 REMARK 500 GLU B 804 -81.00 -138.58 REMARK 500 ARG B 849 -108.80 59.14 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 756 149.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1313 DISTANCE = 6.45 ANGSTROMS REMARK 525 HOH A1314 DISTANCE = 6.54 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.28 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.51 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.91 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 111.4 REMARK 620 3 HIS A 725 ND1 98.2 98.4 REMARK 620 4 CYS A 728 SG 115.2 115.3 115.9 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 110.9 REMARK 620 3 CYS A 742 SG 107.0 107.0 REMARK 620 4 CYS A 745 SG 107.1 105.6 119.2 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 113.2 REMARK 620 3 HIS B 725 ND1 103.3 98.1 REMARK 620 4 CYS B 728 SG 112.3 114.9 113.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 111.0 REMARK 620 3 CYS B 742 SG 110.5 104.2 REMARK 620 4 CYS B 745 SG 109.6 107.8 113.6 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 5PZ9 A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZ9 B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 ASP B 789 1 18 HELIX 13 AB4 SER B 792 SER B 797 1 6 HELIX 14 AB5 TRP B 814 GLU B 824 1 11 HELIX 15 AB6 ARG B 829 ARG B 849 1 21 HELIX 16 AB7 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 LEU B 714 CYS B 716 0 SHEET 2 AA2 2 SER B 723 HIS B 725 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.21 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.37 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.13 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.23 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.19 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.28 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.41 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.35 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.91 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.20 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.39 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.12 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.37 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.16 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.35 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.28 CISPEP 1 ILE A 730 PRO A 731 0 -8.30 CISPEP 2 ASN A 738 PRO A 739 0 -10.27 CISPEP 3 ILE B 730 PRO B 731 0 -15.19 CISPEP 4 ASN B 738 PRO B 739 0 8.27 CISPEP 5 ARG B 803 GLU B 804 0 -6.71 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 14 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 14 HOH A1009 HOH A1039 HOH A1069 HOH A1121 SITE *** AC4 14 HOH A1181 HOH A1233 ARG B 753 PRO B 773 SITE *** AC4 14 GLU B 774 EDO B 903 SITE *** AC5 8 GLU A 763 SER A 764 LEU A 767 ARG A 838 SITE *** AC5 8 HOH A1055 HOH A1150 HOH A1163 HOH A1265 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 8 ARG A 803 MES A 904 HOH A1076 ARG B 746 SITE *** AC8 8 GLU B 774 HOH B1001 HOH B1044 HOH B1160 CRYST1 127.780 45.603 83.559 90.00 101.96 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 0.007826 0.000000 0.001658 0.00000 SCALE2 0.000000 0.021928 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012233 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= -0.1 X(o=-0.1,f=-0.16) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.1,f=-0.14) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 169:sc= 0.235 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.218 K(o=0.45,f=-1.2) USER MOD Set 3.1: B 813 MET CE :methyl 142:sc= -1 (180deg=-1.2) USER MOD Set 3.2: B 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 787 TYR OH : rot 6:sc= 1.33 USER MOD Set 4.2: B 816 ASN : amide:sc= 1.71 K(o=3,f=0.96) USER MOD Set 5.1: B 785 LYS NZ :NH3+ -168:sc= 0.175 (180deg=0) USER MOD Set 5.2: B 867 ASN : amide:sc= 1.13 K(o=1.3,f=0.32) USER MOD Set 6.1: B 771 MET CE :methyl 171:sc= 0 (180deg=-0.00171) USER MOD Set 6.2: B 776 GLN : amide:sc= 2.37 K(o=2.6,f=-0.16) USER MOD Set 6.3: B 779 CYS SG : rot 138:sc= 0.267 USER MOD Set 7.1: B 727 HIS : no HD1:sc= 0.341 K(o=0.71,f=-0.58) USER MOD Set 7.2: B 732 SER OG : rot -122:sc= 0.37 USER MOD Set 8.1: B 716 CYS SG A: rot -60:sc= 0.137 USER MOD Set 8.2: B 723 SER OG : rot 116:sc= 1.4 USER MOD Set 9.1: B 719 THR OG1 : rot 78:sc= 1.31 USER MOD Set 9.2: B 741 SER OG : rot -87:sc= 0.394 USER MOD Set10.1: A 791 LYS NZ :NH3+ 174:sc= 0.331 (180deg=0) USER MOD Set10.2: A 859 GLN : amide:sc= 0.287 K(o=0.62,f=-1) USER MOD Set11.1: A 787 TYR OH : rot -31:sc= 1.28 USER MOD Set11.2: A 816 ASN : amide:sc= 1.46 K(o=2.7,f=0.86) USER MOD Set12.1: A 771 MET CE :methyl 178:sc= 0 (180deg=-0.00598) USER MOD Set12.2: A 779 CYS SG : rot -95:sc= 0.577 USER MOD Set13.1: A 727 HIS : no HD1:sc= 0.552 K(o=1.3,f=-1.7) USER MOD Set13.2: A 732 SER OG : rot -121:sc= 0.723 USER MOD Set14.1: A 719 THR OG1 : rot 84:sc= 2.26 USER MOD Set14.2: A 741 SER OG : rot -67:sc= 1.29 USER MOD Set15.1: A 716 CYS SG : rot -47:sc= 0.287 USER MOD Set15.2: A 723 SER OG : rot 138:sc= 0.76 USER MOD Single : A 701 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.65) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 709 ASN : amide:sc= 0.577 X(o=0.58,f=0.092) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.56 K(o=1.6,f=-7.3!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 738 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 748 LYS NZ :NH3+ -176:sc=-0.00481 (180deg=-0.012) USER MOD Single : A 749 THR OG1 : rot 78:sc= 0.0396 USER MOD Single : A 751 GLN : amide:sc= -0.0545 K(o=-0.054,f=-1.3!) USER MOD Single : A 754 CYS SG A: rot 23:sc= 0.444 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.69 USER MOD Single : A 757 SER OG : rot -71:sc= 1.29 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 177:sc= 1.13 USER MOD Single : A 761 HIS : no HE2:sc= -0.995 K(o=-0.99,f=-1.9) USER MOD Single : A 762 GLN : amide:sc= -0.0715 X(o=-0.071,f=-0.071) USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 168:sc= 0 (180deg=-0.23) USER MOD Single : A 770 GLN : amide:sc=-0.00928 X(o=-0.0093,f=-0.43) USER MOD Single : A 776 GLN : amide:sc= 2.61 K(o=2.6,f=-0.39) USER MOD Single : A 778 LYS NZ A:NH3+ -126:sc= -2.07 (180deg=-2.91) 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= 0.0133 USER MOD Single : A 790 SER OG : rot 180:sc= 0 USER MOD Single : A 792 SER OG : rot -78:sc= 2.16 USER MOD Single : A 793 CYS SG : rot 170:sc= -0.232 USER MOD Single : A 797 SER OG : rot -59:sc= 0.102 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 40:sc= 2.43 USER MOD Single : A 802 ASN : amide:sc= -0.0285 K(o=-0.029,f=-1.1) USER MOD Single : A 806 SER OG : rot -156:sc= 1.12 USER MOD Single : A 807 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.72) USER MOD Single : A 810 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.061) USER MOD Single : A 811 LYS NZ :NH3+ -144:sc= 0.52 (180deg=0.166) USER MOD Single : A 813 MET CE :methyl 169:sc=-0.00115 (180deg=-0.201) USER MOD Single : A 817 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0924) USER MOD Single : A 819 LYS NZ :NH3+ 170:sc= 0.395 (180deg=0.37) USER MOD Single : A 820 THR OG1 : rot 84:sc= 0.00864 USER MOD Single : A 821 SER OG : rot 81:sc= 1.15 USER MOD Single : A 823 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 825 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.35) USER MOD Single : A 826 MET CE A:methyl -161:sc= -0.0889 (180deg=-0.442) USER MOD Single : A 826 MET CE B:methyl -144:sc= -2.25 (180deg=-2.7!) USER MOD Single : A 827 TYR OH : rot -18:sc= 1.42 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 837 MET CE :methyl -170:sc= 0 (180deg=-0.0876) USER MOD Single : A 842 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 843 ASN : amide:sc= 1.92 K(o=1.9,f=0.74) USER MOD Single : A 844 HIS : no HD1:sc= 1.61 K(o=1.6,f=-3.8!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ -140:sc= -0.0832 (180deg=-0.432) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.819 USER MOD Single : A 852 LYS NZ :NH3+ -162:sc= 0.956 (180deg=0.824) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -78:sc= 0.455 USER MOD Single : A 861 GLN : amide:sc= 0.0594 X(o=0.059,f=-0.22) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.07 K(o=2.1,f=1) USER MOD Single : A 870 ASN : amide:sc= 0.925 K(o=0.92,f=0.012) USER MOD Single : A 875 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.82) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0 USER MOD Single : A 905 EDO O1 : rot -89:sc= 1.31 USER MOD Single : A 905 EDO O2 : rot 180:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : B 702 SER OG : rot 180:sc= 0.156 USER MOD Single : B 703 ASN : amide:sc= 0.3 K(o=0.3,f=-3.1!) USER MOD Single : B 709 ASN : amide:sc= 0.011 X(o=0.011,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 13:sc= 0.6 USER MOD Single : B 729 HIS : no HE2:sc= 1.35 K(o=1.3,f=-7.5!) USER MOD Single : B 736 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.8!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 76:sc= 0.0411 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.0894 K(o=0.089,f=-0.5) 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 176:sc= -0.628 (180deg=-0.652) 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 67:sc= 0.0219 USER MOD Single : B 790 SER OG : rot 180:sc= 0 USER MOD Single : B 792 SER OG : rot -81:sc= 1.96 USER MOD Single : B 793 CYS SG : rot -84:sc= -0.157 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.0975 USER MOD Single : B 801 TYR OH : rot 49:sc= 0.521 USER MOD Single : B 802 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 811 LYS NZ :NH3+ -174:sc= 0.0985 (180deg=0.0901) USER MOD Single : B 819 LYS NZ :NH3+ -173:sc= 0.742 (180deg=0.709) USER MOD Single : B 820 THR OG1 : rot 89:sc= 0.239 USER MOD Single : B 821 SER OG : rot 75:sc= 0.17 USER MOD Single : B 823 ASN : amide:sc=-0.00241 X(o=-0.0024,f=0) USER MOD Single : B 825 GLN : amide:sc= 0.488 K(o=0.49,f=-2.6!) USER MOD Single : B 826 MET CE A:methyl -177:sc= 0 (180deg=-0.0148) USER MOD Single : B 826 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : B 827 TYR OH : rot 1:sc= 1.32 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 837 MET CE :methyl -155:sc= -0.108 (180deg=-0.679) USER MOD Single : B 842 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=-0.15) USER MOD Single : B 843 ASN : amide:sc= 1.17 K(o=1.2,f=-0.46) USER MOD Single : B 844 HIS : no HD1:sc= 1.39 K(o=1.4,f=-3.3!) USER MOD Single : B 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.491 USER MOD Single : B 852 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 854 THR OG1A: rot 180:sc= 0 USER MOD Single : B 854 THR OG1B: rot -95:sc= 1.34 USER MOD Single : B 861 GLN : amide:sc= 0.55 K(o=0.55,f=-0.43) USER MOD Single : B 866 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.22) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot -26:sc= 0.22 USER MOD Single : B 903 EDO O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.584 -4.901 -4.080 1.00 74.81 N ATOM 2 CA ASN A 701 15.135 -3.987 -3.036 1.00 75.90 C ATOM 3 C ASN A 701 14.118 -2.960 -2.556 1.00 74.04 C ATOM 4 O ASN A 701 13.202 -2.588 -3.288 1.00 67.99 O ATOM 5 CB ASN A 701 16.399 -3.272 -3.525 1.00 79.45 C ATOM 6 CG ASN A 701 17.593 -4.197 -3.568 1.00 88.94 C ATOM 7 OD1 ASN A 701 17.797 -4.875 -4.559 1.00 96.15 O ATOM 8 ND2 ASN A 701 18.380 -4.245 -2.486 1.00 86.69 N ATOM 0 HA ASN A 701 15.362 -4.554 -2.282 1.00 75.90 H new ATOM 0 HB2 ASN A 701 16.241 -2.908 -4.410 1.00 79.45 H new ATOM 0 HB3 ASN A 701 16.592 -2.523 -2.940 1.00 79.45 H new ATOM 0 HD21 ASN A 701 19.061 -4.770 -2.473 1.00 86.69 H new ATOM 0 HD22 ASN A 701 18.204 -3.751 -1.804 1.00 86.69 H new ATOM 9 N SER A 702 14.303 -2.491 -1.324 1.00 66.42 N ATOM 10 CA SER A 702 13.497 -1.404 -0.780 1.00 59.12 C ATOM 11 C SER A 702 13.652 -0.125 -1.634 1.00 54.50 C ATOM 12 O SER A 702 14.674 0.101 -2.290 1.00 53.52 O ATOM 13 CB SER A 702 13.880 -1.125 0.690 1.00 57.80 C ATOM 14 OG SER A 702 12.877 -0.369 1.390 1.00 51.19 O ATOM 0 H SER A 702 14.898 -2.794 -0.782 1.00 66.42 H new ATOM 0 HA SER A 702 12.566 -1.676 -0.807 1.00 59.12 H new ATOM 0 HB2 SER A 702 14.023 -1.968 1.149 1.00 57.80 H new ATOM 0 HB3 SER A 702 14.721 -0.642 0.715 1.00 57.80 H new ATOM 0 HG SER A 702 13.124 -0.242 2.183 1.00 51.19 H new ATOM 15 N ASN A 703 12.604 0.691 -1.617 1.00 56.78 N ATOM 16 CA ASN A 703 12.565 2.000 -2.295 1.00 61.87 C ATOM 17 C ASN A 703 12.852 3.141 -1.362 1.00 50.21 C ATOM 18 O ASN A 703 12.774 4.269 -1.811 1.00 42.08 O ATOM 19 CB ASN A 703 11.172 2.284 -2.922 1.00 69.80 C ATOM 20 CG ASN A 703 10.647 1.117 -3.715 1.00 89.42 C ATOM 21 OD1 ASN A 703 11.412 0.381 -4.356 1.00108.37 O ATOM 22 ND2 ASN A 703 9.339 0.920 -3.667 1.00101.64 N ATOM 0 H ASN A 703 11.874 0.501 -1.203 1.00 56.78 H new ATOM 0 HA ASN A 703 13.250 1.944 -2.979 1.00 61.87 H new ATOM 0 HB2 ASN A 703 10.542 2.502 -2.217 1.00 69.80 H new ATOM 0 HB3 ASN A 703 11.233 3.062 -3.499 1.00 69.80 H new ATOM 0 HD21 ASN A 703 8.988 0.260 -4.091 1.00101.64 H new ATOM 0 HD22 ASN A 703 8.840 1.452 -3.211 1.00101.64 H new ATOM 23 N ILE A 704 13.136 2.860 -0.076 1.00 46.06 N ATOM 24 CA ILE A 704 13.595 3.903 0.876 1.00 44.37 C ATOM 25 C ILE A 704 14.920 3.495 1.577 1.00 38.60 C ATOM 26 O ILE A 704 15.190 2.326 1.734 1.00 37.90 O ATOM 27 CB ILE A 704 12.495 4.281 1.912 1.00 45.77 C ATOM 28 CG1 ILE A 704 12.041 3.064 2.728 1.00 48.08 C ATOM 29 CG2 ILE A 704 11.294 4.862 1.203 1.00 49.90 C ATOM 30 CD1 ILE A 704 11.108 3.393 3.872 1.00 46.98 C ATOM 0 H ILE A 704 13.070 2.074 0.267 1.00 46.06 H new ATOM 0 HA ILE A 704 13.774 4.699 0.352 1.00 44.37 H new ATOM 0 HB ILE A 704 12.881 4.934 2.516 1.00 45.77 H new ATOM 0 HG12 ILE A 704 11.599 2.437 2.135 1.00 48.08 H new ATOM 0 HG13 ILE A 704 12.824 2.615 3.083 1.00 48.08 H new ATOM 0 HG21 ILE A 704 10.614 5.094 1.855 1.00 49.90 H new ATOM 0 HG22 ILE A 704 11.559 5.657 0.715 1.00 49.90 H new ATOM 0 HG23 ILE A 704 10.936 4.208 0.583 1.00 49.90 H new ATOM 0 HD11 ILE A 704 10.867 2.577 4.338 1.00 46.98 H new ATOM 0 HD12 ILE A 704 11.551 3.997 4.488 1.00 46.98 H new ATOM 0 HD13 ILE A 704 10.307 3.816 3.525 1.00 46.98 H new ATOM 31 N CYS A 705 15.703 4.491 1.967 1.00 37.45 N ATOM 32 CA CYS A 705 16.903 4.328 2.783 1.00 37.35 C ATOM 33 C CYS A 705 16.567 3.658 4.118 1.00 34.34 C ATOM 34 O CYS A 705 15.698 4.094 4.851 1.00 32.63 O ATOM 35 CB CYS A 705 17.560 5.672 3.001 1.00 39.73 C ATOM 36 SG CYS A 705 19.069 5.606 4.019 1.00 35.36 S ATOM 0 H CYS A 705 15.547 5.310 1.758 1.00 37.45 H new ATOM 0 HA CYS A 705 17.525 3.750 2.314 1.00 37.35 H new ATOM 0 HB2 CYS A 705 17.780 6.057 2.138 1.00 39.73 H new ATOM 0 HB3 CYS A 705 16.922 6.268 3.424 1.00 39.73 H new ATOM 37 N GLU A 706 17.262 2.570 4.392 1.00 32.53 N ATOM 38 CA GLU A 706 17.120 1.838 5.626 1.00 33.57 C ATOM 39 C GLU A 706 17.351 2.663 6.887 1.00 29.67 C ATOM 40 O GLU A 706 16.708 2.416 7.856 1.00 28.26 O ATOM 41 CB GLU A 706 18.083 0.647 5.639 1.00 37.31 C ATOM 42 CG GLU A 706 17.808 -0.322 6.778 1.00 40.52 C ATOM 43 CD GLU A 706 16.704 -1.297 6.465 1.00 45.23 C ATOM 44 OE1 GLU A 706 16.028 -1.201 5.422 1.00 57.41 O ATOM 45 OE2 GLU A 706 16.544 -2.214 7.240 1.00 45.88 O ATOM 0 H GLU A 706 17.841 2.232 3.853 1.00 32.53 H new ATOM 0 HA GLU A 706 16.193 1.552 5.647 1.00 33.57 H new ATOM 0 HB2 GLU A 706 18.017 0.174 4.795 1.00 37.31 H new ATOM 0 HB3 GLU A 706 18.994 0.974 5.711 1.00 37.31 H new ATOM 0 HG2 GLU A 706 18.619 -0.813 6.981 1.00 40.52 H new ATOM 0 HG3 GLU A 706 17.574 0.180 7.574 1.00 40.52 H new ATOM 46 N VAL A 707 18.232 3.651 6.834 1.00 31.30 N ATOM 47 CA VAL A 707 18.643 4.448 7.989 1.00 30.28 C ATOM 48 C VAL A 707 17.676 5.623 8.266 1.00 35.92 C ATOM 49 O VAL A 707 17.197 5.818 9.413 1.00 33.09 O ATOM 50 CB VAL A 707 20.075 5.000 7.807 1.00 28.09 C ATOM 51 CG1 VAL A 707 20.485 5.779 9.006 1.00 32.18 C ATOM 52 CG2 VAL A 707 21.089 3.860 7.563 1.00 31.07 C ATOM 0 H VAL A 707 18.621 3.886 6.104 1.00 31.30 H new ATOM 0 HA VAL A 707 18.622 3.849 8.752 1.00 30.28 H new ATOM 0 HB VAL A 707 20.070 5.580 7.029 1.00 28.09 H new ATOM 0 HG11 VAL A 707 21.384 6.119 8.879 1.00 32.18 H new ATOM 0 HG12 VAL A 707 19.874 6.521 9.134 1.00 32.18 H new ATOM 0 HG13 VAL A 707 20.464 5.205 9.788 1.00 32.18 H new ATOM 0 HG21 VAL A 707 21.977 4.235 7.453 1.00 31.07 H new ATOM 0 HG22 VAL A 707 21.086 3.256 8.322 1.00 31.07 H new ATOM 0 HG23 VAL A 707 20.842 3.373 6.761 1.00 31.07 H new ATOM 53 N CYS A 708 17.450 6.434 7.233 1.00 31.58 N ATOM 54 CA CYS A 708 16.671 7.671 7.385 1.00 34.28 C ATOM 55 C CYS A 708 15.226 7.546 6.838 1.00 35.84 C ATOM 56 O CYS A 708 14.461 8.511 6.967 1.00 36.44 O ATOM 57 CB CYS A 708 17.411 8.843 6.748 1.00 33.21 C ATOM 58 SG CYS A 708 17.292 8.815 4.946 1.00 34.89 S ATOM 0 H CYS A 708 17.737 6.289 6.435 1.00 31.58 H new ATOM 0 HA CYS A 708 16.581 7.839 8.336 1.00 34.28 H new ATOM 0 HB2 CYS A 708 17.045 9.677 7.083 1.00 33.21 H new ATOM 0 HB3 CYS A 708 18.344 8.817 7.011 1.00 33.21 H new ATOM 59 N ASN A 709 14.852 6.384 6.276 1.00 36.40 N ATOM 60 CA ASN A 709 13.511 6.160 5.723 1.00 40.09 C ATOM 61 C ASN A 709 12.967 7.092 4.631 1.00 45.12 C ATOM 62 O ASN A 709 11.754 7.208 4.483 1.00 42.53 O ATOM 63 CB ASN A 709 12.542 6.145 6.871 1.00 42.99 C ATOM 64 CG ASN A 709 12.926 5.099 7.881 1.00 49.83 C ATOM 65 OD1 ASN A 709 13.390 5.403 8.974 1.00 52.23 O ATOM 66 ND2 ASN A 709 12.818 3.862 7.480 1.00 52.44 N ATOM 0 H ASN A 709 15.374 5.704 6.207 1.00 36.40 H new ATOM 0 HA ASN A 709 13.607 5.323 5.243 1.00 40.09 H new ATOM 0 HB2 ASN A 709 12.522 7.017 7.294 1.00 42.99 H new ATOM 0 HB3 ASN A 709 11.647 5.969 6.542 1.00 42.99 H new ATOM 0 HD21 ASN A 709 13.078 3.220 7.990 1.00 52.44 H new ATOM 0 HD22 ASN A 709 12.487 3.688 6.706 1.00 52.44 H new ATOM 67 N LYS A 710 13.859 7.766 3.906 1.00 41.23 N ATOM 68 CA LYS A 710 13.506 8.628 2.781 1.00 44.73 C ATOM 69 C LYS A 710 13.955 7.982 1.448 1.00 48.89 C ATOM 70 O LYS A 710 14.860 7.117 1.398 1.00 43.51 O ATOM 71 CB LYS A 710 14.197 9.969 2.879 1.00 37.72 C ATOM 72 CG LYS A 710 13.869 10.760 4.113 1.00 45.52 C ATOM 73 CD LYS A 710 12.462 11.308 4.087 1.00 47.94 C ATOM 74 CE LYS A 710 12.246 12.353 5.169 1.00 55.46 C ATOM 75 NZ LYS A 710 12.078 11.693 6.505 1.00 62.42 N ATOM 0 H LYS A 710 14.705 7.733 4.059 1.00 41.23 H new ATOM 0 HA LYS A 710 12.543 8.745 2.806 1.00 44.73 H new ATOM 0 HB2 LYS A 710 15.156 9.827 2.847 1.00 37.72 H new ATOM 0 HB3 LYS A 710 13.962 10.497 2.100 1.00 37.72 H new ATOM 0 HG2 LYS A 710 13.980 10.196 4.895 1.00 45.52 H new ATOM 0 HG3 LYS A 710 14.498 11.493 4.201 1.00 45.52 H new ATOM 0 HD2 LYS A 710 12.283 11.700 3.218 1.00 47.94 H new ATOM 0 HD3 LYS A 710 11.830 10.582 4.207 1.00 47.94 H new ATOM 0 HE2 LYS A 710 13.001 12.962 5.195 1.00 55.46 H new ATOM 0 HE3 LYS A 710 11.461 12.884 4.963 1.00 55.46 H new ATOM 0 HZ1 LYS A 710 11.952 12.314 7.130 1.00 62.42 H new ATOM 0 HZ2 LYS A 710 11.373 11.150 6.482 1.00 62.42 H new ATOM 0 HZ3 LYS A 710 12.808 11.223 6.698 1.00 62.42 H new ATOM 76 N TRP A 711 13.315 8.426 0.367 1.00 47.44 N ATOM 77 CA TRP A 711 13.694 8.042 -0.983 1.00 42.21 C ATOM 78 C TRP A 711 14.779 9.002 -1.424 1.00 38.56 C ATOM 79 O TRP A 711 15.195 9.907 -0.656 1.00 45.20 O ATOM 80 CB TRP A 711 12.448 8.001 -1.912 1.00 46.54 C ATOM 81 CG TRP A 711 12.750 7.741 -3.304 1.00 39.54 C ATOM 82 CD1 TRP A 711 13.126 6.566 -3.836 1.00 41.62 C ATOM 83 CD2 TRP A 711 12.792 8.700 -4.361 1.00 40.53 C ATOM 84 NE1 TRP A 711 13.389 6.715 -5.169 1.00 42.24 N ATOM 85 CE2 TRP A 711 13.187 8.018 -5.516 1.00 38.72 C ATOM 86 CE3 TRP A 711 12.491 10.061 -4.449 1.00 38.64 C ATOM 87 CZ2 TRP A 711 13.290 8.645 -6.755 1.00 40.86 C ATOM 88 CZ3 TRP A 711 12.599 10.685 -5.681 1.00 41.36 C ATOM 89 CH2 TRP A 711 12.976 9.971 -6.816 1.00 35.88 C ATOM 0 H TRP A 711 12.644 8.963 0.401 1.00 47.44 H new ATOM 0 HA TRP A 711 14.051 7.141 -1.024 1.00 42.21 H new ATOM 0 HB2 TRP A 711 11.841 7.316 -1.591 1.00 46.54 H new ATOM 0 HB3 TRP A 711 11.981 8.848 -1.846 1.00 46.54 H new ATOM 0 HD1 TRP A 711 13.197 5.767 -3.365 1.00 41.62 H new ATOM 0 HE1 TRP A 711 13.641 6.089 -5.702 1.00 42.24 H new ATOM 0 HE3 TRP A 711 12.224 10.538 -3.697 1.00 38.64 H new ATOM 0 HZ2 TRP A 711 13.562 8.178 -7.512 1.00 40.86 H new ATOM 0 HZ3 TRP A 711 12.417 11.594 -5.751 1.00 41.36 H new ATOM 0 HH2 TRP A 711 13.015 10.409 -7.635 1.00 35.88 H new ATOM 90 N GLY A 712 15.376 8.700 -2.578 1.00 38.24 N ATOM 91 CA GLY A 712 16.404 9.559 -3.155 1.00 38.54 C ATOM 92 C GLY A 712 17.407 8.747 -3.959 1.00 35.83 C ATOM 93 O GLY A 712 17.059 7.698 -4.512 1.00 39.40 O ATOM 0 H GLY A 712 15.197 7.998 -3.042 1.00 38.24 H new ATOM 0 HA2 GLY A 712 15.990 10.225 -3.726 1.00 38.54 H new ATOM 0 HA3 GLY A 712 16.864 10.038 -2.448 1.00 38.54 H new ATOM 94 N ARG A 713 18.647 9.232 -4.039 1.00 38.72 N ATOM 95 CA ARG A 713 19.743 8.459 -4.648 1.00 39.38 C ATOM 96 C ARG A 713 20.170 7.298 -3.711 1.00 41.47 C ATOM 97 O ARG A 713 20.978 7.466 -2.831 1.00 41.91 O ATOM 98 CB ARG A 713 20.920 9.370 -4.993 1.00 46.21 C ATOM 99 CG ARG A 713 22.077 8.697 -5.728 1.00 54.49 C ATOM 100 CD ARG A 713 21.659 7.995 -7.028 1.00 67.03 C ATOM 101 NE ARG A 713 22.728 7.167 -7.597 1.00 72.68 N ATOM 102 CZ ARG A 713 22.736 5.834 -7.726 1.00 76.94 C ATOM 103 NH1 ARG A 713 23.815 5.261 -8.252 1.00 84.66 N ATOM 104 NH2 ARG A 713 21.722 5.059 -7.340 1.00 71.85 N ATOM 0 H ARG A 713 18.879 10.007 -3.747 1.00 38.72 H new ATOM 0 HA ARG A 713 19.427 8.068 -5.478 1.00 39.38 H new ATOM 0 HB2 ARG A 713 20.593 10.103 -5.538 1.00 46.21 H new ATOM 0 HB3 ARG A 713 21.261 9.758 -4.172 1.00 46.21 H new ATOM 0 HG2 ARG A 713 22.751 9.364 -5.932 1.00 54.49 H new ATOM 0 HG3 ARG A 713 22.490 8.048 -5.138 1.00 54.49 H new ATOM 0 HD2 ARG A 713 20.883 7.440 -6.855 1.00 67.03 H new ATOM 0 HD3 ARG A 713 21.391 8.662 -7.679 1.00 67.03 H new ATOM 0 HE ARG A 713 23.426 7.583 -7.879 1.00 72.68 H new ATOM 0 HH11 ARG A 713 24.482 5.745 -8.498 1.00 84.66 H new ATOM 0 HH12 ARG A 713 23.846 4.407 -8.346 1.00 84.66 H new ATOM 0 HH21 ARG A 713 21.020 5.412 -6.989 1.00 71.85 H new ATOM 0 HH22 ARG A 713 21.770 4.206 -7.442 1.00 71.85 H new ATOM 105 N LEU A 714 19.639 6.122 -3.948 1.00 40.46 N ATOM 106 CA LEU A 714 19.910 4.941 -3.162 1.00 44.95 C ATOM 107 C LEU A 714 20.820 3.934 -3.886 1.00 51.15 C ATOM 108 O LEU A 714 20.729 3.757 -5.104 1.00 45.64 O ATOM 109 CB LEU A 714 18.597 4.219 -2.914 1.00 42.38 C ATOM 110 CG LEU A 714 17.496 5.031 -2.278 1.00 42.53 C ATOM 111 CD1 LEU A 714 16.258 4.182 -2.234 1.00 41.39 C ATOM 112 CD2 LEU A 714 17.884 5.492 -0.894 1.00 45.41 C ATOM 0 H LEU A 714 19.090 5.981 -4.595 1.00 40.46 H new ATOM 0 HA LEU A 714 20.349 5.239 -2.350 1.00 44.95 H new ATOM 0 HB2 LEU A 714 18.272 3.878 -3.762 1.00 42.38 H new ATOM 0 HB3 LEU A 714 18.774 3.451 -2.349 1.00 42.38 H new ATOM 0 HG LEU A 714 17.333 5.830 -2.803 1.00 42.53 H new ATOM 0 HD11 LEU A 714 15.535 4.685 -1.828 1.00 41.39 H new ATOM 0 HD12 LEU A 714 16.008 3.928 -3.136 1.00 41.39 H new ATOM 0 HD13 LEU A 714 16.431 3.384 -1.710 1.00 41.39 H new ATOM 0 HD21 LEU A 714 17.159 6.010 -0.510 1.00 45.41 H new ATOM 0 HD22 LEU A 714 18.061 4.720 -0.334 1.00 45.41 H new ATOM 0 HD23 LEU A 714 18.681 6.042 -0.948 1.00 45.41 H new ATOM 113 N PHE A 715 21.662 3.265 -3.099 1.00 48.89 N ATOM 114 CA PHE A 715 22.462 2.099 -3.513 1.00 42.48 C ATOM 115 C PHE A 715 21.859 0.821 -2.925 1.00 41.73 C ATOM 116 O PHE A 715 21.479 0.791 -1.776 1.00 49.25 O ATOM 117 CB PHE A 715 23.868 2.335 -3.033 1.00 43.36 C ATOM 118 CG PHE A 715 24.465 3.603 -3.557 1.00 44.38 C ATOM 119 CD1 PHE A 715 25.228 3.592 -4.714 1.00 49.23 C ATOM 120 CD2 PHE A 715 24.225 4.800 -2.947 1.00 47.55 C ATOM 121 CE1 PHE A 715 25.791 4.746 -5.211 1.00 50.81 C ATOM 122 CE2 PHE A 715 24.776 5.973 -3.437 1.00 50.22 C ATOM 123 CZ PHE A 715 25.559 5.948 -4.581 1.00 52.53 C ATOM 0 H PHE A 715 21.791 3.482 -2.277 1.00 48.89 H new ATOM 0 HA PHE A 715 22.464 1.988 -4.477 1.00 42.48 H new ATOM 0 HB2 PHE A 715 23.873 2.359 -2.063 1.00 43.36 H new ATOM 0 HB3 PHE A 715 24.425 1.587 -3.301 1.00 43.36 H new ATOM 0 HD1 PHE A 715 25.362 2.789 -5.164 1.00 49.23 H new ATOM 0 HD2 PHE A 715 23.684 4.829 -2.191 1.00 47.55 H new ATOM 0 HE1 PHE A 715 26.327 4.714 -5.970 1.00 50.81 H new ATOM 0 HE2 PHE A 715 24.620 6.778 -2.998 1.00 50.22 H new ATOM 0 HZ PHE A 715 25.923 6.734 -4.919 1.00 52.53 H new ATOM 124 N CYS A 716 21.778 -0.255 -3.680 1.00 43.08 N ATOM 125 CA CYS A 716 21.012 -1.410 -3.250 1.00 48.23 C ATOM 126 C CYS A 716 21.926 -2.550 -2.791 1.00 51.16 C ATOM 127 O CYS A 716 22.975 -2.750 -3.356 1.00 59.54 O ATOM 128 CB CYS A 716 20.047 -1.845 -4.371 1.00 58.28 C ATOM 129 SG CYS A 716 18.573 -0.789 -4.647 1.00 61.43 S ATOM 0 H CYS A 716 22.159 -0.340 -4.446 1.00 43.08 H new ATOM 0 HA CYS A 716 20.480 -1.164 -2.477 1.00 48.23 H new ATOM 0 HB2 CYS A 716 20.547 -1.889 -5.201 1.00 58.28 H new ATOM 0 HB3 CYS A 716 19.742 -2.745 -4.176 1.00 58.28 H new ATOM 0 HG CYS A 716 18.051 -0.547 -3.594 1.00 61.43 H new ATOM 130 N CYS A 717 21.575 -3.255 -1.718 1.00 49.70 N ATOM 131 CA CYS A 717 22.431 -4.358 -1.292 1.00 57.28 C ATOM 132 C CYS A 717 22.208 -5.470 -2.327 1.00 57.60 C ATOM 133 O CYS A 717 21.053 -5.693 -2.732 1.00 60.40 O ATOM 134 CB CYS A 717 22.080 -4.820 0.117 1.00 50.41 C ATOM 135 SG CYS A 717 23.201 -6.041 0.827 1.00 46.80 S ATOM 0 H CYS A 717 20.874 -3.119 -1.239 1.00 49.70 H new ATOM 0 HA CYS A 717 23.364 -4.094 -1.252 1.00 57.28 H new ATOM 0 HB2 CYS A 717 22.058 -4.045 0.700 1.00 50.41 H new ATOM 0 HB3 CYS A 717 21.184 -5.192 0.106 1.00 50.41 H new ATOM 136 N ASP A 718 23.286 -6.141 -2.753 1.00 53.84 N ATOM 137 CA ASP A 718 23.158 -7.308 -3.646 1.00 53.02 C ATOM 138 C ASP A 718 22.791 -8.576 -2.895 1.00 60.85 C ATOM 139 O ASP A 718 22.266 -9.501 -3.510 1.00 70.17 O ATOM 140 CB ASP A 718 24.389 -7.465 -4.537 1.00 53.17 C ATOM 141 CG ASP A 718 24.445 -6.400 -5.622 1.00 52.19 C ATOM 142 OD1 ASP A 718 23.457 -6.297 -6.344 1.00 63.95 O ATOM 143 OD2 ASP A 718 25.437 -5.645 -5.787 1.00 56.93 O ATOM 0 H ASP A 718 24.095 -5.941 -2.540 1.00 53.84 H new ATOM 0 HA ASP A 718 22.410 -7.140 -4.240 1.00 53.02 H new ATOM 0 HB2 ASP A 718 25.190 -7.414 -3.993 1.00 53.17 H new ATOM 0 HB3 ASP A 718 24.381 -8.344 -4.947 1.00 53.17 H new ATOM 144 N THR A 719 22.957 -8.612 -1.567 1.00 56.53 N ATOM 145 CA THR A 719 22.654 -9.822 -0.815 1.00 51.13 C ATOM 146 C THR A 719 21.456 -9.746 0.085 1.00 48.09 C ATOM 147 O THR A 719 21.147 -10.726 0.734 1.00 54.04 O ATOM 148 CB THR A 719 23.895 -10.316 -0.033 1.00 59.49 C ATOM 149 OG1 THR A 719 24.563 -9.218 0.611 1.00 56.11 O ATOM 150 CG2 THR A 719 24.866 -10.954 -1.010 1.00 59.71 C ATOM 0 H THR A 719 23.241 -7.952 -1.093 1.00 56.53 H new ATOM 0 HA THR A 719 22.410 -10.470 -1.494 1.00 51.13 H new ATOM 0 HB THR A 719 23.605 -10.952 0.640 1.00 59.49 H new ATOM 0 HG1 THR A 719 24.194 -9.060 1.349 1.00 56.11 H new ATOM 0 HG21 THR A 719 25.649 -11.268 -0.530 1.00 59.71 H new ATOM 0 HG22 THR A 719 24.436 -11.703 -1.451 1.00 59.71 H new ATOM 0 HG23 THR A 719 25.135 -10.299 -1.673 1.00 59.71 H new ATOM 151 N CYS A 720 20.785 -8.604 0.180 1.00 47.22 N ATOM 152 CA CYS A 720 19.518 -8.521 0.963 1.00 46.76 C ATOM 153 C CYS A 720 18.724 -7.424 0.313 1.00 37.38 C ATOM 154 O CYS A 720 19.262 -6.727 -0.520 1.00 40.30 O ATOM 155 CB CYS A 720 19.744 -8.207 2.474 1.00 48.94 C ATOM 156 SG CYS A 720 20.275 -6.493 2.860 1.00 44.90 S ATOM 0 H CYS A 720 21.028 -7.867 -0.190 1.00 47.22 H new ATOM 0 HA CYS A 720 19.063 -9.377 0.952 1.00 46.76 H new ATOM 0 HB2 CYS A 720 18.919 -8.388 2.952 1.00 48.94 H new ATOM 0 HB3 CYS A 720 20.412 -8.820 2.818 1.00 48.94 H new ATOM 157 N PRO A 721 17.486 -7.221 0.739 1.00 44.26 N ATOM 158 CA PRO A 721 16.712 -6.164 0.092 1.00 47.87 C ATOM 159 C PRO A 721 16.921 -4.708 0.576 1.00 51.51 C ATOM 160 O PRO A 721 16.197 -3.821 0.107 1.00 52.33 O ATOM 161 CB PRO A 721 15.263 -6.618 0.295 1.00 45.03 C ATOM 162 CG PRO A 721 15.269 -7.573 1.425 1.00 47.03 C ATOM 163 CD PRO A 721 16.690 -7.975 1.724 1.00 44.83 C ATOM 0 HA PRO A 721 17.004 -6.082 -0.829 1.00 47.87 H new ATOM 0 HB2 PRO A 721 14.689 -5.860 0.488 1.00 45.03 H new ATOM 0 HB3 PRO A 721 14.918 -7.038 -0.509 1.00 45.03 H new ATOM 0 HG2 PRO A 721 14.864 -7.168 2.208 1.00 47.03 H new ATOM 0 HG3 PRO A 721 14.739 -8.355 1.205 1.00 47.03 H new ATOM 0 HD2 PRO A 721 16.940 -7.747 2.633 1.00 44.83 H new ATOM 0 HD3 PRO A 721 16.817 -8.932 1.626 1.00 44.83 H new ATOM 164 N ARG A 722 17.896 -4.421 1.433 1.00 42.46 N ATOM 165 CA ARG A 722 18.016 -3.027 1.942 1.00 44.76 C ATOM 166 C ARG A 722 18.648 -2.105 0.970 1.00 37.95 C ATOM 167 O ARG A 722 19.434 -2.539 0.128 1.00 41.33 O ATOM 168 CB ARG A 722 18.836 -2.943 3.241 1.00 45.67 C ATOM 169 CG ARG A 722 18.281 -3.825 4.342 1.00 43.75 C ATOM 170 CD ARG A 722 19.198 -3.883 5.530 1.00 39.90 C ATOM 171 NE ARG A 722 18.527 -4.573 6.629 1.00 38.57 N ATOM 172 CZ ARG A 722 18.695 -5.857 6.899 1.00 36.77 C ATOM 173 NH1 ARG A 722 19.479 -6.629 6.139 1.00 41.45 N ATOM 174 NH2 ARG A 722 18.096 -6.366 7.912 1.00 35.80 N ATOM 0 H ARG A 722 18.480 -4.979 1.729 1.00 42.46 H new ATOM 0 HA ARG A 722 17.098 -2.756 2.102 1.00 44.76 H new ATOM 0 HB2 ARG A 722 19.753 -3.200 3.057 1.00 45.67 H new ATOM 0 HB3 ARG A 722 18.855 -2.023 3.548 1.00 45.67 H new ATOM 0 HG2 ARG A 722 17.414 -3.489 4.619 1.00 43.75 H new ATOM 0 HG3 ARG A 722 18.141 -4.721 3.998 1.00 43.75 H new ATOM 0 HD2 ARG A 722 20.017 -4.347 5.296 1.00 39.90 H new ATOM 0 HD3 ARG A 722 19.447 -2.986 5.802 1.00 39.90 H new ATOM 0 HE ARG A 722 17.993 -4.119 7.128 1.00 38.57 H new ATOM 0 HH11 ARG A 722 19.885 -6.293 5.460 1.00 41.45 H new ATOM 0 HH12 ARG A 722 19.577 -7.462 6.329 1.00 41.45 H new ATOM 0 HH21 ARG A 722 17.593 -5.874 8.406 1.00 35.80 H new ATOM 0 HH22 ARG A 722 18.198 -7.200 8.097 1.00 35.80 H new ATOM 175 N SER A 723 18.356 -0.807 1.119 1.00 38.01 N ATOM 176 CA SER A 723 19.028 0.246 0.311 1.00 35.84 C ATOM 177 C SER A 723 19.421 1.432 1.171 1.00 37.43 C ATOM 178 O SER A 723 18.798 1.657 2.227 1.00 37.52 O ATOM 179 CB SER A 723 18.117 0.752 -0.860 1.00 45.65 C ATOM 180 OG SER A 723 17.433 -0.348 -1.524 1.00 47.73 O ATOM 0 H SER A 723 17.775 -0.508 1.678 1.00 38.01 H new ATOM 0 HA SER A 723 19.824 -0.163 -0.063 1.00 35.84 H new ATOM 0 HB2 SER A 723 17.462 1.378 -0.514 1.00 45.65 H new ATOM 0 HB3 SER A 723 18.657 1.234 -1.505 1.00 45.65 H new ATOM 0 HG SER A 723 16.636 -0.131 -1.678 1.00 47.73 H new ATOM 181 N PHE A 724 20.409 2.209 0.698 1.00 32.77 N ATOM 182 CA PHE A 724 21.034 3.252 1.486 1.00 31.91 C ATOM 183 C PHE A 724 21.316 4.451 0.660 1.00 34.49 C ATOM 184 O PHE A 724 21.775 4.319 -0.427 1.00 31.71 O ATOM 185 CB PHE A 724 22.376 2.733 2.102 1.00 31.59 C ATOM 186 CG PHE A 724 22.179 1.525 2.981 1.00 31.78 C ATOM 187 CD1 PHE A 724 22.033 0.264 2.423 1.00 32.01 C ATOM 188 CD2 PHE A 724 22.013 1.668 4.380 1.00 30.04 C ATOM 189 CE1 PHE A 724 21.762 -0.864 3.222 1.00 32.71 C ATOM 190 CE2 PHE A 724 21.748 0.548 5.169 1.00 30.99 C ATOM 191 CZ PHE A 724 21.621 -0.722 4.588 1.00 32.24 C ATOM 0 H PHE A 724 20.729 2.135 -0.097 1.00 32.77 H new ATOM 0 HA PHE A 724 20.417 3.495 2.194 1.00 31.91 H new ATOM 0 HB2 PHE A 724 22.992 2.511 1.387 1.00 31.59 H new ATOM 0 HB3 PHE A 724 22.786 3.443 2.620 1.00 31.59 H new ATOM 0 HD1 PHE A 724 22.116 0.161 1.502 1.00 32.01 H new ATOM 0 HD2 PHE A 724 22.081 2.508 4.773 1.00 30.04 H new ATOM 0 HE1 PHE A 724 21.678 -1.703 2.830 1.00 32.71 H new ATOM 0 HE2 PHE A 724 21.655 0.645 6.089 1.00 30.99 H new ATOM 0 HZ PHE A 724 21.443 -1.464 5.120 1.00 32.24 H new ATOM 192 N HIS A 725 21.160 5.645 1.231 1.00 37.01 N ATOM 193 CA HIS A 725 21.865 6.762 0.684 1.00 35.63 C ATOM 194 C HIS A 725 23.346 6.505 0.923 1.00 40.76 C ATOM 195 O HIS A 725 23.721 5.777 1.860 1.00 37.40 O ATOM 196 CB HIS A 725 21.520 8.080 1.398 1.00 40.05 C ATOM 197 CG HIS A 725 20.121 8.535 1.168 1.00 43.83 C ATOM 198 ND1 HIS A 725 19.111 8.294 2.059 1.00 42.45 N ATOM 199 CD2 HIS A 725 19.544 9.146 0.105 1.00 49.14 C ATOM 200 CE1 HIS A 725 17.978 8.781 1.596 1.00 42.66 C ATOM 201 NE2 HIS A 725 18.213 9.303 0.402 1.00 48.67 N ATOM 0 H HIS A 725 20.664 5.812 1.913 1.00 37.01 H new ATOM 0 HA HIS A 725 21.627 6.849 -0.252 1.00 35.63 H new ATOM 0 HB2 HIS A 725 21.664 7.970 2.351 1.00 40.05 H new ATOM 0 HB3 HIS A 725 22.130 8.771 1.097 1.00 40.05 H new ATOM 0 HD2 HIS A 725 19.970 9.410 -0.679 1.00 49.14 H new ATOM 0 HE1 HIS A 725 17.157 8.762 2.032 1.00 42.66 H new ATOM 0 HE2 HIS A 725 17.628 9.679 -0.104 1.00 48.67 H new ATOM 202 N GLU A 726 24.164 7.219 0.159 1.00 39.69 N ATOM 203 CA GLU A 726 25.610 7.063 0.133 1.00 45.13 C ATOM 204 C GLU A 726 26.242 7.285 1.485 1.00 41.36 C ATOM 205 O GLU A 726 27.017 6.468 1.925 1.00 43.91 O ATOM 206 CB GLU A 726 26.235 8.072 -0.839 1.00 46.77 C ATOM 207 CG GLU A 726 27.757 8.048 -0.906 1.00 52.41 C ATOM 208 CD GLU A 726 28.336 8.963 -1.986 1.00 60.33 C ATOM 209 OE1 GLU A 726 27.565 9.777 -2.524 1.00 59.29 O ATOM 210 OE2 GLU A 726 29.556 8.866 -2.294 1.00 58.02 O ATOM 0 H GLU A 726 23.881 7.829 -0.377 1.00 39.69 H new ATOM 0 HA GLU A 726 25.778 6.150 -0.148 1.00 45.13 H new ATOM 0 HB2 GLU A 726 25.883 7.905 -1.727 1.00 46.77 H new ATOM 0 HB3 GLU A 726 25.950 8.964 -0.585 1.00 46.77 H new ATOM 0 HG2 GLU A 726 28.115 8.311 -0.044 1.00 52.41 H new ATOM 0 HG3 GLU A 726 28.052 7.139 -1.071 1.00 52.41 H new ATOM 211 N HIS A 727 25.920 8.408 2.102 1.00 36.72 N ATOM 212 CA HIS A 727 26.474 8.789 3.398 1.00 40.03 C ATOM 213 C HIS A 727 25.593 8.378 4.633 1.00 35.33 C ATOM 214 O HIS A 727 25.947 8.672 5.749 1.00 35.05 O ATOM 215 CB HIS A 727 26.761 10.283 3.403 1.00 39.53 C ATOM 216 CG HIS A 727 27.805 10.696 2.421 1.00 48.68 C ATOM 217 ND1 HIS A 727 28.948 9.955 2.187 1.00 59.16 N ATOM 218 CD2 HIS A 727 27.917 11.803 1.658 1.00 55.49 C ATOM 219 CE1 HIS A 727 29.708 10.579 1.308 1.00 60.68 C ATOM 220 NE2 HIS A 727 29.103 11.703 0.971 1.00 64.42 N ATOM 0 H HIS A 727 25.366 8.982 1.779 1.00 36.72 H new ATOM 0 HA HIS A 727 27.296 8.286 3.506 1.00 40.03 H new ATOM 0 HB2 HIS A 727 25.940 10.763 3.211 1.00 39.53 H new ATOM 0 HB3 HIS A 727 27.043 10.547 4.293 1.00 39.53 H new ATOM 0 HD2 HIS A 727 27.306 12.502 1.607 1.00 55.49 H new ATOM 0 HE1 HIS A 727 30.526 10.280 0.983 1.00 60.68 H new ATOM 0 HE2 HIS A 727 29.404 12.281 0.410 1.00 64.42 H new ATOM 221 N CYS A 728 24.483 7.689 4.414 1.00 34.27 N ATOM 222 CA CYS A 728 23.705 7.069 5.501 1.00 31.74 C ATOM 223 C CYS A 728 24.316 5.703 5.883 1.00 32.12 C ATOM 224 O CYS A 728 24.334 5.323 7.058 1.00 29.85 O ATOM 225 CB CYS A 728 22.204 6.944 5.121 1.00 33.34 C ATOM 226 SG CYS A 728 21.194 8.510 5.215 1.00 33.90 S ATOM 0 H CYS A 728 24.151 7.562 3.631 1.00 34.27 H new ATOM 0 HA CYS A 728 23.750 7.646 6.280 1.00 31.74 H new ATOM 0 HB2 CYS A 728 22.147 6.599 4.216 1.00 33.34 H new ATOM 0 HB3 CYS A 728 21.797 6.284 5.703 1.00 33.34 H new ATOM 227 N HIS A 729 24.810 4.972 4.879 1.00 26.85 N ATOM 228 CA HIS A 729 25.557 3.770 5.111 1.00 29.30 C ATOM 229 C HIS A 729 26.869 4.113 5.814 1.00 26.38 C ATOM 230 O HIS A 729 27.437 5.186 5.638 1.00 26.81 O ATOM 231 CB HIS A 729 25.814 2.982 3.805 1.00 26.17 C ATOM 232 CG HIS A 729 26.188 1.575 4.047 1.00 25.39 C ATOM 233 ND1 HIS A 729 27.498 1.184 4.251 1.00 28.07 N ATOM 234 CD2 HIS A 729 25.433 0.471 4.210 1.00 26.83 C ATOM 235 CE1 HIS A 729 27.531 -0.119 4.465 1.00 25.22 C ATOM 236 NE2 HIS A 729 26.293 -0.564 4.454 1.00 28.79 N ATOM 0 H HIS A 729 24.713 5.173 4.048 1.00 26.85 H new ATOM 0 HA HIS A 729 25.029 3.191 5.683 1.00 29.30 H new ATOM 0 HB2 HIS A 729 25.016 3.010 3.254 1.00 26.17 H new ATOM 0 HB3 HIS A 729 26.521 3.418 3.303 1.00 26.17 H new ATOM 0 HD1 HIS A 729 28.182 1.705 4.240 1.00 28.07 H new ATOM 0 HD2 HIS A 729 24.505 0.422 4.165 1.00 26.83 H new ATOM 0 HE1 HIS A 729 28.295 -0.632 4.600 1.00 25.22 H new ATOM 237 N ILE A 730 27.281 3.223 6.714 1.00 26.05 N ATOM 238 CA ILE A 730 28.569 3.369 7.382 1.00 27.27 C ATOM 239 C ILE A 730 29.306 2.017 7.243 1.00 30.54 C ATOM 240 O ILE A 730 28.739 0.960 7.631 1.00 30.51 O ATOM 241 CB ILE A 730 28.420 3.664 8.877 1.00 27.57 C ATOM 242 CG1 ILE A 730 27.555 4.910 9.106 1.00 27.59 C ATOM 243 CG2 ILE A 730 29.779 3.920 9.489 1.00 28.29 C ATOM 244 CD1 ILE A 730 27.242 5.183 10.595 1.00 27.65 C ATOM 0 H ILE A 730 26.830 2.530 6.951 1.00 26.05 H new ATOM 0 HA ILE A 730 29.046 4.110 6.976 1.00 27.27 H new ATOM 0 HB ILE A 730 27.998 2.894 9.289 1.00 27.57 H new ATOM 0 HG12 ILE A 730 28.008 5.682 8.732 1.00 27.59 H new ATOM 0 HG13 ILE A 730 26.721 4.809 8.622 1.00 27.59 H new ATOM 0 HG21 ILE A 730 29.678 4.106 10.436 1.00 28.29 H new ATOM 0 HG22 ILE A 730 30.340 3.137 9.372 1.00 28.29 H new ATOM 0 HG23 ILE A 730 30.192 4.681 9.053 1.00 28.29 H new ATOM 0 HD11 ILE A 730 26.695 5.980 10.670 1.00 27.65 H new ATOM 0 HD12 ILE A 730 26.764 4.427 10.969 1.00 27.65 H new ATOM 0 HD13 ILE A 730 28.071 5.314 11.081 1.00 27.65 H new ATOM 245 N PRO A 731 30.503 2.025 6.687 1.00 30.60 N ATOM 246 CA PRO A 731 31.162 3.175 6.018 1.00 32.10 C ATOM 247 C PRO A 731 30.378 3.695 4.822 1.00 29.66 C ATOM 248 O PRO A 731 29.428 3.017 4.396 1.00 29.23 O ATOM 249 CB PRO A 731 32.450 2.555 5.487 1.00 35.92 C ATOM 250 CG PRO A 731 32.659 1.317 6.294 1.00 36.06 C ATOM 251 CD PRO A 731 31.291 0.787 6.554 1.00 40.28 C ATOM 0 HA PRO A 731 31.264 3.923 6.627 1.00 32.10 H new ATOM 0 HB2 PRO A 731 32.374 2.348 4.542 1.00 35.92 H new ATOM 0 HB3 PRO A 731 33.197 3.166 5.584 1.00 35.92 H new ATOM 0 HG2 PRO A 731 33.200 0.671 5.812 1.00 36.06 H new ATOM 0 HG3 PRO A 731 33.123 1.513 7.123 1.00 36.06 H new ATOM 0 HD2 PRO A 731 30.973 0.231 5.826 1.00 40.28 H new ATOM 0 HD3 PRO A 731 31.258 0.247 7.359 1.00 40.28 H new ATOM 252 N SER A 732 30.706 4.890 4.306 1.00 33.69 N ATOM 253 CA SER A 732 30.018 5.390 3.043 1.00 42.79 C ATOM 254 C SER A 732 30.045 4.377 1.889 1.00 43.01 C ATOM 255 O SER A 732 30.976 3.546 1.816 1.00 45.39 O ATOM 256 CB SER A 732 30.653 6.645 2.533 1.00 45.47 C ATOM 257 OG SER A 732 30.429 7.659 3.467 1.00 52.03 O ATOM 0 H SER A 732 31.294 5.423 4.637 1.00 33.69 H new ATOM 0 HA SER A 732 29.099 5.543 3.313 1.00 42.79 H new ATOM 0 HB2 SER A 732 31.605 6.512 2.400 1.00 45.47 H new ATOM 0 HB3 SER A 732 30.277 6.889 1.673 1.00 45.47 H new ATOM 0 HG SER A 732 30.006 8.287 3.103 1.00 52.03 H new ATOM 258 N VAL A 733 29.029 4.389 1.029 1.00 47.09 N ATOM 259 CA VAL A 733 28.877 3.279 0.082 1.00 46.59 C ATOM 260 C VAL A 733 30.054 3.291 -0.863 1.00 53.13 C ATOM 261 O VAL A 733 30.478 4.339 -1.300 1.00 48.63 O ATOM 262 CB VAL A 733 27.571 3.259 -0.678 1.00 46.61 C ATOM 263 CG1 VAL A 733 27.545 2.112 -1.710 1.00 42.24 C ATOM 264 CG2 VAL A 733 26.395 3.068 0.280 1.00 45.95 C ATOM 0 H VAL A 733 28.433 5.007 0.975 1.00 47.09 H new ATOM 0 HA VAL A 733 28.856 2.463 0.607 1.00 46.59 H new ATOM 0 HB VAL A 733 27.493 4.110 -1.137 1.00 46.61 H new ATOM 0 HG11 VAL A 733 26.698 2.121 -2.183 1.00 42.24 H new ATOM 0 HG12 VAL A 733 28.270 2.230 -2.343 1.00 42.24 H new ATOM 0 HG13 VAL A 733 27.650 1.263 -1.253 1.00 42.24 H new ATOM 0 HG21 VAL A 733 25.566 3.058 -0.223 1.00 45.95 H new ATOM 0 HG22 VAL A 733 26.496 2.227 0.753 1.00 45.95 H new ATOM 0 HG23 VAL A 733 26.376 3.798 0.919 1.00 45.95 H new ATOM 265 N GLU A 734 30.614 2.106 -1.102 1.00 66.18 N ATOM 266 CA GLU A 734 31.912 1.963 -1.781 1.00 77.11 C ATOM 267 C GLU A 734 31.743 2.223 -3.301 1.00 76.77 C ATOM 268 O GLU A 734 30.708 1.858 -3.876 1.00 64.05 O ATOM 269 CB GLU A 734 32.521 0.584 -1.447 1.00 79.51 C ATOM 270 CG GLU A 734 32.910 0.394 0.044 1.00 81.74 C ATOM 271 CD GLU A 734 31.749 0.195 1.054 1.00 86.73 C ATOM 272 OE1 GLU A 734 30.761 -0.497 0.766 1.00 86.64 O ATOM 273 OE2 GLU A 734 31.810 0.716 2.186 1.00 91.73 O ATOM 0 H GLU A 734 30.254 1.358 -0.876 1.00 66.18 H new ATOM 0 HA GLU A 734 32.543 2.627 -1.462 1.00 77.11 H new ATOM 0 HB2 GLU A 734 31.885 -0.106 -1.694 1.00 79.51 H new ATOM 0 HB3 GLU A 734 33.310 0.451 -1.995 1.00 79.51 H new ATOM 0 HG2 GLU A 734 33.499 -0.374 0.107 1.00 81.74 H new ATOM 0 HG3 GLU A 734 33.423 1.169 0.323 1.00 81.74 H new ATOM 274 N ALA A 735 32.725 2.905 -3.910 1.00 91.21 N ATOM 275 CA ALA A 735 32.640 3.405 -5.312 1.00 99.83 C ATOM 276 C ALA A 735 32.301 2.310 -6.330 1.00114.64 C ATOM 277 O ALA A 735 31.338 2.428 -7.109 1.00114.15 O ATOM 278 CB ALA A 735 33.936 4.101 -5.729 1.00 93.93 C ATOM 0 H ALA A 735 33.469 3.096 -3.524 1.00 91.21 H new ATOM 0 HA ALA A 735 31.908 4.042 -5.316 1.00 99.83 H new ATOM 0 HB1 ALA A 735 33.855 4.416 -6.643 1.00 93.93 H new ATOM 0 HB2 ALA A 735 34.103 4.854 -5.141 1.00 93.93 H new ATOM 0 HB3 ALA A 735 34.674 3.475 -5.668 1.00 93.93 H new ATOM 279 N ASN A 736 33.090 1.241 -6.315 1.00115.18 N ATOM 280 CA ASN A 736 32.844 0.116 -7.196 1.00118.40 C ATOM 281 C ASN A 736 32.285 -1.075 -6.372 1.00117.07 C ATOM 282 O ASN A 736 31.330 -0.864 -5.618 1.00117.97 O ATOM 283 CB ASN A 736 34.099 -0.148 -8.042 1.00121.72 C ATOM 284 CG ASN A 736 33.756 -0.680 -9.416 1.00115.22 C ATOM 285 OD1 ASN A 736 33.231 -1.784 -9.536 1.00132.58 O ATOM 286 ND2 ASN A 736 34.007 0.118 -10.454 1.00 98.00 N ATOM 0 H ASN A 736 33.773 1.151 -5.800 1.00115.18 H new ATOM 0 HA ASN A 736 32.149 0.297 -7.848 1.00118.40 H new ATOM 0 HB2 ASN A 736 34.606 0.674 -8.132 1.00121.72 H new ATOM 0 HB3 ASN A 736 34.669 -0.784 -7.583 1.00121.72 H new ATOM 0 HD21 ASN A 736 33.800 -0.134 -11.250 1.00 98.00 H new ATOM 0 HD22 ASN A 736 34.376 0.884 -10.328 1.00 98.00 H new ATOM 287 N LYS A 737 32.839 -2.288 -6.506 1.00118.94 N ATOM 288 CA LYS A 737 32.365 -3.487 -5.788 1.00119.55 C ATOM 289 C LYS A 737 31.000 -3.962 -6.323 1.00115.54 C ATOM 290 O LYS A 737 29.952 -3.466 -5.915 1.00115.78 O ATOM 291 CB LYS A 737 32.336 -3.275 -4.254 1.00110.00 C ATOM 0 H LYS A 737 33.509 -2.441 -7.023 1.00118.94 H new ATOM 0 HA LYS A 737 33.007 -4.193 -5.961 1.00119.55 H new ATOM 292 N ASN A 738 31.034 -4.894 -7.273 1.00102.56 N ATOM 293 CA ASN A 738 29.835 -5.612 -7.725 1.00 92.97 C ATOM 294 C ASN A 738 30.139 -7.095 -7.547 1.00 86.03 C ATOM 295 O ASN A 738 31.168 -7.525 -8.021 1.00 94.62 O ATOM 296 CB ASN A 738 29.540 -5.321 -9.196 1.00 97.88 C ATOM 297 CG ASN A 738 29.706 -3.843 -9.558 1.00 99.07 C ATOM 298 OD1 ASN A 738 30.696 -3.195 -9.197 1.00 89.66 O ATOM 299 ND2 ASN A 738 28.741 -3.311 -10.294 1.00102.64 N ATOM 0 H ASN A 738 31.755 -5.131 -7.677 1.00102.56 H new ATOM 0 HA ASN A 738 29.057 -5.334 -7.216 1.00 92.97 H new ATOM 0 HB2 ASN A 738 30.132 -5.853 -9.751 1.00 97.88 H new ATOM 0 HB3 ASN A 738 28.633 -5.599 -9.400 1.00 97.88 H new ATOM 0 HD21 ASN A 738 28.790 -2.488 -10.537 1.00102.64 H new ATOM 0 HD22 ASN A 738 28.066 -3.789 -10.528 1.00102.64 H new ATOM 300 N PRO A 739 29.346 -7.872 -6.812 1.00 79.30 N ATOM 301 CA PRO A 739 28.285 -7.370 -5.962 1.00 80.97 C ATOM 302 C PRO A 739 28.782 -6.539 -4.756 1.00 71.72 C ATOM 303 O PRO A 739 29.963 -6.557 -4.372 1.00 69.32 O ATOM 304 CB PRO A 739 27.577 -8.655 -5.488 1.00 82.00 C ATOM 305 CG PRO A 739 28.632 -9.702 -5.519 1.00 79.80 C ATOM 306 CD PRO A 739 29.528 -9.334 -6.668 1.00 78.15 C ATOM 0 HA PRO A 739 27.713 -6.752 -6.444 1.00 80.97 H new ATOM 0 HB2 PRO A 739 27.213 -8.548 -4.595 1.00 82.00 H new ATOM 0 HB3 PRO A 739 26.836 -8.884 -6.071 1.00 82.00 H new ATOM 0 HG2 PRO A 739 29.126 -9.725 -4.684 1.00 79.80 H new ATOM 0 HG3 PRO A 739 28.246 -10.583 -5.645 1.00 79.80 H new ATOM 0 HD2 PRO A 739 30.453 -9.560 -6.483 1.00 78.15 H new ATOM 0 HD3 PRO A 739 29.277 -9.804 -7.478 1.00 78.15 H new ATOM 307 N TRP A 740 27.846 -5.803 -4.185 1.00 64.85 N ATOM 308 CA TRP A 740 28.051 -5.082 -2.929 1.00 56.35 C ATOM 309 C TRP A 740 27.163 -5.679 -1.848 1.00 52.93 C ATOM 310 O TRP A 740 25.987 -6.003 -2.075 1.00 49.82 O ATOM 311 CB TRP A 740 27.711 -3.634 -3.144 1.00 59.58 C ATOM 312 CG TRP A 740 27.870 -2.810 -1.931 1.00 60.57 C ATOM 313 CD1 TRP A 740 29.034 -2.445 -1.337 1.00 53.66 C ATOM 314 CD2 TRP A 740 26.815 -2.211 -1.183 1.00 49.12 C ATOM 315 NE1 TRP A 740 28.771 -1.649 -0.254 1.00 55.16 N ATOM 316 CE2 TRP A 740 27.415 -1.490 -0.131 1.00 50.41 C ATOM 317 CE3 TRP A 740 25.423 -2.207 -1.312 1.00 49.58 C ATOM 318 CZ2 TRP A 740 26.677 -0.785 0.811 1.00 47.63 C ATOM 319 CZ3 TRP A 740 24.668 -1.492 -0.381 1.00 50.44 C ATOM 320 CH2 TRP A 740 25.308 -0.783 0.673 1.00 48.85 C ATOM 0 H TRP A 740 27.059 -5.703 -4.517 1.00 64.85 H new ATOM 0 HA TRP A 740 28.976 -5.158 -2.646 1.00 56.35 H new ATOM 0 HB2 TRP A 740 28.276 -3.277 -3.846 1.00 59.58 H new ATOM 0 HB3 TRP A 740 26.795 -3.566 -3.455 1.00 59.58 H new ATOM 0 HD1 TRP A 740 29.882 -2.697 -1.622 1.00 53.66 H new ATOM 0 HE1 TRP A 740 29.362 -1.304 0.266 1.00 55.16 H new ATOM 0 HE3 TRP A 740 25.009 -2.671 -2.003 1.00 49.58 H new ATOM 0 HZ2 TRP A 740 27.092 -0.331 1.509 1.00 47.63 H new ATOM 0 HZ3 TRP A 740 23.741 -1.479 -0.450 1.00 50.44 H new ATOM 0 HH2 TRP A 740 24.790 -0.308 1.282 1.00 48.85 H new ATOM 321 N SER A 741 27.749 -5.895 -0.684 1.00 50.12 N ATOM 322 CA SER A 741 27.015 -6.332 0.471 1.00 44.24 C ATOM 323 C SER A 741 27.097 -5.169 1.517 1.00 39.92 C ATOM 324 O SER A 741 28.152 -4.601 1.811 1.00 34.53 O ATOM 325 CB SER A 741 27.595 -7.636 1.026 1.00 50.82 C ATOM 326 OG SER A 741 27.109 -8.779 0.333 1.00 53.48 O ATOM 0 H SER A 741 28.591 -5.790 -0.547 1.00 50.12 H new ATOM 0 HA SER A 741 26.090 -6.524 0.249 1.00 44.24 H new ATOM 0 HB2 SER A 741 28.563 -7.610 0.964 1.00 50.82 H new ATOM 0 HB3 SER A 741 27.373 -7.712 1.967 1.00 50.82 H new ATOM 0 HG SER A 741 26.287 -8.867 0.479 1.00 53.48 H new ATOM 327 N CYS A 742 25.945 -4.856 2.049 1.00 36.54 N ATOM 328 CA CYS A 742 25.783 -3.890 3.121 1.00 41.54 C ATOM 329 C CYS A 742 26.250 -4.442 4.470 1.00 35.21 C ATOM 330 O CYS A 742 26.410 -5.654 4.684 1.00 31.51 O ATOM 331 CB CYS A 742 24.266 -3.480 3.209 1.00 34.01 C ATOM 332 SG CYS A 742 23.162 -4.510 4.149 1.00 36.69 S ATOM 0 H CYS A 742 25.203 -5.208 1.793 1.00 36.54 H new ATOM 0 HA CYS A 742 26.335 -3.118 2.920 1.00 41.54 H new ATOM 0 HB2 CYS A 742 24.223 -2.585 3.581 1.00 34.01 H new ATOM 0 HB3 CYS A 742 23.922 -3.427 2.304 1.00 34.01 H new ATOM 333 N ILE A 743 26.335 -3.516 5.419 1.00 35.09 N ATOM 334 CA ILE A 743 26.844 -3.763 6.767 1.00 30.13 C ATOM 335 C ILE A 743 25.995 -4.745 7.543 1.00 30.87 C ATOM 336 O ILE A 743 26.534 -5.548 8.317 1.00 31.81 O ATOM 337 CB ILE A 743 27.031 -2.472 7.540 1.00 31.28 C ATOM 338 CG1 ILE A 743 27.849 -2.782 8.830 1.00 30.79 C ATOM 339 CG2 ILE A 743 25.687 -1.761 7.732 1.00 27.49 C ATOM 340 CD1 ILE A 743 28.465 -1.568 9.449 1.00 33.54 C ATOM 0 H ILE A 743 26.091 -2.701 5.294 1.00 35.09 H new ATOM 0 HA ILE A 743 27.715 -4.174 6.655 1.00 30.13 H new ATOM 0 HB ILE A 743 27.558 -1.822 7.049 1.00 31.28 H new ATOM 0 HG12 ILE A 743 27.267 -3.208 9.479 1.00 30.79 H new ATOM 0 HG13 ILE A 743 28.549 -3.418 8.616 1.00 30.79 H new ATOM 0 HG21 ILE A 743 25.824 -0.938 8.227 1.00 27.49 H new ATOM 0 HG22 ILE A 743 25.302 -1.556 6.865 1.00 27.49 H new ATOM 0 HG23 ILE A 743 25.083 -2.338 8.225 1.00 27.49 H new ATOM 0 HD11 ILE A 743 28.958 -1.825 10.244 1.00 33.54 H new ATOM 0 HD12 ILE A 743 29.069 -1.152 8.814 1.00 33.54 H new ATOM 0 HD13 ILE A 743 27.768 -0.939 9.691 1.00 33.54 H new ATOM 341 N PHE A 744 24.682 -4.767 7.298 1.00 33.00 N ATOM 342 CA PHE A 744 23.847 -5.793 7.904 1.00 34.23 C ATOM 343 C PHE A 744 24.309 -7.188 7.428 1.00 35.38 C ATOM 344 O PHE A 744 24.401 -8.136 8.230 1.00 33.43 O ATOM 345 CB PHE A 744 22.333 -5.614 7.581 1.00 34.58 C ATOM 346 CG PHE A 744 21.684 -4.418 8.244 1.00 30.82 C ATOM 347 CD1 PHE A 744 21.793 -3.172 7.697 1.00 33.49 C ATOM 348 CD2 PHE A 744 20.920 -4.579 9.392 1.00 31.26 C ATOM 349 CE1 PHE A 744 21.177 -2.072 8.309 1.00 33.19 C ATOM 350 CE2 PHE A 744 20.280 -3.504 9.995 1.00 33.12 C ATOM 351 CZ PHE A 744 20.426 -2.239 9.448 1.00 31.23 C ATOM 0 H PHE A 744 24.267 -4.207 6.794 1.00 33.00 H new ATOM 0 HA PHE A 744 23.949 -5.707 8.865 1.00 34.23 H new ATOM 0 HB2 PHE A 744 22.227 -5.533 6.620 1.00 34.58 H new ATOM 0 HB3 PHE A 744 21.859 -6.416 7.853 1.00 34.58 H new ATOM 0 HD1 PHE A 744 22.279 -3.052 6.913 1.00 33.49 H new ATOM 0 HD2 PHE A 744 20.835 -5.426 9.766 1.00 31.26 H new ATOM 0 HE1 PHE A 744 21.277 -1.223 7.942 1.00 33.19 H new ATOM 0 HE2 PHE A 744 19.760 -3.631 10.756 1.00 33.12 H new ATOM 0 HZ PHE A 744 20.018 -1.506 9.850 1.00 31.23 H new ATOM 352 N CYS A 745 24.553 -7.306 6.121 1.00 39.89 N ATOM 353 CA CYS A 745 25.017 -8.587 5.543 1.00 42.75 C ATOM 354 C CYS A 745 26.405 -8.954 6.064 1.00 38.95 C ATOM 355 O CYS A 745 26.641 -10.108 6.374 1.00 38.27 O ATOM 356 CB CYS A 745 24.976 -8.567 3.991 1.00 39.13 C ATOM 357 SG CYS A 745 23.233 -8.552 3.418 1.00 45.15 S ATOM 0 H CYS A 745 24.460 -6.668 5.552 1.00 39.89 H new ATOM 0 HA CYS A 745 24.401 -9.278 5.833 1.00 42.75 H new ATOM 0 HB2 CYS A 745 25.442 -7.785 3.657 1.00 39.13 H new ATOM 0 HB3 CYS A 745 25.435 -9.344 3.637 1.00 39.13 H new ATOM 358 N ARG A 746 27.302 -7.978 6.148 1.00 34.50 N ATOM 359 CA ARG A 746 28.665 -8.249 6.632 1.00 33.89 C ATOM 360 C ARG A 746 28.696 -8.671 8.079 1.00 36.35 C ATOM 361 O ARG A 746 29.477 -9.562 8.436 1.00 36.74 O ATOM 362 CB ARG A 746 29.597 -7.093 6.401 1.00 33.90 C ATOM 363 CG ARG A 746 29.646 -6.799 4.937 1.00 36.29 C ATOM 364 CD ARG A 746 30.293 -5.499 4.641 1.00 40.88 C ATOM 365 NE ARG A 746 31.682 -5.589 5.038 1.00 50.62 N ATOM 366 CZ ARG A 746 32.505 -4.552 5.147 1.00 61.67 C ATOM 367 NH1 ARG A 746 32.076 -3.307 4.862 1.00 70.09 N ATOM 368 NH2 ARG A 746 33.763 -4.763 5.544 1.00 58.78 N ATOM 0 H ARG A 746 27.151 -7.159 5.934 1.00 34.50 H new ATOM 0 HA ARG A 746 28.982 -8.997 6.102 1.00 33.89 H new ATOM 0 HB2 ARG A 746 29.292 -6.313 6.890 1.00 33.90 H new ATOM 0 HB3 ARG A 746 30.484 -7.306 6.731 1.00 33.90 H new ATOM 0 HG2 ARG A 746 30.129 -7.508 4.484 1.00 36.29 H new ATOM 0 HG3 ARG A 746 28.744 -6.797 4.580 1.00 36.29 H new ATOM 0 HD2 ARG A 746 30.223 -5.293 3.696 1.00 40.88 H new ATOM 0 HD3 ARG A 746 29.849 -4.782 5.121 1.00 40.88 H new ATOM 0 HE ARG A 746 31.997 -6.369 5.216 1.00 50.62 H new ATOM 0 HH11 ARG A 746 31.264 -3.180 4.608 1.00 70.09 H new ATOM 0 HH12 ARG A 746 32.614 -2.640 4.935 1.00 70.09 H new ATOM 0 HH21 ARG A 746 34.029 -5.561 5.724 1.00 58.78 H new ATOM 0 HH22 ARG A 746 34.307 -4.101 5.619 1.00 58.78 H new ATOM 369 N ILE A 747 27.800 -8.126 8.904 1.00 34.47 N ATOM 370 CA ILE A 747 27.679 -8.552 10.276 1.00 34.33 C ATOM 371 C ILE A 747 27.109 -9.965 10.383 1.00 34.93 C ATOM 372 O ILE A 747 27.622 -10.815 11.125 1.00 35.03 O ATOM 373 CB ILE A 747 26.859 -7.551 11.098 1.00 32.91 C ATOM 374 CG1 ILE A 747 27.632 -6.241 11.239 1.00 33.57 C ATOM 375 CG2 ILE A 747 26.498 -8.148 12.432 1.00 38.28 C ATOM 376 CD1 ILE A 747 28.768 -6.247 12.237 1.00 36.48 C ATOM 0 H ILE A 747 27.253 -7.503 8.675 1.00 34.47 H new ATOM 0 HA ILE A 747 28.573 -8.577 10.651 1.00 34.33 H new ATOM 0 HB ILE A 747 26.028 -7.352 10.639 1.00 32.91 H new ATOM 0 HG12 ILE A 747 27.990 -6.002 10.370 1.00 33.57 H new ATOM 0 HG13 ILE A 747 27.007 -5.543 11.491 1.00 33.57 H new ATOM 0 HG21 ILE A 747 25.980 -7.507 12.944 1.00 38.28 H new ATOM 0 HG22 ILE A 747 25.973 -8.952 12.295 1.00 38.28 H new ATOM 0 HG23 ILE A 747 27.308 -8.370 12.917 1.00 38.28 H new ATOM 0 HD11 ILE A 747 29.191 -5.374 12.251 1.00 36.48 H new ATOM 0 HD12 ILE A 747 28.422 -6.452 13.120 1.00 36.48 H new ATOM 0 HD13 ILE A 747 29.420 -6.918 11.981 1.00 36.48 H new ATOM 377 N LYS A 748 26.093 -10.249 9.603 1.00 41.14 N ATOM 378 CA LYS A 748 25.541 -11.601 9.587 1.00 46.79 C ATOM 379 C LYS A 748 26.608 -12.635 9.199 1.00 39.81 C ATOM 380 O LYS A 748 26.707 -13.651 9.826 1.00 40.37 O ATOM 381 CB LYS A 748 24.338 -11.685 8.651 1.00 50.95 C ATOM 382 CG LYS A 748 23.608 -13.029 8.697 1.00 61.77 C ATOM 383 CD LYS A 748 22.803 -13.302 7.427 1.00 71.59 C ATOM 384 CE LYS A 748 21.803 -12.195 7.122 1.00 80.91 C ATOM 385 NZ LYS A 748 20.837 -11.938 8.226 1.00 92.98 N ATOM 0 H LYS A 748 25.705 -9.689 9.078 1.00 41.14 H new ATOM 0 HA LYS A 748 25.242 -11.809 10.486 1.00 46.79 H new ATOM 0 HB2 LYS A 748 23.713 -10.979 8.879 1.00 50.95 H new ATOM 0 HB3 LYS A 748 24.634 -11.519 7.742 1.00 50.95 H new ATOM 0 HG2 LYS A 748 24.255 -13.741 8.826 1.00 61.77 H new ATOM 0 HG3 LYS A 748 23.013 -13.044 9.463 1.00 61.77 H new ATOM 0 HD2 LYS A 748 23.411 -13.401 6.677 1.00 71.59 H new ATOM 0 HD3 LYS A 748 22.330 -14.144 7.522 1.00 71.59 H new ATOM 0 HE2 LYS A 748 22.287 -11.377 6.930 1.00 80.91 H new ATOM 0 HE3 LYS A 748 21.310 -12.428 6.320 1.00 80.91 H new ATOM 0 HZ1 LYS A 748 20.246 -11.325 7.967 1.00 92.98 H new ATOM 0 HZ2 LYS A 748 20.411 -12.693 8.430 1.00 92.98 H new ATOM 0 HZ3 LYS A 748 21.276 -11.643 8.942 1.00 92.98 H new ATOM 386 N THR A 749 27.447 -12.342 8.219 1.00 38.23 N ATOM 387 CA THR A 749 28.487 -13.283 7.849 1.00 38.90 C ATOM 388 C THR A 749 29.439 -13.646 8.974 1.00 49.93 C ATOM 389 O THR A 749 29.853 -14.814 9.039 1.00 46.11 O ATOM 390 CB THR A 749 29.270 -12.748 6.656 1.00 41.08 C ATOM 391 OG1 THR A 749 28.351 -12.665 5.596 1.00 45.51 O ATOM 392 CG2 THR A 749 30.435 -13.696 6.226 1.00 41.06 C ATOM 0 H THR A 749 27.432 -11.614 7.761 1.00 38.23 H new ATOM 0 HA THR A 749 28.028 -14.106 7.618 1.00 38.90 H new ATOM 0 HB THR A 749 29.670 -11.896 6.890 1.00 41.08 H new ATOM 0 HG1 THR A 749 27.871 -11.983 5.694 1.00 45.51 H new ATOM 0 HG21 THR A 749 30.901 -13.313 5.466 1.00 41.06 H new ATOM 0 HG22 THR A 749 31.055 -13.803 6.964 1.00 41.06 H new ATOM 0 HG23 THR A 749 30.074 -14.562 5.980 1.00 41.06 H new ATOM 393 N ILE A 750 29.794 -12.668 9.834 1.00 54.66 N ATOM 394 CA ILE A 750 30.721 -12.882 10.959 1.00 53.81 C ATOM 395 C ILE A 750 30.134 -13.915 11.893 1.00 58.94 C ATOM 396 O ILE A 750 30.869 -14.791 12.335 1.00 62.11 O ATOM 397 CB ILE A 750 31.010 -11.635 11.845 1.00 58.74 C ATOM 398 CG1 ILE A 750 31.554 -10.443 11.063 1.00 60.37 C ATOM 399 CG2 ILE A 750 31.996 -11.952 12.974 1.00 59.16 C ATOM 400 CD1 ILE A 750 32.632 -10.802 10.084 1.00 60.87 C ATOM 0 H ILE A 750 29.500 -11.862 9.777 1.00 54.66 H new ATOM 0 HA ILE A 750 31.553 -13.145 10.535 1.00 53.81 H new ATOM 0 HB ILE A 750 30.145 -11.394 12.211 1.00 58.74 H new ATOM 0 HG12 ILE A 750 30.823 -10.019 10.586 1.00 60.37 H new ATOM 0 HG13 ILE A 750 31.902 -9.788 11.688 1.00 60.37 H new ATOM 0 HG21 ILE A 750 32.151 -11.153 13.503 1.00 59.16 H new ATOM 0 HG22 ILE A 750 31.627 -12.648 13.540 1.00 59.16 H new ATOM 0 HG23 ILE A 750 32.836 -12.256 12.595 1.00 59.16 H new ATOM 0 HD11 ILE A 750 32.931 -10.002 9.624 1.00 60.87 H new ATOM 0 HD12 ILE A 750 33.379 -11.201 10.557 1.00 60.87 H new ATOM 0 HD13 ILE A 750 32.284 -11.436 9.437 1.00 60.87 H new ATOM 401 N GLN A 751 28.845 -13.795 12.222 1.00 60.05 N ATOM 402 CA GLN A 751 28.189 -14.737 13.145 1.00 61.63 C ATOM 403 C GLN A 751 28.059 -16.155 12.573 1.00 59.39 C ATOM 404 O GLN A 751 28.091 -17.140 13.318 1.00 61.55 O ATOM 405 CB GLN A 751 26.784 -14.288 13.480 1.00 63.76 C ATOM 406 CG GLN A 751 26.680 -12.989 14.239 1.00 74.51 C ATOM 407 CD GLN A 751 25.268 -12.459 14.190 1.00 77.88 C ATOM 408 OE1 GLN A 751 24.361 -13.125 13.676 1.00 76.69 O ATOM 409 NE2 GLN A 751 25.070 -11.263 14.709 1.00 79.85 N ATOM 0 H GLN A 751 28.330 -13.175 11.923 1.00 60.05 H new ATOM 0 HA GLN A 751 28.761 -14.749 13.928 1.00 61.63 H new ATOM 0 HB2 GLN A 751 26.283 -14.203 12.654 1.00 63.76 H new ATOM 0 HB3 GLN A 751 26.355 -14.984 14.001 1.00 63.76 H new ATOM 0 HG2 GLN A 751 26.948 -13.125 15.161 1.00 74.51 H new ATOM 0 HG3 GLN A 751 27.289 -12.337 13.859 1.00 74.51 H new ATOM 0 HE21 GLN A 751 25.727 -10.831 15.057 1.00 79.85 H new ATOM 0 HE22 GLN A 751 24.284 -10.915 14.699 1.00 79.85 H new ATOM 410 N GLU A 752 27.856 -16.218 11.261 1.00 56.44 N ATOM 411 CA GLU A 752 27.791 -17.460 10.505 1.00 57.58 C ATOM 412 C GLU A 752 29.147 -18.167 10.417 1.00 56.59 C ATOM 413 O GLU A 752 29.228 -19.372 10.598 1.00 65.18 O ATOM 414 CB GLU A 752 27.184 -17.208 9.120 1.00 55.98 C ATOM 415 CG GLU A 752 25.670 -17.015 9.201 1.00 60.00 C ATOM 416 CD GLU A 752 25.051 -16.502 7.915 1.00 68.49 C ATOM 417 OE1 GLU A 752 25.770 -16.333 6.884 1.00 62.91 O ATOM 418 OE2 GLU A 752 23.819 -16.263 7.954 1.00 80.29 O ATOM 0 H GLU A 752 27.749 -15.518 10.773 1.00 56.44 H new ATOM 0 HA GLU A 752 27.208 -18.067 10.987 1.00 57.58 H new ATOM 0 HB2 GLU A 752 27.591 -16.421 8.725 1.00 55.98 H new ATOM 0 HB3 GLU A 752 27.386 -17.956 8.536 1.00 55.98 H new ATOM 0 HG2 GLU A 752 25.256 -17.861 9.435 1.00 60.00 H new ATOM 0 HG3 GLU A 752 25.469 -16.393 9.918 1.00 60.00 H new ATOM 419 N ARG A 753 30.212 -17.421 10.171 1.00 58.01 N ATOM 420 CA ARG A 753 31.568 -17.993 10.206 1.00 57.89 C ATOM 421 C ARG A 753 32.057 -18.410 11.596 1.00 60.70 C ATOM 422 O ARG A 753 33.005 -19.173 11.665 1.00 76.53 O ATOM 423 CB ARG A 753 32.603 -17.048 9.591 1.00 57.41 C ATOM 424 CG ARG A 753 32.380 -16.863 8.091 1.00 71.30 C ATOM 425 CD ARG A 753 33.356 -15.905 7.395 1.00 70.18 C ATOM 426 NE ARG A 753 33.471 -16.270 5.980 1.00 68.41 N ATOM 427 CZ ARG A 753 33.881 -15.467 5.009 1.00 74.67 C ATOM 428 NH1 ARG A 753 34.261 -14.217 5.259 1.00 72.13 N ATOM 429 NH2 ARG A 753 33.921 -15.934 3.764 1.00 81.95 N ATOM 0 H ARG A 753 30.181 -16.583 9.981 1.00 58.01 H new ATOM 0 HA ARG A 753 31.486 -18.801 9.675 1.00 57.89 H new ATOM 0 HB2 ARG A 753 32.558 -16.186 10.034 1.00 57.41 H new ATOM 0 HB3 ARG A 753 33.494 -17.399 9.745 1.00 57.41 H new ATOM 0 HG2 ARG A 753 32.440 -17.730 7.661 1.00 71.30 H new ATOM 0 HG3 ARG A 753 31.477 -16.539 7.951 1.00 71.30 H new ATOM 0 HD2 ARG A 753 33.043 -14.991 7.479 1.00 70.18 H new ATOM 0 HD3 ARG A 753 34.226 -15.947 7.822 1.00 70.18 H new ATOM 0 HE ARG A 753 33.254 -17.073 5.762 1.00 68.41 H new ATOM 0 HH11 ARG A 753 34.244 -13.915 6.064 1.00 72.13 H new ATOM 0 HH12 ARG A 753 34.524 -13.711 4.616 1.00 72.13 H new ATOM 0 HH21 ARG A 753 33.683 -16.744 3.601 1.00 81.95 H new ATOM 0 HH22 ARG A 753 34.185 -15.426 3.122 1.00 81.95 H new ATOM 430 N CYS A 754 31.456 -17.899 12.674 1.00 49.88 N ATOM 431 CA ACYS A 754 31.874 -18.219 14.040 0.55 52.31 C ATOM 432 CA BCYS A 754 31.901 -18.194 14.042 0.45 48.85 C ATOM 433 C CYS A 754 30.658 -18.137 14.948 1.00 50.43 C ATOM 434 O CYS A 754 30.485 -17.168 15.673 1.00 51.81 O ATOM 435 CB ACYS A 754 32.961 -17.260 14.511 0.55 56.48 C ATOM 436 CB BCYS A 754 32.992 -17.172 14.453 0.45 48.74 C ATOM 437 SG ACYS A 754 34.589 -17.706 13.907 0.55 68.79 S ATOM 438 SG BCYS A 754 33.804 -17.319 16.083 0.45 48.14 S ATOM 0 H ACYS A 754 30.792 -17.355 12.632 0.55 49.88 H new ATOM 0 H BCYS A 754 30.778 -17.371 12.633 0.45 49.88 H new ATOM 0 HA ACYS A 754 32.244 -19.115 14.066 0.55 48.85 H new ATOM 0 HA BCYS A 754 32.300 -19.075 14.118 0.45 48.85 H new ATOM 0 HB2ACYS A 754 32.745 -16.362 14.214 0.55 48.74 H new ATOM 0 HB2BCYS A 754 33.688 -17.205 13.779 0.45 48.74 H new ATOM 0 HB3ACYS A 754 32.974 -17.243 15.481 0.55 48.74 H new ATOM 0 HB3BCYS A 754 32.594 -16.289 14.407 0.45 48.74 H new ATOM 0 HG ACYS A 754 34.480 -18.372 12.915 0.55 48.14 H new ATOM 0 HG BCYS A 754 34.613 -16.441 16.208 0.45 48.14 H new ATOM 439 N PRO A 755 29.771 -19.173 14.885 1.00 50.75 N ATOM 440 CA PRO A 755 28.535 -19.196 15.697 1.00 50.58 C ATOM 441 C PRO A 755 28.757 -18.942 17.189 1.00 49.75 C ATOM 442 O PRO A 755 27.885 -18.329 17.834 1.00 48.62 O ATOM 443 CB PRO A 755 27.989 -20.618 15.488 1.00 53.75 C ATOM 444 CG PRO A 755 28.600 -21.085 14.210 1.00 54.69 C ATOM 445 CD PRO A 755 29.936 -20.423 14.104 1.00 49.70 C ATOM 0 HA PRO A 755 27.936 -18.485 15.419 1.00 50.58 H new ATOM 0 HB2 PRO A 755 28.232 -21.199 16.226 1.00 53.75 H new ATOM 0 HB3 PRO A 755 27.020 -20.618 15.434 1.00 53.75 H new ATOM 0 HG2 PRO A 755 28.693 -22.051 14.206 1.00 54.69 H new ATOM 0 HG3 PRO A 755 28.039 -20.851 13.454 1.00 54.69 H new ATOM 0 HD2 PRO A 755 30.640 -20.981 14.469 1.00 49.70 H new ATOM 0 HD3 PRO A 755 30.170 -20.238 13.181 1.00 49.70 H new ATOM 446 N GLU A 756 29.908 -19.406 17.707 1.00 44.44 N ATOM 447 CA GLU A 756 30.298 -19.222 19.112 1.00 48.51 C ATOM 448 C GLU A 756 30.541 -17.774 19.538 1.00 45.05 C ATOM 449 O GLU A 756 30.565 -17.487 20.755 1.00 37.32 O ATOM 450 CB GLU A 756 31.522 -20.088 19.476 1.00 48.22 C ATOM 451 CG GLU A 756 32.865 -19.654 18.914 1.00 61.23 C ATOM 452 CD GLU A 756 33.217 -20.199 17.504 1.00 72.62 C ATOM 453 OE1 GLU A 756 32.333 -20.369 16.620 1.00 73.84 O ATOM 454 OE2 GLU A 756 34.420 -20.438 17.247 1.00 84.17 O ATOM 0 H GLU A 756 30.488 -19.841 17.244 1.00 44.44 H new ATOM 0 HA GLU A 756 29.521 -19.517 19.612 1.00 48.51 H new ATOM 0 HB2 GLU A 756 31.595 -20.116 20.443 1.00 48.22 H new ATOM 0 HB3 GLU A 756 31.349 -20.995 19.178 1.00 48.22 H new ATOM 0 HG2 GLU A 756 32.885 -18.685 18.881 1.00 61.23 H new ATOM 0 HG3 GLU A 756 33.560 -19.931 19.532 1.00 61.23 H new ATOM 455 N SER A 757 30.776 -16.882 18.551 1.00 42.34 N ATOM 456 CA SER A 757 30.880 -15.411 18.795 1.00 43.48 C ATOM 457 C SER A 757 29.587 -14.832 19.422 1.00 40.29 C ATOM 458 O SER A 757 29.590 -13.747 19.984 1.00 44.40 O ATOM 459 CB SER A 757 31.169 -14.685 17.453 1.00 43.57 C ATOM 460 OG SER A 757 30.023 -14.767 16.567 1.00 49.47 O ATOM 0 H SER A 757 30.879 -17.106 17.727 1.00 42.34 H new ATOM 0 HA SER A 757 31.605 -15.267 19.423 1.00 43.48 H new ATOM 0 HB2 SER A 757 31.386 -13.755 17.623 1.00 43.57 H new ATOM 0 HB3 SER A 757 31.943 -15.083 17.025 1.00 43.57 H new ATOM 0 HG SER A 757 29.942 -15.554 16.286 1.00 49.47 H new ATOM 461 N GLN A 758 28.471 -15.536 19.282 1.00 37.78 N ATOM 462 CA GLN A 758 27.217 -15.156 19.950 1.00 46.16 C ATOM 463 C GLN A 758 27.040 -15.684 21.395 1.00 41.06 C ATOM 464 O GLN A 758 26.048 -15.338 22.031 1.00 38.11 O ATOM 465 CB GLN A 758 26.005 -15.586 19.113 1.00 48.19 C ATOM 466 CG GLN A 758 25.951 -15.026 17.692 1.00 54.66 C ATOM 467 CD GLN A 758 25.053 -15.925 16.865 1.00 70.73 C ATOM 468 OE1 GLN A 758 25.537 -16.836 16.153 1.00 79.72 O ATOM 469 NE2 GLN A 758 23.734 -15.770 17.050 1.00 71.55 N ATOM 0 H GLN A 758 28.412 -16.246 18.800 1.00 37.78 H new ATOM 0 HA GLN A 758 27.274 -14.190 20.023 1.00 46.16 H new ATOM 0 HB2 GLN A 758 25.995 -16.555 19.062 1.00 48.19 H new ATOM 0 HB3 GLN A 758 25.198 -15.318 19.580 1.00 48.19 H new ATOM 0 HG2 GLN A 758 25.608 -14.119 17.698 1.00 54.66 H new ATOM 0 HG3 GLN A 758 26.841 -14.991 17.308 1.00 54.66 H new ATOM 0 HE21 GLN A 758 23.442 -15.132 17.547 1.00 71.55 H new ATOM 0 HE22 GLN A 758 23.181 -16.309 16.672 1.00 71.55 H new ATOM 470 N SER A 759 27.976 -16.489 21.915 1.00 37.81 N ATOM 471 CA SER A 759 27.946 -16.825 23.364 1.00 38.77 C ATOM 472 C SER A 759 28.234 -15.551 24.181 1.00 39.07 C ATOM 473 O SER A 759 28.941 -14.627 23.699 1.00 38.61 O ATOM 474 CB SER A 759 28.939 -17.946 23.731 1.00 36.09 C ATOM 475 OG SER A 759 28.650 -19.126 23.019 1.00 36.88 O ATOM 0 H SER A 759 28.620 -16.845 21.470 1.00 37.81 H new ATOM 0 HA SER A 759 27.062 -17.163 23.577 1.00 38.77 H new ATOM 0 HB2 SER A 759 29.844 -17.659 23.534 1.00 36.09 H new ATOM 0 HB3 SER A 759 28.898 -18.121 24.684 1.00 36.09 H new ATOM 0 HG SER A 759 29.228 -19.709 23.196 1.00 36.88 H new ATOM 476 N GLY A 760 27.687 -15.504 25.397 1.00 34.65 N ATOM 477 CA GLY A 760 27.741 -14.302 26.227 1.00 37.26 C ATOM 478 C GLY A 760 29.159 -13.847 26.545 1.00 39.64 C ATOM 479 O GLY A 760 30.065 -14.698 26.754 1.00 37.29 O ATOM 0 H GLY A 760 27.276 -16.166 25.761 1.00 34.65 H new ATOM 0 HA2 GLY A 760 27.272 -13.584 25.774 1.00 37.26 H new ATOM 0 HA3 GLY A 760 27.269 -14.470 27.058 1.00 37.26 H new ATOM 480 N HIS A 761 29.363 -12.513 26.585 1.00 35.85 N ATOM 481 CA HIS A 761 30.642 -11.913 26.958 1.00 32.22 C ATOM 482 C HIS A 761 30.471 -10.946 28.091 1.00 32.57 C ATOM 483 O HIS A 761 29.367 -10.476 28.385 1.00 31.64 O ATOM 484 CB HIS A 761 31.307 -11.148 25.789 1.00 34.95 C ATOM 485 CG HIS A 761 31.570 -11.978 24.592 1.00 36.50 C ATOM 486 ND1 HIS A 761 30.584 -12.321 23.696 1.00 39.57 N ATOM 487 CD2 HIS A 761 32.720 -12.498 24.107 1.00 40.87 C ATOM 488 CE1 HIS A 761 31.108 -13.046 22.726 1.00 45.01 C ATOM 489 NE2 HIS A 761 32.406 -13.158 22.944 1.00 47.78 N ATOM 0 H HIS A 761 28.753 -11.937 26.394 1.00 35.85 H new ATOM 0 HA HIS A 761 31.211 -12.654 27.218 1.00 32.22 H new ATOM 0 HB2 HIS A 761 30.737 -10.405 25.536 1.00 34.95 H new ATOM 0 HB3 HIS A 761 32.145 -10.770 26.098 1.00 34.95 H new ATOM 0 HD1 HIS A 761 29.756 -12.098 23.758 1.00 39.57 H new ATOM 0 HD2 HIS A 761 33.565 -12.423 24.489 1.00 40.87 H new ATOM 0 HE1 HIS A 761 30.643 -13.415 22.011 1.00 45.01 H new ATOM 490 N GLN A 762 31.593 -10.628 28.732 1.00 33.00 N ATOM 491 CA GLN A 762 31.623 -9.578 29.778 1.00 35.41 C ATOM 492 C GLN A 762 31.953 -8.243 29.082 1.00 30.01 C ATOM 493 O GLN A 762 32.848 -8.214 28.221 1.00 27.44 O ATOM 494 CB GLN A 762 32.680 -9.867 30.848 1.00 36.27 C ATOM 495 CG GLN A 762 32.430 -11.117 31.733 1.00 42.53 C ATOM 496 CD GLN A 762 31.117 -11.043 32.454 1.00 48.35 C ATOM 497 OE1 GLN A 762 30.154 -11.748 32.115 1.00 55.26 O ATOM 498 NE2 GLN A 762 31.034 -10.143 33.423 1.00 58.49 N ATOM 0 H GLN A 762 32.353 -11.002 28.583 1.00 33.00 H new ATOM 0 HA GLN A 762 30.762 -9.548 30.224 1.00 35.41 H new ATOM 0 HB2 GLN A 762 33.539 -9.970 30.409 1.00 36.27 H new ATOM 0 HB3 GLN A 762 32.749 -9.092 31.427 1.00 36.27 H new ATOM 0 HG2 GLN A 762 32.449 -11.913 31.179 1.00 42.53 H new ATOM 0 HG3 GLN A 762 33.148 -11.203 32.379 1.00 42.53 H new ATOM 0 HE21 GLN A 762 31.722 -9.671 33.632 1.00 58.49 H new ATOM 0 HE22 GLN A 762 30.292 -10.031 33.843 1.00 58.49 H new ATOM 499 N GLU A 763 31.223 -7.192 29.450 1.00 30.80 N ATOM 500 CA GLU A 763 31.431 -5.868 28.856 1.00 31.62 C ATOM 501 C GLU A 763 32.891 -5.467 29.002 1.00 31.11 C ATOM 502 O GLU A 763 33.492 -5.001 28.027 1.00 28.50 O ATOM 503 CB GLU A 763 30.519 -4.799 29.492 1.00 33.45 C ATOM 504 CG GLU A 763 30.734 -3.395 28.862 1.00 31.76 C ATOM 505 CD GLU A 763 29.840 -2.335 29.421 1.00 34.39 C ATOM 506 OE1 GLU A 763 28.641 -2.538 29.485 1.00 37.01 O ATOM 507 OE2 GLU A 763 30.313 -1.263 29.783 1.00 39.24 O ATOM 0 H GLU A 763 30.601 -7.223 30.043 1.00 30.80 H new ATOM 0 HA GLU A 763 31.198 -5.923 27.916 1.00 31.62 H new ATOM 0 HB2 GLU A 763 29.591 -5.062 29.384 1.00 33.45 H new ATOM 0 HB3 GLU A 763 30.692 -4.754 30.445 1.00 33.45 H new ATOM 0 HG2 GLU A 763 31.657 -3.129 28.994 1.00 31.76 H new ATOM 0 HG3 GLU A 763 30.590 -3.455 27.905 1.00 31.76 H new ATOM 508 N SER A 764 33.493 -5.736 30.184 1.00 31.22 N ATOM 509 CA SER A 764 34.886 -5.311 30.469 1.00 31.96 C ATOM 510 C SER A 764 35.879 -5.916 29.484 1.00 30.78 C ATOM 511 O SER A 764 36.802 -5.228 28.998 1.00 32.41 O ATOM 512 CB SER A 764 35.242 -5.628 31.950 1.00 38.35 C ATOM 513 OG SER A 764 34.961 -7.006 32.242 1.00 37.88 O ATOM 0 H SER A 764 33.114 -6.160 30.829 1.00 31.22 H new ATOM 0 HA SER A 764 34.949 -4.351 30.346 1.00 31.96 H new ATOM 0 HB2 SER A 764 36.180 -5.441 32.112 1.00 38.35 H new ATOM 0 HB3 SER A 764 34.732 -5.054 32.543 1.00 38.35 H new ATOM 0 HG SER A 764 35.157 -7.169 33.042 1.00 37.88 H new ATOM 514 N GLU A 765 35.663 -7.177 29.105 1.00 30.90 N ATOM 515 CA GLU A 765 36.485 -7.802 28.110 1.00 34.49 C ATOM 516 C GLU A 765 36.245 -7.162 26.711 1.00 29.71 C ATOM 517 O GLU A 765 37.179 -6.928 25.984 1.00 30.62 O ATOM 518 CB GLU A 765 36.177 -9.332 28.045 1.00 38.07 C ATOM 519 CG GLU A 765 36.948 -10.032 26.921 1.00 40.37 C ATOM 520 CD GLU A 765 36.221 -10.199 25.564 1.00 46.30 C ATOM 521 OE1 GLU A 765 34.984 -10.420 25.531 1.00 45.64 O ATOM 522 OE2 GLU A 765 36.923 -10.166 24.504 1.00 38.28 O ATOM 0 H GLU A 765 35.039 -7.677 29.422 1.00 30.90 H new ATOM 0 HA GLU A 765 37.413 -7.669 28.357 1.00 34.49 H new ATOM 0 HB2 GLU A 765 36.404 -9.742 28.894 1.00 38.07 H new ATOM 0 HB3 GLU A 765 35.225 -9.463 27.912 1.00 38.07 H new ATOM 0 HG2 GLU A 765 37.767 -9.537 26.765 1.00 40.37 H new ATOM 0 HG3 GLU A 765 37.205 -10.913 27.235 1.00 40.37 H new ATOM 523 N VAL A 766 34.980 -6.941 26.351 1.00 29.51 N ATOM 524 CA VAL A 766 34.621 -6.317 25.046 1.00 27.54 C ATOM 525 C VAL A 766 35.296 -5.004 24.870 1.00 25.03 C ATOM 526 O VAL A 766 35.864 -4.727 23.793 1.00 25.79 O ATOM 527 CB VAL A 766 33.092 -6.170 24.894 1.00 30.74 C ATOM 528 CG1 VAL A 766 32.716 -5.351 23.633 1.00 29.98 C ATOM 529 CG2 VAL A 766 32.509 -7.568 24.754 1.00 32.79 C ATOM 0 H VAL A 766 34.303 -7.142 26.842 1.00 29.51 H new ATOM 0 HA VAL A 766 34.935 -6.911 24.347 1.00 27.54 H new ATOM 0 HB VAL A 766 32.742 -5.703 25.669 1.00 30.74 H new ATOM 0 HG11 VAL A 766 31.751 -5.279 23.570 1.00 29.98 H new ATOM 0 HG12 VAL A 766 33.103 -4.464 23.696 1.00 29.98 H new ATOM 0 HG13 VAL A 766 33.059 -5.797 22.843 1.00 29.98 H new ATOM 0 HG21 VAL A 766 31.546 -7.509 24.656 1.00 32.79 H new ATOM 0 HG22 VAL A 766 32.887 -8.000 23.972 1.00 32.79 H new ATOM 0 HG23 VAL A 766 32.722 -8.088 25.544 1.00 32.79 H new ATOM 530 N LEU A 767 35.239 -4.163 25.911 1.00 24.75 N ATOM 531 CA LEU A 767 35.818 -2.843 25.825 1.00 28.61 C ATOM 532 C LEU A 767 37.306 -2.820 25.576 1.00 31.38 C ATOM 533 O LEU A 767 37.808 -1.901 24.878 1.00 28.25 O ATOM 534 CB LEU A 767 35.512 -1.981 27.068 1.00 26.81 C ATOM 535 CG LEU A 767 34.007 -1.708 27.263 1.00 30.72 C ATOM 536 CD1 LEU A 767 33.738 -0.811 28.469 1.00 33.44 C ATOM 537 CD2 LEU A 767 33.318 -1.178 26.026 1.00 28.39 C ATOM 0 H LEU A 767 34.870 -4.347 26.665 1.00 24.75 H new ATOM 0 HA LEU A 767 35.386 -2.463 25.044 1.00 28.61 H new ATOM 0 HB2 LEU A 767 35.859 -2.427 27.857 1.00 26.81 H new ATOM 0 HB3 LEU A 767 35.981 -1.135 26.991 1.00 26.81 H new ATOM 0 HG LEU A 767 33.614 -2.577 27.440 1.00 30.72 H new ATOM 0 HD11 LEU A 767 32.783 -0.664 28.557 1.00 33.44 H new ATOM 0 HD12 LEU A 767 34.074 -1.239 29.272 1.00 33.44 H new ATOM 0 HD13 LEU A 767 34.186 0.041 28.345 1.00 33.44 H new ATOM 0 HD21 LEU A 767 32.379 -1.029 26.217 1.00 28.39 H new ATOM 0 HD22 LEU A 767 33.730 -0.341 25.759 1.00 28.39 H new ATOM 0 HD23 LEU A 767 33.403 -1.823 25.307 1.00 28.39 H new ATOM 538 N MET A 768 38.037 -3.788 26.157 1.00 32.55 N ATOM 539 CA MET A 768 39.496 -3.823 25.980 1.00 31.70 C ATOM 540 C MET A 768 39.925 -4.357 24.643 1.00 32.53 C ATOM 541 O MET A 768 41.096 -4.203 24.282 1.00 32.45 O ATOM 542 CB MET A 768 40.173 -4.632 27.075 1.00 37.09 C ATOM 543 CG MET A 768 40.146 -3.909 28.379 1.00 45.37 C ATOM 544 SD MET A 768 40.709 -2.190 28.313 1.00 63.20 S ATOM 545 CE MET A 768 42.405 -2.238 27.718 1.00 55.34 C ATOM 0 H MET A 768 37.714 -4.418 26.645 1.00 32.55 H new ATOM 0 HA MET A 768 39.777 -2.896 26.033 1.00 31.70 H new ATOM 0 HB2 MET A 768 39.728 -5.489 27.169 1.00 37.09 H new ATOM 0 HB3 MET A 768 41.092 -4.815 26.823 1.00 37.09 H new ATOM 0 HG2 MET A 768 39.239 -3.925 28.724 1.00 45.37 H new ATOM 0 HG3 MET A 768 40.699 -4.392 29.013 1.00 45.37 H new ATOM 0 HE1 MET A 768 42.692 -1.341 27.484 1.00 55.34 H new ATOM 0 HE2 MET A 768 42.982 -2.591 28.413 1.00 55.34 H new ATOM 0 HE3 MET A 768 42.457 -2.808 26.935 1.00 55.34 H new ATOM 546 N ARG A 769 39.001 -4.874 23.828 1.00 26.94 N ATOM 547 CA ARG A 769 39.450 -5.359 22.523 1.00 26.99 C ATOM 548 C ARG A 769 40.017 -4.289 21.630 1.00 31.46 C ATOM 549 O ARG A 769 39.483 -3.209 21.548 1.00 29.10 O ATOM 550 CB ARG A 769 38.335 -6.036 21.784 1.00 27.67 C ATOM 551 CG ARG A 769 37.797 -7.225 22.544 1.00 30.33 C ATOM 552 CD ARG A 769 36.736 -7.805 21.701 1.00 31.50 C ATOM 553 NE ARG A 769 35.962 -8.771 22.418 1.00 37.87 N ATOM 554 CZ ARG A 769 34.808 -9.250 21.986 1.00 34.92 C ATOM 555 NH1 ARG A 769 34.245 -8.784 20.879 1.00 40.30 N ATOM 556 NH2 ARG A 769 34.195 -10.160 22.694 1.00 38.12 N ATOM 0 H ARG A 769 38.161 -4.950 23.997 1.00 26.94 H new ATOM 0 HA ARG A 769 40.163 -5.984 22.729 1.00 26.99 H new ATOM 0 HB2 ARG A 769 37.618 -5.401 21.628 1.00 27.67 H new ATOM 0 HB3 ARG A 769 38.652 -6.325 20.914 1.00 27.67 H new ATOM 0 HG2 ARG A 769 38.498 -7.874 22.714 1.00 30.33 H new ATOM 0 HG3 ARG A 769 37.445 -6.955 23.407 1.00 30.33 H new ATOM 0 HD2 ARG A 769 36.155 -7.098 21.379 1.00 31.50 H new ATOM 0 HD3 ARG A 769 37.134 -8.222 20.921 1.00 31.50 H new ATOM 0 HE ARG A 769 36.264 -9.056 23.171 1.00 37.87 H new ATOM 0 HH11 ARG A 769 34.631 -8.160 20.430 1.00 40.30 H new ATOM 0 HH12 ARG A 769 33.494 -9.106 20.610 1.00 40.30 H new ATOM 0 HH21 ARG A 769 34.543 -10.439 23.429 1.00 38.12 H new ATOM 0 HH22 ARG A 769 33.444 -10.480 22.425 1.00 38.12 H new ATOM 557 N GLN A 770 41.087 -4.646 20.930 1.00 29.68 N ATOM 558 CA GLN A 770 41.659 -3.841 19.912 1.00 32.36 C ATOM 559 C GLN A 770 40.723 -3.693 18.712 1.00 28.30 C ATOM 560 O GLN A 770 40.003 -4.618 18.309 1.00 26.42 O ATOM 561 CB GLN A 770 43.013 -4.427 19.472 1.00 33.67 C ATOM 562 CG GLN A 770 44.039 -4.235 20.581 1.00 38.61 C ATOM 563 CD GLN A 770 45.392 -4.865 20.277 1.00 45.66 C ATOM 564 OE1 GLN A 770 45.667 -5.353 19.172 1.00 54.10 O ATOM 565 NE2 GLN A 770 46.247 -4.863 21.278 1.00 50.33 N ATOM 0 H GLN A 770 41.500 -5.390 21.052 1.00 29.68 H new ATOM 0 HA GLN A 770 41.801 -2.954 20.279 1.00 32.36 H new ATOM 0 HB2 GLN A 770 42.916 -5.370 19.268 1.00 33.67 H new ATOM 0 HB3 GLN A 770 43.316 -3.991 18.660 1.00 33.67 H new ATOM 0 HG2 GLN A 770 44.161 -3.285 20.738 1.00 38.61 H new ATOM 0 HG3 GLN A 770 43.691 -4.616 21.403 1.00 38.61 H new ATOM 0 HE21 GLN A 770 46.025 -4.516 22.033 1.00 50.33 H new ATOM 0 HE22 GLN A 770 47.028 -5.209 21.177 1.00 50.33 H new ATOM 566 N MET A 771 40.795 -2.532 18.123 1.00 24.62 N ATOM 567 CA MET A 771 39.965 -2.248 16.956 1.00 30.65 C ATOM 568 C MET A 771 40.528 -2.921 15.696 1.00 32.15 C ATOM 569 O MET A 771 40.913 -2.258 14.737 1.00 29.64 O ATOM 570 CB MET A 771 39.753 -0.750 16.781 1.00 27.83 C ATOM 571 CG MET A 771 38.821 -0.203 17.816 1.00 35.29 C ATOM 572 SD MET A 771 37.055 -0.582 17.439 1.00 33.09 S ATOM 573 CE MET A 771 36.653 1.085 16.972 1.00 36.64 C ATOM 0 H MET A 771 41.310 -1.889 18.370 1.00 24.62 H new ATOM 0 HA MET A 771 39.088 -2.634 17.106 1.00 30.65 H new ATOM 0 HB2 MET A 771 40.606 -0.292 16.838 1.00 27.83 H new ATOM 0 HB3 MET A 771 39.396 -0.574 15.897 1.00 27.83 H new ATOM 0 HG2 MET A 771 39.051 -0.573 18.683 1.00 35.29 H new ATOM 0 HG3 MET A 771 38.937 0.758 17.877 1.00 35.29 H new ATOM 0 HE1 MET A 771 35.726 1.127 16.688 1.00 36.64 H new ATOM 0 HE2 MET A 771 36.785 1.675 17.731 1.00 36.64 H new ATOM 0 HE3 MET A 771 37.227 1.364 16.242 1.00 36.64 H new ATOM 574 N LEU A 772 40.531 -4.256 15.687 1.00 31.01 N ATOM 575 CA LEU A 772 40.886 -4.992 14.463 1.00 32.52 C ATOM 576 C LEU A 772 39.655 -4.927 13.503 1.00 34.66 C ATOM 577 O LEU A 772 38.604 -4.469 13.913 1.00 32.23 O ATOM 578 CB LEU A 772 41.167 -6.428 14.832 1.00 36.66 C ATOM 579 CG LEU A 772 42.382 -6.755 15.708 1.00 41.03 C ATOM 580 CD1 LEU A 772 42.417 -8.265 15.954 1.00 41.31 C ATOM 581 CD2 LEU A 772 43.648 -6.318 15.025 1.00 39.87 C ATOM 0 H LEU A 772 40.335 -4.749 16.364 1.00 31.01 H new ATOM 0 HA LEU A 772 41.669 -4.611 14.034 1.00 32.52 H new ATOM 0 HB2 LEU A 772 40.381 -6.772 15.284 1.00 36.66 H new ATOM 0 HB3 LEU A 772 41.260 -6.928 14.006 1.00 36.66 H new ATOM 0 HG LEU A 772 42.311 -6.284 16.553 1.00 41.03 H new ATOM 0 HD11 LEU A 772 43.182 -8.485 16.508 1.00 41.31 H new ATOM 0 HD12 LEU A 772 41.603 -8.539 16.405 1.00 41.31 H new ATOM 0 HD13 LEU A 772 42.488 -8.730 15.106 1.00 41.31 H new ATOM 0 HD21 LEU A 772 44.409 -6.530 15.588 1.00 39.87 H new ATOM 0 HD22 LEU A 772 43.735 -6.781 14.177 1.00 39.87 H new ATOM 0 HD23 LEU A 772 43.618 -5.361 14.869 1.00 39.87 H new ATOM 582 N PRO A 773 39.762 -5.383 12.255 1.00 35.95 N ATOM 583 CA PRO A 773 38.653 -5.199 11.288 1.00 34.90 C ATOM 584 C PRO A 773 37.246 -5.583 11.695 1.00 32.44 C ATOM 585 O PRO A 773 36.267 -4.879 11.387 1.00 31.79 O ATOM 586 CB PRO A 773 39.126 -6.023 10.077 1.00 32.95 C ATOM 587 CG PRO A 773 40.574 -5.778 10.081 1.00 34.35 C ATOM 588 CD PRO A 773 40.974 -5.823 11.543 1.00 37.73 C ATOM 0 HA PRO A 773 38.522 -4.248 11.148 1.00 34.90 H new ATOM 0 HB2 PRO A 773 38.918 -6.965 10.176 1.00 32.95 H new ATOM 0 HB3 PRO A 773 38.711 -5.726 9.252 1.00 32.95 H new ATOM 0 HG2 PRO A 773 41.046 -6.452 9.567 1.00 34.35 H new ATOM 0 HG3 PRO A 773 40.786 -4.918 9.685 1.00 34.35 H new ATOM 0 HD2 PRO A 773 41.240 -6.716 11.812 1.00 37.73 H new ATOM 0 HD3 PRO A 773 41.725 -5.237 11.724 1.00 37.73 H new ATOM 589 N GLU A 774 37.129 -6.680 12.398 1.00 33.70 N ATOM 590 CA AGLU A 774 35.849 -7.174 12.836 0.49 35.64 C ATOM 591 CA BGLU A 774 35.813 -7.123 12.764 0.51 35.98 C ATOM 592 C GLU A 774 35.226 -6.245 13.898 1.00 33.73 C ATOM 593 O GLU A 774 34.042 -5.994 13.859 1.00 29.88 O ATOM 594 CB AGLU A 774 36.011 -8.600 13.391 0.49 34.93 C ATOM 595 CB BGLU A 774 35.789 -8.640 13.051 0.51 35.79 C ATOM 596 CG AGLU A 774 34.774 -9.192 14.014 0.49 34.18 C ATOM 597 CG BGLU A 774 36.108 -9.440 11.788 0.51 37.24 C ATOM 598 CD AGLU A 774 34.896 -10.691 14.229 0.49 37.90 C ATOM 599 CD BGLU A 774 35.819 -10.927 11.897 0.51 40.17 C ATOM 600 OE1AGLU A 774 35.553 -11.393 13.431 0.49 38.80 O ATOM 601 OE1BGLU A 774 35.782 -11.476 13.024 0.51 40.20 O ATOM 602 OE2AGLU A 774 34.305 -11.162 15.206 0.49 41.29 O ATOM 603 OE2BGLU A 774 35.610 -11.542 10.822 0.51 43.10 O ATOM 0 H AGLU A 774 37.796 -7.167 12.639 0.49 33.70 H new ATOM 0 H BGLU A 774 37.780 -7.173 12.668 0.51 33.70 H new ATOM 0 HA AGLU A 774 35.247 -7.193 12.076 0.49 35.98 H new ATOM 0 HA BGLU A 774 35.218 -7.001 12.008 0.51 35.98 H new ATOM 0 HB2AGLU A 774 36.302 -9.181 12.671 0.49 35.79 H new ATOM 0 HB2BGLU A 774 36.434 -8.852 13.744 0.51 35.79 H new ATOM 0 HB3AGLU A 774 36.719 -8.595 14.054 0.49 35.79 H new ATOM 0 HB3BGLU A 774 34.916 -8.895 13.388 0.51 35.79 H new ATOM 0 HG2AGLU A 774 34.604 -8.758 14.865 0.49 37.24 H new ATOM 0 HG2BGLU A 774 35.596 -9.075 11.049 0.51 37.24 H new ATOM 0 HG3AGLU A 774 34.010 -9.010 13.445 0.49 37.24 H new ATOM 0 HG3BGLU A 774 37.045 -9.319 11.570 0.51 37.24 H new ATOM 604 N GLU A 775 36.046 -5.759 14.849 1.00 30.79 N ATOM 605 CA AGLU A 775 35.555 -4.855 15.891 0.55 30.72 C ATOM 606 CA BGLU A 775 35.572 -4.854 15.900 0.45 28.61 C ATOM 607 C GLU A 775 35.230 -3.483 15.298 1.00 26.93 C ATOM 608 O GLU A 775 34.269 -2.853 15.672 1.00 27.51 O ATOM 609 CB AGLU A 775 36.567 -4.683 17.009 0.55 32.96 C ATOM 610 CB BGLU A 775 36.608 -4.681 17.005 0.45 28.11 C ATOM 611 CG AGLU A 775 36.995 -5.975 17.681 0.55 38.11 C ATOM 612 CG BGLU A 775 36.525 -5.732 18.101 0.45 28.64 C ATOM 613 CD AGLU A 775 35.835 -6.856 18.099 0.55 39.11 C ATOM 614 CD BGLU A 775 37.039 -7.112 17.659 0.45 29.55 C ATOM 615 OE1AGLU A 775 35.093 -6.420 18.983 0.55 39.92 O ATOM 616 OE1BGLU A 775 37.769 -7.217 16.646 0.45 26.87 O ATOM 617 OE2AGLU A 775 35.666 -7.979 17.566 0.55 41.88 O ATOM 618 OE2BGLU A 775 36.710 -8.098 18.346 0.45 29.83 O ATOM 0 H AGLU A 775 36.884 -5.943 14.903 0.55 30.79 H new ATOM 0 H BGLU A 775 36.884 -5.946 14.897 0.45 30.79 H new ATOM 0 HA AGLU A 775 34.752 -5.255 16.260 0.55 28.61 H new ATOM 0 HA BGLU A 775 34.777 -5.250 16.291 0.45 28.61 H new ATOM 0 HB2AGLU A 775 37.354 -4.242 16.652 0.55 28.11 H new ATOM 0 HB2BGLU A 775 37.494 -4.707 16.612 0.45 28.11 H new ATOM 0 HB3AGLU A 775 36.192 -4.092 17.681 0.55 28.11 H new ATOM 0 HB3BGLU A 775 36.500 -3.803 17.403 0.45 28.11 H new ATOM 0 HG2AGLU A 775 37.566 -6.472 17.075 0.55 28.64 H new ATOM 0 HG2BGLU A 775 37.039 -5.433 18.867 0.45 28.64 H new ATOM 0 HG3AGLU A 775 37.528 -5.763 18.463 0.55 28.64 H new ATOM 0 HG3BGLU A 775 35.603 -5.815 18.392 0.45 28.64 H new ATOM 619 N GLN A 776 36.053 -3.043 14.392 1.00 25.56 N ATOM 620 CA GLN A 776 35.839 -1.804 13.682 1.00 27.14 C ATOM 621 C GLN A 776 34.451 -1.848 13.023 1.00 29.65 C ATOM 622 O GLN A 776 33.702 -0.877 13.127 1.00 27.81 O ATOM 623 CB GLN A 776 36.949 -1.573 12.657 1.00 26.83 C ATOM 624 CG GLN A 776 36.789 -0.406 11.650 1.00 27.75 C ATOM 625 CD GLN A 776 37.130 0.961 12.211 1.00 28.63 C ATOM 626 OE1 GLN A 776 37.940 1.089 13.146 1.00 30.46 O ATOM 627 NE2 GLN A 776 36.506 2.024 11.649 1.00 29.88 N ATOM 0 H GLN A 776 36.770 -3.458 14.161 1.00 25.56 H new ATOM 0 HA GLN A 776 35.868 -1.057 14.300 1.00 27.14 H new ATOM 0 HB2 GLN A 776 37.776 -1.432 13.144 1.00 26.83 H new ATOM 0 HB3 GLN A 776 37.055 -2.391 12.147 1.00 26.83 H new ATOM 0 HG2 GLN A 776 37.355 -0.578 10.881 1.00 27.75 H new ATOM 0 HG3 GLN A 776 35.873 -0.393 11.331 1.00 27.75 H new ATOM 0 HE21 GLN A 776 35.950 1.905 11.003 1.00 29.88 H new ATOM 0 HE22 GLN A 776 36.665 2.818 11.938 1.00 29.88 H new ATOM 628 N LEU A 777 34.138 -2.964 12.348 1.00 28.85 N ATOM 629 CA LEU A 777 32.884 -3.123 11.670 1.00 29.84 C ATOM 630 C LEU A 777 31.692 -3.126 12.594 1.00 27.84 C ATOM 631 O LEU A 777 30.643 -2.577 12.263 1.00 25.30 O ATOM 632 CB LEU A 777 32.881 -4.418 10.911 1.00 31.83 C ATOM 633 CG LEU A 777 31.650 -4.621 10.009 1.00 36.20 C ATOM 634 CD1 LEU A 777 31.799 -3.823 8.701 1.00 36.19 C ATOM 635 CD2 LEU A 777 31.478 -6.110 9.795 1.00 36.72 C ATOM 0 H LEU A 777 34.662 -3.643 12.281 1.00 28.85 H new ATOM 0 HA LEU A 777 32.801 -2.357 11.081 1.00 29.84 H new ATOM 0 HB2 LEU A 777 33.681 -4.462 10.364 1.00 31.83 H new ATOM 0 HB3 LEU A 777 32.930 -5.152 11.544 1.00 31.83 H new ATOM 0 HG LEU A 777 30.844 -4.278 10.426 1.00 36.20 H new ATOM 0 HD11 LEU A 777 31.016 -3.962 8.146 1.00 36.19 H new ATOM 0 HD12 LEU A 777 31.886 -2.879 8.906 1.00 36.19 H new ATOM 0 HD13 LEU A 777 32.589 -4.124 8.226 1.00 36.19 H new ATOM 0 HD21 LEU A 777 30.707 -6.269 9.228 1.00 36.72 H new ATOM 0 HD22 LEU A 777 32.272 -6.470 9.369 1.00 36.72 H new ATOM 0 HD23 LEU A 777 31.345 -6.547 10.651 1.00 36.72 H new ATOM 636 N LYS A 778 31.844 -3.827 13.721 1.00 26.81 N ATOM 637 CA ALYS A 778 30.806 -3.865 14.750 0.17 25.71 C ATOM 638 CA BLYS A 778 30.814 -3.868 14.730 0.83 27.09 C ATOM 639 C LYS A 778 30.511 -2.471 15.327 1.00 24.41 C ATOM 640 O LYS A 778 29.348 -2.138 15.604 1.00 22.59 O ATOM 641 CB ALYS A 778 31.182 -4.847 15.869 0.17 26.54 C ATOM 642 CB BLYS A 778 31.199 -4.878 15.812 0.83 31.64 C ATOM 643 CG ALYS A 778 31.045 -6.319 15.470 0.17 27.51 C ATOM 644 CG BLYS A 778 31.085 -6.362 15.350 0.83 37.43 C ATOM 645 CD ALYS A 778 31.348 -7.250 16.643 0.17 27.37 C ATOM 646 CD BLYS A 778 31.344 -7.320 16.539 0.83 40.03 C ATOM 647 CE ALYS A 778 31.114 -8.705 16.273 0.17 28.63 C ATOM 648 CE BLYS A 778 31.369 -8.787 16.127 0.83 50.81 C ATOM 649 NZ ALYS A 778 32.100 -9.226 15.286 0.17 28.48 N ATOM 650 NZ BLYS A 778 31.025 -9.657 17.295 0.83 56.01 N ATOM 0 H ALYS A 778 32.545 -4.289 13.907 0.17 26.81 H new ATOM 0 H BLYS A 778 32.546 -4.286 13.911 0.83 26.81 H new ATOM 0 HA ALYS A 778 29.993 -4.178 14.323 0.17 27.09 H new ATOM 0 HA BLYS A 778 29.989 -4.157 14.309 0.83 27.09 H new ATOM 0 HB2ALYS A 778 32.097 -4.678 16.142 0.17 31.64 H new ATOM 0 HB2BLYS A 778 32.110 -4.705 16.096 0.83 31.64 H new ATOM 0 HB3ALYS A 778 30.620 -4.676 16.641 0.17 31.64 H new ATOM 0 HB3BLYS A 778 30.630 -4.744 16.586 0.83 31.64 H new ATOM 0 HG2ALYS A 778 30.145 -6.485 15.148 0.17 37.43 H new ATOM 0 HG2BLYS A 778 30.202 -6.525 14.982 0.83 37.43 H new ATOM 0 HG3ALYS A 778 31.649 -6.514 14.737 0.17 37.43 H new ATOM 0 HG3BLYS A 778 31.724 -6.536 14.642 0.83 37.43 H new ATOM 0 HD2ALYS A 778 32.269 -7.130 16.923 0.17 40.03 H new ATOM 0 HD2BLYS A 778 32.191 -7.091 16.954 0.83 40.03 H new ATOM 0 HD3ALYS A 778 30.788 -7.013 17.399 0.17 40.03 H new ATOM 0 HD3BLYS A 778 30.655 -7.189 17.209 0.83 40.03 H new ATOM 0 HE2ALYS A 778 31.152 -9.247 17.077 0.17 50.81 H new ATOM 0 HE2BLYS A 778 30.738 -8.938 15.406 0.83 50.81 H new ATOM 0 HE3ALYS A 778 30.220 -8.800 15.909 0.17 50.81 H new ATOM 0 HE3BLYS A 778 32.248 -9.020 15.789 0.83 50.81 H new ATOM 0 HZ1ALYS A 778 31.668 -9.575 14.591 0.17 56.01 H new ATOM 0 HZ1BLYS A 778 31.042 -10.511 17.045 0.83 56.01 H new ATOM 0 HZ2ALYS A 778 32.621 -8.561 15.007 0.17 56.01 H new ATOM 0 HZ2BLYS A 778 31.617 -9.527 17.947 0.83 56.01 H new ATOM 0 HZ3ALYS A 778 32.601 -9.854 15.669 0.17 56.01 H new ATOM 0 HZ3BLYS A 778 30.211 -9.451 17.589 0.83 56.01 H new ATOM 651 N CYS A 779 31.538 -1.661 15.504 1.00 23.08 N ATOM 652 CA CYS A 779 31.336 -0.316 16.035 1.00 22.48 C ATOM 653 C CYS A 779 30.623 0.536 14.974 1.00 23.42 C ATOM 654 O CYS A 779 29.740 1.282 15.313 1.00 23.88 O ATOM 655 CB CYS A 779 32.662 0.318 16.445 1.00 23.64 C ATOM 656 SG CYS A 779 33.351 -0.364 17.974 1.00 25.40 S ATOM 0 H CYS A 779 32.355 -1.863 15.327 1.00 23.08 H new ATOM 0 HA CYS A 779 30.785 -0.366 16.832 1.00 22.48 H new ATOM 0 HB2 CYS A 779 33.304 0.198 15.728 1.00 23.64 H new ATOM 0 HB3 CYS A 779 32.535 1.273 16.555 1.00 23.64 H new ATOM 0 HG CYS A 779 33.022 0.322 18.902 1.00 25.40 H new ATOM 657 N GLU A 780 31.024 0.424 13.712 1.00 26.33 N ATOM 658 CA GLU A 780 30.353 1.121 12.592 1.00 25.08 C ATOM 659 C GLU A 780 28.839 0.762 12.499 1.00 24.19 C ATOM 660 O GLU A 780 27.988 1.627 12.352 1.00 23.51 O ATOM 661 CB GLU A 780 31.088 0.816 11.265 1.00 23.42 C ATOM 662 CG GLU A 780 32.460 1.379 11.145 1.00 24.79 C ATOM 663 CD GLU A 780 33.356 0.774 9.999 1.00 27.86 C ATOM 664 OE1 GLU A 780 33.017 -0.319 9.468 1.00 30.55 O ATOM 665 OE2 GLU A 780 34.420 1.410 9.628 1.00 30.07 O ATOM 0 H GLU A 780 31.694 -0.058 13.470 1.00 26.33 H new ATOM 0 HA GLU A 780 30.399 2.075 12.762 1.00 25.08 H new ATOM 0 HB2 GLU A 780 31.140 -0.147 11.157 1.00 23.42 H new ATOM 0 HB3 GLU A 780 30.551 1.155 10.532 1.00 23.42 H new ATOM 0 HG2 GLU A 780 32.387 2.336 11.003 1.00 24.79 H new ATOM 0 HG3 GLU A 780 32.918 1.252 11.991 1.00 24.79 H new ATOM 666 N PHE A 781 28.509 -0.501 12.681 1.00 23.98 N ATOM 667 CA PHE A 781 27.161 -0.961 12.690 1.00 22.59 C ATOM 668 C PHE A 781 26.353 -0.435 13.874 1.00 24.95 C ATOM 669 O PHE A 781 25.228 -0.003 13.697 1.00 23.82 O ATOM 670 CB PHE A 781 27.147 -2.490 12.736 1.00 23.79 C ATOM 671 CG PHE A 781 25.789 -3.127 12.559 1.00 25.73 C ATOM 672 CD1 PHE A 781 24.976 -2.778 11.508 1.00 28.48 C ATOM 673 CD2 PHE A 781 25.364 -4.129 13.401 1.00 25.95 C ATOM 674 CE1 PHE A 781 23.762 -3.417 11.287 1.00 28.95 C ATOM 675 CE2 PHE A 781 24.155 -4.741 13.221 1.00 25.94 C ATOM 676 CZ PHE A 781 23.359 -4.401 12.154 1.00 29.93 C ATOM 0 H PHE A 781 29.088 -1.125 12.806 1.00 23.98 H new ATOM 0 HA PHE A 781 26.747 -0.624 11.880 1.00 22.59 H new ATOM 0 HB2 PHE A 781 27.738 -2.825 12.044 1.00 23.79 H new ATOM 0 HB3 PHE A 781 27.514 -2.777 13.587 1.00 23.79 H new ATOM 0 HD1 PHE A 781 25.244 -2.099 10.932 1.00 28.48 H new ATOM 0 HD2 PHE A 781 25.910 -4.395 14.106 1.00 25.95 H new ATOM 0 HE1 PHE A 781 23.230 -3.181 10.562 1.00 28.95 H new ATOM 0 HE2 PHE A 781 23.870 -5.390 13.823 1.00 25.94 H new ATOM 0 HZ PHE A 781 22.549 -4.837 12.020 1.00 29.93 H new ATOM 677 N LEU A 782 26.920 -0.503 15.064 1.00 25.57 N ATOM 678 CA LEU A 782 26.321 0.076 16.258 1.00 22.57 C ATOM 679 C LEU A 782 26.058 1.572 16.072 1.00 21.94 C ATOM 680 O LEU A 782 24.993 2.072 16.425 1.00 21.33 O ATOM 681 CB LEU A 782 27.270 -0.162 17.433 1.00 24.12 C ATOM 682 CG LEU A 782 26.925 0.386 18.788 1.00 24.27 C ATOM 683 CD1 LEU A 782 25.499 0.120 19.122 1.00 26.84 C ATOM 684 CD2 LEU A 782 27.782 -0.207 19.882 1.00 24.93 C ATOM 0 H LEU A 782 27.674 -0.891 15.207 1.00 25.57 H new ATOM 0 HA LEU A 782 25.465 -0.346 16.430 1.00 22.57 H new ATOM 0 HB2 LEU A 782 27.380 -1.121 17.527 1.00 24.12 H new ATOM 0 HB3 LEU A 782 28.135 0.200 17.185 1.00 24.12 H new ATOM 0 HG LEU A 782 27.089 1.341 18.741 1.00 24.27 H new ATOM 0 HD11 LEU A 782 25.299 0.482 19.999 1.00 26.84 H new ATOM 0 HD12 LEU A 782 24.928 0.541 18.461 1.00 26.84 H new ATOM 0 HD13 LEU A 782 25.340 -0.837 19.123 1.00 26.84 H new ATOM 0 HD21 LEU A 782 27.526 0.174 20.736 1.00 24.93 H new ATOM 0 HD22 LEU A 782 27.656 -1.169 19.906 1.00 24.93 H new ATOM 0 HD23 LEU A 782 28.715 -0.008 19.706 1.00 24.93 H new ATOM 685 N LEU A 783 26.990 2.288 15.478 1.00 22.00 N ATOM 686 CA LEU A 783 26.769 3.701 15.204 1.00 20.50 C ATOM 687 C LEU A 783 25.648 3.864 14.210 1.00 22.18 C ATOM 688 O LEU A 783 24.765 4.685 14.439 1.00 19.85 O ATOM 689 CB LEU A 783 28.005 4.385 14.751 1.00 20.37 C ATOM 690 CG LEU A 783 27.993 5.857 14.370 1.00 19.95 C ATOM 691 CD1 LEU A 783 27.492 6.702 15.556 1.00 21.34 C ATOM 692 CD2 LEU A 783 29.335 6.340 13.835 1.00 20.66 C ATOM 0 H LEU A 783 27.753 1.983 15.225 1.00 22.00 H new ATOM 0 HA LEU A 783 26.511 4.130 16.035 1.00 20.50 H new ATOM 0 HB2 LEU A 783 28.662 4.280 15.457 1.00 20.37 H new ATOM 0 HB3 LEU A 783 28.334 3.895 13.981 1.00 20.37 H new ATOM 0 HG LEU A 783 27.373 5.970 13.633 1.00 19.95 H new ATOM 0 HD11 LEU A 783 27.487 7.639 15.306 1.00 21.34 H new ATOM 0 HD12 LEU A 783 26.593 6.426 15.793 1.00 21.34 H new ATOM 0 HD13 LEU A 783 28.080 6.574 16.316 1.00 21.34 H new ATOM 0 HD21 LEU A 783 29.273 7.281 13.608 1.00 20.66 H new ATOM 0 HD22 LEU A 783 30.018 6.215 14.513 1.00 20.66 H new ATOM 0 HD23 LEU A 783 29.570 5.831 13.043 1.00 20.66 H new ATOM 693 N LEU A 784 25.621 3.011 13.182 1.00 22.42 N ATOM 694 CA LEU A 784 24.542 3.047 12.229 1.00 25.24 C ATOM 695 C LEU A 784 23.191 2.818 12.875 1.00 27.08 C ATOM 696 O LEU A 784 22.202 3.515 12.552 1.00 27.92 O ATOM 697 CB LEU A 784 24.759 2.080 11.050 1.00 26.54 C ATOM 698 CG LEU A 784 23.646 2.042 9.979 1.00 25.58 C ATOM 699 CD1 LEU A 784 24.227 2.102 8.586 1.00 25.84 C ATOM 700 CD2 LEU A 784 22.800 0.809 10.126 1.00 27.86 C ATOM 0 H LEU A 784 26.219 2.412 13.030 1.00 22.42 H new ATOM 0 HA LEU A 784 24.544 3.947 11.868 1.00 25.24 H new ATOM 0 HB2 LEU A 784 25.593 2.315 10.614 1.00 26.54 H new ATOM 0 HB3 LEU A 784 24.868 1.185 11.407 1.00 26.54 H new ATOM 0 HG LEU A 784 23.087 2.823 10.114 1.00 25.58 H new ATOM 0 HD11 LEU A 784 23.509 2.077 7.934 1.00 25.84 H new ATOM 0 HD12 LEU A 784 24.730 2.924 8.480 1.00 25.84 H new ATOM 0 HD13 LEU A 784 24.815 1.343 8.448 1.00 25.84 H new ATOM 0 HD21 LEU A 784 22.110 0.807 9.445 1.00 27.86 H new ATOM 0 HD22 LEU A 784 23.356 0.021 10.025 1.00 27.86 H new ATOM 0 HD23 LEU A 784 22.387 0.802 11.004 1.00 27.86 H new ATOM 701 N LYS A 785 23.119 1.842 13.772 1.00 25.39 N ATOM 702 CA LYS A 785 21.891 1.583 14.508 1.00 24.94 C ATOM 703 C LYS A 785 21.353 2.766 15.312 1.00 24.96 C ATOM 704 O LYS A 785 20.126 2.985 15.363 1.00 26.56 O ATOM 705 CB LYS A 785 22.028 0.329 15.387 1.00 29.04 C ATOM 706 CG LYS A 785 22.028 -0.985 14.599 1.00 29.61 C ATOM 707 CD LYS A 785 20.593 -1.259 14.115 1.00 37.27 C ATOM 708 CE LYS A 785 20.495 -2.583 13.446 1.00 50.45 C ATOM 709 NZ LYS A 785 19.193 -3.207 13.755 1.00 58.13 N ATOM 0 H LYS A 785 23.772 1.318 13.969 1.00 25.39 H new ATOM 0 HA LYS A 785 21.221 1.425 13.825 1.00 24.94 H new ATOM 0 HB2 LYS A 785 22.851 0.390 15.896 1.00 29.04 H new ATOM 0 HB3 LYS A 785 21.299 0.312 16.027 1.00 29.04 H new ATOM 0 HG2 LYS A 785 22.634 -0.926 13.844 1.00 29.61 H new ATOM 0 HG3 LYS A 785 22.341 -1.714 15.157 1.00 29.61 H new ATOM 0 HD2 LYS A 785 19.983 -1.229 14.869 1.00 37.27 H new ATOM 0 HD3 LYS A 785 20.318 -0.562 13.500 1.00 37.27 H new ATOM 0 HE2 LYS A 785 20.593 -2.478 12.487 1.00 50.45 H new ATOM 0 HE3 LYS A 785 21.217 -3.159 13.743 1.00 50.45 H new ATOM 0 HZ1 LYS A 785 19.140 -3.999 13.352 1.00 58.13 H new ATOM 0 HZ2 LYS A 785 19.117 -3.317 14.635 1.00 58.13 H new ATOM 0 HZ3 LYS A 785 18.536 -2.682 13.464 1.00 58.13 H new ATOM 710 N VAL A 786 22.230 3.601 15.847 1.00 22.21 N ATOM 711 CA VAL A 786 21.776 4.831 16.482 1.00 22.38 C ATOM 712 C VAL A 786 21.216 5.828 15.472 1.00 23.07 C ATOM 713 O VAL A 786 20.177 6.447 15.726 1.00 22.37 O ATOM 714 CB VAL A 786 22.910 5.456 17.354 1.00 22.17 C ATOM 715 CG1 VAL A 786 22.606 6.859 17.909 1.00 20.43 C ATOM 716 CG2 VAL A 786 23.296 4.492 18.461 1.00 19.06 C ATOM 0 H VAL A 786 23.081 3.479 15.855 1.00 22.21 H new ATOM 0 HA VAL A 786 21.041 4.602 17.072 1.00 22.38 H new ATOM 0 HB VAL A 786 23.662 5.595 16.757 1.00 22.17 H new ATOM 0 HG11 VAL A 786 23.359 7.169 18.436 1.00 20.43 H new ATOM 0 HG12 VAL A 786 22.452 7.472 17.173 1.00 20.43 H new ATOM 0 HG13 VAL A 786 21.815 6.821 18.469 1.00 20.43 H new ATOM 0 HG21 VAL A 786 24.001 4.884 19.000 1.00 19.06 H new ATOM 0 HG22 VAL A 786 22.523 4.314 19.019 1.00 19.06 H new ATOM 0 HG23 VAL A 786 23.611 3.661 18.072 1.00 19.06 H new ATOM 717 N TYR A 787 21.894 5.992 14.327 1.00 23.79 N ATOM 718 CA TYR A 787 21.412 6.896 13.275 1.00 23.01 C ATOM 719 C TYR A 787 20.064 6.407 12.704 1.00 26.01 C ATOM 720 O TYR A 787 19.279 7.227 12.244 1.00 27.75 O ATOM 721 CB TYR A 787 22.427 7.091 12.118 1.00 22.90 C ATOM 722 CG TYR A 787 23.557 8.039 12.303 1.00 20.84 C ATOM 723 CD1 TYR A 787 23.405 9.421 12.035 1.00 23.59 C ATOM 724 CD2 TYR A 787 24.818 7.602 12.656 1.00 20.52 C ATOM 725 CE1 TYR A 787 24.461 10.292 12.138 1.00 21.77 C ATOM 726 CE2 TYR A 787 25.884 8.496 12.780 1.00 20.71 C ATOM 727 CZ TYR A 787 25.713 9.834 12.511 1.00 21.83 C ATOM 728 OH TYR A 787 26.790 10.731 12.627 1.00 21.27 O ATOM 0 H TYR A 787 22.632 5.590 14.142 1.00 23.79 H new ATOM 0 HA TYR A 787 21.295 7.759 13.702 1.00 23.01 H new ATOM 0 HB2 TYR A 787 22.805 6.222 11.910 1.00 22.90 H new ATOM 0 HB3 TYR A 787 21.929 7.378 11.337 1.00 22.90 H new ATOM 0 HD1 TYR A 787 22.571 9.746 11.783 1.00 23.59 H new ATOM 0 HD2 TYR A 787 24.960 6.697 12.814 1.00 20.52 H new ATOM 0 HE1 TYR A 787 24.335 11.195 11.956 1.00 21.77 H new ATOM 0 HE2 TYR A 787 26.718 8.183 13.047 1.00 20.71 H new ATOM 0 HH TYR A 787 26.692 11.360 12.079 1.00 21.27 H new ATOM 729 N CYS A 788 19.766 5.121 12.781 1.00 24.76 N ATOM 730 CA CYS A 788 18.451 4.603 12.349 1.00 28.00 C ATOM 731 C CYS A 788 17.257 5.138 13.138 1.00 31.43 C ATOM 732 O CYS A 788 16.139 5.072 12.669 1.00 30.25 O ATOM 733 CB CYS A 788 18.362 3.074 12.359 1.00 27.24 C ATOM 734 SG CYS A 788 19.408 2.260 11.092 1.00 31.00 S ATOM 0 H CYS A 788 20.304 4.520 13.079 1.00 24.76 H new ATOM 0 HA CYS A 788 18.395 4.935 11.439 1.00 28.00 H new ATOM 0 HB2 CYS A 788 18.620 2.750 13.236 1.00 27.24 H new ATOM 0 HB3 CYS A 788 17.438 2.812 12.220 1.00 27.24 H new ATOM 0 HG CYS A 788 20.561 2.522 11.296 1.00 31.00 H new ATOM 735 N ASP A 789 17.486 5.675 14.314 1.00 30.24 N ATOM 736 CA ASP A 789 16.380 6.243 15.114 1.00 29.05 C ATOM 737 C ASP A 789 16.286 7.695 14.772 1.00 25.69 C ATOM 738 O ASP A 789 17.286 8.437 14.768 1.00 23.30 O ATOM 739 CB ASP A 789 16.637 6.053 16.624 1.00 33.00 C ATOM 740 CG ASP A 789 15.378 6.310 17.467 1.00 37.66 C ATOM 741 OD1 ASP A 789 15.009 7.488 17.705 1.00 33.87 O ATOM 742 OD2 ASP A 789 14.770 5.289 17.881 1.00 42.48 O ATOM 0 H ASP A 789 18.262 5.729 14.681 1.00 30.24 H new ATOM 0 HA ASP A 789 15.547 5.789 14.910 1.00 29.05 H new ATOM 0 HB2 ASP A 789 16.953 5.150 16.785 1.00 33.00 H new ATOM 0 HB3 ASP A 789 17.342 6.655 16.908 1.00 33.00 H new ATOM 743 N SER A 790 15.067 8.150 14.475 1.00 28.65 N ATOM 744 CA SER A 790 14.880 9.544 14.071 1.00 29.22 C ATOM 745 C SER A 790 15.357 10.525 15.130 1.00 25.46 C ATOM 746 O SER A 790 15.828 11.643 14.764 1.00 30.45 O ATOM 747 CB SER A 790 13.406 9.828 13.706 1.00 32.56 C ATOM 748 OG SER A 790 12.608 9.628 14.881 1.00 38.61 O ATOM 0 H SER A 790 14.349 7.678 14.500 1.00 28.65 H new ATOM 0 HA SER A 790 15.429 9.676 13.282 1.00 29.22 H new ATOM 0 HB2 SER A 790 13.307 10.736 13.380 1.00 32.56 H new ATOM 0 HB3 SER A 790 13.114 9.238 12.994 1.00 32.56 H new ATOM 0 HG SER A 790 11.802 9.780 14.701 1.00 38.61 H new ATOM 749 N LYS A 791 15.324 10.129 16.411 1.00 24.36 N ATOM 750 CA LYS A 791 15.796 11.000 17.476 1.00 25.81 C ATOM 751 C LYS A 791 17.284 11.256 17.487 1.00 28.18 C ATOM 752 O LYS A 791 17.726 12.211 18.141 1.00 25.13 O ATOM 753 CB LYS A 791 15.319 10.565 18.852 1.00 28.35 C ATOM 754 CG LYS A 791 13.831 10.569 19.036 1.00 32.48 C ATOM 755 CD LYS A 791 13.444 9.573 20.153 1.00 38.40 C ATOM 756 CE LYS A 791 11.931 9.475 20.400 1.00 39.68 C ATOM 757 NZ LYS A 791 11.440 10.651 21.162 1.00 39.54 N ATOM 0 H LYS A 791 15.033 9.364 16.674 1.00 24.36 H new ATOM 0 HA LYS A 791 15.383 11.851 17.261 1.00 25.81 H new ATOM 0 HB2 LYS A 791 15.651 9.670 19.027 1.00 28.35 H new ATOM 0 HB3 LYS A 791 15.715 11.150 19.517 1.00 28.35 H new ATOM 0 HG2 LYS A 791 13.527 11.461 19.266 1.00 32.48 H new ATOM 0 HG3 LYS A 791 13.393 10.325 18.206 1.00 32.48 H new ATOM 0 HD2 LYS A 791 13.783 8.694 19.923 1.00 38.40 H new ATOM 0 HD3 LYS A 791 13.881 9.839 20.977 1.00 38.40 H new ATOM 0 HE2 LYS A 791 11.464 9.417 19.552 1.00 39.68 H new ATOM 0 HE3 LYS A 791 11.732 8.662 20.890 1.00 39.68 H new ATOM 0 HZ1 LYS A 791 10.552 10.619 21.219 1.00 39.54 H new ATOM 0 HZ2 LYS A 791 11.790 10.642 21.980 1.00 39.54 H new ATOM 0 HZ3 LYS A 791 11.683 11.398 20.744 1.00 39.54 H new ATOM 758 N SER A 792 18.068 10.484 16.721 1.00 26.77 N ATOM 759 CA SER A 792 19.494 10.806 16.542 1.00 25.09 C ATOM 760 C SER A 792 19.786 12.179 15.957 1.00 26.38 C ATOM 761 O SER A 792 20.879 12.761 16.169 1.00 22.82 O ATOM 762 CB SER A 792 20.146 9.769 15.619 1.00 26.86 C ATOM 763 OG SER A 792 19.581 9.782 14.309 1.00 28.23 O ATOM 0 H SER A 792 17.800 9.782 16.303 1.00 26.77 H new ATOM 0 HA SER A 792 19.859 10.798 17.441 1.00 25.09 H new ATOM 0 HB2 SER A 792 21.098 9.944 15.560 1.00 26.86 H new ATOM 0 HB3 SER A 792 20.043 8.885 16.005 1.00 26.86 H new ATOM 0 HG SER A 792 18.843 9.382 14.318 1.00 28.23 H new ATOM 764 N CYS A 793 18.820 12.735 15.230 1.00 25.86 N ATOM 765 CA CYS A 793 18.985 14.084 14.676 1.00 26.51 C ATOM 766 C CYS A 793 19.433 15.135 15.704 1.00 25.06 C ATOM 767 O CYS A 793 20.263 16.049 15.415 1.00 24.09 O ATOM 768 CB CYS A 793 17.630 14.506 13.999 1.00 34.96 C ATOM 769 SG CYS A 793 16.297 14.999 15.157 1.00 37.76 S ATOM 0 H CYS A 793 18.070 12.357 15.046 1.00 25.86 H new ATOM 0 HA CYS A 793 19.705 14.049 14.027 1.00 26.51 H new ATOM 0 HB2 CYS A 793 17.803 15.245 13.395 1.00 34.96 H new ATOM 0 HB3 CYS A 793 17.311 13.766 13.458 1.00 34.96 H new ATOM 0 HG CYS A 793 15.389 15.484 14.540 1.00 37.76 H new ATOM 770 N PHE A 794 18.924 15.010 16.932 1.00 24.06 N ATOM 771 CA PHE A 794 19.344 15.923 18.036 1.00 27.71 C ATOM 772 C PHE A 794 20.791 15.816 18.447 1.00 29.53 C ATOM 773 O PHE A 794 21.356 16.746 19.053 1.00 24.87 O ATOM 774 CB PHE A 794 18.502 15.669 19.323 1.00 28.51 C ATOM 775 CG PHE A 794 17.055 15.986 19.154 1.00 24.85 C ATOM 776 CD1 PHE A 794 16.652 17.292 18.936 1.00 28.78 C ATOM 777 CD2 PHE A 794 16.095 14.997 19.156 1.00 29.41 C ATOM 778 CE1 PHE A 794 15.289 17.606 18.771 1.00 28.60 C ATOM 779 CE2 PHE A 794 14.721 15.293 18.983 1.00 30.64 C ATOM 780 CZ PHE A 794 14.328 16.608 18.758 1.00 29.68 C ATOM 0 H PHE A 794 18.343 14.417 17.157 1.00 24.06 H new ATOM 0 HA PHE A 794 19.200 16.806 17.661 1.00 27.71 H new ATOM 0 HB2 PHE A 794 18.595 14.739 19.584 1.00 28.51 H new ATOM 0 HB3 PHE A 794 18.861 16.204 20.048 1.00 28.51 H new ATOM 0 HD1 PHE A 794 17.288 17.969 18.898 1.00 28.78 H new ATOM 0 HD2 PHE A 794 16.356 14.112 19.274 1.00 29.41 H new ATOM 0 HE1 PHE A 794 15.031 18.494 18.670 1.00 28.60 H new ATOM 0 HE2 PHE A 794 14.087 14.614 19.020 1.00 30.64 H new ATOM 0 HZ PHE A 794 13.435 16.814 18.601 1.00 29.68 H new ATOM 781 N PHE A 795 21.379 14.646 18.207 1.00 25.90 N ATOM 782 CA PHE A 795 22.782 14.404 18.557 1.00 24.78 C ATOM 783 C PHE A 795 23.772 14.311 17.385 1.00 25.17 C ATOM 784 O PHE A 795 24.929 14.043 17.613 1.00 24.94 O ATOM 785 CB PHE A 795 22.812 13.086 19.357 1.00 24.89 C ATOM 786 CG PHE A 795 21.919 13.156 20.553 1.00 23.78 C ATOM 787 CD1 PHE A 795 22.286 13.922 21.621 1.00 23.83 C ATOM 788 CD2 PHE A 795 20.697 12.564 20.551 1.00 24.74 C ATOM 789 CE1 PHE A 795 21.462 14.042 22.740 1.00 25.43 C ATOM 790 CE2 PHE A 795 19.853 12.685 21.646 1.00 27.54 C ATOM 791 CZ PHE A 795 20.219 13.440 22.733 1.00 25.75 C ATOM 0 H PHE A 795 20.983 13.976 17.841 1.00 25.90 H new ATOM 0 HA PHE A 795 23.085 15.179 19.055 1.00 24.78 H new ATOM 0 HB2 PHE A 795 22.535 12.352 18.786 1.00 24.89 H new ATOM 0 HB3 PHE A 795 23.721 12.897 19.640 1.00 24.89 H new ATOM 0 HD1 PHE A 795 23.100 14.372 21.602 1.00 23.83 H new ATOM 0 HD2 PHE A 795 20.423 12.073 19.810 1.00 24.74 H new ATOM 0 HE1 PHE A 795 21.747 14.523 23.483 1.00 25.43 H new ATOM 0 HE2 PHE A 795 19.031 12.250 21.644 1.00 27.54 H new ATOM 0 HZ PHE A 795 19.639 13.544 23.453 1.00 25.75 H new ATOM 792 N ALA A 796 23.318 14.546 16.165 1.00 26.07 N ATOM 793 CA ALA A 796 24.167 14.351 14.988 1.00 26.77 C ATOM 794 C ALA A 796 25.262 15.403 14.831 1.00 28.32 C ATOM 795 O ALA A 796 26.408 15.080 14.520 1.00 26.72 O ATOM 796 CB ALA A 796 23.301 14.261 13.711 1.00 30.91 C ATOM 0 H ALA A 796 22.521 14.819 15.991 1.00 26.07 H new ATOM 0 HA ALA A 796 24.632 13.511 15.126 1.00 26.77 H new ATOM 0 HB1 ALA A 796 23.874 14.132 12.939 1.00 30.91 H new ATOM 0 HB2 ALA A 796 22.689 13.512 13.787 1.00 30.91 H new ATOM 0 HB3 ALA A 796 22.796 15.082 13.604 1.00 30.91 H new ATOM 797 N SER A 797 24.943 16.668 15.048 1.00 27.70 N ATOM 798 CA SER A 797 25.848 17.701 14.613 1.00 28.00 C ATOM 799 C SER A 797 26.316 18.458 15.839 1.00 26.10 C ATOM 800 O SER A 797 25.834 18.215 16.940 1.00 25.88 O ATOM 801 CB SER A 797 25.119 18.547 13.546 1.00 32.86 C ATOM 802 OG SER A 797 24.252 19.402 14.229 1.00 35.83 O ATOM 0 H SER A 797 24.225 16.940 15.436 1.00 27.70 H new ATOM 0 HA SER A 797 26.652 17.365 14.186 1.00 28.00 H new ATOM 0 HB2 SER A 797 25.754 19.053 13.016 1.00 32.86 H new ATOM 0 HB3 SER A 797 24.628 17.978 12.933 1.00 32.86 H new ATOM 0 HG SER A 797 23.715 18.948 14.688 1.00 35.83 H new ATOM 803 N GLU A 798 27.269 19.347 15.674 1.00 23.90 N ATOM 804 CA GLU A 798 28.004 19.941 16.799 1.00 28.25 C ATOM 805 C GLU A 798 27.073 20.842 17.552 1.00 31.43 C ATOM 806 O GLU A 798 26.430 21.681 16.960 1.00 33.03 O ATOM 807 CB GLU A 798 29.199 20.771 16.330 1.00 32.74 C ATOM 808 CG GLU A 798 29.994 21.434 17.431 1.00 36.48 C ATOM 809 CD GLU A 798 31.312 22.072 16.963 1.00 42.90 C ATOM 810 OE1 GLU A 798 31.597 22.179 15.723 1.00 42.85 O ATOM 811 OE2 GLU A 798 32.100 22.443 17.882 1.00 43.69 O ATOM 0 H GLU A 798 27.520 19.634 14.903 1.00 23.90 H new ATOM 0 HA GLU A 798 28.336 19.219 17.355 1.00 28.25 H new ATOM 0 HB2 GLU A 798 29.794 20.197 15.822 1.00 32.74 H new ATOM 0 HB3 GLU A 798 28.880 21.457 15.723 1.00 32.74 H new ATOM 0 HG2 GLU A 798 29.445 22.118 17.845 1.00 36.48 H new ATOM 0 HG3 GLU A 798 30.191 20.775 18.115 1.00 36.48 H new ATOM 812 N PRO A 799 26.923 20.608 18.834 1.00 32.39 N ATOM 813 CA PRO A 799 25.986 21.358 19.618 1.00 33.59 C ATOM 814 C PRO A 799 26.568 22.694 20.103 1.00 36.32 C ATOM 815 O PRO A 799 27.791 22.927 20.029 1.00 33.23 O ATOM 816 CB PRO A 799 25.795 20.455 20.832 1.00 33.71 C ATOM 817 CG PRO A 799 27.152 19.930 21.059 1.00 33.13 C ATOM 818 CD PRO A 799 27.665 19.630 19.670 1.00 34.43 C ATOM 0 HA PRO A 799 25.183 21.575 19.118 1.00 33.59 H new ATOM 0 HB2 PRO A 799 25.466 20.948 21.600 1.00 33.71 H new ATOM 0 HB3 PRO A 799 25.158 19.745 20.657 1.00 33.71 H new ATOM 0 HG2 PRO A 799 27.713 20.579 21.512 1.00 33.13 H new ATOM 0 HG3 PRO A 799 27.137 19.133 21.612 1.00 33.13 H new ATOM 0 HD2 PRO A 799 28.625 19.754 19.605 1.00 34.43 H new ATOM 0 HD3 PRO A 799 27.479 18.715 19.406 1.00 34.43 H new ATOM 819 N TYR A 800 25.702 23.543 20.652 1.00 38.58 N ATOM 820 CA TYR A 800 26.177 24.680 21.428 1.00 38.54 C ATOM 821 C TYR A 800 25.302 24.949 22.651 1.00 33.92 C ATOM 822 O TYR A 800 24.134 24.564 22.738 1.00 30.78 O ATOM 823 CB TYR A 800 26.256 25.903 20.542 1.00 46.18 C ATOM 824 CG TYR A 800 24.917 26.377 20.034 1.00 55.03 C ATOM 825 CD1 TYR A 800 24.446 25.986 18.767 1.00 56.19 C ATOM 826 CD2 TYR A 800 24.135 27.273 20.801 1.00 65.46 C ATOM 827 CE1 TYR A 800 23.214 26.446 18.286 1.00 65.51 C ATOM 828 CE2 TYR A 800 22.905 27.752 20.330 1.00 69.99 C ATOM 829 CZ TYR A 800 22.450 27.345 19.075 1.00 72.94 C ATOM 830 OH TYR A 800 21.243 27.836 18.630 1.00 81.22 O ATOM 0 H TYR A 800 24.847 23.479 20.587 1.00 38.58 H new ATOM 0 HA TYR A 800 27.063 24.467 21.761 1.00 38.54 H new ATOM 0 HB2 TYR A 800 26.678 26.623 21.036 1.00 46.18 H new ATOM 0 HB3 TYR A 800 26.828 25.706 19.784 1.00 46.18 H new ATOM 0 HD1 TYR A 800 24.959 25.415 18.242 1.00 56.19 H new ATOM 0 HD2 TYR A 800 24.443 27.549 21.634 1.00 65.46 H new ATOM 0 HE1 TYR A 800 22.899 26.165 17.457 1.00 65.51 H new ATOM 0 HE2 TYR A 800 22.398 28.335 20.848 1.00 69.99 H new ATOM 0 HH TYR A 800 20.919 28.351 19.209 1.00 81.22 H new ATOM 831 N TYR A 801 25.881 25.673 23.577 1.00 34.14 N ATOM 832 CA TYR A 801 25.405 25.734 24.946 1.00 35.30 C ATOM 833 C TYR A 801 25.281 27.179 25.539 1.00 39.40 C ATOM 834 O TYR A 801 26.275 27.837 26.020 1.00 30.17 O ATOM 835 CB TYR A 801 26.348 24.890 25.789 1.00 34.82 C ATOM 836 CG TYR A 801 26.388 23.421 25.344 1.00 35.33 C ATOM 837 CD1 TYR A 801 25.426 22.510 25.786 1.00 31.49 C ATOM 838 CD2 TYR A 801 27.417 22.945 24.503 1.00 35.96 C ATOM 839 CE1 TYR A 801 25.483 21.139 25.402 1.00 32.28 C ATOM 840 CE2 TYR A 801 27.481 21.609 24.114 1.00 34.89 C ATOM 841 CZ TYR A 801 26.500 20.695 24.574 1.00 35.22 C ATOM 842 OH TYR A 801 26.524 19.362 24.206 1.00 31.54 O ATOM 0 H TYR A 801 26.578 26.156 23.431 1.00 34.14 H new ATOM 0 HA TYR A 801 24.497 25.394 24.957 1.00 35.30 H new ATOM 0 HB2 TYR A 801 27.242 25.263 25.739 1.00 34.82 H new ATOM 0 HB3 TYR A 801 26.073 24.935 26.718 1.00 34.82 H new ATOM 0 HD1 TYR A 801 24.738 22.803 26.339 1.00 31.49 H new ATOM 0 HD2 TYR A 801 28.068 23.537 24.202 1.00 35.96 H new ATOM 0 HE1 TYR A 801 24.838 20.543 25.707 1.00 32.28 H new ATOM 0 HE2 TYR A 801 28.165 21.318 23.555 1.00 34.89 H new ATOM 0 HH TYR A 801 25.741 19.100 24.050 1.00 31.54 H new ATOM 843 N ASN A 802 24.033 27.635 25.550 1.00 37.75 N ATOM 844 CA ASN A 802 23.715 28.930 26.128 1.00 37.68 C ATOM 845 C ASN A 802 22.314 28.893 26.724 1.00 32.49 C ATOM 846 O ASN A 802 21.334 29.239 26.069 1.00 39.73 O ATOM 847 CB ASN A 802 23.890 30.066 25.121 1.00 37.19 C ATOM 848 CG ASN A 802 23.906 31.434 25.799 1.00 40.65 C ATOM 849 OD1 ASN A 802 23.862 31.546 27.055 1.00 35.70 O ATOM 850 ND2 ASN A 802 23.998 32.480 24.980 1.00 35.58 N ATOM 0 H ASN A 802 23.359 27.209 25.228 1.00 37.75 H new ATOM 0 HA ASN A 802 24.345 29.115 26.842 1.00 37.68 H new ATOM 0 HB2 ASN A 802 24.718 29.939 24.632 1.00 37.19 H new ATOM 0 HB3 ASN A 802 23.170 30.036 24.472 1.00 37.19 H new ATOM 0 HD21 ASN A 802 24.030 33.277 25.302 1.00 35.58 H new ATOM 0 HD22 ASN A 802 24.025 32.359 24.129 1.00 35.58 H new ATOM 851 N ARG A 803 22.277 28.414 27.952 1.00 35.17 N ATOM 852 CA AARG A 803 21.046 28.218 28.718 0.43 40.56 C ATOM 853 CA BARG A 803 21.052 28.209 28.709 0.57 40.32 C ATOM 854 C ARG A 803 21.241 28.842 30.078 1.00 40.96 C ATOM 855 O ARG A 803 22.217 28.538 30.763 1.00 42.41 O ATOM 856 CB AARG A 803 20.711 26.729 28.885 0.43 43.89 C ATOM 857 CB BARG A 803 20.766 26.708 28.836 0.57 43.58 C ATOM 858 CG AARG A 803 19.754 26.402 30.036 0.43 45.00 C ATOM 859 CG BARG A 803 19.545 26.320 29.665 0.57 43.28 C ATOM 860 CD AARG A 803 19.246 24.973 30.000 0.43 45.52 C ATOM 861 CD BARG A 803 19.388 24.821 29.804 0.57 45.54 C ATOM 862 NE AARG A 803 18.081 24.849 29.147 0.43 49.26 N ATOM 863 NE BARG A 803 18.068 24.523 30.323 0.57 46.99 N ATOM 864 CZ AARG A 803 16.853 24.656 29.606 0.43 48.22 C ATOM 865 CZ BARG A 803 17.759 24.063 31.531 0.57 52.39 C ATOM 866 NH1AARG A 803 16.645 24.553 30.909 0.43 50.72 N ATOM 867 NH1BARG A 803 18.671 23.722 32.433 0.57 52.62 N ATOM 868 NH2AARG A 803 15.847 24.572 28.760 0.43 42.25 N ATOM 869 NH2BARG A 803 16.478 23.889 31.819 0.57 66.52 N ATOM 0 H AARG A 803 22.985 28.185 28.383 0.43 35.17 H new ATOM 0 H BARG A 803 22.986 28.191 28.385 0.57 35.17 H new ATOM 0 HA AARG A 803 20.309 28.632 28.242 0.43 40.32 H new ATOM 0 HA BARG A 803 20.296 28.618 28.260 0.57 40.32 H new ATOM 0 HB2AARG A 803 20.322 26.405 28.058 0.43 43.58 H new ATOM 0 HB2BARG A 803 20.657 26.342 27.944 0.57 43.58 H new ATOM 0 HB3AARG A 803 21.537 26.239 29.021 0.43 43.58 H new ATOM 0 HB3BARG A 803 21.546 26.281 29.224 0.57 43.58 H new ATOM 0 HG2AARG A 803 20.207 26.557 30.880 0.43 43.28 H new ATOM 0 HG2BARG A 803 19.618 26.717 30.547 0.57 43.28 H new ATOM 0 HG3AARG A 803 18.998 27.009 30.003 0.43 43.28 H new ATOM 0 HG3BARG A 803 18.748 26.688 29.253 0.57 43.28 H new ATOM 0 HD2AARG A 803 19.948 24.386 29.679 0.43 45.54 H new ATOM 0 HD2BARG A 803 19.513 24.391 28.943 0.57 45.54 H new ATOM 0 HD3AARG A 803 19.023 24.684 30.899 0.43 45.54 H new ATOM 0 HD3BARG A 803 20.068 24.468 30.399 0.57 45.54 H new ATOM 0 HE AARG A 803 18.193 24.904 28.296 0.43 46.99 H new ATOM 0 HE BARG A 803 17.409 24.660 29.788 0.57 46.99 H new ATOM 0 HH11AARG A 803 17.306 24.611 31.456 0.43 52.62 H new ATOM 0 HH11BARG A 803 19.508 23.794 32.247 0.57 52.62 H new ATOM 0 HH12AARG A 803 15.849 24.428 31.209 0.43 52.62 H new ATOM 0 HH12BARG A 803 18.425 23.429 33.203 0.57 52.62 H new ATOM 0 HH21AARG A 803 15.989 24.642 27.915 0.43 66.52 H new ATOM 0 HH21BARG A 803 15.877 24.072 31.232 0.57 66.52 H new ATOM 0 HH22AARG A 803 15.048 24.447 29.053 0.43 66.52 H new ATOM 0 HH22BARG A 803 16.248 23.593 32.593 0.57 66.52 H new ATOM 870 N GLU A 804 20.311 29.716 30.472 1.00 44.69 N ATOM 871 CA GLU A 804 20.356 30.319 31.806 1.00 46.41 C ATOM 872 C GLU A 804 20.414 29.204 32.846 1.00 40.04 C ATOM 873 O GLU A 804 19.616 28.290 32.840 1.00 39.83 O ATOM 874 CB GLU A 804 19.118 31.171 32.063 1.00 58.36 C ATOM 875 CG GLU A 804 19.007 31.722 33.495 1.00 76.49 C ATOM 876 CD GLU A 804 17.641 32.352 33.777 1.00 91.84 C ATOM 877 OE1 GLU A 804 16.903 32.704 32.810 1.00 91.07 O ATOM 878 OE2 GLU A 804 17.303 32.497 34.973 1.00 96.77 O ATOM 0 H GLU A 804 19.650 29.971 29.985 1.00 44.69 H new ATOM 0 HA GLU A 804 21.140 30.887 31.865 1.00 46.41 H new ATOM 0 HB2 GLU A 804 19.117 31.916 31.441 1.00 58.36 H new ATOM 0 HB3 GLU A 804 18.329 30.641 31.871 1.00 58.36 H new ATOM 0 HG2 GLU A 804 19.165 31.004 34.128 1.00 76.49 H new ATOM 0 HG3 GLU A 804 19.701 32.384 33.638 1.00 76.49 H new ATOM 879 N GLY A 805 21.372 29.285 33.739 1.00 42.31 N ATOM 880 CA GLY A 805 21.496 28.316 34.828 1.00 47.19 C ATOM 881 C GLY A 805 22.254 27.029 34.526 1.00 50.37 C ATOM 882 O GLY A 805 22.311 26.130 35.382 1.00 54.37 O ATOM 0 H GLY A 805 21.974 29.899 33.741 1.00 42.31 H new ATOM 0 HA2 GLY A 805 21.933 28.755 35.574 1.00 47.19 H new ATOM 0 HA3 GLY A 805 20.603 28.078 35.123 1.00 47.19 H new ATOM 883 N SER A 806 22.836 26.927 33.327 1.00 47.48 N ATOM 884 CA SER A 806 23.653 25.762 32.956 1.00 45.87 C ATOM 885 C SER A 806 24.931 26.217 32.316 1.00 41.91 C ATOM 886 O SER A 806 24.961 27.226 31.600 1.00 41.85 O ATOM 887 CB SER A 806 22.919 24.854 31.930 1.00 47.14 C ATOM 888 OG SER A 806 22.000 23.996 32.539 1.00 49.68 O ATOM 0 H SER A 806 22.770 27.523 32.711 1.00 47.48 H new ATOM 0 HA SER A 806 23.825 25.263 33.770 1.00 45.87 H new ATOM 0 HB2 SER A 806 22.458 25.410 31.282 1.00 47.14 H new ATOM 0 HB3 SER A 806 23.572 24.330 31.441 1.00 47.14 H new ATOM 0 HG SER A 806 21.876 23.325 32.049 1.00 49.68 H new ATOM 889 N GLN A 807 25.948 25.407 32.502 1.00 40.84 N ATOM 890 CA GLN A 807 27.208 25.576 31.824 1.00 51.57 C ATOM 891 C GLN A 807 27.441 24.423 30.816 1.00 48.25 C ATOM 892 O GLN A 807 27.095 23.255 31.072 1.00 41.34 O ATOM 893 CB GLN A 807 28.316 25.619 32.872 1.00 59.69 C ATOM 894 CG GLN A 807 28.591 27.005 33.423 1.00 71.63 C ATOM 895 CD GLN A 807 29.160 27.949 32.373 1.00 87.12 C ATOM 896 OE1 GLN A 807 29.834 27.511 31.429 1.00 85.37 O ATOM 897 NE2 GLN A 807 28.871 29.254 32.515 1.00 97.82 N ATOM 0 H GLN A 807 25.926 24.732 33.035 1.00 40.84 H new ATOM 0 HA GLN A 807 27.206 26.405 31.320 1.00 51.57 H new ATOM 0 HB2 GLN A 807 28.078 25.031 33.606 1.00 59.69 H new ATOM 0 HB3 GLN A 807 29.132 25.269 32.481 1.00 59.69 H new ATOM 0 HG2 GLN A 807 27.768 27.378 33.777 1.00 71.63 H new ATOM 0 HG3 GLN A 807 29.213 26.937 34.164 1.00 71.63 H new ATOM 0 HE21 GLN A 807 28.400 29.520 33.184 1.00 97.82 H new ATOM 0 HE22 GLN A 807 29.157 29.823 31.937 1.00 97.82 H new ATOM 898 N GLY A 808 28.033 24.744 29.678 1.00 42.98 N ATOM 899 CA GLY A 808 28.388 23.693 28.698 1.00 47.51 C ATOM 900 C GLY A 808 29.351 22.588 29.211 1.00 41.83 C ATOM 901 O GLY A 808 30.128 22.802 30.131 1.00 41.46 O ATOM 0 H GLY A 808 28.240 25.545 29.444 1.00 42.98 H new ATOM 0 HA2 GLY A 808 27.570 23.270 28.393 1.00 47.51 H new ATOM 0 HA3 GLY A 808 28.793 24.118 27.926 1.00 47.51 H new ATOM 902 N PRO A 809 29.319 21.398 28.597 1.00 36.69 N ATOM 903 CA PRO A 809 30.295 20.372 28.975 1.00 36.04 C ATOM 904 C PRO A 809 31.727 20.724 28.591 1.00 34.75 C ATOM 905 O PRO A 809 31.986 21.419 27.564 1.00 35.53 O ATOM 906 CB PRO A 809 29.785 19.119 28.245 1.00 37.66 C ATOM 907 CG PRO A 809 29.084 19.673 27.046 1.00 41.90 C ATOM 908 CD PRO A 809 28.470 20.975 27.480 1.00 37.01 C ATOM 0 HA PRO A 809 30.352 20.259 29.937 1.00 36.04 H new ATOM 0 HB2 PRO A 809 30.514 18.531 27.992 1.00 37.66 H new ATOM 0 HB3 PRO A 809 29.184 18.601 28.803 1.00 37.66 H new ATOM 0 HG2 PRO A 809 29.706 19.811 26.315 1.00 41.90 H new ATOM 0 HG3 PRO A 809 28.404 19.059 26.728 1.00 41.90 H new ATOM 0 HD2 PRO A 809 28.472 21.628 26.762 1.00 37.01 H new ATOM 0 HD3 PRO A 809 27.547 20.860 27.756 1.00 37.01 H new ATOM 909 N GLN A 810 32.643 20.198 29.404 1.00 40.34 N ATOM 910 CA GLN A 810 34.077 20.315 29.184 1.00 42.14 C ATOM 911 C GLN A 810 34.464 19.732 27.850 1.00 44.69 C ATOM 912 O GLN A 810 35.327 20.317 27.184 1.00 41.29 O ATOM 913 CB GLN A 810 34.903 19.580 30.239 1.00 47.46 C ATOM 914 CG GLN A 810 34.595 19.953 31.675 1.00 64.81 C ATOM 915 CD GLN A 810 34.837 21.409 31.938 1.00 72.45 C ATOM 916 OE1 GLN A 810 35.899 21.937 31.626 1.00 86.16 O ATOM 917 NE2 GLN A 810 33.841 22.074 32.487 1.00 85.99 N ATOM 0 H GLN A 810 32.440 19.755 30.112 1.00 40.34 H new ATOM 0 HA GLN A 810 34.265 21.266 29.228 1.00 42.14 H new ATOM 0 HB2 GLN A 810 34.764 18.626 30.131 1.00 47.46 H new ATOM 0 HB3 GLN A 810 35.843 19.751 30.070 1.00 47.46 H new ATOM 0 HG2 GLN A 810 33.670 19.738 31.873 1.00 64.81 H new ATOM 0 HG3 GLN A 810 35.144 19.421 32.272 1.00 64.81 H new ATOM 0 HE21 GLN A 810 33.112 21.666 32.691 1.00 85.99 H new ATOM 0 HE22 GLN A 810 33.920 22.916 32.641 1.00 85.99 H new ATOM 918 N LYS A 811 33.844 18.597 27.463 1.00 36.50 N ATOM 919 CA LYS A 811 34.200 17.897 26.242 1.00 32.18 C ATOM 920 C LYS A 811 32.997 17.557 25.361 1.00 30.95 C ATOM 921 O LYS A 811 32.364 16.487 25.492 1.00 28.34 O ATOM 922 CB LYS A 811 34.950 16.640 26.582 1.00 38.23 C ATOM 923 CG LYS A 811 35.440 15.904 25.309 1.00 46.26 C ATOM 924 CD LYS A 811 36.418 14.780 25.675 1.00 49.10 C ATOM 925 CE LYS A 811 36.704 13.831 24.520 1.00 53.80 C ATOM 926 NZ LYS A 811 37.093 12.511 25.106 1.00 56.98 N ATOM 0 H LYS A 811 33.210 18.225 27.909 1.00 36.50 H new ATOM 0 HA LYS A 811 34.758 18.501 25.727 1.00 32.18 H new ATOM 0 HB2 LYS A 811 35.711 16.858 27.143 1.00 38.23 H new ATOM 0 HB3 LYS A 811 34.377 16.050 27.097 1.00 38.23 H new ATOM 0 HG2 LYS A 811 34.681 15.535 24.831 1.00 46.26 H new ATOM 0 HG3 LYS A 811 35.873 16.534 24.712 1.00 46.26 H new ATOM 0 HD2 LYS A 811 37.252 15.172 25.978 1.00 49.10 H new ATOM 0 HD3 LYS A 811 36.056 14.274 26.419 1.00 49.10 H new ATOM 0 HE2 LYS A 811 35.921 13.736 23.955 1.00 53.80 H new ATOM 0 HE3 LYS A 811 37.416 14.179 23.961 1.00 53.80 H new ATOM 0 HZ1 LYS A 811 37.721 12.135 24.600 1.00 56.98 H new ATOM 0 HZ2 LYS A 811 37.409 12.633 25.929 1.00 56.98 H new ATOM 0 HZ3 LYS A 811 36.380 11.979 25.138 1.00 56.98 H new ATOM 927 N PRO A 812 32.648 18.463 24.476 1.00 31.04 N ATOM 928 CA PRO A 812 31.446 18.241 23.679 1.00 32.28 C ATOM 929 C PRO A 812 31.653 17.032 22.773 1.00 29.09 C ATOM 930 O PRO A 812 32.767 16.740 22.411 1.00 31.59 O ATOM 931 CB PRO A 812 31.377 19.535 22.815 1.00 31.54 C ATOM 932 CG PRO A 812 32.030 20.557 23.723 1.00 33.45 C ATOM 933 CD PRO A 812 33.217 19.810 24.243 1.00 32.20 C ATOM 0 HA PRO A 812 30.648 18.075 24.205 1.00 32.28 H new ATOM 0 HB2 PRO A 812 31.854 19.437 21.976 1.00 31.54 H new ATOM 0 HB3 PRO A 812 30.464 19.776 22.595 1.00 31.54 H new ATOM 0 HG2 PRO A 812 32.289 21.357 23.240 1.00 33.45 H new ATOM 0 HG3 PRO A 812 31.437 20.837 24.438 1.00 33.45 H new ATOM 0 HD2 PRO A 812 33.945 19.792 23.602 1.00 32.20 H new ATOM 0 HD3 PRO A 812 33.566 20.204 25.058 1.00 32.20 H new ATOM 934 N MET A 813 30.588 16.366 22.375 1.00 27.44 N ATOM 935 CA MET A 813 30.706 15.233 21.488 1.00 24.77 C ATOM 936 C MET A 813 29.416 15.112 20.708 1.00 25.15 C ATOM 937 O MET A 813 28.353 15.484 21.199 1.00 25.45 O ATOM 938 CB MET A 813 30.969 13.987 22.374 1.00 25.75 C ATOM 939 CG MET A 813 31.386 12.717 21.622 1.00 28.07 C ATOM 940 SD MET A 813 32.692 12.814 20.384 1.00 29.02 S ATOM 941 CE MET A 813 33.960 13.245 21.530 1.00 31.98 C ATOM 0 H MET A 813 29.783 16.556 22.609 1.00 27.44 H new ATOM 0 HA MET A 813 31.433 15.326 20.852 1.00 24.77 H new ATOM 0 HB2 MET A 813 31.663 14.206 23.016 1.00 25.75 H new ATOM 0 HB3 MET A 813 30.165 13.794 22.881 1.00 25.75 H new ATOM 0 HG2 MET A 813 31.660 12.063 22.284 1.00 28.07 H new ATOM 0 HG3 MET A 813 30.595 12.364 21.185 1.00 28.07 H new ATOM 0 HE1 MET A 813 34.825 13.184 21.094 1.00 31.98 H new ATOM 0 HE2 MET A 813 33.819 14.152 21.843 1.00 31.98 H new ATOM 0 HE3 MET A 813 33.935 12.636 22.285 1.00 31.98 H new ATOM 942 N TRP A 814 29.491 14.563 19.521 1.00 22.89 N ATOM 943 CA TRP A 814 28.323 14.428 18.664 1.00 22.36 C ATOM 944 C TRP A 814 28.539 13.314 17.684 1.00 21.25 C ATOM 945 O TRP A 814 29.703 12.851 17.540 1.00 21.00 O ATOM 946 CB TRP A 814 27.958 15.750 17.962 1.00 21.82 C ATOM 947 CG TRP A 814 29.014 16.395 17.138 1.00 23.89 C ATOM 948 CD1 TRP A 814 29.113 16.338 15.795 1.00 25.19 C ATOM 949 CD2 TRP A 814 30.122 17.196 17.586 1.00 26.65 C ATOM 950 NE1 TRP A 814 30.208 17.057 15.375 1.00 23.40 N ATOM 951 CE2 TRP A 814 30.832 17.599 16.450 1.00 24.33 C ATOM 952 CE3 TRP A 814 30.567 17.615 18.830 1.00 26.19 C ATOM 953 CZ2 TRP A 814 31.969 18.372 16.510 1.00 28.84 C ATOM 954 CZ3 TRP A 814 31.705 18.405 18.907 1.00 29.63 C ATOM 955 CH2 TRP A 814 32.409 18.774 17.752 1.00 30.75 C ATOM 0 H TRP A 814 30.218 14.255 19.181 1.00 22.89 H new ATOM 0 HA TRP A 814 27.562 14.205 19.222 1.00 22.36 H new ATOM 0 HB2 TRP A 814 27.190 15.586 17.392 1.00 21.82 H new ATOM 0 HB3 TRP A 814 27.677 16.383 18.641 1.00 21.82 H new ATOM 0 HD1 TRP A 814 28.528 15.880 15.235 1.00 25.19 H new ATOM 0 HE1 TRP A 814 30.458 17.149 14.557 1.00 23.40 H new ATOM 0 HE3 TRP A 814 30.109 17.370 19.602 1.00 26.19 H new ATOM 0 HZ2 TRP A 814 32.426 18.615 15.737 1.00 28.84 H new ATOM 0 HZ3 TRP A 814 32.006 18.694 19.738 1.00 29.63 H new ATOM 0 HH2 TRP A 814 33.177 19.293 17.825 1.00 30.75 H new ATOM 956 N LEU A 815 27.451 12.790 17.107 1.00 19.75 N ATOM 957 CA LEU A 815 27.541 11.544 16.356 1.00 22.94 C ATOM 958 C LEU A 815 28.413 11.679 15.112 1.00 26.26 C ATOM 959 O LEU A 815 29.169 10.770 14.789 1.00 24.45 O ATOM 960 CB LEU A 815 26.173 11.022 15.965 1.00 23.72 C ATOM 961 CG LEU A 815 25.235 10.574 17.089 1.00 24.35 C ATOM 962 CD1 LEU A 815 23.805 10.389 16.565 1.00 23.86 C ATOM 963 CD2 LEU A 815 25.700 9.242 17.719 1.00 24.03 C ATOM 0 H LEU A 815 26.665 13.138 17.140 1.00 19.75 H new ATOM 0 HA LEU A 815 27.960 10.904 16.952 1.00 22.94 H new ATOM 0 HB2 LEU A 815 25.722 11.716 15.459 1.00 23.72 H new ATOM 0 HB3 LEU A 815 26.300 10.270 15.365 1.00 23.72 H new ATOM 0 HG LEU A 815 25.254 11.271 17.764 1.00 24.35 H new ATOM 0 HD11 LEU A 815 23.228 10.106 17.291 1.00 23.86 H new ATOM 0 HD12 LEU A 815 23.481 11.229 16.204 1.00 23.86 H new ATOM 0 HD13 LEU A 815 23.800 9.715 15.867 1.00 23.86 H new ATOM 0 HD21 LEU A 815 25.087 8.986 18.426 1.00 24.03 H new ATOM 0 HD22 LEU A 815 25.716 8.550 17.039 1.00 24.03 H new ATOM 0 HD23 LEU A 815 26.590 9.352 18.088 1.00 24.03 H new ATOM 964 N ASN A 816 28.366 12.816 14.438 1.00 25.83 N ATOM 965 CA ASN A 816 29.187 13.016 13.212 1.00 26.05 C ATOM 966 C ASN A 816 30.634 13.100 13.511 1.00 24.06 C ATOM 967 O ASN A 816 31.418 12.697 12.696 1.00 23.03 O ATOM 968 CB ASN A 816 28.774 14.262 12.403 1.00 28.83 C ATOM 969 CG ASN A 816 27.350 14.155 11.807 1.00 32.33 C ATOM 970 OD1 ASN A 816 26.788 13.067 11.639 1.00 31.51 O ATOM 971 ND2 ASN A 816 26.768 15.316 11.459 1.00 36.33 N ATOM 0 H ASN A 816 27.876 13.488 14.656 1.00 25.83 H new ATOM 0 HA ASN A 816 29.016 12.228 12.672 1.00 26.05 H new ATOM 0 HB2 ASN A 816 28.821 15.043 12.976 1.00 28.83 H new ATOM 0 HB3 ASN A 816 29.410 14.399 11.684 1.00 28.83 H new ATOM 0 HD21 ASN A 816 25.983 15.315 11.109 1.00 36.33 H new ATOM 0 HD22 ASN A 816 27.181 16.059 11.587 1.00 36.33 H new ATOM 972 N LYS A 817 31.005 13.549 14.693 1.00 22.52 N ATOM 973 CA LYS A 817 32.374 13.531 15.128 1.00 23.88 C ATOM 974 C LYS A 817 32.857 12.108 15.410 1.00 23.69 C ATOM 975 O LYS A 817 33.940 11.746 15.005 1.00 26.65 O ATOM 976 CB LYS A 817 32.559 14.379 16.375 1.00 24.82 C ATOM 977 CG LYS A 817 33.967 14.614 16.819 1.00 30.25 C ATOM 978 CD LYS A 817 33.923 15.382 18.116 1.00 36.27 C ATOM 979 CE LYS A 817 35.284 15.521 18.752 1.00 48.32 C ATOM 980 NZ LYS A 817 36.126 16.383 17.895 1.00 61.25 N ATOM 0 H LYS A 817 30.458 13.877 15.270 1.00 22.52 H new ATOM 0 HA LYS A 817 32.904 13.901 14.405 1.00 23.88 H new ATOM 0 HB2 LYS A 817 32.141 15.241 16.221 1.00 24.82 H new ATOM 0 HB3 LYS A 817 32.077 13.957 17.103 1.00 24.82 H new ATOM 0 HG2 LYS A 817 34.430 13.770 16.940 1.00 30.25 H new ATOM 0 HG3 LYS A 817 34.456 15.112 16.146 1.00 30.25 H new ATOM 0 HD2 LYS A 817 33.554 16.264 17.954 1.00 36.27 H new ATOM 0 HD3 LYS A 817 33.325 14.933 18.734 1.00 36.27 H new ATOM 0 HE2 LYS A 817 35.202 15.906 19.638 1.00 48.32 H new ATOM 0 HE3 LYS A 817 35.695 14.649 18.858 1.00 48.32 H new ATOM 0 HZ1 LYS A 817 36.882 16.578 18.322 1.00 61.25 H new ATOM 0 HZ2 LYS A 817 36.315 15.955 17.138 1.00 61.25 H new ATOM 0 HZ3 LYS A 817 35.688 17.135 17.709 1.00 61.25 H new ATOM 981 N VAL A 818 32.029 11.312 16.034 1.00 21.97 N ATOM 982 CA VAL A 818 32.330 9.888 16.224 1.00 23.79 C ATOM 983 C VAL A 818 32.440 9.201 14.881 1.00 24.95 C ATOM 984 O VAL A 818 33.326 8.408 14.702 1.00 22.83 O ATOM 985 CB VAL A 818 31.283 9.155 17.087 1.00 22.41 C ATOM 986 CG1 VAL A 818 31.580 7.665 17.189 1.00 22.97 C ATOM 987 CG2 VAL A 818 31.287 9.721 18.499 1.00 23.29 C ATOM 0 H VAL A 818 31.276 11.564 16.364 1.00 21.97 H new ATOM 0 HA VAL A 818 33.174 9.846 16.700 1.00 23.79 H new ATOM 0 HB VAL A 818 30.422 9.284 16.659 1.00 22.41 H new ATOM 0 HG11 VAL A 818 30.904 7.237 17.737 1.00 22.97 H new ATOM 0 HG12 VAL A 818 31.573 7.272 16.302 1.00 22.97 H new ATOM 0 HG13 VAL A 818 32.452 7.536 17.593 1.00 22.97 H new ATOM 0 HG21 VAL A 818 30.627 9.256 19.036 1.00 23.29 H new ATOM 0 HG22 VAL A 818 32.165 9.602 18.893 1.00 23.29 H new ATOM 0 HG23 VAL A 818 31.071 10.666 18.470 1.00 23.29 H new ATOM 988 N LYS A 819 31.552 9.518 13.934 1.00 23.86 N ATOM 989 CA LYS A 819 31.635 8.980 12.572 1.00 26.84 C ATOM 990 C LYS A 819 32.973 9.264 11.903 1.00 27.90 C ATOM 991 O LYS A 819 33.617 8.392 11.329 1.00 27.75 O ATOM 992 CB LYS A 819 30.497 9.515 11.682 1.00 29.16 C ATOM 993 CG LYS A 819 30.451 8.843 10.346 1.00 31.36 C ATOM 994 CD LYS A 819 29.304 9.306 9.440 1.00 36.41 C ATOM 995 CE LYS A 819 28.011 8.670 9.822 1.00 36.88 C ATOM 996 NZ LYS A 819 26.981 8.762 8.732 1.00 43.34 N ATOM 0 H LYS A 819 30.887 10.049 14.062 1.00 23.86 H new ATOM 0 HA LYS A 819 31.546 8.019 12.666 1.00 26.84 H new ATOM 0 HB2 LYS A 819 29.649 9.387 12.135 1.00 29.16 H new ATOM 0 HB3 LYS A 819 30.610 10.470 11.557 1.00 29.16 H new ATOM 0 HG2 LYS A 819 31.292 8.999 9.889 1.00 31.36 H new ATOM 0 HG3 LYS A 819 30.375 7.885 10.481 1.00 31.36 H new ATOM 0 HD2 LYS A 819 29.219 10.271 9.493 1.00 36.41 H new ATOM 0 HD3 LYS A 819 29.512 9.089 8.518 1.00 36.41 H new ATOM 0 HE2 LYS A 819 28.165 7.737 10.040 1.00 36.88 H new ATOM 0 HE3 LYS A 819 27.669 9.096 10.623 1.00 36.88 H new ATOM 0 HZ1 LYS A 819 26.283 8.251 8.939 1.00 43.34 H new ATOM 0 HZ2 LYS A 819 26.715 9.607 8.646 1.00 43.34 H new ATOM 0 HZ3 LYS A 819 27.335 8.483 7.965 1.00 43.34 H new ATOM 997 N THR A 820 33.413 10.481 12.015 1.00 27.29 N ATOM 998 CA THR A 820 34.701 10.849 11.460 1.00 27.86 C ATOM 999 C THR A 820 35.886 10.173 12.169 1.00 26.61 C ATOM 1000 O THR A 820 36.834 9.760 11.540 1.00 26.42 O ATOM 1001 CB THR A 820 34.807 12.355 11.521 1.00 27.37 C ATOM 1002 OG1 THR A 820 33.846 12.845 10.611 1.00 29.26 O ATOM 1003 CG2 THR A 820 36.163 12.813 11.095 1.00 37.83 C ATOM 0 H THR A 820 32.990 11.119 12.407 1.00 27.29 H new ATOM 0 HA THR A 820 34.750 10.535 10.544 1.00 27.86 H new ATOM 0 HB THR A 820 34.661 12.674 12.425 1.00 27.37 H new ATOM 0 HG1 THR A 820 33.096 12.882 10.988 1.00 29.26 H new ATOM 0 HG21 THR A 820 36.207 13.781 11.142 1.00 37.83 H new ATOM 0 HG22 THR A 820 36.833 12.430 11.682 1.00 37.83 H new ATOM 0 HG23 THR A 820 36.330 12.526 10.184 1.00 37.83 H new ATOM 1004 N SER A 821 35.806 10.079 13.469 1.00 24.65 N ATOM 1005 CA SER A 821 36.791 9.401 14.264 1.00 28.52 C ATOM 1006 C SER A 821 36.942 7.922 13.874 1.00 27.95 C ATOM 1007 O SER A 821 38.070 7.432 13.683 1.00 28.12 O ATOM 1008 CB SER A 821 36.466 9.567 15.739 1.00 29.36 C ATOM 1009 OG SER A 821 36.663 10.910 16.130 1.00 29.81 O ATOM 0 H SER A 821 35.161 10.416 13.928 1.00 24.65 H new ATOM 0 HA SER A 821 37.653 9.810 14.088 1.00 28.52 H new ATOM 0 HB2 SER A 821 35.547 9.305 15.907 1.00 29.36 H new ATOM 0 HB3 SER A 821 37.029 8.982 16.270 1.00 29.36 H new ATOM 0 HG SER A 821 35.995 11.368 15.908 1.00 29.81 H new ATOM 1010 N LEU A 822 35.828 7.246 13.666 1.00 27.92 N ATOM 1011 CA LEU A 822 35.850 5.886 13.182 1.00 28.39 C ATOM 1012 C LEU A 822 36.406 5.756 11.782 1.00 33.79 C ATOM 1013 O LEU A 822 37.175 4.843 11.463 1.00 37.75 O ATOM 1014 CB LEU A 822 34.453 5.304 13.125 1.00 27.09 C ATOM 1015 CG LEU A 822 33.974 4.547 14.294 1.00 29.66 C ATOM 1016 CD1 LEU A 822 32.538 4.165 13.976 1.00 28.97 C ATOM 1017 CD2 LEU A 822 34.821 3.273 14.578 1.00 29.03 C ATOM 0 H LEU A 822 35.040 7.563 13.802 1.00 27.92 H new ATOM 0 HA LEU A 822 36.420 5.415 13.810 1.00 28.39 H new ATOM 0 HB2 LEU A 822 33.833 6.033 12.968 1.00 27.09 H new ATOM 0 HB3 LEU A 822 34.405 4.720 12.352 1.00 27.09 H new ATOM 0 HG LEU A 822 34.048 5.090 15.095 1.00 29.66 H new ATOM 0 HD11 LEU A 822 32.166 3.660 14.716 1.00 28.97 H new ATOM 0 HD12 LEU A 822 32.013 4.968 13.837 1.00 28.97 H new ATOM 0 HD13 LEU A 822 32.518 3.622 13.172 1.00 28.97 H new ATOM 0 HD21 LEU A 822 34.465 2.814 15.354 1.00 29.03 H new ATOM 0 HD22 LEU A 822 34.786 2.683 13.809 1.00 29.03 H new ATOM 0 HD23 LEU A 822 35.742 3.527 14.748 1.00 29.03 H new ATOM 1018 N ASN A 823 35.970 6.642 10.914 1.00 37.25 N ATOM 1019 CA ASN A 823 36.435 6.632 9.511 1.00 38.74 C ATOM 1020 C ASN A 823 37.950 6.843 9.440 1.00 38.89 C ATOM 1021 O ASN A 823 38.609 6.206 8.610 1.00 36.36 O ATOM 1022 CB ASN A 823 35.663 7.695 8.718 1.00 39.52 C ATOM 1023 CG ASN A 823 36.135 7.847 7.283 1.00 47.79 C ATOM 1024 OD1 ASN A 823 36.600 8.927 6.873 1.00 56.58 O ATOM 1025 ND2 ASN A 823 36.017 6.791 6.518 1.00 39.68 N ATOM 0 H ASN A 823 35.405 7.263 11.100 1.00 37.25 H new ATOM 0 HA ASN A 823 36.257 5.766 9.112 1.00 38.74 H new ATOM 0 HB2 ASN A 823 34.720 7.466 8.718 1.00 39.52 H new ATOM 0 HB3 ASN A 823 35.747 8.549 9.170 1.00 39.52 H new ATOM 0 HD21 ASN A 823 36.266 6.826 5.695 1.00 39.68 H new ATOM 0 HD22 ASN A 823 35.691 6.062 6.838 1.00 39.68 H new ATOM 1026 N GLU A 824 38.490 7.693 10.325 1.00 33.96 N ATOM 1027 CA GLU A 824 39.886 8.050 10.320 1.00 36.72 C ATOM 1028 C GLU A 824 40.697 7.118 11.234 1.00 35.48 C ATOM 1029 O GLU A 824 41.849 7.436 11.525 1.00 35.64 O ATOM 1030 CB GLU A 824 40.063 9.529 10.714 1.00 39.82 C ATOM 1031 CG GLU A 824 39.615 10.440 9.569 1.00 49.81 C ATOM 1032 CD GLU A 824 39.593 11.959 9.848 1.00 72.93 C ATOM 1033 OE1 GLU A 824 39.868 12.399 11.002 1.00 79.96 O ATOM 1034 OE2 GLU A 824 39.271 12.739 8.878 1.00 89.21 O ATOM 0 H GLU A 824 38.037 8.076 10.948 1.00 33.96 H new ATOM 0 HA GLU A 824 40.230 7.939 9.420 1.00 36.72 H new ATOM 0 HB2 GLU A 824 39.545 9.722 11.511 1.00 39.82 H new ATOM 0 HB3 GLU A 824 40.992 9.704 10.930 1.00 39.82 H new ATOM 0 HG2 GLU A 824 40.199 10.281 8.811 1.00 49.81 H new ATOM 0 HG3 GLU A 824 38.723 10.170 9.301 1.00 49.81 H new ATOM 1035 N GLN A 825 40.090 6.007 11.677 1.00 32.69 N ATOM 1036 CA GLN A 825 40.767 5.022 12.557 1.00 33.48 C ATOM 1037 C GLN A 825 41.447 5.629 13.740 1.00 31.24 C ATOM 1038 O GLN A 825 42.587 5.322 13.954 1.00 31.39 O ATOM 1039 CB GLN A 825 41.812 4.209 11.736 1.00 37.19 C ATOM 1040 CG GLN A 825 41.143 3.358 10.655 1.00 41.41 C ATOM 1041 CD GLN A 825 42.041 3.003 9.467 1.00 42.81 C ATOM 1042 OE1 GLN A 825 42.824 3.824 8.982 1.00 43.06 O ATOM 1043 NE2 GLN A 825 41.889 1.795 8.975 1.00 39.47 N ATOM 0 H GLN A 825 39.279 5.799 11.480 1.00 32.69 H new ATOM 0 HA GLN A 825 40.065 4.448 12.900 1.00 33.48 H new ATOM 0 HB2 GLN A 825 42.445 4.818 11.324 1.00 37.19 H new ATOM 0 HB3 GLN A 825 42.318 3.636 12.333 1.00 37.19 H new ATOM 0 HG2 GLN A 825 40.824 2.536 11.060 1.00 41.41 H new ATOM 0 HG3 GLN A 825 40.364 3.832 10.325 1.00 41.41 H new ATOM 0 HE21 GLN A 825 41.333 1.249 9.340 1.00 39.47 H new ATOM 0 HE22 GLN A 825 42.345 1.550 8.288 1.00 39.47 H new ATOM 1044 N MET A 826 40.769 6.482 14.512 1.00 31.00 N ATOM 1045 CA AMET A 826 41.371 7.129 15.665 0.53 29.87 C ATOM 1046 CA BMET A 826 41.356 7.160 15.667 0.47 31.28 C ATOM 1047 C MET A 826 41.149 6.337 16.933 1.00 30.43 C ATOM 1048 O MET A 826 41.763 6.616 17.931 1.00 32.84 O ATOM 1049 CB AMET A 826 40.791 8.535 15.883 0.53 32.66 C ATOM 1050 CB BMET A 826 40.746 8.570 15.917 0.47 36.07 C ATOM 1051 CG AMET A 826 41.032 9.489 14.725 0.53 35.19 C ATOM 1052 CG BMET A 826 40.870 9.600 14.785 0.47 41.16 C ATOM 1053 SD AMET A 826 42.766 9.956 14.580 0.53 39.78 S ATOM 1054 SD BMET A 826 40.385 11.305 15.240 0.47 51.81 S ATOM 1055 CE AMET A 826 43.010 10.938 16.064 0.53 37.53 C ATOM 1056 CE BMET A 826 39.812 11.917 13.665 0.47 47.49 C ATOM 0 H AMET A 826 39.948 6.698 14.377 0.53 31.00 H new ATOM 0 H BMET A 826 39.944 6.684 14.376 0.47 31.00 H new ATOM 0 HA AMET A 826 42.321 7.184 15.476 0.53 31.28 H new ATOM 0 HA BMET A 826 42.299 7.259 15.463 0.47 31.28 H new ATOM 0 HB2AMET A 826 39.836 8.461 16.036 0.53 36.07 H new ATOM 0 HB2BMET A 826 39.804 8.458 16.120 0.47 36.07 H new ATOM 0 HB3AMET A 826 41.178 8.913 16.688 0.53 36.07 H new ATOM 0 HB3BMET A 826 41.164 8.942 16.709 0.47 36.07 H new ATOM 0 HG2AMET A 826 40.740 9.073 13.899 0.53 41.16 H new ATOM 0 HG2BMET A 826 41.789 9.611 14.474 0.47 41.16 H new ATOM 0 HG3AMET A 826 40.493 10.286 14.847 0.53 41.16 H new ATOM 0 HG3BMET A 826 40.322 9.310 14.039 0.47 41.16 H new ATOM 0 HE1AMET A 826 43.801 11.490 15.961 0.53 47.49 H new ATOM 0 HE1BMET A 826 40.050 12.853 13.575 0.47 47.49 H new ATOM 0 HE2AMET A 826 42.237 11.506 16.207 0.53 47.49 H new ATOM 0 HE2BMET A 826 40.226 11.409 12.950 0.47 47.49 H new ATOM 0 HE3AMET A 826 43.124 10.349 16.827 0.53 47.49 H new ATOM 0 HE3BMET A 826 38.848 11.822 13.612 0.47 47.49 H new ATOM 1057 N TYR A 827 40.262 5.362 16.915 1.00 27.78 N ATOM 1058 CA TYR A 827 40.085 4.518 18.084 1.00 28.95 C ATOM 1059 C TYR A 827 40.920 3.249 17.961 1.00 31.08 C ATOM 1060 O TYR A 827 40.799 2.544 16.981 1.00 32.91 O ATOM 1061 CB TYR A 827 38.628 4.106 18.269 1.00 28.27 C ATOM 1062 CG TYR A 827 37.637 5.257 18.382 1.00 25.17 C ATOM 1063 CD1 TYR A 827 37.702 6.154 19.441 1.00 25.53 C ATOM 1064 CD2 TYR A 827 36.639 5.462 17.399 1.00 23.85 C ATOM 1065 CE1 TYR A 827 36.805 7.213 19.545 1.00 23.39 C ATOM 1066 CE2 TYR A 827 35.752 6.533 17.483 1.00 24.70 C ATOM 1067 CZ TYR A 827 35.830 7.405 18.555 1.00 24.85 C ATOM 1068 OH TYR A 827 34.933 8.431 18.682 1.00 24.24 O ATOM 0 H TYR A 827 39.756 5.171 16.246 1.00 27.78 H new ATOM 0 HA TYR A 827 40.371 5.041 18.849 1.00 28.95 H new ATOM 0 HB2 TYR A 827 38.368 3.547 17.521 1.00 28.27 H new ATOM 0 HB3 TYR A 827 38.560 3.560 19.068 1.00 28.27 H new ATOM 0 HD1 TYR A 827 38.357 6.045 20.092 1.00 25.53 H new ATOM 0 HD2 TYR A 827 36.574 4.871 16.684 1.00 23.85 H new ATOM 0 HE1 TYR A 827 36.852 7.793 20.270 1.00 23.39 H new ATOM 0 HE2 TYR A 827 35.111 6.661 16.822 1.00 24.70 H new ATOM 0 HH TYR A 827 34.918 8.694 19.480 1.00 24.24 H new ATOM 1069 N THR A 828 41.715 2.949 18.990 1.00 29.65 N ATOM 1070 CA THR A 828 42.566 1.768 19.028 1.00 27.63 C ATOM 1071 C THR A 828 41.865 0.634 19.730 1.00 27.96 C ATOM 1072 O THR A 828 42.167 -0.509 19.460 1.00 26.83 O ATOM 1073 CB THR A 828 43.925 2.052 19.702 1.00 28.74 C ATOM 1074 OG1 THR A 828 43.715 2.584 20.978 1.00 28.46 O ATOM 1075 CG2 THR A 828 44.736 3.050 18.971 1.00 31.69 C ATOM 0 H THR A 828 41.773 3.437 19.696 1.00 29.65 H new ATOM 0 HA THR A 828 42.743 1.514 18.109 1.00 27.63 H new ATOM 0 HB THR A 828 44.395 1.204 19.720 1.00 28.74 H new ATOM 0 HG1 THR A 828 44.456 2.736 21.344 1.00 28.46 H new ATOM 0 HG21 THR A 828 45.575 3.189 19.437 1.00 31.69 H new ATOM 0 HG22 THR A 828 44.914 2.728 18.074 1.00 31.69 H new ATOM 0 HG23 THR A 828 44.251 3.889 18.922 1.00 31.69 H new ATOM 1076 N ARG A 829 40.908 0.950 20.603 1.00 25.91 N ATOM 1077 CA AARG A 829 40.129 -0.076 21.288 0.23 27.04 C ATOM 1078 CA BARG A 829 40.130 -0.059 21.333 0.77 27.08 C ATOM 1079 C ARG A 829 38.649 0.270 21.257 1.00 26.01 C ATOM 1080 O ARG A 829 38.283 1.438 21.128 1.00 26.46 O ATOM 1081 CB AARG A 829 40.634 -0.240 22.729 0.23 29.21 C ATOM 1082 CB BARG A 829 40.603 -0.110 22.800 0.77 31.11 C ATOM 1083 CG AARG A 829 42.053 -0.814 22.791 0.23 30.91 C ATOM 1084 CG BARG A 829 41.971 -0.812 22.961 0.77 34.56 C ATOM 1085 CD AARG A 829 42.550 -1.124 24.191 0.23 32.51 C ATOM 1086 CD BARG A 829 42.555 -0.808 24.361 0.77 38.20 C ATOM 1087 NE AARG A 829 43.643 -2.103 24.134 0.23 34.05 N ATOM 1088 NE BARG A 829 44.015 -1.043 24.299 0.77 38.62 N ATOM 1089 CZ AARG A 829 44.931 -1.806 23.972 0.23 33.75 C ATOM 1090 CZ BARG A 829 44.650 -2.229 24.292 0.77 44.64 C ATOM 1091 NH1AARG A 829 45.314 -0.551 23.891 0.23 31.64 N ATOM 1092 NH1BARG A 829 44.007 -3.425 24.386 0.77 41.38 N ATOM 1093 NH2AARG A 829 45.844 -2.769 23.904 0.23 34.61 N ATOM 1094 NH2BARG A 829 45.987 -2.220 24.195 0.77 43.32 N ATOM 0 H AARG A 829 40.695 1.757 20.812 0.23 25.91 H new ATOM 0 H BARG A 829 40.689 1.760 20.791 0.77 25.91 H new ATOM 0 HA AARG A 829 40.243 -0.922 20.828 0.23 27.08 H new ATOM 0 HA BARG A 829 40.268 -0.930 20.929 0.77 27.08 H new ATOM 0 HB2AARG A 829 40.617 0.621 23.175 0.23 31.11 H new ATOM 0 HB2BARG A 829 40.664 0.793 23.148 0.77 31.11 H new ATOM 0 HB3AARG A 829 40.031 -0.823 23.216 0.23 31.11 H new ATOM 0 HB3BARG A 829 39.940 -0.575 23.334 0.77 31.11 H new ATOM 0 HG2AARG A 829 42.083 -1.627 22.263 0.23 34.56 H new ATOM 0 HG2BARG A 829 41.879 -1.733 22.670 0.77 34.56 H new ATOM 0 HG3AARG A 829 42.662 -0.183 22.377 0.23 34.56 H new ATOM 0 HG3BARG A 829 42.606 -0.387 22.363 0.77 34.56 H new ATOM 0 HD2AARG A 829 42.857 -0.310 24.620 0.23 38.20 H new ATOM 0 HD2BARG A 829 42.374 0.042 24.793 0.77 38.20 H new ATOM 0 HD3AARG A 829 41.823 -1.472 24.730 0.23 38.20 H new ATOM 0 HD3BARG A 829 42.131 -1.495 24.899 0.77 38.20 H new ATOM 0 HE AARG A 829 43.435 -2.934 24.211 0.23 38.62 H new ATOM 0 HE BARG A 829 44.513 -0.343 24.263 0.77 38.62 H new ATOM 0 HH11AARG A 829 44.732 0.080 23.943 0.23 41.38 H new ATOM 0 HH11BARG A 829 43.150 -3.448 24.454 0.77 41.38 H new ATOM 0 HH12AARG A 829 46.146 -0.361 23.786 0.23 41.38 H new ATOM 0 HH12BARG A 829 44.458 -4.157 24.377 0.77 41.38 H new ATOM 0 HH21AARG A 829 45.605 -3.593 23.965 0.23 43.32 H new ATOM 0 HH21BARG A 829 46.409 -1.473 24.140 0.77 43.32 H new ATOM 0 HH22AARG A 829 46.674 -2.568 23.799 0.23 43.32 H new ATOM 0 HH22BARG A 829 46.423 -2.961 24.188 0.77 43.32 H new ATOM 1095 N VAL A 830 37.809 -0.741 21.438 1.00 23.19 N ATOM 1096 CA VAL A 830 36.364 -0.583 21.504 1.00 24.88 C ATOM 1097 C VAL A 830 35.945 0.467 22.546 1.00 27.37 C ATOM 1098 O VAL A 830 34.998 1.296 22.305 1.00 24.10 O ATOM 1099 CB VAL A 830 35.666 -1.890 21.746 1.00 22.82 C ATOM 1100 CG1 VAL A 830 34.198 -1.675 22.010 1.00 24.48 C ATOM 1101 CG2 VAL A 830 35.798 -2.784 20.529 1.00 26.32 C ATOM 0 H VAL A 830 38.070 -1.556 21.528 1.00 23.19 H new ATOM 0 HA VAL A 830 36.084 -0.258 20.634 1.00 24.88 H new ATOM 0 HB VAL A 830 36.080 -2.305 22.519 1.00 22.82 H new ATOM 0 HG11 VAL A 830 33.768 -2.531 22.163 1.00 24.48 H new ATOM 0 HG12 VAL A 830 34.089 -1.114 22.794 1.00 24.48 H new ATOM 0 HG13 VAL A 830 33.791 -1.242 21.243 1.00 24.48 H new ATOM 0 HG21 VAL A 830 35.344 -3.625 20.695 1.00 26.32 H new ATOM 0 HG22 VAL A 830 35.398 -2.347 19.761 1.00 26.32 H new ATOM 0 HG23 VAL A 830 36.737 -2.953 20.351 1.00 26.32 H new ATOM 1102 N GLU A 831 36.641 0.437 23.675 1.00 25.40 N ATOM 1103 CA GLU A 831 36.461 1.403 24.768 1.00 27.95 C ATOM 1104 C GLU A 831 36.425 2.882 24.338 1.00 23.44 C ATOM 1105 O GLU A 831 35.628 3.654 24.817 1.00 24.49 O ATOM 1106 CB GLU A 831 37.626 1.204 25.693 1.00 32.52 C ATOM 1107 CG GLU A 831 37.601 1.976 26.953 1.00 45.14 C ATOM 1108 CD GLU A 831 38.768 1.515 27.822 1.00 56.17 C ATOM 1109 OE1 GLU A 831 39.951 1.456 27.266 1.00 48.06 O ATOM 1110 OE2 GLU A 831 38.428 1.144 28.993 1.00 54.14 O ATOM 0 H GLU A 831 37.244 -0.154 23.837 1.00 25.40 H new ATOM 0 HA GLU A 831 35.595 1.235 25.170 1.00 27.95 H new ATOM 0 HB2 GLU A 831 37.681 0.261 25.915 1.00 32.52 H new ATOM 0 HB3 GLU A 831 38.438 1.431 25.213 1.00 32.52 H new ATOM 0 HG2 GLU A 831 37.672 2.926 26.769 1.00 45.14 H new ATOM 0 HG3 GLU A 831 36.760 1.839 27.416 1.00 45.14 H new ATOM 1111 N GLY A 832 37.295 3.239 23.413 1.00 24.16 N ATOM 1112 CA GLY A 832 37.407 4.587 22.859 1.00 25.42 C ATOM 1113 C GLY A 832 36.103 5.005 22.207 1.00 26.87 C ATOM 1114 O GLY A 832 35.614 6.090 22.483 1.00 24.18 O ATOM 0 H GLY A 832 37.861 2.687 23.073 1.00 24.16 H new ATOM 0 HA2 GLY A 832 37.638 5.213 23.563 1.00 25.42 H new ATOM 0 HA3 GLY A 832 38.124 4.616 22.207 1.00 25.42 H new ATOM 1115 N PHE A 833 35.522 4.102 21.423 1.00 23.83 N ATOM 1116 CA PHE A 833 34.303 4.381 20.719 1.00 24.10 C ATOM 1117 C PHE A 833 33.137 4.484 21.704 1.00 25.85 C ATOM 1118 O PHE A 833 32.379 5.448 21.677 1.00 22.18 O ATOM 1119 CB PHE A 833 34.097 3.365 19.607 1.00 23.42 C ATOM 1120 CG PHE A 833 32.708 3.326 19.061 1.00 22.85 C ATOM 1121 CD1 PHE A 833 32.301 4.246 18.099 1.00 22.37 C ATOM 1122 CD2 PHE A 833 31.808 2.329 19.471 1.00 22.96 C ATOM 1123 CE1 PHE A 833 30.990 4.238 17.609 1.00 23.01 C ATOM 1124 CE2 PHE A 833 30.485 2.337 18.999 1.00 22.02 C ATOM 1125 CZ PHE A 833 30.096 3.301 18.051 1.00 24.96 C ATOM 0 H PHE A 833 35.833 3.311 21.291 1.00 23.83 H new ATOM 0 HA PHE A 833 34.355 5.245 20.281 1.00 24.10 H new ATOM 0 HB2 PHE A 833 34.712 3.563 18.884 1.00 23.42 H new ATOM 0 HB3 PHE A 833 34.327 2.484 19.941 1.00 23.42 H new ATOM 0 HD1 PHE A 833 32.908 4.874 17.778 1.00 22.37 H new ATOM 0 HD2 PHE A 833 32.088 1.662 20.056 1.00 22.96 H new ATOM 0 HE1 PHE A 833 30.726 4.871 16.981 1.00 23.01 H new ATOM 0 HE2 PHE A 833 29.872 1.711 19.310 1.00 22.02 H new ATOM 0 HZ PHE A 833 29.226 3.301 17.723 1.00 24.96 H new ATOM 1126 N VAL A 834 33.049 3.525 22.611 1.00 23.17 N ATOM 1127 CA VAL A 834 31.916 3.433 23.541 1.00 24.37 C ATOM 1128 C VAL A 834 31.951 4.613 24.482 1.00 22.61 C ATOM 1129 O VAL A 834 30.899 5.158 24.750 1.00 23.18 O ATOM 1130 CB VAL A 834 31.900 2.055 24.291 1.00 22.60 C ATOM 1131 CG1 VAL A 834 30.972 2.008 25.483 1.00 24.49 C ATOM 1132 CG2 VAL A 834 31.566 0.910 23.349 1.00 21.50 C ATOM 0 H VAL A 834 33.639 2.907 22.711 1.00 23.17 H new ATOM 0 HA VAL A 834 31.084 3.469 23.044 1.00 24.37 H new ATOM 0 HB VAL A 834 32.803 1.952 24.630 1.00 22.60 H new ATOM 0 HG11 VAL A 834 31.016 1.130 25.893 1.00 24.49 H new ATOM 0 HG12 VAL A 834 31.241 2.680 26.129 1.00 24.49 H new ATOM 0 HG13 VAL A 834 30.063 2.184 25.193 1.00 24.49 H new ATOM 0 HG21 VAL A 834 31.564 0.075 23.842 1.00 21.50 H new ATOM 0 HG22 VAL A 834 30.690 1.057 22.959 1.00 21.50 H new ATOM 0 HG23 VAL A 834 32.230 0.867 22.643 1.00 21.50 H new ATOM 1133 N GLN A 835 33.143 5.046 24.923 1.00 22.52 N ATOM 1134 CA GLN A 835 33.266 6.197 25.805 1.00 23.10 C ATOM 1135 C GLN A 835 32.721 7.494 25.173 1.00 24.71 C ATOM 1136 O GLN A 835 32.070 8.286 25.846 1.00 23.70 O ATOM 1137 CB GLN A 835 34.711 6.457 26.238 1.00 25.61 C ATOM 1138 CG GLN A 835 35.086 5.512 27.351 1.00 31.55 C ATOM 1139 CD GLN A 835 36.572 5.469 27.735 1.00 37.51 C ATOM 1140 OE1 GLN A 835 37.443 5.995 27.056 1.00 40.25 O ATOM 1141 NE2 GLN A 835 36.840 4.828 28.865 1.00 45.11 N ATOM 0 H GLN A 835 33.892 4.678 24.716 1.00 22.52 H new ATOM 0 HA GLN A 835 32.731 5.965 26.580 1.00 23.10 H new ATOM 0 HB2 GLN A 835 35.310 6.337 25.485 1.00 25.61 H new ATOM 0 HB3 GLN A 835 34.809 7.375 26.535 1.00 25.61 H new ATOM 0 HG2 GLN A 835 34.575 5.752 28.140 1.00 31.55 H new ATOM 0 HG3 GLN A 835 34.811 4.617 27.096 1.00 31.55 H new ATOM 0 HE21 GLN A 835 36.203 4.470 29.318 1.00 45.11 H new ATOM 0 HE22 GLN A 835 37.651 4.771 29.145 1.00 45.11 H new ATOM 1142 N ASP A 836 33.106 7.763 23.947 1.00 23.61 N ATOM 1143 CA ASP A 836 32.593 8.900 23.233 1.00 24.23 C ATOM 1144 C ASP A 836 31.096 8.803 22.992 1.00 22.29 C ATOM 1145 O ASP A 836 30.435 9.807 23.202 1.00 21.42 O ATOM 1146 CB ASP A 836 33.277 9.076 21.883 1.00 25.43 C ATOM 1147 CG ASP A 836 34.645 9.729 21.974 1.00 28.32 C ATOM 1148 OD1 ASP A 836 35.000 10.189 23.091 1.00 28.61 O ATOM 1149 OD2 ASP A 836 35.345 9.724 20.867 1.00 30.39 O ATOM 0 H ASP A 836 33.673 7.290 23.505 1.00 23.61 H new ATOM 0 HA ASP A 836 32.779 9.665 23.800 1.00 24.23 H new ATOM 0 HB2 ASP A 836 33.369 8.208 21.460 1.00 25.43 H new ATOM 0 HB3 ASP A 836 32.709 9.613 21.309 1.00 25.43 H new ATOM 1150 N MET A 837 30.562 7.637 22.581 1.00 22.73 N ATOM 1151 CA MET A 837 29.113 7.439 22.474 1.00 20.19 C ATOM 1152 C MET A 837 28.371 7.779 23.776 1.00 23.95 C ATOM 1153 O MET A 837 27.386 8.594 23.765 1.00 21.83 O ATOM 1154 CB MET A 837 28.716 6.073 21.944 1.00 19.09 C ATOM 1155 CG MET A 837 29.203 5.822 20.510 1.00 22.54 C ATOM 1156 SD MET A 837 28.362 6.887 19.284 1.00 23.18 S ATOM 1157 CE MET A 837 26.779 6.080 19.194 1.00 23.43 C ATOM 0 H MET A 837 31.029 6.950 22.360 1.00 22.73 H new ATOM 0 HA MET A 837 28.826 8.078 21.803 1.00 20.19 H new ATOM 0 HB2 MET A 837 29.077 5.388 22.528 1.00 19.09 H new ATOM 0 HB3 MET A 837 27.750 5.989 21.972 1.00 19.09 H new ATOM 0 HG2 MET A 837 30.160 5.977 20.465 1.00 22.54 H new ATOM 0 HG3 MET A 837 29.055 4.891 20.280 1.00 22.54 H new ATOM 0 HE1 MET A 837 26.270 6.448 18.455 1.00 23.43 H new ATOM 0 HE2 MET A 837 26.908 5.129 19.055 1.00 23.43 H new ATOM 0 HE3 MET A 837 26.295 6.223 20.022 1.00 23.43 H new ATOM 1158 N ARG A 838 28.836 7.218 24.897 1.00 22.21 N ATOM 1159 CA ARG A 838 28.179 7.457 26.183 1.00 23.51 C ATOM 1160 C ARG A 838 28.340 8.914 26.640 1.00 23.65 C ATOM 1161 O ARG A 838 27.459 9.467 27.299 1.00 24.97 O ATOM 1162 CB ARG A 838 28.708 6.507 27.278 1.00 25.03 C ATOM 1163 CG ARG A 838 28.288 5.037 27.008 1.00 25.34 C ATOM 1164 CD ARG A 838 28.862 4.041 28.003 1.00 24.93 C ATOM 1165 NE ARG A 838 28.211 2.746 27.892 1.00 25.44 N ATOM 1166 CZ ARG A 838 28.700 1.586 28.367 1.00 28.88 C ATOM 1167 NH1 ARG A 838 29.917 1.545 28.946 1.00 26.78 N ATOM 1168 NH2 ARG A 838 27.981 0.463 28.230 1.00 27.35 N ATOM 0 H ARG A 838 29.523 6.702 24.933 1.00 22.21 H new ATOM 0 HA ARG A 838 27.235 7.278 26.048 1.00 23.51 H new ATOM 0 HB2 ARG A 838 29.675 6.566 27.319 1.00 25.03 H new ATOM 0 HB3 ARG A 838 28.370 6.788 28.143 1.00 25.03 H new ATOM 0 HG2 ARG A 838 27.320 4.978 27.026 1.00 25.34 H new ATOM 0 HG3 ARG A 838 28.571 4.788 26.114 1.00 25.34 H new ATOM 0 HD2 ARG A 838 29.815 3.940 27.850 1.00 24.93 H new ATOM 0 HD3 ARG A 838 28.754 4.383 28.904 1.00 24.93 H new ATOM 0 HE ARG A 838 27.451 2.719 27.490 1.00 25.44 H new ATOM 0 HH11 ARG A 838 30.386 2.263 29.013 1.00 26.78 H new ATOM 0 HH12 ARG A 838 30.225 0.801 29.248 1.00 26.78 H new ATOM 0 HH21 ARG A 838 27.214 0.488 27.841 1.00 27.35 H new ATOM 0 HH22 ARG A 838 28.286 -0.283 28.531 1.00 27.35 H new ATOM 1169 N LEU A 839 29.434 9.528 26.242 1.00 23.54 N ATOM 1170 CA LEU A 839 29.668 10.930 26.537 1.00 25.47 C ATOM 1171 C LEU A 839 28.612 11.891 25.952 1.00 26.70 C ATOM 1172 O LEU A 839 28.164 12.840 26.628 1.00 25.16 O ATOM 1173 CB LEU A 839 31.090 11.341 26.109 1.00 25.73 C ATOM 1174 CG LEU A 839 31.566 12.783 26.425 1.00 25.95 C ATOM 1175 CD1 LEU A 839 31.584 13.031 27.923 1.00 26.90 C ATOM 1176 CD2 LEU A 839 32.933 12.995 25.847 1.00 28.44 C ATOM 0 H LEU A 839 30.063 9.149 25.794 1.00 23.54 H new ATOM 0 HA LEU A 839 29.582 11.015 27.499 1.00 25.47 H new ATOM 0 HB2 LEU A 839 31.714 10.726 26.526 1.00 25.73 H new ATOM 0 HB3 LEU A 839 31.160 11.210 25.150 1.00 25.73 H new ATOM 0 HG LEU A 839 30.945 13.412 26.025 1.00 25.95 H new ATOM 0 HD11 LEU A 839 31.884 13.937 28.098 1.00 26.90 H new ATOM 0 HD12 LEU A 839 30.691 12.912 28.282 1.00 26.90 H new ATOM 0 HD13 LEU A 839 32.189 12.403 28.348 1.00 26.90 H new ATOM 0 HD21 LEU A 839 33.232 13.897 26.044 1.00 28.44 H new ATOM 0 HD22 LEU A 839 33.552 12.358 26.237 1.00 28.44 H new ATOM 0 HD23 LEU A 839 32.901 12.868 24.886 1.00 28.44 H new ATOM 1177 N ILE A 840 28.231 11.627 24.720 1.00 24.09 N ATOM 1178 CA ILE A 840 27.134 12.351 24.044 1.00 25.49 C ATOM 1179 C ILE A 840 25.918 12.451 24.963 1.00 24.33 C ATOM 1180 O ILE A 840 25.364 13.522 25.192 1.00 24.12 O ATOM 1181 CB ILE A 840 26.744 11.660 22.719 1.00 22.42 C ATOM 1182 CG1 ILE A 840 27.908 11.759 21.717 1.00 22.78 C ATOM 1183 CG2 ILE A 840 25.481 12.236 22.118 1.00 22.98 C ATOM 1184 CD1 ILE A 840 27.652 10.961 20.466 1.00 23.28 C ATOM 0 H ILE A 840 28.596 11.019 24.234 1.00 24.09 H new ATOM 0 HA ILE A 840 27.448 13.245 23.838 1.00 25.49 H new ATOM 0 HB ILE A 840 26.562 10.728 22.918 1.00 22.42 H new ATOM 0 HG12 ILE A 840 28.052 12.689 21.482 1.00 22.78 H new ATOM 0 HG13 ILE A 840 28.723 11.444 22.138 1.00 22.78 H new ATOM 0 HG21 ILE A 840 25.276 11.773 21.291 1.00 22.98 H new ATOM 0 HG22 ILE A 840 24.746 12.125 22.741 1.00 22.98 H new ATOM 0 HG23 ILE A 840 25.610 13.180 21.936 1.00 22.98 H new ATOM 0 HD11 ILE A 840 28.407 11.051 19.864 1.00 23.28 H new ATOM 0 HD12 ILE A 840 27.532 10.026 20.697 1.00 23.28 H new ATOM 0 HD13 ILE A 840 26.851 11.291 20.030 1.00 23.28 H new ATOM 1185 N PHE A 841 25.480 11.330 25.476 1.00 24.74 N ATOM 1186 CA PHE A 841 24.259 11.320 26.278 1.00 25.17 C ATOM 1187 C PHE A 841 24.447 11.852 27.659 1.00 25.64 C ATOM 1188 O PHE A 841 23.536 12.489 28.193 1.00 28.87 O ATOM 1189 CB PHE A 841 23.660 9.924 26.260 1.00 26.28 C ATOM 1190 CG PHE A 841 23.596 9.361 24.890 1.00 25.83 C ATOM 1191 CD1 PHE A 841 22.833 9.989 23.909 1.00 26.02 C ATOM 1192 CD2 PHE A 841 24.320 8.247 24.554 1.00 25.51 C ATOM 1193 CE1 PHE A 841 22.752 9.462 22.628 1.00 27.37 C ATOM 1194 CE2 PHE A 841 24.232 7.704 23.287 1.00 23.80 C ATOM 1195 CZ PHE A 841 23.477 8.315 22.314 1.00 24.77 C ATOM 0 H PHE A 841 25.861 10.565 25.381 1.00 24.74 H new ATOM 0 HA PHE A 841 23.629 11.937 25.873 1.00 25.17 H new ATOM 0 HB2 PHE A 841 24.190 9.339 26.824 1.00 26.28 H new ATOM 0 HB3 PHE A 841 22.767 9.952 26.639 1.00 26.28 H new ATOM 0 HD1 PHE A 841 22.373 10.770 24.115 1.00 26.02 H new ATOM 0 HD2 PHE A 841 24.877 7.852 25.186 1.00 25.51 H new ATOM 0 HE1 PHE A 841 22.219 9.871 21.985 1.00 27.37 H new ATOM 0 HE2 PHE A 841 24.688 6.918 23.090 1.00 23.80 H new ATOM 0 HZ PHE A 841 23.451 7.965 21.453 1.00 24.77 H new ATOM 1196 N HIS A 842 25.619 11.633 28.234 1.00 26.98 N ATOM 1197 CA HIS A 842 25.933 12.146 29.533 1.00 29.78 C ATOM 1198 C HIS A 842 25.975 13.687 29.505 1.00 29.74 C ATOM 1199 O HIS A 842 25.464 14.366 30.421 1.00 25.57 O ATOM 1200 CB HIS A 842 27.268 11.640 30.061 1.00 33.28 C ATOM 1201 CG HIS A 842 27.469 11.944 31.501 1.00 39.68 C ATOM 1202 ND1 HIS A 842 28.317 12.935 31.950 1.00 44.03 N ATOM 1203 CD2 HIS A 842 26.891 11.412 32.608 1.00 48.40 C ATOM 1204 CE1 HIS A 842 28.266 12.990 33.271 1.00 43.16 C ATOM 1205 NE2 HIS A 842 27.395 12.089 33.694 1.00 46.22 N ATOM 0 H HIS A 842 26.252 11.178 27.871 1.00 26.98 H new ATOM 0 HA HIS A 842 25.232 11.830 30.125 1.00 29.78 H new ATOM 0 HB2 HIS A 842 27.322 10.681 29.926 1.00 33.28 H new ATOM 0 HB3 HIS A 842 27.987 12.039 29.547 1.00 33.28 H new ATOM 0 HD2 HIS A 842 26.271 10.720 32.628 1.00 48.40 H new ATOM 0 HE1 HIS A 842 28.759 13.565 33.811 1.00 43.16 H new ATOM 0 HE2 HIS A 842 27.179 11.949 34.515 1.00 46.22 H new ATOM 1206 N ASN A 843 26.585 14.235 28.487 1.00 25.22 N ATOM 1207 CA ASN A 843 26.642 15.682 28.366 1.00 25.64 C ATOM 1208 C ASN A 843 25.212 16.261 28.247 1.00 26.51 C ATOM 1209 O ASN A 843 24.882 17.263 28.855 1.00 27.34 O ATOM 1210 CB ASN A 843 27.445 16.130 27.157 1.00 23.27 C ATOM 1211 CG ASN A 843 28.937 15.981 27.336 1.00 24.49 C ATOM 1212 OD1 ASN A 843 29.496 15.780 28.431 1.00 26.60 O ATOM 1213 ND2 ASN A 843 29.609 16.125 26.231 1.00 23.24 N ATOM 0 H ASN A 843 26.973 13.799 27.855 1.00 25.22 H new ATOM 0 HA ASN A 843 27.082 16.012 29.165 1.00 25.64 H new ATOM 0 HB2 ASN A 843 27.166 15.615 26.384 1.00 23.27 H new ATOM 0 HB3 ASN A 843 27.240 17.059 26.968 1.00 23.27 H new ATOM 0 HD21 ASN A 843 30.468 16.082 26.241 1.00 23.24 H new ATOM 0 HD22 ASN A 843 29.194 16.263 25.490 1.00 23.24 H new ATOM 1214 N HIS A 844 24.362 15.620 27.477 1.00 27.77 N ATOM 1215 CA HIS A 844 23.001 16.056 27.303 1.00 29.08 C ATOM 1216 C HIS A 844 22.210 16.077 28.640 1.00 29.61 C ATOM 1217 O HIS A 844 21.568 17.081 28.975 1.00 33.76 O ATOM 1218 CB HIS A 844 22.323 15.168 26.291 1.00 27.06 C ATOM 1219 CG HIS A 844 20.878 15.501 26.020 1.00 28.19 C ATOM 1220 ND1 HIS A 844 20.474 16.251 24.928 1.00 30.91 N ATOM 1221 CD2 HIS A 844 19.738 15.115 26.648 1.00 25.49 C ATOM 1222 CE1 HIS A 844 19.149 16.286 24.888 1.00 31.51 C ATOM 1223 NE2 HIS A 844 18.682 15.657 25.957 1.00 25.40 N ATOM 0 H HIS A 844 24.562 14.910 27.035 1.00 27.77 H new ATOM 0 HA HIS A 844 23.015 16.971 26.980 1.00 29.08 H new ATOM 0 HB2 HIS A 844 22.815 15.217 25.456 1.00 27.06 H new ATOM 0 HB3 HIS A 844 22.377 14.250 26.598 1.00 27.06 H new ATOM 0 HD2 HIS A 844 19.682 14.581 27.407 1.00 25.49 H new ATOM 0 HE1 HIS A 844 18.635 16.684 24.223 1.00 31.51 H new ATOM 0 HE2 HIS A 844 17.854 15.598 26.181 1.00 25.40 H new ATOM 1224 N LYS A 845 22.265 14.987 29.362 1.00 31.79 N ATOM 1225 CA ALYS A 845 21.683 14.874 30.722 0.50 35.19 C ATOM 1226 CA BLYS A 845 21.638 14.902 30.677 0.50 35.46 C ATOM 1227 C LYS A 845 22.118 15.989 31.640 1.00 34.60 C ATOM 1228 O LYS A 845 21.318 16.676 32.251 1.00 35.70 O ATOM 1229 CB ALYS A 845 22.122 13.579 31.411 0.50 37.72 C ATOM 1230 CB BLYS A 845 21.901 13.536 31.290 0.50 38.00 C ATOM 1231 CG ALYS A 845 21.448 12.353 30.867 0.50 42.70 C ATOM 1232 CG BLYS A 845 21.208 13.316 32.622 0.50 42.49 C ATOM 1233 CD ALYS A 845 22.001 11.024 31.371 0.50 45.86 C ATOM 1234 CD BLYS A 845 22.214 13.263 33.729 0.50 46.51 C ATOM 1235 CE ALYS A 845 20.952 10.289 32.173 0.50 47.90 C ATOM 1236 CE BLYS A 845 22.499 11.814 34.055 0.50 46.55 C ATOM 1237 NZ ALYS A 845 21.284 8.843 32.352 0.50 52.03 N ATOM 1238 NZ BLYS A 845 21.328 11.246 34.754 0.50 47.49 N ATOM 0 H ALYS A 845 22.644 14.265 29.090 0.50 31.79 H new ATOM 0 H BLYS A 845 22.665 14.267 29.113 0.50 31.79 H new ATOM 0 HA ALYS A 845 20.724 14.904 30.581 0.50 35.46 H new ATOM 0 HA BLYS A 845 20.687 15.037 30.540 0.50 35.46 H new ATOM 0 HB2ALYS A 845 23.082 13.480 31.316 0.50 38.00 H new ATOM 0 HB2BLYS A 845 21.611 12.851 30.668 0.50 38.00 H new ATOM 0 HB3ALYS A 845 21.936 13.647 32.361 0.50 38.00 H new ATOM 0 HB3BLYS A 845 22.857 13.424 31.410 0.50 38.00 H new ATOM 0 HG2ALYS A 845 20.504 12.397 31.086 0.50 42.49 H new ATOM 0 HG2BLYS A 845 20.575 14.032 32.786 0.50 42.49 H new ATOM 0 HG3ALYS A 845 21.515 12.368 29.899 0.50 42.49 H new ATOM 0 HG3BLYS A 845 20.701 12.489 32.597 0.50 42.49 H new ATOM 0 HD2ALYS A 845 22.284 10.479 30.620 0.50 46.51 H new ATOM 0 HD2BLYS A 845 23.030 13.715 33.464 0.50 46.51 H new ATOM 0 HD3ALYS A 845 22.786 11.180 31.920 0.50 46.51 H new ATOM 0 HD3BLYS A 845 21.876 13.724 34.513 0.50 46.51 H new ATOM 0 HE2ALYS A 845 20.861 10.708 33.043 0.50 46.55 H new ATOM 0 HE2BLYS A 845 22.680 11.316 33.243 0.50 46.55 H new ATOM 0 HE3ALYS A 845 20.093 10.369 31.729 0.50 46.55 H new ATOM 0 HE3BLYS A 845 23.290 11.744 34.612 0.50 46.55 H new ATOM 0 HZ1ALYS A 845 20.644 8.448 32.828 0.50 47.49 H new ATOM 0 HZ1BLYS A 845 21.604 10.713 35.412 0.50 47.49 H new ATOM 0 HZ2ALYS A 845 21.346 8.451 31.555 0.50 47.49 H new ATOM 0 HZ2BLYS A 845 20.836 11.905 35.093 0.50 47.49 H new ATOM 0 HZ3ALYS A 845 22.061 8.767 32.780 0.50 47.49 H new ATOM 0 HZ3BLYS A 845 20.838 10.776 34.179 0.50 47.49 H new ATOM 1239 N GLU A 846 23.413 16.144 31.757 1.00 32.76 N ATOM 1240 CA GLU A 846 23.949 17.170 32.601 1.00 40.75 C ATOM 1241 C GLU A 846 23.518 18.566 32.216 1.00 35.81 C ATOM 1242 O GLU A 846 23.207 19.366 33.093 1.00 41.01 O ATOM 1243 CB GLU A 846 25.489 17.082 32.724 1.00 43.73 C ATOM 1244 CG GLU A 846 26.004 15.811 33.425 1.00 51.06 C ATOM 1245 CD GLU A 846 25.420 15.608 34.840 1.00 60.17 C ATOM 1246 OE1 GLU A 846 25.876 16.328 35.759 1.00 64.89 O ATOM 1247 OE2 GLU A 846 24.497 14.757 35.019 1.00 57.89 O ATOM 0 H GLU A 846 24.000 15.662 31.354 1.00 32.76 H new ATOM 0 HA GLU A 846 23.565 16.997 33.475 1.00 40.75 H new ATOM 0 HB2 GLU A 846 25.876 17.127 31.836 1.00 43.73 H new ATOM 0 HB3 GLU A 846 25.808 17.858 33.211 1.00 43.73 H new ATOM 0 HG2 GLU A 846 25.787 15.039 32.879 1.00 51.06 H new ATOM 0 HG3 GLU A 846 26.971 15.853 33.485 1.00 51.06 H new ATOM 1248 N PHE A 847 23.516 18.889 30.943 1.00 32.78 N ATOM 1249 CA PHE A 847 23.202 20.267 30.541 1.00 32.81 C ATOM 1250 C PHE A 847 21.712 20.626 30.704 1.00 36.99 C ATOM 1251 O PHE A 847 21.412 21.734 31.171 1.00 36.28 O ATOM 1252 CB PHE A 847 23.590 20.511 29.117 1.00 32.11 C ATOM 1253 CG PHE A 847 23.362 21.898 28.657 1.00 29.65 C ATOM 1254 CD1 PHE A 847 24.231 22.902 29.064 1.00 35.88 C ATOM 1255 CD2 PHE A 847 22.340 22.197 27.804 1.00 27.89 C ATOM 1256 CE1 PHE A 847 24.081 24.228 28.613 1.00 34.99 C ATOM 1257 CE2 PHE A 847 22.146 23.514 27.347 1.00 31.60 C ATOM 1258 CZ PHE A 847 23.025 24.531 27.741 1.00 35.74 C ATOM 0 H PHE A 847 23.688 18.348 30.297 1.00 32.78 H new ATOM 0 HA PHE A 847 23.717 20.832 31.138 1.00 32.81 H new ATOM 0 HB2 PHE A 847 24.529 20.294 29.006 1.00 32.11 H new ATOM 0 HB3 PHE A 847 23.090 19.906 28.548 1.00 32.11 H new ATOM 0 HD1 PHE A 847 24.926 22.695 29.646 1.00 35.88 H new ATOM 0 HD2 PHE A 847 21.765 21.523 27.521 1.00 27.89 H new ATOM 0 HE1 PHE A 847 24.672 24.891 28.889 1.00 34.99 H new ATOM 0 HE2 PHE A 847 21.433 23.709 26.783 1.00 31.60 H new ATOM 0 HZ PHE A 847 22.910 25.399 27.427 1.00 35.74 H new ATOM 1259 N TYR A 848 20.810 19.719 30.295 1.00 32.66 N ATOM 1260 CA TYR A 848 19.404 20.002 30.287 1.00 34.50 C ATOM 1261 C TYR A 848 18.731 19.752 31.626 1.00 44.24 C ATOM 1262 O TYR A 848 17.621 20.219 31.803 1.00 55.58 O ATOM 1263 CB TYR A 848 18.675 19.297 29.135 1.00 35.15 C ATOM 1264 CG TYR A 848 18.993 19.935 27.793 1.00 33.63 C ATOM 1265 CD1 TYR A 848 18.522 21.181 27.468 1.00 31.82 C ATOM 1266 CD2 TYR A 848 19.792 19.307 26.882 1.00 31.39 C ATOM 1267 CE1 TYR A 848 18.817 21.767 26.266 1.00 30.11 C ATOM 1268 CE2 TYR A 848 20.097 19.872 25.685 1.00 30.68 C ATOM 1269 CZ TYR A 848 19.616 21.116 25.393 1.00 34.63 C ATOM 1270 OH TYR A 848 19.912 21.679 24.173 1.00 33.93 O ATOM 0 H TYR A 848 21.014 18.931 30.019 1.00 32.66 H new ATOM 0 HA TYR A 848 19.332 20.956 30.129 1.00 34.50 H new ATOM 0 HB2 TYR A 848 18.928 18.361 29.116 1.00 35.15 H new ATOM 0 HB3 TYR A 848 17.718 19.329 29.290 1.00 35.15 H new ATOM 0 HD1 TYR A 848 17.990 21.639 28.078 1.00 31.82 H new ATOM 0 HD2 TYR A 848 20.138 18.468 27.087 1.00 31.39 H new ATOM 0 HE1 TYR A 848 18.471 22.604 26.053 1.00 30.11 H new ATOM 0 HE2 TYR A 848 20.627 19.417 25.071 1.00 30.68 H new ATOM 0 HH TYR A 848 19.905 22.516 24.241 1.00 33.93 H new ATOM 1271 N ARG A 849 19.395 19.099 32.583 1.00 45.05 N ATOM 1272 CA ARG A 849 18.946 19.144 33.998 1.00 58.72 C ATOM 1273 C ARG A 849 17.506 18.667 34.111 1.00 51.38 C ATOM 1274 O ARG A 849 17.238 17.537 33.826 1.00 55.87 O ATOM 1275 CB ARG A 849 19.020 20.567 34.596 1.00 70.15 C ATOM 1276 CG ARG A 849 20.347 21.254 34.573 1.00 81.93 C ATOM 1277 CD ARG A 849 21.289 20.689 35.595 1.00 84.69 C ATOM 1278 NE ARG A 849 22.423 21.614 35.704 1.00 93.45 N ATOM 1279 CZ ARG A 849 22.699 22.408 36.736 1.00 85.37 C ATOM 1280 NH1 ARG A 849 21.950 22.415 37.831 1.00 86.51 N ATOM 1281 NH2 ARG A 849 23.769 23.193 36.679 1.00 88.85 N ATOM 0 H ARG A 849 20.101 18.627 32.446 1.00 45.05 H new ATOM 0 HA ARG A 849 19.546 18.564 34.492 1.00 58.72 H new ATOM 0 HB2 ARG A 849 18.385 21.125 34.121 1.00 70.15 H new ATOM 0 HB3 ARG A 849 18.722 20.521 35.518 1.00 70.15 H new ATOM 0 HG2 ARG A 849 20.739 21.169 33.690 1.00 81.93 H new ATOM 0 HG3 ARG A 849 20.223 22.202 34.738 1.00 81.93 H new ATOM 0 HD2 ARG A 849 20.845 20.591 36.452 1.00 84.69 H new ATOM 0 HD3 ARG A 849 21.592 19.807 35.330 1.00 84.69 H new ATOM 0 HE ARG A 849 22.963 21.646 35.035 1.00 93.45 H new ATOM 0 HH11 ARG A 849 21.266 21.897 37.887 1.00 86.51 H new ATOM 0 HH12 ARG A 849 22.149 22.937 38.485 1.00 86.51 H new ATOM 0 HH21 ARG A 849 24.273 23.184 35.982 1.00 88.85 H new ATOM 0 HH22 ARG A 849 23.958 23.711 37.339 1.00 88.85 H new ATOM 1282 N GLU A 850 16.576 19.539 34.489 1.00 44.17 N ATOM 1283 CA GLU A 850 15.236 19.085 34.810 1.00 52.02 C ATOM 1284 C GLU A 850 14.346 19.418 33.665 1.00 44.83 C ATOM 1285 O GLU A 850 13.172 19.117 33.732 1.00 47.07 O ATOM 1286 CB GLU A 850 14.664 19.743 36.112 1.00 60.19 C ATOM 1287 CG GLU A 850 15.548 19.690 37.364 1.00 71.81 C ATOM 1288 CD GLU A 850 15.895 18.271 37.792 1.00 82.29 C ATOM 1289 OE1 GLU A 850 14.939 17.531 38.089 1.00 93.60 O ATOM 1290 OE2 GLU A 850 17.106 17.893 37.829 1.00 92.72 O ATOM 0 H GLU A 850 16.702 20.386 34.564 1.00 44.17 H new ATOM 0 HA GLU A 850 15.276 18.129 34.970 1.00 52.02 H new ATOM 0 HB2 GLU A 850 14.470 20.674 35.919 1.00 60.19 H new ATOM 0 HB3 GLU A 850 13.819 19.314 36.321 1.00 60.19 H new ATOM 0 HG2 GLU A 850 16.368 20.180 37.195 1.00 71.81 H new ATOM 0 HG3 GLU A 850 15.093 20.140 38.093 1.00 71.81 H new ATOM 1291 N ASP A 851 14.846 20.053 32.603 1.00 35.39 N ATOM 1292 CA ASP A 851 14.019 20.186 31.442 1.00 34.37 C ATOM 1293 C ASP A 851 13.675 18.784 30.991 1.00 35.31 C ATOM 1294 O ASP A 851 14.512 17.867 31.033 1.00 33.44 O ATOM 1295 CB ASP A 851 14.708 21.002 30.335 1.00 38.09 C ATOM 1296 CG ASP A 851 13.757 21.509 29.280 1.00 36.73 C ATOM 1297 OD1 ASP A 851 13.036 20.725 28.625 1.00 33.04 O ATOM 1298 OD2 ASP A 851 13.807 22.716 29.018 1.00 43.30 O ATOM 0 H ASP A 851 15.632 20.397 32.548 1.00 35.39 H new ATOM 0 HA ASP A 851 13.212 20.681 31.651 1.00 34.37 H new ATOM 0 HB2 ASP A 851 15.166 21.757 30.737 1.00 38.09 H new ATOM 0 HB3 ASP A 851 15.386 20.452 29.912 1.00 38.09 H new ATOM 1299 N LYS A 852 12.441 18.634 30.541 1.00 30.54 N ATOM 1300 CA LYS A 852 11.978 17.399 30.023 1.00 35.33 C ATOM 1301 C LYS A 852 12.689 16.969 28.723 1.00 28.85 C ATOM 1302 O LYS A 852 12.623 15.823 28.346 1.00 28.91 O ATOM 1303 CB LYS A 852 10.473 17.429 29.811 1.00 37.94 C ATOM 1304 CG LYS A 852 10.053 18.249 28.624 1.00 43.69 C ATOM 1305 CD LYS A 852 8.578 18.602 28.625 1.00 48.43 C ATOM 1306 CE LYS A 852 8.266 19.465 27.392 1.00 49.00 C ATOM 1307 NZ LYS A 852 6.852 19.881 27.290 1.00 43.59 N ATOM 0 H LYS A 852 11.854 19.263 30.534 1.00 30.54 H new ATOM 0 HA LYS A 852 12.198 16.733 30.693 1.00 35.33 H new ATOM 0 HB2 LYS A 852 10.151 16.521 29.698 1.00 37.94 H new ATOM 0 HB3 LYS A 852 10.048 17.784 30.607 1.00 37.94 H new ATOM 0 HG2 LYS A 852 10.574 19.067 28.604 1.00 43.69 H new ATOM 0 HG3 LYS A 852 10.261 17.760 27.812 1.00 43.69 H new ATOM 0 HD2 LYS A 852 8.041 17.794 28.613 1.00 48.43 H new ATOM 0 HD3 LYS A 852 8.350 19.082 29.436 1.00 48.43 H new ATOM 0 HE2 LYS A 852 8.826 20.257 27.413 1.00 49.00 H new ATOM 0 HE3 LYS A 852 8.506 18.970 26.593 1.00 49.00 H new ATOM 0 HZ1 LYS A 852 6.678 20.141 26.457 1.00 43.59 H new ATOM 0 HZ2 LYS A 852 6.325 19.196 27.503 1.00 43.59 H new ATOM 0 HZ3 LYS A 852 6.700 20.557 27.849 1.00 43.59 H new ATOM 1308 N PHE A 853 13.355 17.892 28.059 1.00 29.30 N ATOM 1309 CA PHE A 853 14.213 17.547 26.926 1.00 30.16 C ATOM 1310 C PHE A 853 15.388 16.572 27.305 1.00 27.53 C ATOM 1311 O PHE A 853 15.900 15.864 26.427 1.00 27.06 O ATOM 1312 CB PHE A 853 14.734 18.807 26.313 1.00 28.41 C ATOM 1313 CG PHE A 853 15.407 18.635 24.993 1.00 26.95 C ATOM 1314 CD1 PHE A 853 14.736 18.124 23.933 1.00 30.43 C ATOM 1315 CD2 PHE A 853 16.700 19.086 24.796 1.00 28.31 C ATOM 1316 CE1 PHE A 853 15.353 18.027 22.666 1.00 30.74 C ATOM 1317 CE2 PHE A 853 17.313 19.051 23.529 1.00 29.24 C ATOM 1318 CZ PHE A 853 16.640 18.519 22.472 1.00 28.38 C ATOM 0 H PHE A 853 13.329 18.731 28.244 1.00 29.30 H new ATOM 0 HA PHE A 853 13.673 17.060 26.284 1.00 30.16 H new ATOM 0 HB2 PHE A 853 13.996 19.428 26.206 1.00 28.41 H new ATOM 0 HB3 PHE A 853 15.361 19.215 26.930 1.00 28.41 H new ATOM 0 HD1 PHE A 853 13.859 17.834 24.041 1.00 30.43 H new ATOM 0 HD2 PHE A 853 17.177 19.421 25.520 1.00 28.31 H new ATOM 0 HE1 PHE A 853 14.897 17.632 21.958 1.00 30.74 H new ATOM 0 HE2 PHE A 853 18.172 19.389 23.415 1.00 29.24 H new ATOM 0 HZ PHE A 853 17.035 18.485 21.631 1.00 28.38 H new ATOM 1319 N THR A 854 15.745 16.475 28.572 1.00 27.94 N ATOM 1320 CA ATHR A 854 16.677 15.448 29.059 0.37 29.98 C ATOM 1321 CA BTHR A 854 16.699 15.444 28.989 0.63 31.73 C ATOM 1322 C THR A 854 16.274 14.049 28.563 1.00 30.99 C ATOM 1323 O THR A 854 17.117 13.188 28.363 1.00 32.28 O ATOM 1324 CB ATHR A 854 16.770 15.473 30.621 0.37 29.98 C ATOM 1325 CB BTHR A 854 16.899 15.375 30.512 0.63 33.03 C ATOM 1326 OG1ATHR A 854 17.917 14.751 31.093 0.37 28.78 O ATOM 1327 OG1BTHR A 854 15.637 15.181 31.154 0.63 39.91 O ATOM 1328 CG2ATHR A 854 15.519 14.894 31.278 0.37 30.98 C ATOM 1329 CG2BTHR A 854 17.574 16.619 31.032 0.63 32.55 C ATOM 0 H ATHR A 854 15.456 17.003 29.187 0.37 27.94 H new ATOM 0 H BTHR A 854 15.457 16.983 29.203 0.63 27.94 H new ATOM 0 HA ATHR A 854 17.554 15.652 28.698 0.37 31.73 H new ATOM 0 HA BTHR A 854 17.523 15.711 28.551 0.63 31.73 H new ATOM 0 HB ATHR A 854 16.853 16.407 30.869 0.37 33.03 H new ATOM 0 HB BTHR A 854 17.478 14.623 30.713 0.63 33.03 H new ATOM 0 HG1ATHR A 854 17.942 14.782 31.932 0.37 39.91 H new ATOM 0 HG1BTHR A 854 15.219 15.909 31.176 0.63 39.91 H new ATOM 0 HG21ATHR A 854 15.615 14.927 32.243 0.37 32.55 H new ATOM 0 HG21BTHR A 854 17.687 16.548 31.993 0.63 32.55 H new ATOM 0 HG22ATHR A 854 14.744 15.413 31.013 0.37 32.55 H new ATOM 0 HG22BTHR A 854 18.442 16.716 30.611 0.63 32.55 H new ATOM 0 HG23ATHR A 854 15.402 13.973 30.997 0.37 32.55 H new ATOM 0 HG23BTHR A 854 17.027 17.394 30.827 0.63 32.55 H new ATOM 1330 N ARG A 855 14.979 13.818 28.389 1.00 28.58 N ATOM 1331 CA ARG A 855 14.496 12.503 28.090 1.00 31.32 C ATOM 1332 C ARG A 855 14.960 11.975 26.709 1.00 29.93 C ATOM 1333 O ARG A 855 15.141 10.776 26.514 1.00 28.64 O ATOM 1334 CB ARG A 855 12.972 12.483 28.262 1.00 41.61 C ATOM 1335 CG ARG A 855 12.324 11.133 27.988 1.00 54.19 C ATOM 1336 CD ARG A 855 10.872 11.085 28.447 1.00 67.97 C ATOM 1337 NE ARG A 855 10.154 9.879 27.983 1.00 73.74 N ATOM 1338 CZ ARG A 855 9.212 9.820 27.026 1.00 79.58 C ATOM 1339 NH1 ARG A 855 8.808 10.897 26.332 1.00 77.30 N ATOM 1340 NH2 ARG A 855 8.664 8.637 26.743 1.00 81.80 N ATOM 0 H ARG A 855 14.368 14.421 28.443 1.00 28.58 H new ATOM 0 HA ARG A 855 14.890 11.880 28.720 1.00 31.32 H new ATOM 0 HB2 ARG A 855 12.756 12.755 29.168 1.00 41.61 H new ATOM 0 HB3 ARG A 855 12.582 13.143 27.668 1.00 41.61 H new ATOM 0 HG2 ARG A 855 12.367 10.943 27.038 1.00 54.19 H new ATOM 0 HG3 ARG A 855 12.827 10.437 28.440 1.00 54.19 H new ATOM 0 HD2 ARG A 855 10.844 11.118 29.416 1.00 67.97 H new ATOM 0 HD3 ARG A 855 10.410 11.874 28.123 1.00 67.97 H new ATOM 0 HE ARG A 855 10.361 9.137 28.366 1.00 73.74 H new ATOM 0 HH11 ARG A 855 9.155 11.667 26.492 1.00 77.30 H new ATOM 0 HH12 ARG A 855 8.202 10.816 25.727 1.00 77.30 H new ATOM 0 HH21 ARG A 855 8.915 7.934 27.170 1.00 81.80 H new ATOM 0 HH22 ARG A 855 8.060 8.578 26.134 1.00 81.80 H new ATOM 1341 N LEU A 856 15.196 12.880 25.773 1.00 26.93 N ATOM 1342 CA LEU A 856 15.734 12.489 24.506 1.00 26.39 C ATOM 1343 C LEU A 856 17.054 11.779 24.661 1.00 26.04 C ATOM 1344 O LEU A 856 17.273 10.815 23.944 1.00 25.60 O ATOM 1345 CB LEU A 856 15.867 13.656 23.509 1.00 27.63 C ATOM 1346 CG LEU A 856 14.649 14.112 22.643 1.00 30.98 C ATOM 1347 CD1 LEU A 856 14.180 13.025 21.680 1.00 35.40 C ATOM 1348 CD2 LEU A 856 13.446 14.562 23.421 1.00 33.24 C ATOM 0 H LEU A 856 15.048 13.723 25.861 1.00 26.93 H new ATOM 0 HA LEU A 856 15.087 11.872 24.130 1.00 26.39 H new ATOM 0 HB2 LEU A 856 16.163 14.430 24.014 1.00 27.63 H new ATOM 0 HB3 LEU A 856 16.583 13.427 22.896 1.00 27.63 H new ATOM 0 HG LEU A 856 15.006 14.876 22.164 1.00 30.98 H new ATOM 0 HD11 LEU A 856 13.425 13.352 21.166 1.00 35.40 H new ATOM 0 HD12 LEU A 856 14.904 12.791 21.078 1.00 35.40 H new ATOM 0 HD13 LEU A 856 13.912 12.240 22.183 1.00 35.40 H new ATOM 0 HD21 LEU A 856 12.743 14.825 22.807 1.00 33.24 H new ATOM 0 HD22 LEU A 856 13.131 13.834 23.980 1.00 33.24 H new ATOM 0 HD23 LEU A 856 13.686 15.318 23.980 1.00 33.24 H new ATOM 1349 N GLY A 857 17.906 12.256 25.565 1.00 27.82 N ATOM 1350 CA GLY A 857 19.184 11.651 25.863 1.00 26.21 C ATOM 1351 C GLY A 857 18.992 10.252 26.372 1.00 27.45 C ATOM 1352 O GLY A 857 19.692 9.301 25.964 1.00 26.33 O ATOM 0 H GLY A 857 17.745 12.961 26.031 1.00 27.82 H new ATOM 0 HA2 GLY A 857 19.737 11.639 25.066 1.00 26.21 H new ATOM 0 HA3 GLY A 857 19.653 12.181 26.526 1.00 26.21 H new ATOM 1353 N ILE A 858 18.059 10.110 27.302 1.00 27.67 N ATOM 1354 CA ILE A 858 17.736 8.769 27.837 1.00 28.86 C ATOM 1355 C ILE A 858 17.250 7.803 26.775 1.00 29.05 C ATOM 1356 O ILE A 858 17.675 6.634 26.720 1.00 24.86 O ATOM 1357 CB ILE A 858 16.707 8.853 28.975 1.00 32.53 C ATOM 1358 CG1 ILE A 858 17.353 9.595 30.150 1.00 37.78 C ATOM 1359 CG2 ILE A 858 16.247 7.463 29.412 1.00 32.46 C ATOM 1360 CD1 ILE A 858 16.358 10.071 31.211 1.00 39.78 C ATOM 0 H ILE A 858 17.602 10.756 27.639 1.00 27.67 H new ATOM 0 HA ILE A 858 18.571 8.419 28.185 1.00 28.86 H new ATOM 0 HB ILE A 858 15.922 9.330 28.665 1.00 32.53 H new ATOM 0 HG12 ILE A 858 18.004 9.011 30.570 1.00 37.78 H new ATOM 0 HG13 ILE A 858 17.838 10.362 29.808 1.00 37.78 H new ATOM 0 HG21 ILE A 858 15.600 7.547 30.130 1.00 32.46 H new ATOM 0 HG22 ILE A 858 15.838 7.006 28.660 1.00 32.46 H new ATOM 0 HG23 ILE A 858 17.010 6.953 29.724 1.00 32.46 H new ATOM 0 HD11 ILE A 858 16.835 10.530 31.920 1.00 39.78 H new ATOM 0 HD12 ILE A 858 15.719 10.679 30.806 1.00 39.78 H new ATOM 0 HD13 ILE A 858 15.888 9.307 31.580 1.00 39.78 H new ATOM 1361 N GLN A 859 16.387 8.289 25.907 1.00 26.38 N ATOM 1362 CA GLN A 859 15.823 7.426 24.894 1.00 28.59 C ATOM 1363 C GLN A 859 16.835 6.994 23.858 1.00 25.21 C ATOM 1364 O GLN A 859 16.879 5.834 23.443 1.00 22.87 O ATOM 1365 CB GLN A 859 14.705 8.180 24.179 1.00 33.32 C ATOM 1366 CG GLN A 859 13.506 8.363 25.054 1.00 36.17 C ATOM 1367 CD GLN A 859 12.473 9.307 24.474 1.00 40.41 C ATOM 1368 OE1 GLN A 859 12.777 10.358 23.864 1.00 36.11 O ATOM 1369 NE2 GLN A 859 11.243 8.946 24.679 1.00 41.27 N ATOM 0 H GLN A 859 16.117 9.105 25.886 1.00 26.38 H new ATOM 0 HA GLN A 859 15.499 6.629 25.342 1.00 28.59 H new ATOM 0 HB2 GLN A 859 15.032 9.048 23.894 1.00 33.32 H new ATOM 0 HB3 GLN A 859 14.450 7.696 23.378 1.00 33.32 H new ATOM 0 HG2 GLN A 859 13.093 7.499 25.209 1.00 36.17 H new ATOM 0 HG3 GLN A 859 13.793 8.700 25.917 1.00 36.17 H new ATOM 0 HE21 GLN A 859 11.074 8.217 25.102 1.00 41.27 H new ATOM 0 HE22 GLN A 859 10.597 9.436 24.391 1.00 41.27 H new ATOM 1370 N VAL A 860 17.668 7.928 23.403 1.00 23.00 N ATOM 1371 CA VAL A 860 18.643 7.540 22.402 1.00 24.80 C ATOM 1372 C VAL A 860 19.782 6.688 23.062 1.00 25.81 C ATOM 1373 O VAL A 860 20.220 5.771 22.440 1.00 25.12 O ATOM 1374 CB VAL A 860 19.179 8.719 21.595 1.00 25.09 C ATOM 1375 CG1 VAL A 860 20.139 8.209 20.570 1.00 22.64 C ATOM 1376 CG2 VAL A 860 18.027 9.439 20.905 1.00 25.69 C ATOM 0 H VAL A 860 17.684 8.752 23.649 1.00 23.00 H new ATOM 0 HA VAL A 860 18.189 6.984 21.750 1.00 24.80 H new ATOM 0 HB VAL A 860 19.630 9.341 22.187 1.00 25.09 H new ATOM 0 HG11 VAL A 860 20.485 8.953 20.052 1.00 22.64 H new ATOM 0 HG12 VAL A 860 20.873 7.754 21.012 1.00 22.64 H new ATOM 0 HG13 VAL A 860 19.683 7.589 19.980 1.00 22.64 H new ATOM 0 HG21 VAL A 860 18.373 10.187 20.394 1.00 25.69 H new ATOM 0 HG22 VAL A 860 17.571 8.824 20.309 1.00 25.69 H new ATOM 0 HG23 VAL A 860 17.403 9.765 21.572 1.00 25.69 H new ATOM 1377 N GLN A 861 20.172 6.960 24.301 1.00 25.94 N ATOM 1378 CA GLN A 861 21.087 6.071 25.027 1.00 27.08 C ATOM 1379 C GLN A 861 20.574 4.657 25.168 1.00 27.08 C ATOM 1380 O GLN A 861 21.345 3.729 24.972 1.00 23.44 O ATOM 1381 CB GLN A 861 21.495 6.589 26.399 1.00 29.78 C ATOM 1382 CG GLN A 861 22.514 5.622 27.013 1.00 34.56 C ATOM 1383 CD GLN A 861 23.399 6.171 28.103 1.00 39.70 C ATOM 1384 OE1 GLN A 861 23.082 7.157 28.736 1.00 43.70 O ATOM 1385 NE2 GLN A 861 24.536 5.478 28.348 1.00 37.65 N ATOM 0 H GLN A 861 19.921 7.653 24.744 1.00 25.94 H new ATOM 0 HA GLN A 861 21.874 6.060 24.460 1.00 27.08 H new ATOM 0 HB2 GLN A 861 21.879 7.476 26.322 1.00 29.78 H new ATOM 0 HB3 GLN A 861 20.717 6.666 26.973 1.00 29.78 H new ATOM 0 HG2 GLN A 861 22.031 4.860 27.370 1.00 34.56 H new ATOM 0 HG3 GLN A 861 23.082 5.289 26.301 1.00 34.56 H new ATOM 0 HE21 GLN A 861 24.726 4.784 27.877 1.00 37.65 H new ATOM 0 HE22 GLN A 861 25.068 5.732 28.974 1.00 37.65 H new ATOM 1386 N ASP A 862 19.298 4.484 25.438 1.00 26.56 N ATOM 1387 CA AASP A 862 18.693 3.133 25.488 0.49 28.26 C ATOM 1388 CA BASP A 862 18.711 3.142 25.497 0.51 29.62 C ATOM 1389 C ASP A 862 18.824 2.377 24.174 1.00 30.24 C ATOM 1390 O ASP A 862 19.027 1.175 24.190 1.00 28.66 O ATOM 1391 CB AASP A 862 17.213 3.181 25.883 0.49 28.68 C ATOM 1392 CB BASP A 862 17.249 3.234 25.931 0.51 31.64 C ATOM 1393 CG AASP A 862 17.008 3.599 27.324 0.49 29.76 C ATOM 1394 CG BASP A 862 16.697 1.922 26.420 0.51 34.94 C ATOM 1395 OD1AASP A 862 18.007 3.581 28.060 0.49 30.52 O ATOM 1396 OD1BASP A 862 17.417 1.202 27.126 0.51 38.86 O ATOM 1397 OD2AASP A 862 15.865 3.983 27.720 0.49 32.04 O ATOM 1398 OD2BASP A 862 15.526 1.619 26.110 0.51 38.69 O ATOM 0 H AASP A 862 18.749 5.126 25.598 0.49 26.56 H new ATOM 0 H BASP A 862 18.745 5.124 25.592 0.51 26.56 H new ATOM 0 HA AASP A 862 19.194 2.658 26.169 0.49 29.62 H new ATOM 0 HA BASP A 862 19.221 2.639 26.151 0.51 29.62 H new ATOM 0 HB2AASP A 862 16.746 3.801 25.301 0.49 31.64 H new ATOM 0 HB2BASP A 862 17.167 3.896 26.635 0.51 31.64 H new ATOM 0 HB3AASP A 862 16.816 2.307 25.744 0.49 31.64 H new ATOM 0 HB3BASP A 862 16.714 3.546 25.184 0.51 31.64 H new ATOM 1399 N ILE A 863 18.681 3.076 23.023 1.00 27.86 N ATOM 1400 CA ILE A 863 18.880 2.478 21.740 1.00 24.50 C ATOM 1401 C ILE A 863 20.314 2.053 21.572 1.00 21.82 C ATOM 1402 O ILE A 863 20.587 0.944 21.154 1.00 22.07 O ATOM 1403 CB ILE A 863 18.546 3.470 20.557 1.00 28.66 C ATOM 1404 CG1 ILE A 863 17.045 3.844 20.542 1.00 32.14 C ATOM 1405 CG2 ILE A 863 18.876 2.849 19.209 1.00 28.52 C ATOM 1406 CD1 ILE A 863 16.107 2.677 20.460 1.00 35.48 C ATOM 0 H ILE A 863 18.465 3.908 22.994 1.00 27.86 H new ATOM 0 HA ILE A 863 18.280 1.717 21.703 1.00 24.50 H new ATOM 0 HB ILE A 863 19.086 4.262 20.704 1.00 28.66 H new ATOM 0 HG12 ILE A 863 16.843 4.350 21.345 1.00 32.14 H new ATOM 0 HG13 ILE A 863 16.878 4.430 19.788 1.00 32.14 H new ATOM 0 HG21 ILE A 863 18.662 3.477 18.502 1.00 28.52 H new ATOM 0 HG22 ILE A 863 19.821 2.634 19.174 1.00 28.52 H new ATOM 0 HG23 ILE A 863 18.356 2.039 19.090 1.00 28.52 H new ATOM 0 HD11 ILE A 863 15.191 2.997 20.456 1.00 35.48 H new ATOM 0 HD12 ILE A 863 16.279 2.180 19.645 1.00 35.48 H new ATOM 0 HD13 ILE A 863 16.243 2.098 21.226 1.00 35.48 H new ATOM 1407 N PHE A 864 21.255 2.955 21.845 1.00 20.69 N ATOM 1408 CA PHE A 864 22.657 2.574 21.875 1.00 23.76 C ATOM 1409 C PHE A 864 22.983 1.316 22.727 1.00 21.49 C ATOM 1410 O PHE A 864 23.709 0.446 22.257 1.00 22.71 O ATOM 1411 CB PHE A 864 23.545 3.732 22.408 1.00 23.72 C ATOM 1412 CG PHE A 864 24.960 3.376 22.553 1.00 19.81 C ATOM 1413 CD1 PHE A 864 25.745 3.229 21.455 1.00 19.55 C ATOM 1414 CD2 PHE A 864 25.517 3.214 23.823 1.00 22.42 C ATOM 1415 CE1 PHE A 864 27.082 2.874 21.579 1.00 21.34 C ATOM 1416 CE2 PHE A 864 26.848 2.851 23.958 1.00 22.05 C ATOM 1417 CZ PHE A 864 27.631 2.636 22.825 1.00 20.57 C ATOM 0 H PHE A 864 21.101 3.784 22.014 1.00 20.69 H new ATOM 0 HA PHE A 864 22.852 2.363 20.948 1.00 23.76 H new ATOM 0 HB2 PHE A 864 23.471 4.489 21.805 1.00 23.72 H new ATOM 0 HB3 PHE A 864 23.203 4.020 23.269 1.00 23.72 H new ATOM 0 HD1 PHE A 864 25.383 3.368 20.610 1.00 19.55 H new ATOM 0 HD2 PHE A 864 24.994 3.350 24.580 1.00 22.42 H new ATOM 0 HE1 PHE A 864 27.612 2.796 20.818 1.00 21.34 H new ATOM 0 HE2 PHE A 864 27.219 2.751 24.805 1.00 22.05 H new ATOM 0 HZ PHE A 864 28.508 2.337 22.906 1.00 20.57 H new ATOM 1418 N GLU A 865 22.514 1.283 23.958 1.00 21.27 N ATOM 1419 CA GLU A 865 22.847 0.226 24.895 1.00 24.57 C ATOM 1420 C GLU A 865 22.300 -1.163 24.545 1.00 25.35 C ATOM 1421 O GLU A 865 23.040 -2.161 24.630 1.00 25.72 O ATOM 1422 CB GLU A 865 22.442 0.598 26.307 1.00 24.49 C ATOM 1423 CG GLU A 865 23.224 1.725 26.936 1.00 26.59 C ATOM 1424 CD GLU A 865 24.730 1.605 27.028 1.00 29.46 C ATOM 1425 OE1 GLU A 865 25.251 0.492 27.028 1.00 31.09 O ATOM 1426 OE2 GLU A 865 25.400 2.644 27.279 1.00 28.07 O ATOM 0 H GLU A 865 21.986 1.881 24.280 1.00 21.27 H new ATOM 0 HA GLU A 865 23.812 0.149 24.830 1.00 24.57 H new ATOM 0 HB2 GLU A 865 21.503 0.841 26.303 1.00 24.49 H new ATOM 0 HB3 GLU A 865 22.530 -0.188 26.869 1.00 24.49 H new ATOM 0 HG2 GLU A 865 23.024 2.534 26.440 1.00 26.59 H new ATOM 0 HG3 GLU A 865 22.884 1.852 27.836 1.00 26.59 H new ATOM 1427 N LYS A 866 21.063 -1.218 24.107 1.00 26.60 N ATOM 1428 CA LYS A 866 20.450 -2.437 23.575 1.00 28.50 C ATOM 1429 C LYS A 866 21.193 -2.965 22.379 1.00 27.59 C ATOM 1430 O LYS A 866 21.464 -4.161 22.270 1.00 23.93 O ATOM 1431 CB LYS A 866 19.014 -2.187 23.124 1.00 32.74 C ATOM 1432 CG LYS A 866 17.948 -2.178 24.212 1.00 44.77 C ATOM 1433 CD LYS A 866 16.528 -1.993 23.615 1.00 49.54 C ATOM 1434 CE LYS A 866 15.541 -1.444 24.649 1.00 56.59 C ATOM 1435 NZ LYS A 866 15.076 -2.514 25.580 1.00 58.48 N ATOM 0 H LYS A 866 20.535 -0.539 24.106 1.00 26.60 H new ATOM 0 HA LYS A 866 20.478 -3.080 24.301 1.00 28.50 H new ATOM 0 HB2 LYS A 866 18.985 -1.333 22.664 1.00 32.74 H new ATOM 0 HB3 LYS A 866 18.778 -2.867 22.474 1.00 32.74 H new ATOM 0 HG2 LYS A 866 17.985 -3.010 24.710 1.00 44.77 H new ATOM 0 HG3 LYS A 866 18.132 -1.463 24.841 1.00 44.77 H new ATOM 0 HD2 LYS A 866 16.572 -1.388 22.858 1.00 49.54 H new ATOM 0 HD3 LYS A 866 16.205 -2.844 23.280 1.00 49.54 H new ATOM 0 HE2 LYS A 866 15.963 -0.733 25.156 1.00 56.59 H new ATOM 0 HE3 LYS A 866 14.778 -1.054 24.195 1.00 56.59 H new ATOM 0 HZ1 LYS A 866 14.505 -2.168 26.169 1.00 58.48 H new ATOM 0 HZ2 LYS A 866 14.670 -3.156 25.116 1.00 58.48 H new ATOM 0 HZ3 LYS A 866 15.775 -2.857 26.011 1.00 58.48 H new ATOM 1436 N ASN A 867 21.543 -2.077 21.454 1.00 26.59 N ATOM 1437 CA ASN A 867 22.258 -2.523 20.291 1.00 25.03 C ATOM 1438 C ASN A 867 23.697 -2.950 20.638 1.00 24.53 C ATOM 1439 O ASN A 867 24.205 -3.886 20.027 1.00 25.08 O ATOM 1440 CB ASN A 867 22.225 -1.511 19.149 1.00 23.80 C ATOM 1441 CG ASN A 867 20.930 -1.571 18.383 1.00 25.85 C ATOM 1442 OD1 ASN A 867 20.738 -2.410 17.497 1.00 28.47 O ATOM 1443 ND2 ASN A 867 20.012 -0.668 18.728 1.00 26.21 N ATOM 0 H ASN A 867 21.376 -1.234 21.487 1.00 26.59 H new ATOM 0 HA ASN A 867 21.790 -3.309 19.967 1.00 25.03 H new ATOM 0 HB2 ASN A 867 22.348 -0.617 19.506 1.00 23.80 H new ATOM 0 HB3 ASN A 867 22.965 -1.680 18.546 1.00 23.80 H new ATOM 0 HD21 ASN A 867 19.251 -0.655 18.328 1.00 26.21 H new ATOM 0 HD22 ASN A 867 20.181 -0.099 19.350 1.00 26.21 H new ATOM 1444 N PHE A 868 24.338 -2.256 21.582 1.00 23.69 N ATOM 1445 CA PHE A 868 25.647 -2.642 22.032 1.00 23.01 C ATOM 1446 C PHE A 868 25.619 -4.070 22.593 1.00 24.91 C ATOM 1447 O PHE A 868 26.419 -4.902 22.182 1.00 24.09 O ATOM 1448 CB PHE A 868 26.114 -1.694 23.077 1.00 23.29 C ATOM 1449 CG PHE A 868 27.390 -2.099 23.725 1.00 30.22 C ATOM 1450 CD1 PHE A 868 28.590 -2.074 23.017 1.00 26.76 C ATOM 1451 CD2 PHE A 868 27.394 -2.547 25.033 1.00 33.87 C ATOM 1452 CE1 PHE A 868 29.801 -2.425 23.636 1.00 30.34 C ATOM 1453 CE2 PHE A 868 28.577 -2.938 25.634 1.00 34.88 C ATOM 1454 CZ PHE A 868 29.775 -2.859 24.935 1.00 34.46 C ATOM 0 H PHE A 868 24.019 -1.557 21.968 1.00 23.69 H new ATOM 0 HA PHE A 868 26.259 -2.618 21.280 1.00 23.01 H new ATOM 0 HB2 PHE A 868 26.227 -0.817 22.679 1.00 23.29 H new ATOM 0 HB3 PHE A 868 25.427 -1.611 23.757 1.00 23.29 H new ATOM 0 HD1 PHE A 868 28.589 -1.821 22.122 1.00 26.76 H new ATOM 0 HD2 PHE A 868 26.597 -2.586 25.511 1.00 33.87 H new ATOM 0 HE1 PHE A 868 30.605 -2.364 23.173 1.00 30.34 H new ATOM 0 HE2 PHE A 868 28.570 -3.255 26.508 1.00 34.88 H new ATOM 0 HZ PHE A 868 30.569 -3.104 25.354 1.00 34.46 H new ATOM 1455 N ARG A 869 24.705 -4.326 23.536 1.00 25.62 N ATOM 1456 CA ARG A 869 24.487 -5.688 24.095 1.00 28.16 C ATOM 1457 C ARG A 869 24.226 -6.781 23.029 1.00 32.91 C ATOM 1458 O ARG A 869 24.863 -7.822 23.033 1.00 30.36 O ATOM 1459 CB ARG A 869 23.383 -5.655 25.107 1.00 28.52 C ATOM 1460 CG ARG A 869 23.847 -4.955 26.358 1.00 31.32 C ATOM 1461 CD ARG A 869 22.896 -5.127 27.550 1.00 34.08 C ATOM 1462 NE ARG A 869 21.505 -4.769 27.255 1.00 34.66 N ATOM 1463 CZ ARG A 869 20.964 -3.564 27.471 1.00 38.30 C ATOM 1464 NH1 ARG A 869 21.679 -2.543 27.955 1.00 37.65 N ATOM 1465 NH2 ARG A 869 19.686 -3.371 27.172 1.00 39.94 N ATOM 0 H ARG A 869 24.192 -3.724 23.874 1.00 25.62 H new ATOM 0 HA ARG A 869 25.320 -5.942 24.521 1.00 28.16 H new ATOM 0 HB2 ARG A 869 22.611 -5.197 24.739 1.00 28.52 H new ATOM 0 HB3 ARG A 869 23.102 -6.559 25.319 1.00 28.52 H new ATOM 0 HG2 ARG A 869 24.723 -5.293 26.602 1.00 31.32 H new ATOM 0 HG3 ARG A 869 23.950 -4.009 26.170 1.00 31.32 H new ATOM 0 HD2 ARG A 869 22.927 -6.050 27.847 1.00 34.08 H new ATOM 0 HD3 ARG A 869 23.212 -4.581 28.287 1.00 34.08 H new ATOM 0 HE ARG A 869 21.000 -5.378 26.918 1.00 34.66 H new ATOM 0 HH11 ARG A 869 22.513 -2.650 28.137 1.00 37.65 H new ATOM 0 HH12 ARG A 869 21.305 -1.779 28.084 1.00 37.65 H new ATOM 0 HH21 ARG A 869 19.219 -4.015 26.845 1.00 39.94 H new ATOM 0 HH22 ARG A 869 19.325 -2.602 27.305 1.00 39.94 H new ATOM 1466 N ASN A 870 23.374 -6.486 22.044 1.00 32.03 N ATOM 1467 CA ASN A 870 23.142 -7.399 20.928 1.00 34.04 C ATOM 1468 C ASN A 870 24.388 -7.647 20.056 1.00 34.81 C ATOM 1469 O ASN A 870 24.790 -8.791 19.809 1.00 32.16 O ATOM 1470 CB ASN A 870 21.977 -6.907 20.050 1.00 33.97 C ATOM 1471 CG ASN A 870 21.700 -7.850 18.881 1.00 45.29 C ATOM 1472 OD1 ASN A 870 22.082 -7.606 17.730 1.00 50.30 O ATOM 1473 ND2 ASN A 870 21.057 -8.941 19.174 1.00 50.01 N ATOM 0 H ASN A 870 22.919 -5.757 22.006 1.00 32.03 H new ATOM 0 HA ASN A 870 22.913 -8.251 21.332 1.00 34.04 H new ATOM 0 HB2 ASN A 870 21.177 -6.823 20.593 1.00 33.97 H new ATOM 0 HB3 ASN A 870 22.182 -6.022 19.709 1.00 33.97 H new ATOM 0 HD21 ASN A 870 20.886 -9.518 18.559 1.00 50.01 H new ATOM 0 HD22 ASN A 870 20.803 -9.086 19.983 1.00 50.01 H new ATOM 1474 N ILE A 871 24.973 -6.569 19.543 1.00 31.80 N ATOM 1475 CA ILE A 871 26.047 -6.692 18.576 1.00 30.72 C ATOM 1476 C ILE A 871 27.300 -7.394 19.143 1.00 29.36 C ATOM 1477 O ILE A 871 27.924 -8.201 18.486 1.00 29.88 O ATOM 1478 CB ILE A 871 26.354 -5.324 17.987 1.00 30.17 C ATOM 1479 CG1 ILE A 871 25.190 -4.956 17.059 1.00 31.26 C ATOM 1480 CG2 ILE A 871 27.611 -5.293 17.151 1.00 27.67 C ATOM 1481 CD1 ILE A 871 25.118 -3.467 16.763 1.00 32.70 C ATOM 0 H ILE A 871 24.760 -5.760 19.744 1.00 31.80 H new ATOM 0 HA ILE A 871 25.746 -7.276 17.863 1.00 30.72 H new ATOM 0 HB ILE A 871 26.477 -4.710 18.728 1.00 30.17 H new ATOM 0 HG12 ILE A 871 25.281 -5.443 16.225 1.00 31.26 H new ATOM 0 HG13 ILE A 871 24.356 -5.241 17.465 1.00 31.26 H new ATOM 0 HG21 ILE A 871 27.749 -4.397 16.807 1.00 27.67 H new ATOM 0 HG22 ILE A 871 28.370 -5.549 17.698 1.00 27.67 H new ATOM 0 HG23 ILE A 871 27.523 -5.913 16.410 1.00 27.67 H new ATOM 0 HD11 ILE A 871 24.368 -3.290 16.174 1.00 32.70 H new ATOM 0 HD12 ILE A 871 25.001 -2.977 17.592 1.00 32.70 H new ATOM 0 HD13 ILE A 871 25.940 -3.182 16.333 1.00 32.70 H new ATOM 1482 N PHE A 872 27.638 -7.067 20.366 1.00 25.63 N ATOM 1483 CA PHE A 872 28.805 -7.593 20.982 1.00 29.45 C ATOM 1484 C PHE A 872 28.453 -8.773 21.882 1.00 30.32 C ATOM 1485 O PHE A 872 29.334 -9.245 22.594 1.00 31.77 O ATOM 1486 CB PHE A 872 29.533 -6.513 21.781 1.00 27.24 C ATOM 1487 CG PHE A 872 30.237 -5.564 20.920 1.00 24.69 C ATOM 1488 CD1 PHE A 872 31.522 -5.823 20.523 1.00 28.59 C ATOM 1489 CD2 PHE A 872 29.617 -4.468 20.471 1.00 25.38 C ATOM 1490 CE1 PHE A 872 32.198 -4.964 19.664 1.00 29.58 C ATOM 1491 CE2 PHE A 872 30.282 -3.555 19.635 1.00 28.94 C ATOM 1492 CZ PHE A 872 31.562 -3.809 19.227 1.00 31.56 C ATOM 0 H PHE A 872 27.187 -6.527 20.861 1.00 25.63 H new ATOM 0 HA PHE A 872 29.399 -7.906 20.282 1.00 29.45 H new ATOM 0 HB2 PHE A 872 28.893 -6.034 22.331 1.00 27.24 H new ATOM 0 HB3 PHE A 872 30.167 -6.932 22.383 1.00 27.24 H new ATOM 0 HD1 PHE A 872 31.950 -6.588 20.834 1.00 28.59 H new ATOM 0 HD2 PHE A 872 28.734 -4.308 20.715 1.00 25.38 H new ATOM 0 HE1 PHE A 872 33.064 -5.160 19.386 1.00 29.58 H new ATOM 0 HE2 PHE A 872 29.852 -2.778 19.359 1.00 28.94 H new ATOM 0 HZ PHE A 872 32.002 -3.215 18.663 1.00 31.56 H new ATOM 1493 N ALA A 873 27.204 -9.246 21.825 1.00 27.83 N ATOM 1494 CA ALA A 873 26.817 -10.484 22.485 1.00 28.56 C ATOM 1495 C ALA A 873 27.178 -10.437 23.990 1.00 30.73 C ATOM 1496 O ALA A 873 27.849 -11.349 24.542 1.00 30.81 O ATOM 1497 CB ALA A 873 27.486 -11.665 21.780 1.00 31.41 C ATOM 0 H ALA A 873 26.564 -8.856 21.403 1.00 27.83 H new ATOM 0 HA ALA A 873 25.855 -10.596 22.426 1.00 28.56 H new ATOM 0 HB1 ALA A 873 27.229 -12.491 22.218 1.00 31.41 H new ATOM 0 HB2 ALA A 873 27.204 -11.690 20.852 1.00 31.41 H new ATOM 0 HB3 ALA A 873 28.450 -11.563 21.822 1.00 31.41 H new ATOM 1498 N ILE A 874 26.736 -9.392 24.672 1.00 29.88 N ATOM 1499 CA ILE A 874 27.058 -9.248 26.086 1.00 31.96 C ATOM 1500 C ILE A 874 26.227 -10.294 26.839 1.00 35.72 C ATOM 1501 O ILE A 874 25.104 -10.511 26.462 1.00 30.25 O ATOM 1502 CB ILE A 874 26.718 -7.863 26.613 1.00 33.36 C ATOM 1503 CG1 ILE A 874 27.552 -6.791 25.906 1.00 33.22 C ATOM 1504 CG2 ILE A 874 26.903 -7.758 28.121 1.00 36.44 C ATOM 1505 CD1 ILE A 874 29.032 -6.933 26.064 1.00 37.57 C ATOM 0 H ILE A 874 26.254 -8.761 24.342 1.00 29.88 H new ATOM 0 HA ILE A 874 28.011 -9.374 26.214 1.00 31.96 H new ATOM 0 HB ILE A 874 25.779 -7.713 26.421 1.00 33.36 H new ATOM 0 HG12 ILE A 874 27.339 -6.807 24.960 1.00 33.22 H new ATOM 0 HG13 ILE A 874 27.287 -5.921 26.242 1.00 33.22 H new ATOM 0 HG21 ILE A 874 26.676 -6.861 28.413 1.00 36.44 H new ATOM 0 HG22 ILE A 874 26.324 -8.398 28.564 1.00 36.44 H new ATOM 0 HG23 ILE A 874 27.827 -7.947 28.348 1.00 36.44 H new ATOM 0 HD11 ILE A 874 29.479 -6.216 25.587 1.00 37.57 H new ATOM 0 HD12 ILE A 874 29.263 -6.888 27.005 1.00 37.57 H new ATOM 0 HD13 ILE A 874 29.316 -7.787 25.703 1.00 37.57 H new ATOM 1506 N GLN A 875 26.779 -10.895 27.907 1.00 35.18 N ATOM 1507 CA GLN A 875 26.094 -11.969 28.660 1.00 39.88 C ATOM 1508 C GLN A 875 24.846 -11.371 29.212 1.00 36.53 C ATOM 1509 O GLN A 875 24.895 -10.361 29.853 1.00 36.23 O ATOM 1510 CB GLN A 875 26.999 -12.561 29.807 1.00 42.98 C ATOM 1511 CG GLN A 875 26.392 -13.667 30.722 1.00 43.11 C ATOM 1512 CD GLN A 875 25.708 -14.833 29.976 1.00 41.10 C ATOM 1513 OE1 GLN A 875 26.298 -15.463 29.132 1.00 39.17 O ATOM 1514 NE2 GLN A 875 24.458 -15.095 30.284 1.00 40.91 N ATOM 0 H GLN A 875 27.556 -10.694 28.215 1.00 35.18 H new ATOM 0 HA GLN A 875 25.896 -12.716 28.074 1.00 39.88 H new ATOM 0 HB2 GLN A 875 27.800 -12.922 29.397 1.00 42.98 H new ATOM 0 HB3 GLN A 875 27.278 -11.826 30.375 1.00 42.98 H new ATOM 0 HG2 GLN A 875 27.098 -14.029 31.280 1.00 43.11 H new ATOM 0 HG3 GLN A 875 25.744 -13.256 31.315 1.00 43.11 H new ATOM 0 HE21 GLN A 875 24.058 -14.633 30.889 1.00 40.91 H new ATOM 0 HE22 GLN A 875 24.040 -15.729 29.881 1.00 40.91 H new ATOM 1515 N GLU A 876 23.710 -11.970 28.922 1.00 37.49 N ATOM 1516 CA GLU A 876 22.463 -11.520 29.547 1.00 47.32 C ATOM 1517 C GLU A 876 22.487 -11.643 31.076 1.00 50.60 C ATOM 1518 O GLU A 876 22.981 -12.666 31.607 1.00 44.54 O ATOM 1519 CB GLU A 876 21.285 -12.287 28.960 1.00 50.63 C ATOM 1520 CG GLU A 876 20.923 -11.807 27.536 1.00 56.03 C ATOM 1521 CD GLU A 876 19.991 -10.593 27.509 1.00 56.65 C ATOM 1522 OE1 GLU A 876 19.066 -10.528 28.348 1.00 59.56 O ATOM 1523 OE2 GLU A 876 20.180 -9.702 26.657 1.00 62.57 O ATOM 0 H GLU A 876 23.628 -12.629 28.376 1.00 37.49 H new ATOM 0 HA GLU A 876 22.364 -10.575 29.351 1.00 47.32 H new ATOM 0 HB2 GLU A 876 21.498 -13.233 28.936 1.00 50.63 H new ATOM 0 HB3 GLU A 876 20.514 -12.184 29.539 1.00 50.63 H new ATOM 0 HG2 GLU A 876 21.740 -11.587 27.061 1.00 56.03 H new ATOM 0 HG3 GLU A 876 20.503 -12.537 27.055 1.00 56.03 H new ATOM 1524 N THR A 877 22.008 -10.596 31.774 1.00 56.78 N ATOM 1525 CA THR A 877 21.809 -10.641 33.276 1.00 66.83 C ATOM 1526 C THR A 877 20.425 -10.115 33.701 1.00 74.00 C ATOM 1527 O THR A 877 19.771 -9.383 32.947 1.00 76.86 O ATOM 1528 CB THR A 877 22.887 -9.826 34.066 1.00 62.32 C ATOM 1529 OG1 THR A 877 22.873 -8.463 33.637 1.00 63.76 O ATOM 1530 CG2 THR A 877 24.284 -10.377 33.854 1.00 63.32 C ATOM 0 H THR A 877 21.788 -9.846 31.414 1.00 56.78 H new ATOM 0 HA THR A 877 21.892 -11.582 33.498 1.00 66.83 H new ATOM 0 HB THR A 877 22.665 -9.896 35.008 1.00 62.32 H new ATOM 0 HG1 THR A 877 23.451 -8.029 34.064 1.00 63.76 H new ATOM 0 HG21 THR A 877 24.921 -9.847 34.358 1.00 63.32 H new ATOM 0 HG22 THR A 877 24.318 -11.298 34.157 1.00 63.32 H new ATOM 0 HG23 THR A 877 24.507 -10.339 32.911 1.00 63.32 H new ATOM 1531 N SER A 878 19.991 -10.475 34.911 1.00 90.32 N ATOM 1532 CA SER A 878 18.822 -9.821 35.551 1.00 91.58 C ATOM 1533 C SER A 878 19.218 -8.437 36.034 1.00 83.18 C ATOM 1534 O SER A 878 18.441 -7.784 36.728 1.00 98.79 O ATOM 1535 CB SER A 878 18.282 -10.647 36.731 1.00 89.86 C ATOM 1536 OG SER A 878 19.318 -10.957 37.649 1.00 91.23 O ATOM 0 H SER A 878 20.353 -11.094 35.385 1.00 90.32 H new ATOM 0 HA SER A 878 18.116 -9.754 34.889 1.00 91.58 H new ATOM 0 HB2 SER A 878 17.581 -10.152 37.184 1.00 89.86 H new ATOM 0 HB3 SER A 878 17.882 -11.466 36.401 1.00 89.86 H new ATOM 0 HG SER A 878 19.004 -11.406 38.285 1.00 91.23 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.632 40.831 40.668 1.00 74.40 N ATOM 1539 CA GLU B 700 -5.545 40.802 39.630 1.00 73.75 C ATOM 1540 C GLU B 700 -5.512 39.604 38.621 1.00 75.50 C ATOM 1541 O GLU B 700 -4.820 39.725 37.615 1.00 82.33 O ATOM 1542 CB GLU B 700 -4.173 40.959 40.303 1.00 66.25 C ATOM 0 HA GLU B 700 -5.769 41.556 39.062 1.00 73.75 H new ATOM 1543 N ASN B 701 -6.194 38.474 38.883 1.00 66.44 N ATOM 1544 CA ASN B 701 -6.354 37.395 37.879 1.00 69.52 C ATOM 1545 C ASN B 701 -7.807 37.103 37.447 1.00 71.88 C ATOM 1546 O ASN B 701 -8.718 37.209 38.255 1.00 88.87 O ATOM 1547 CB ASN B 701 -5.712 36.098 38.380 1.00 71.97 C ATOM 1548 CG ASN B 701 -4.192 36.145 38.312 1.00 77.18 C ATOM 1549 OD1 ASN B 701 -3.566 35.755 37.291 1.00 60.44 O ATOM 1550 ND2 ASN B 701 -3.583 36.637 39.391 1.00 76.02 N ATOM 0 H ASN B 701 -6.573 38.311 39.637 1.00 66.44 H new ATOM 0 HA ASN B 701 -5.902 37.731 37.089 1.00 69.52 H new ATOM 0 HB2 ASN B 701 -5.988 35.935 39.295 1.00 71.97 H new ATOM 0 HB3 ASN B 701 -6.035 35.353 37.849 1.00 71.97 H new ATOM 0 HD21 ASN B 701 -2.725 36.699 39.410 1.00 76.02 H new ATOM 0 HD22 ASN B 701 -4.048 36.893 40.068 1.00 76.02 H new ATOM 1551 N SER B 702 -8.006 36.705 36.186 1.00 57.50 N ATOM 1552 CA SER B 702 -9.288 36.216 35.701 1.00 48.77 C ATOM 1553 C SER B 702 -9.841 35.126 36.589 1.00 44.60 C ATOM 1554 O SER B 702 -9.096 34.328 37.132 1.00 41.39 O ATOM 1555 CB SER B 702 -9.175 35.636 34.271 1.00 48.00 C ATOM 1556 OG SER B 702 -10.457 35.270 33.724 1.00 47.47 O ATOM 0 H SER B 702 -7.390 36.714 35.586 1.00 57.50 H new ATOM 0 HA SER B 702 -9.881 36.983 35.704 1.00 48.77 H new ATOM 0 HB2 SER B 702 -8.754 36.290 33.692 1.00 48.00 H new ATOM 0 HB3 SER B 702 -8.598 34.857 34.285 1.00 48.00 H new ATOM 0 HG SER B 702 -10.354 34.962 32.949 1.00 47.47 H new ATOM 1557 N ASN B 703 -11.170 35.090 36.698 1.00 44.66 N ATOM 1558 CA ASN B 703 -11.918 33.959 37.339 1.00 47.12 C ATOM 1559 C ASN B 703 -12.488 32.945 36.359 1.00 41.96 C ATOM 1560 O ASN B 703 -13.304 32.095 36.736 1.00 40.66 O ATOM 1561 CB ASN B 703 -13.080 34.518 38.160 1.00 58.06 C ATOM 1562 CG ASN B 703 -14.110 35.229 37.295 1.00 67.92 C ATOM 1563 OD1 ASN B 703 -13.779 36.115 36.477 1.00 70.47 O ATOM 1564 ND2 ASN B 703 -15.370 34.869 37.492 1.00 83.86 N ATOM 0 H ASN B 703 -11.681 35.717 36.405 1.00 44.66 H new ATOM 0 HA ASN B 703 -11.266 33.495 37.887 1.00 47.12 H new ATOM 0 HB2 ASN B 703 -13.510 33.794 38.642 1.00 58.06 H new ATOM 0 HB3 ASN B 703 -12.736 35.136 38.824 1.00 58.06 H new ATOM 0 HD21 ASN B 703 -16.000 35.250 37.048 1.00 83.86 H new ATOM 0 HD22 ASN B 703 -15.557 34.255 38.064 1.00 83.86 H new ATOM 1565 N ILE B 704 -12.109 33.037 35.078 1.00 43.50 N ATOM 1566 CA ILE B 704 -12.435 31.944 34.118 1.00 45.76 C ATOM 1567 C ILE B 704 -11.142 31.460 33.425 1.00 37.05 C ATOM 1568 O ILE B 704 -10.257 32.261 33.152 1.00 36.22 O ATOM 1569 CB ILE B 704 -13.477 32.344 33.033 1.00 42.11 C ATOM 1570 CG1 ILE B 704 -13.087 33.655 32.366 1.00 41.51 C ATOM 1571 CG2 ILE B 704 -14.899 32.376 33.591 1.00 48.97 C ATOM 1572 CD1 ILE B 704 -14.025 34.026 31.261 1.00 44.81 C ATOM 0 H ILE B 704 -11.675 33.699 34.743 1.00 43.50 H new ATOM 0 HA ILE B 704 -12.839 31.236 34.643 1.00 45.76 H new ATOM 0 HB ILE B 704 -13.472 31.657 32.348 1.00 42.11 H new ATOM 0 HG12 ILE B 704 -13.075 34.363 33.029 1.00 41.51 H new ATOM 0 HG13 ILE B 704 -12.187 33.581 32.013 1.00 41.51 H new ATOM 0 HG21 ILE B 704 -15.517 32.628 32.887 1.00 48.97 H new ATOM 0 HG22 ILE B 704 -15.134 31.497 33.928 1.00 48.97 H new ATOM 0 HG23 ILE B 704 -14.949 33.023 34.312 1.00 48.97 H new ATOM 0 HD11 ILE B 704 -13.742 34.864 30.864 1.00 44.81 H new ATOM 0 HD12 ILE B 704 -14.020 33.330 30.585 1.00 44.81 H new ATOM 0 HD13 ILE B 704 -14.922 34.124 31.617 1.00 44.81 H new ATOM 1573 N CYS B 705 -11.085 30.150 33.180 1.00 35.15 N ATOM 1574 CA CYS B 705 -10.060 29.543 32.297 1.00 33.80 C ATOM 1575 C CYS B 705 -9.945 30.257 30.973 1.00 33.52 C ATOM 1576 O CYS B 705 -10.918 30.360 30.250 1.00 37.57 O ATOM 1577 CB CYS B 705 -10.368 28.108 32.055 1.00 34.95 C ATOM 1578 SG CYS B 705 -9.145 27.178 31.032 1.00 29.06 S ATOM 0 H CYS B 705 -11.635 29.581 33.517 1.00 35.15 H new ATOM 0 HA CYS B 705 -9.210 29.628 32.757 1.00 33.80 H new ATOM 0 HB2 CYS B 705 -10.449 27.664 32.914 1.00 34.95 H new ATOM 0 HB3 CYS B 705 -11.235 28.050 31.623 1.00 34.95 H new ATOM 1579 N GLU B 706 -8.744 30.716 30.650 1.00 32.60 N ATOM 1580 CA GLU B 706 -8.411 31.353 29.358 1.00 33.44 C ATOM 1581 C GLU B 706 -8.759 30.534 28.132 1.00 28.48 C ATOM 1582 O GLU B 706 -9.078 31.100 27.117 1.00 31.97 O ATOM 1583 CB GLU B 706 -6.906 31.640 29.307 1.00 35.23 C ATOM 1584 CG GLU B 706 -6.405 32.536 28.179 1.00 35.90 C ATOM 1585 CD GLU B 706 -6.675 34.001 28.402 1.00 40.66 C ATOM 1586 OE1 GLU B 706 -7.307 34.345 29.453 1.00 41.82 O ATOM 1587 OE2 GLU B 706 -6.229 34.779 27.520 1.00 40.41 O ATOM 0 H GLU B 706 -8.073 30.669 31.185 1.00 32.60 H new ATOM 0 HA GLU B 706 -8.952 32.158 29.326 1.00 33.44 H new ATOM 0 HB2 GLU B 706 -6.649 32.045 30.150 1.00 35.23 H new ATOM 0 HB3 GLU B 706 -6.440 30.791 29.246 1.00 35.23 H new ATOM 0 HG2 GLU B 706 -5.450 32.404 28.072 1.00 35.90 H new ATOM 0 HG3 GLU B 706 -6.824 32.261 27.348 1.00 35.90 H new ATOM 1588 N VAL B 707 -8.717 29.223 28.231 1.00 27.99 N ATOM 1589 CA VAL B 707 -8.861 28.371 27.085 1.00 30.35 C ATOM 1590 C VAL B 707 -10.336 28.039 26.857 1.00 33.32 C ATOM 1591 O VAL B 707 -10.844 28.250 25.735 1.00 32.73 O ATOM 1592 CB VAL B 707 -8.083 27.027 27.265 1.00 30.04 C ATOM 1593 CG1 VAL B 707 -8.216 26.119 26.066 1.00 29.79 C ATOM 1594 CG2 VAL B 707 -6.634 27.327 27.459 1.00 29.49 C ATOM 0 H VAL B 707 -8.603 28.802 28.972 1.00 27.99 H new ATOM 0 HA VAL B 707 -8.497 28.851 26.325 1.00 30.35 H new ATOM 0 HB VAL B 707 -8.463 26.574 28.034 1.00 30.04 H new ATOM 0 HG11 VAL B 707 -7.719 25.301 26.223 1.00 29.79 H new ATOM 0 HG12 VAL B 707 -9.152 25.906 25.923 1.00 29.79 H new ATOM 0 HG13 VAL B 707 -7.863 26.566 25.281 1.00 29.79 H new ATOM 0 HG21 VAL B 707 -6.144 26.498 27.572 1.00 29.49 H new ATOM 0 HG22 VAL B 707 -6.295 27.800 26.683 1.00 29.49 H new ATOM 0 HG23 VAL B 707 -6.520 27.879 28.249 1.00 29.49 H new ATOM 1595 N CYS B 708 -10.987 27.488 27.888 1.00 29.39 N ATOM 1596 CA CYS B 708 -12.355 26.993 27.755 1.00 30.70 C ATOM 1597 C CYS B 708 -13.396 27.937 28.316 1.00 31.84 C ATOM 1598 O CYS B 708 -14.549 27.616 28.239 1.00 34.73 O ATOM 1599 CB CYS B 708 -12.565 25.647 28.427 1.00 27.97 C ATOM 1600 SG CYS B 708 -12.576 25.658 30.236 1.00 32.01 S ATOM 0 H CYS B 708 -10.650 27.393 28.673 1.00 29.39 H new ATOM 0 HA CYS B 708 -12.472 26.912 26.796 1.00 30.70 H new ATOM 0 HB2 CYS B 708 -13.408 25.279 28.118 1.00 27.97 H new ATOM 0 HB3 CYS B 708 -11.866 25.044 28.129 1.00 27.97 H new ATOM 1601 N ASN B 709 -12.988 29.055 28.898 1.00 36.51 N ATOM 1602 CA ASN B 709 -13.920 30.033 29.478 1.00 40.93 C ATOM 1603 C ASN B 709 -14.846 29.545 30.605 1.00 40.73 C ATOM 1604 O ASN B 709 -15.816 30.226 30.886 1.00 45.27 O ATOM 1605 CB ASN B 709 -14.746 30.671 28.358 1.00 38.46 C ATOM 1606 CG ASN B 709 -13.873 31.182 27.260 1.00 46.93 C ATOM 1607 OD1 ASN B 709 -13.793 30.563 26.190 1.00 51.73 O ATOM 1608 ND2 ASN B 709 -13.109 32.236 27.547 1.00 44.18 N ATOM 0 H ASN B 709 -12.160 29.276 28.972 1.00 36.51 H new ATOM 0 HA ASN B 709 -13.345 30.674 29.924 1.00 40.93 H new ATOM 0 HB2 ASN B 709 -15.369 30.018 28.001 1.00 38.46 H new ATOM 0 HB3 ASN B 709 -15.275 31.400 28.719 1.00 38.46 H new ATOM 0 HD21 ASN B 709 -12.528 32.514 26.977 1.00 44.18 H new ATOM 0 HD22 ASN B 709 -13.197 32.638 28.302 1.00 44.18 H new ATOM 1609 N LYS B 710 -14.573 28.395 31.207 1.00 35.04 N ATOM 1610 CA LYS B 710 -15.319 27.909 32.361 1.00 36.97 C ATOM 1611 C LYS B 710 -14.590 28.208 33.728 1.00 44.86 C ATOM 1612 O LYS B 710 -13.379 28.444 33.824 1.00 43.49 O ATOM 1613 CB LYS B 710 -15.505 26.413 32.260 1.00 40.47 C ATOM 1614 CG LYS B 710 -16.208 25.914 31.016 1.00 52.12 C ATOM 1615 CD LYS B 710 -17.529 26.606 30.775 1.00 60.65 C ATOM 1616 CE LYS B 710 -18.113 26.251 29.414 1.00 71.29 C ATOM 1617 NZ LYS B 710 -19.585 26.519 29.337 1.00 72.80 N ATOM 0 H LYS B 710 -13.942 27.868 30.954 1.00 35.04 H new ATOM 0 HA LYS B 710 -16.169 28.376 32.353 1.00 36.97 H new ATOM 0 HB2 LYS B 710 -14.632 25.993 32.307 1.00 40.47 H new ATOM 0 HB3 LYS B 710 -16.006 26.114 33.035 1.00 40.47 H new ATOM 0 HG2 LYS B 710 -15.632 26.049 30.247 1.00 52.12 H new ATOM 0 HG3 LYS B 710 -16.357 24.959 31.095 1.00 52.12 H new ATOM 0 HD2 LYS B 710 -18.157 26.357 31.471 1.00 60.65 H new ATOM 0 HD3 LYS B 710 -17.407 27.566 30.834 1.00 60.65 H new ATOM 0 HE2 LYS B 710 -17.657 26.761 28.726 1.00 71.29 H new ATOM 0 HE3 LYS B 710 -17.947 25.313 29.228 1.00 71.29 H new ATOM 0 HZ1 LYS B 710 -19.885 26.299 28.529 1.00 72.80 H new ATOM 0 HZ2 LYS B 710 -20.008 26.034 29.952 1.00 72.80 H new ATOM 0 HZ3 LYS B 710 -19.738 27.383 29.484 1.00 72.80 H new ATOM 1618 N TRP B 711 -15.356 28.147 34.798 1.00 47.30 N ATOM 1619 CA TRP B 711 -14.932 28.580 36.114 1.00 43.90 C ATOM 1620 C TRP B 711 -14.451 27.334 36.829 1.00 37.29 C ATOM 1621 O TRP B 711 -14.592 26.209 36.341 1.00 35.44 O ATOM 1622 CB TRP B 711 -16.132 29.234 36.882 1.00 58.70 C ATOM 1623 CG TRP B 711 -16.891 28.212 37.728 1.00 65.57 C ATOM 1624 CD1 TRP B 711 -17.583 27.103 37.260 1.00 73.36 C ATOM 1625 CD2 TRP B 711 -16.961 28.149 39.173 1.00 70.16 C ATOM 1626 NE1 TRP B 711 -18.078 26.370 38.322 1.00 85.39 N ATOM 1627 CE2 TRP B 711 -17.720 26.977 39.503 1.00 80.72 C ATOM 1628 CE3 TRP B 711 -16.479 28.973 40.220 1.00 70.20 C ATOM 1629 CZ2 TRP B 711 -18.009 26.603 40.846 1.00 75.53 C ATOM 1630 CZ3 TRP B 711 -16.770 28.603 41.553 1.00 69.08 C ATOM 1631 CH2 TRP B 711 -17.534 27.421 41.847 1.00 69.93 C ATOM 0 H TRP B 711 -16.161 27.844 34.780 1.00 47.30 H new ATOM 0 HA TRP B 711 -14.230 29.247 36.063 1.00 43.90 H new ATOM 0 HB2 TRP B 711 -15.801 29.945 37.453 1.00 58.70 H new ATOM 0 HB3 TRP B 711 -16.740 29.642 36.245 1.00 58.70 H new ATOM 0 HD1 TRP B 711 -17.697 26.885 36.363 1.00 73.36 H new ATOM 0 HE1 TRP B 711 -18.538 25.647 38.255 1.00 85.39 H new ATOM 0 HE3 TRP B 711 -15.984 29.738 40.035 1.00 70.20 H new ATOM 0 HZ2 TRP B 711 -18.499 25.837 41.040 1.00 75.53 H new ATOM 0 HZ3 TRP B 711 -16.462 29.133 42.252 1.00 69.08 H new ATOM 0 HH2 TRP B 711 -17.712 27.204 42.734 1.00 69.93 H new ATOM 1632 N GLY B 712 -13.883 27.525 38.019 1.00 38.28 N ATOM 1633 CA GLY B 712 -13.559 26.397 38.897 1.00 41.72 C ATOM 1634 C GLY B 712 -12.214 25.737 38.680 1.00 45.98 C ATOM 1635 O GLY B 712 -11.802 25.529 37.557 1.00 43.47 O ATOM 0 H GLY B 712 -13.677 28.297 38.337 1.00 38.28 H new ATOM 0 HA2 GLY B 712 -13.601 26.705 39.816 1.00 41.72 H new ATOM 0 HA3 GLY B 712 -14.248 25.723 38.792 1.00 41.72 H new ATOM 1636 N ARG B 713 -11.533 25.426 39.787 1.00 46.90 N ATOM 1637 CA ARG B 713 -10.341 24.600 39.783 1.00 42.95 C ATOM 1638 C ARG B 713 -9.188 25.299 39.023 1.00 34.83 C ATOM 1639 O ARG B 713 -8.518 24.680 38.270 1.00 36.05 O ATOM 1640 CB ARG B 713 -10.700 23.239 39.179 1.00 45.80 C ATOM 1641 CG ARG B 713 -9.889 22.084 39.758 1.00 58.82 C ATOM 1642 CD ARG B 713 -10.324 20.684 39.307 1.00 64.52 C ATOM 1643 NE ARG B 713 -11.494 20.126 40.013 1.00 72.23 N ATOM 1644 CZ ARG B 713 -12.769 20.157 39.597 1.00 81.00 C ATOM 1645 NH1 ARG B 713 -13.709 19.597 40.362 1.00 80.80 N ATOM 1646 NH2 ARG B 713 -13.138 20.745 38.441 1.00 90.13 N ATOM 0 H ARG B 713 -11.761 25.698 40.570 1.00 46.90 H new ATOM 0 HA ARG B 713 -10.021 24.464 40.689 1.00 42.95 H new ATOM 0 HB2 ARG B 713 -11.644 23.067 39.324 1.00 45.80 H new ATOM 0 HB3 ARG B 713 -10.562 23.272 38.219 1.00 45.80 H new ATOM 0 HG2 ARG B 713 -8.958 22.210 39.517 1.00 58.82 H new ATOM 0 HG3 ARG B 713 -9.940 22.126 40.726 1.00 58.82 H new ATOM 0 HD2 ARG B 713 -10.522 20.714 38.358 1.00 64.52 H new ATOM 0 HD3 ARG B 713 -9.576 20.077 39.422 1.00 64.52 H new ATOM 0 HE ARG B 713 -11.343 19.742 40.768 1.00 72.23 H new ATOM 0 HH11 ARG B 713 -13.492 19.225 41.107 1.00 80.80 H new ATOM 0 HH12 ARG B 713 -14.531 19.608 40.110 1.00 80.80 H new ATOM 0 HH21 ARG B 713 -12.547 21.118 37.941 1.00 90.13 H new ATOM 0 HH22 ARG B 713 -13.965 20.747 38.204 1.00 90.13 H new ATOM 1647 N LEU B 714 -9.035 26.591 39.197 1.00 29.71 N ATOM 1648 CA LEU B 714 -8.167 27.399 38.406 1.00 32.68 C ATOM 1649 C LEU B 714 -6.785 27.694 39.021 1.00 40.90 C ATOM 1650 O LEU B 714 -6.619 27.868 40.262 1.00 34.93 O ATOM 1651 CB LEU B 714 -8.846 28.708 38.118 1.00 36.14 C ATOM 1652 CG LEU B 714 -10.088 28.648 37.222 1.00 38.01 C ATOM 1653 CD1 LEU B 714 -10.695 30.044 37.233 1.00 38.24 C ATOM 1654 CD2 LEU B 714 -9.758 28.236 35.771 1.00 36.51 C ATOM 0 H LEU B 714 -9.453 27.033 39.805 1.00 29.71 H new ATOM 0 HA LEU B 714 -7.995 26.879 37.606 1.00 32.68 H new ATOM 0 HB2 LEU B 714 -9.100 29.111 38.963 1.00 36.14 H new ATOM 0 HB3 LEU B 714 -8.200 29.301 37.703 1.00 36.14 H new ATOM 0 HG LEU B 714 -10.698 27.975 37.562 1.00 38.01 H new ATOM 0 HD11 LEU B 714 -11.489 30.056 36.676 1.00 38.24 H new ATOM 0 HD12 LEU B 714 -10.934 30.286 38.141 1.00 38.24 H new ATOM 0 HD13 LEU B 714 -10.049 30.681 36.889 1.00 38.24 H new ATOM 0 HD21 LEU B 714 -10.574 28.213 35.247 1.00 36.51 H new ATOM 0 HD22 LEU B 714 -9.144 28.879 35.384 1.00 36.51 H new ATOM 0 HD23 LEU B 714 -9.348 27.357 35.769 1.00 36.51 H new ATOM 1655 N PHE B 715 -5.793 27.763 38.131 1.00 39.09 N ATOM 1656 CA PHE B 715 -4.432 28.096 38.515 1.00 35.12 C ATOM 1657 C PHE B 715 -4.150 29.407 37.898 1.00 35.94 C ATOM 1658 O PHE B 715 -4.356 29.541 36.676 1.00 35.94 O ATOM 1659 CB PHE B 715 -3.489 27.093 37.973 1.00 34.18 C ATOM 1660 CG PHE B 715 -3.585 25.739 38.598 1.00 33.07 C ATOM 1661 CD1 PHE B 715 -4.485 24.812 38.132 1.00 36.50 C ATOM 1662 CD2 PHE B 715 -2.701 25.368 39.598 1.00 36.65 C ATOM 1663 CE1 PHE B 715 -4.526 23.527 38.656 1.00 39.77 C ATOM 1664 CE2 PHE B 715 -2.703 24.098 40.130 1.00 34.03 C ATOM 1665 CZ PHE B 715 -3.617 23.169 39.676 1.00 40.90 C ATOM 0 H PHE B 715 -5.896 27.617 37.290 1.00 39.09 H new ATOM 0 HA PHE B 715 -4.332 28.113 39.480 1.00 35.12 H new ATOM 0 HB2 PHE B 715 -3.642 27.006 37.019 1.00 34.18 H new ATOM 0 HB3 PHE B 715 -2.584 27.424 38.086 1.00 34.18 H new ATOM 0 HD1 PHE B 715 -5.076 25.049 37.455 1.00 36.50 H new ATOM 0 HD2 PHE B 715 -2.091 25.993 39.918 1.00 36.65 H new ATOM 0 HE1 PHE B 715 -5.145 22.909 38.339 1.00 39.77 H new ATOM 0 HE2 PHE B 715 -2.092 23.867 40.792 1.00 34.03 H new ATOM 0 HZ PHE B 715 -3.634 22.313 40.039 1.00 40.90 H new ATOM 1666 N CYS B 716 -3.681 30.362 38.720 1.00 36.97 N ATOM 1667 CA ACYS B 716 -3.420 31.707 38.217 0.64 40.60 C ATOM 1668 CA BCYS B 716 -3.375 31.743 38.327 0.36 42.76 C ATOM 1669 C CYS B 716 -1.951 31.870 37.831 1.00 38.94 C ATOM 1670 O CYS B 716 -1.054 31.314 38.439 1.00 43.61 O ATOM 1671 CB ACYS B 716 -3.857 32.786 39.230 0.64 47.93 C ATOM 1672 CB BCYS B 716 -3.505 32.690 39.550 0.36 50.52 C ATOM 1673 SG ACYS B 716 -5.585 32.648 39.761 0.64 52.93 S ATOM 1674 SG BCYS B 716 -2.110 32.665 40.752 0.36 62.10 S ATOM 0 H ACYS B 716 -3.513 30.247 39.556 0.64 36.97 H new ATOM 0 H BCYS B 716 -3.528 30.213 39.553 0.36 36.97 H new ATOM 0 HA ACYS B 716 -3.954 31.831 37.417 0.64 42.76 H new ATOM 0 HA BCYS B 716 -4.001 31.981 37.625 0.36 42.76 H new ATOM 0 HB2ACYS B 716 -3.284 32.734 40.011 0.64 50.52 H new ATOM 0 HB2BCYS B 716 -3.609 33.597 39.223 0.36 50.52 H new ATOM 0 HB3ACYS B 716 -3.719 33.661 38.835 0.64 50.52 H new ATOM 0 HB3BCYS B 716 -4.320 32.464 40.025 0.36 50.52 H new ATOM 0 HG ACYS B 716 -6.307 32.753 38.808 0.64 62.10 H new ATOM 0 HG BCYS B 716 -1.174 32.090 40.268 0.36 62.10 H new ATOM 1675 N CYS B 717 -1.729 32.628 36.774 1.00 41.03 N ATOM 1676 CA CYS B 717 -0.371 32.962 36.377 1.00 43.55 C ATOM 1677 C CYS B 717 0.156 34.093 37.336 1.00 50.59 C ATOM 1678 O CYS B 717 -0.569 35.080 37.646 1.00 49.82 O ATOM 1679 CB CYS B 717 -0.341 33.352 34.894 1.00 38.34 C ATOM 1680 SG CYS B 717 1.243 33.938 34.198 1.00 36.04 S ATOM 0 H CYS B 717 -2.345 32.959 36.273 1.00 41.03 H new ATOM 0 HA CYS B 717 0.223 32.200 36.464 1.00 43.55 H new ATOM 0 HB2 CYS B 717 -0.626 32.582 34.378 1.00 38.34 H new ATOM 0 HB3 CYS B 717 -1.003 34.048 34.755 1.00 38.34 H new ATOM 1681 N ASP B 718 1.407 33.966 37.776 1.00 48.59 N ATOM 1682 CA ASP B 718 2.022 35.002 38.596 1.00 52.46 C ATOM 1683 C ASP B 718 2.513 36.199 37.826 1.00 49.26 C ATOM 1684 O ASP B 718 2.796 37.198 38.446 1.00 58.08 O ATOM 1685 CB ASP B 718 3.103 34.403 39.490 1.00 56.77 C ATOM 1686 CG ASP B 718 2.523 33.367 40.442 1.00 67.65 C ATOM 1687 OD1 ASP B 718 1.522 33.712 41.104 1.00 79.84 O ATOM 1688 OD2 ASP B 718 3.012 32.215 40.510 1.00 60.62 O ATOM 0 H ASP B 718 1.913 33.290 37.611 1.00 48.59 H new ATOM 0 HA ASP B 718 1.316 35.357 39.158 1.00 52.46 H new ATOM 0 HB2 ASP B 718 3.789 33.992 38.941 1.00 56.77 H new ATOM 0 HB3 ASP B 718 3.532 35.108 39.999 1.00 56.77 H new ATOM 1689 N THR B 719 2.586 36.161 36.497 1.00 48.84 N ATOM 1690 CA THR B 719 3.114 37.317 35.756 1.00 41.38 C ATOM 1691 C THR B 719 2.142 37.972 34.837 1.00 39.19 C ATOM 1692 O THR B 719 2.499 38.929 34.136 1.00 43.06 O ATOM 1693 CB THR B 719 4.435 36.956 35.040 1.00 47.23 C ATOM 1694 OG1 THR B 719 4.295 35.736 34.307 1.00 43.52 O ATOM 1695 CG2 THR B 719 5.557 36.754 36.099 1.00 45.94 C ATOM 0 H THR B 719 2.343 35.495 36.011 1.00 48.84 H new ATOM 0 HA THR B 719 3.297 37.992 36.428 1.00 41.38 H new ATOM 0 HB THR B 719 4.658 37.678 34.432 1.00 47.23 H new ATOM 0 HG1 THR B 719 3.877 35.884 33.594 1.00 43.52 H new ATOM 0 HG21 THR B 719 6.387 36.527 35.652 1.00 45.94 H new ATOM 0 HG22 THR B 719 5.676 37.573 36.605 1.00 45.94 H new ATOM 0 HG23 THR B 719 5.308 36.036 36.701 1.00 45.94 H new ATOM 1696 N CYS B 720 0.908 37.458 34.800 1.00 44.17 N ATOM 1697 CA CYS B 720 -0.148 38.061 34.001 1.00 39.60 C ATOM 1698 C CYS B 720 -1.513 37.744 34.632 1.00 41.17 C ATOM 1699 O CYS B 720 -1.578 36.914 35.539 1.00 39.06 O ATOM 1700 CB CYS B 720 -0.044 37.583 32.554 1.00 41.30 C ATOM 1701 SG CYS B 720 -0.932 36.045 32.072 1.00 38.66 S ATOM 0 H CYS B 720 0.667 36.756 35.235 1.00 44.17 H new ATOM 0 HA CYS B 720 -0.050 39.026 33.988 1.00 39.60 H new ATOM 0 HB2 CYS B 720 -0.363 38.299 31.983 1.00 41.30 H new ATOM 0 HB3 CYS B 720 0.896 37.457 32.352 1.00 41.30 H new ATOM 1702 N PRO B 721 -2.604 38.390 34.158 1.00 42.67 N ATOM 1703 CA PRO B 721 -3.932 38.122 34.751 1.00 48.30 C ATOM 1704 C PRO B 721 -4.607 36.805 34.355 1.00 46.85 C ATOM 1705 O PRO B 721 -5.683 36.519 34.847 1.00 41.83 O ATOM 1706 CB PRO B 721 -4.806 39.273 34.231 1.00 51.70 C ATOM 1707 CG PRO B 721 -4.074 39.888 33.080 1.00 52.84 C ATOM 1708 CD PRO B 721 -2.672 39.346 33.035 1.00 49.86 C ATOM 0 HA PRO B 721 -3.824 38.054 35.713 1.00 48.30 H new ATOM 0 HB2 PRO B 721 -5.675 38.945 33.950 1.00 51.70 H new ATOM 0 HB3 PRO B 721 -4.962 39.928 34.929 1.00 51.70 H new ATOM 0 HG2 PRO B 721 -4.534 39.692 32.249 1.00 52.84 H new ATOM 0 HG3 PRO B 721 -4.056 40.853 33.174 1.00 52.84 H new ATOM 0 HD2 PRO B 721 -2.490 38.909 32.188 1.00 49.86 H new ATOM 0 HD3 PRO B 721 -2.017 40.054 33.135 1.00 49.86 H new ATOM 1709 N ARG B 722 -4.008 35.998 33.480 1.00 42.98 N ATOM 1710 CA ARG B 722 -4.696 34.788 32.994 1.00 37.11 C ATOM 1711 C ARG B 722 -4.789 33.658 34.045 1.00 32.89 C ATOM 1712 O ARG B 722 -3.957 33.499 34.959 1.00 38.21 O ATOM 1713 CB ARG B 722 -4.041 34.305 31.711 1.00 37.96 C ATOM 1714 CG ARG B 722 -4.069 35.307 30.607 1.00 36.02 C ATOM 1715 CD ARG B 722 -3.383 34.693 29.424 1.00 35.17 C ATOM 1716 NE ARG B 722 -3.386 35.530 28.260 1.00 32.65 N ATOM 1717 CZ ARG B 722 -2.487 36.465 27.995 1.00 34.67 C ATOM 1718 NH1 ARG B 722 -1.502 36.750 28.833 1.00 38.49 N ATOM 1719 NH2 ARG B 722 -2.574 37.128 26.855 1.00 36.47 N ATOM 0 H ARG B 722 -3.221 36.124 33.158 1.00 42.98 H new ATOM 0 HA ARG B 722 -5.615 35.038 32.813 1.00 37.11 H new ATOM 0 HB2 ARG B 722 -3.119 34.068 31.898 1.00 37.96 H new ATOM 0 HB3 ARG B 722 -4.487 33.497 31.414 1.00 37.96 H new ATOM 0 HG2 ARG B 722 -4.983 35.545 30.386 1.00 36.02 H new ATOM 0 HG3 ARG B 722 -3.620 36.124 30.876 1.00 36.02 H new ATOM 0 HD2 ARG B 722 -2.466 34.487 29.663 1.00 35.17 H new ATOM 0 HD3 ARG B 722 -3.816 33.852 29.209 1.00 35.17 H new ATOM 0 HE ARG B 722 -4.020 35.416 27.690 1.00 32.65 H new ATOM 0 HH11 ARG B 722 -1.432 36.322 29.576 1.00 38.49 H new ATOM 0 HH12 ARG B 722 -0.932 37.363 28.634 1.00 38.49 H new ATOM 0 HH21 ARG B 722 -3.207 36.949 26.301 1.00 36.47 H new ATOM 0 HH22 ARG B 722 -1.998 37.738 26.668 1.00 36.47 H new ATOM 1720 N SER B 723 -5.837 32.880 33.921 1.00 32.37 N ATOM 1721 CA SER B 723 -6.086 31.724 34.754 1.00 32.48 C ATOM 1722 C SER B 723 -6.333 30.486 33.860 1.00 31.48 C ATOM 1723 O SER B 723 -6.730 30.628 32.726 1.00 33.55 O ATOM 1724 CB SER B 723 -7.288 31.988 35.698 1.00 35.23 C ATOM 1725 OG SER B 723 -6.987 33.017 36.673 1.00 40.23 O ATOM 0 H SER B 723 -6.447 33.012 33.330 1.00 32.37 H new ATOM 0 HA SER B 723 -5.309 31.552 35.309 1.00 32.48 H new ATOM 0 HB2 SER B 723 -8.059 32.254 35.174 1.00 35.23 H new ATOM 0 HB3 SER B 723 -7.526 31.167 36.156 1.00 35.23 H new ATOM 0 HG SER B 723 -7.487 33.679 36.545 1.00 40.23 H new ATOM 1726 N PHE B 724 -6.058 29.281 34.370 1.00 31.47 N ATOM 1727 CA PHE B 724 -6.149 28.076 33.553 1.00 29.06 C ATOM 1728 C PHE B 724 -6.548 26.921 34.354 1.00 30.61 C ATOM 1729 O PHE B 724 -6.151 26.845 35.502 1.00 31.77 O ATOM 1730 CB PHE B 724 -4.759 27.730 32.952 1.00 28.31 C ATOM 1731 CG PHE B 724 -4.204 28.791 32.062 1.00 25.07 C ATOM 1732 CD1 PHE B 724 -3.424 29.822 32.565 1.00 27.01 C ATOM 1733 CD2 PHE B 724 -4.428 28.747 30.682 1.00 28.15 C ATOM 1734 CE1 PHE B 724 -2.908 30.840 31.708 1.00 24.48 C ATOM 1735 CE2 PHE B 724 -3.920 29.709 29.837 1.00 23.72 C ATOM 1736 CZ PHE B 724 -3.173 30.786 30.352 1.00 26.93 C ATOM 0 H PHE B 724 -5.818 29.144 35.184 1.00 31.47 H new ATOM 0 HA PHE B 724 -6.805 28.255 32.861 1.00 29.06 H new ATOM 0 HB2 PHE B 724 -4.134 27.569 33.676 1.00 28.31 H new ATOM 0 HB3 PHE B 724 -4.830 26.903 32.449 1.00 28.31 H new ATOM 0 HD1 PHE B 724 -3.234 29.850 33.475 1.00 27.01 H new ATOM 0 HD2 PHE B 724 -4.932 28.051 30.326 1.00 28.15 H new ATOM 0 HE1 PHE B 724 -2.398 31.534 32.059 1.00 24.48 H new ATOM 0 HE2 PHE B 724 -4.071 29.647 28.921 1.00 23.72 H new ATOM 0 HZ PHE B 724 -2.861 31.454 29.786 1.00 26.93 H new ATOM 1737 N HIS B 725 -7.286 25.977 33.752 1.00 31.04 N ATOM 1738 CA HIS B 725 -7.376 24.668 34.306 1.00 29.65 C ATOM 1739 C HIS B 725 -6.077 23.912 34.109 1.00 34.90 C ATOM 1740 O HIS B 725 -5.358 24.155 33.109 1.00 28.99 O ATOM 1741 CB HIS B 725 -8.515 23.872 33.655 1.00 32.25 C ATOM 1742 CG HIS B 725 -9.858 24.418 33.986 1.00 38.43 C ATOM 1743 ND1 HIS B 725 -10.720 24.903 33.035 1.00 42.43 N ATOM 1744 CD2 HIS B 725 -10.441 24.668 35.179 1.00 39.47 C ATOM 1745 CE1 HIS B 725 -11.799 25.388 33.616 1.00 40.74 C ATOM 1746 NE2 HIS B 725 -11.658 25.245 34.920 1.00 44.69 N ATOM 0 H HIS B 725 -7.732 26.096 33.026 1.00 31.04 H new ATOM 0 HA HIS B 725 -7.555 24.767 35.254 1.00 29.65 H new ATOM 0 HB2 HIS B 725 -8.397 23.874 32.692 1.00 32.25 H new ATOM 0 HB3 HIS B 725 -8.465 22.948 33.945 1.00 32.25 H new ATOM 0 HD2 HIS B 725 -10.084 24.484 36.018 1.00 39.47 H new ATOM 0 HE1 HIS B 725 -12.531 25.765 33.183 1.00 40.74 H new ATOM 0 HE2 HIS B 725 -12.237 25.477 35.513 1.00 44.69 H new ATOM 1747 N GLU B 726 -5.855 22.914 34.977 1.00 32.92 N ATOM 1748 CA GLU B 726 -4.634 22.132 34.919 1.00 41.43 C ATOM 1749 C GLU B 726 -4.308 21.620 33.504 1.00 34.01 C ATOM 1750 O GLU B 726 -3.199 21.796 33.013 1.00 36.03 O ATOM 1751 CB GLU B 726 -4.704 20.939 35.875 1.00 38.95 C ATOM 1752 CG GLU B 726 -3.378 20.251 36.065 1.00 41.59 C ATOM 1753 CD GLU B 726 -3.381 19.209 37.206 1.00 48.51 C ATOM 1754 OE1 GLU B 726 -4.362 19.124 37.976 1.00 50.32 O ATOM 1755 OE2 GLU B 726 -2.380 18.480 37.352 1.00 52.27 O ATOM 0 H GLU B 726 -6.401 22.683 35.600 1.00 32.92 H new ATOM 0 HA GLU B 726 -3.923 22.735 35.187 1.00 41.43 H new ATOM 0 HB2 GLU B 726 -5.031 21.242 36.737 1.00 38.95 H new ATOM 0 HB3 GLU B 726 -5.348 20.298 35.536 1.00 38.95 H new ATOM 0 HG2 GLU B 726 -3.128 19.812 35.237 1.00 41.59 H new ATOM 0 HG3 GLU B 726 -2.699 20.919 36.248 1.00 41.59 H new ATOM 1756 N HIS B 727 -5.275 20.962 32.918 1.00 35.00 N ATOM 1757 CA HIS B 727 -5.154 20.316 31.646 1.00 35.78 C ATOM 1758 C HIS B 727 -5.710 21.102 30.431 1.00 33.38 C ATOM 1759 O HIS B 727 -5.647 20.612 29.298 1.00 30.05 O ATOM 1760 CB HIS B 727 -5.773 18.936 31.752 1.00 41.34 C ATOM 1761 CG HIS B 727 -5.157 18.079 32.824 1.00 51.77 C ATOM 1762 ND1 HIS B 727 -3.826 17.708 32.820 1.00 56.03 N ATOM 1763 CD2 HIS B 727 -5.697 17.509 33.927 1.00 54.82 C ATOM 1764 CE1 HIS B 727 -3.576 16.954 33.878 1.00 55.81 C ATOM 1765 NE2 HIS B 727 -4.695 16.821 34.566 1.00 57.46 N ATOM 0 H HIS B 727 -6.056 20.876 33.268 1.00 35.00 H new ATOM 0 HA HIS B 727 -4.205 20.262 31.451 1.00 35.78 H new ATOM 0 HB2 HIS B 727 -6.722 19.029 31.928 1.00 41.34 H new ATOM 0 HB3 HIS B 727 -5.686 18.484 30.898 1.00 41.34 H new ATOM 0 HD2 HIS B 727 -6.583 17.572 34.201 1.00 54.82 H new ATOM 0 HE1 HIS B 727 -2.753 16.581 34.099 1.00 55.81 H new ATOM 0 HE2 HIS B 727 -4.782 16.375 35.296 1.00 57.46 H new ATOM 1766 N CYS B 728 -6.119 22.348 30.621 1.00 27.36 N ATOM 1767 CA CYS B 728 -6.391 23.265 29.517 1.00 27.23 C ATOM 1768 C CYS B 728 -5.115 23.979 29.141 1.00 27.93 C ATOM 1769 O CYS B 728 -4.845 24.202 27.945 1.00 25.52 O ATOM 1770 CB CYS B 728 -7.525 24.301 29.880 1.00 28.17 C ATOM 1771 SG CYS B 728 -9.215 23.648 29.890 1.00 29.97 S ATOM 0 H CYS B 728 -6.248 22.691 31.399 1.00 27.36 H new ATOM 0 HA CYS B 728 -6.712 22.750 28.760 1.00 27.23 H new ATOM 0 HB2 CYS B 728 -7.334 24.670 30.756 1.00 28.17 H new ATOM 0 HB3 CYS B 728 -7.484 25.035 29.247 1.00 28.17 H new ATOM 1772 N HIS B 729 -4.265 24.263 30.139 1.00 27.00 N ATOM 1773 CA HIS B 729 -2.966 24.803 29.830 1.00 26.30 C ATOM 1774 C HIS B 729 -2.142 23.686 29.126 1.00 25.48 C ATOM 1775 O HIS B 729 -2.387 22.493 29.350 1.00 25.52 O ATOM 1776 CB HIS B 729 -2.244 25.274 31.096 1.00 28.52 C ATOM 1777 CG HIS B 729 -1.044 26.114 30.821 1.00 27.38 C ATOM 1778 ND1 HIS B 729 0.229 25.591 30.707 1.00 30.00 N ATOM 1779 CD2 HIS B 729 -0.923 27.443 30.631 1.00 30.59 C ATOM 1780 CE1 HIS B 729 1.082 26.553 30.450 1.00 29.45 C ATOM 1781 NE2 HIS B 729 0.410 27.689 30.407 1.00 33.31 N ATOM 0 H HIS B 729 -4.429 24.149 30.976 1.00 27.00 H new ATOM 0 HA HIS B 729 -3.063 25.575 29.251 1.00 26.30 H new ATOM 0 HB2 HIS B 729 -2.865 25.779 31.644 1.00 28.52 H new ATOM 0 HB3 HIS B 729 -1.975 24.499 31.613 1.00 28.52 H new ATOM 0 HD1 HIS B 729 0.432 24.760 30.792 1.00 30.00 H new ATOM 0 HD2 HIS B 729 -1.609 28.071 30.648 1.00 30.59 H new ATOM 0 HE1 HIS B 729 1.998 26.453 30.321 1.00 29.45 H new ATOM 1782 N ILE B 730 -1.222 24.087 28.257 1.00 24.53 N ATOM 1783 CA ILE B 730 -0.343 23.161 27.538 1.00 25.85 C ATOM 1784 C ILE B 730 1.059 23.799 27.668 1.00 28.16 C ATOM 1785 O ILE B 730 1.237 24.973 27.313 1.00 29.03 O ATOM 1786 CB ILE B 730 -0.662 23.013 26.024 1.00 25.76 C ATOM 1787 CG1 ILE B 730 -2.136 22.779 25.781 1.00 26.06 C ATOM 1788 CG2 ILE B 730 0.150 21.856 25.475 1.00 28.00 C ATOM 1789 CD1 ILE B 730 -2.548 22.421 24.371 1.00 25.26 C ATOM 0 H ILE B 730 -1.086 24.914 28.063 1.00 24.53 H new ATOM 0 HA ILE B 730 -0.438 22.271 27.912 1.00 25.85 H new ATOM 0 HB ILE B 730 -0.427 23.838 25.571 1.00 25.76 H new ATOM 0 HG12 ILE B 730 -2.430 22.068 26.371 1.00 26.06 H new ATOM 0 HG13 ILE B 730 -2.616 23.581 26.042 1.00 26.06 H new ATOM 0 HG21 ILE B 730 -0.037 21.749 24.529 1.00 28.00 H new ATOM 0 HG22 ILE B 730 1.095 22.036 25.599 1.00 28.00 H new ATOM 0 HG23 ILE B 730 -0.088 21.042 25.945 1.00 28.00 H new ATOM 0 HD11 ILE B 730 -3.509 22.295 24.337 1.00 25.26 H new ATOM 0 HD12 ILE B 730 -2.294 23.137 23.768 1.00 25.26 H new ATOM 0 HD13 ILE B 730 -2.105 21.601 24.103 1.00 25.26 H new ATOM 1790 N PRO B 731 2.046 23.058 28.148 1.00 27.89 N ATOM 1791 CA PRO B 731 1.881 21.769 28.872 1.00 29.64 C ATOM 1792 C PRO B 731 1.032 21.929 30.166 1.00 29.32 C ATOM 1793 O PRO B 731 0.824 23.078 30.638 1.00 30.70 O ATOM 1794 CB PRO B 731 3.324 21.412 29.277 1.00 32.79 C ATOM 1795 CG PRO B 731 4.197 22.605 28.946 1.00 32.94 C ATOM 1796 CD PRO B 731 3.368 23.686 28.321 1.00 31.05 C ATOM 0 HA PRO B 731 1.430 21.106 28.326 1.00 29.64 H new ATOM 0 HB2 PRO B 731 3.372 21.206 30.224 1.00 32.79 H new ATOM 0 HB3 PRO B 731 3.627 20.624 28.800 1.00 32.79 H new ATOM 0 HG2 PRO B 731 4.623 22.938 29.752 1.00 32.94 H new ATOM 0 HG3 PRO B 731 4.906 22.339 28.340 1.00 32.94 H new ATOM 0 HD2 PRO B 731 3.318 24.470 28.890 1.00 31.05 H new ATOM 0 HD3 PRO B 731 3.739 23.974 27.472 1.00 31.05 H new ATOM 1797 N SER B 732 0.498 20.840 30.695 1.00 28.28 N ATOM 1798 CA SER B 732 -0.231 20.867 31.966 1.00 30.80 C ATOM 1799 C SER B 732 0.475 21.665 33.057 1.00 35.37 C ATOM 1800 O SER B 732 1.692 21.765 33.080 1.00 35.41 O ATOM 1801 CB SER B 732 -0.395 19.499 32.481 1.00 32.69 C ATOM 1802 OG SER B 732 -1.187 18.806 31.572 1.00 42.79 O ATOM 0 H SER B 732 0.544 20.062 30.332 1.00 28.28 H new ATOM 0 HA SER B 732 -1.080 21.292 31.768 1.00 30.80 H new ATOM 0 HB2 SER B 732 0.467 19.066 32.582 1.00 32.69 H new ATOM 0 HB3 SER B 732 -0.811 19.511 33.357 1.00 32.69 H new ATOM 0 HG SER B 732 -1.868 18.508 31.963 1.00 42.79 H new ATOM 1803 N VAL B 733 -0.318 22.303 33.904 1.00 33.67 N ATOM 1804 CA VAL B 733 0.201 23.223 34.890 1.00 36.96 C ATOM 1805 C VAL B 733 1.063 22.359 35.814 1.00 38.83 C ATOM 1806 O VAL B 733 0.680 21.218 36.079 1.00 35.87 O ATOM 1807 CB VAL B 733 -0.924 23.914 35.680 1.00 35.84 C ATOM 1808 CG1 VAL B 733 -0.369 24.772 36.817 1.00 34.21 C ATOM 1809 CG2 VAL B 733 -1.792 24.803 34.759 1.00 33.84 C ATOM 0 H VAL B 733 -1.173 22.212 33.920 1.00 33.67 H new ATOM 0 HA VAL B 733 0.704 23.941 34.475 1.00 36.96 H new ATOM 0 HB VAL B 733 -1.472 23.207 36.056 1.00 35.84 H new ATOM 0 HG11 VAL B 733 -1.102 25.192 37.293 1.00 34.21 H new ATOM 0 HG12 VAL B 733 0.135 24.213 37.429 1.00 34.21 H new ATOM 0 HG13 VAL B 733 0.213 25.457 36.452 1.00 34.21 H new ATOM 0 HG21 VAL B 733 -2.491 25.225 35.282 1.00 33.84 H new ATOM 0 HG22 VAL B 733 -1.237 25.486 34.351 1.00 33.84 H new ATOM 0 HG23 VAL B 733 -2.193 24.256 34.065 1.00 33.84 H new ATOM 1810 N GLU B 734 2.241 22.872 36.195 1.00 46.99 N ATOM 1811 CA GLU B 734 3.082 22.301 37.304 1.00 57.35 C ATOM 1812 C GLU B 734 2.508 22.857 38.623 1.00 63.35 C ATOM 1813 O GLU B 734 2.738 24.041 38.984 1.00 57.38 O ATOM 1814 CB GLU B 734 4.555 22.698 37.196 1.00 63.95 C ATOM 1815 CG GLU B 734 5.231 22.305 35.898 1.00 72.79 C ATOM 1816 CD GLU B 734 5.000 23.293 34.773 1.00 85.01 C ATOM 1817 OE1 GLU B 734 4.753 24.478 35.080 1.00 90.77 O ATOM 1818 OE2 GLU B 734 5.052 22.885 33.584 1.00100.82 O ATOM 0 H GLU B 734 2.590 23.565 35.824 1.00 46.99 H new ATOM 0 HA GLU B 734 3.051 21.333 37.258 1.00 57.35 H new ATOM 0 HB2 GLU B 734 4.626 23.659 37.303 1.00 63.95 H new ATOM 0 HB3 GLU B 734 5.040 22.294 37.933 1.00 63.95 H new ATOM 0 HG2 GLU B 734 6.185 22.218 36.052 1.00 72.79 H new ATOM 0 HG3 GLU B 734 4.907 21.433 35.624 1.00 72.79 H new ATOM 1819 N ALA B 735 1.712 22.029 39.305 1.00 70.92 N ATOM 1820 CA ALA B 735 0.998 22.431 40.543 1.00 80.46 C ATOM 1821 C ALA B 735 1.943 22.768 41.734 1.00 82.02 C ATOM 1822 O ALA B 735 1.653 23.657 42.557 1.00 83.05 O ATOM 1823 CB ALA B 735 -0.012 21.343 40.933 1.00 79.90 C ATOM 0 H ALA B 735 1.565 21.215 39.069 1.00 70.92 H new ATOM 0 HA ALA B 735 0.532 23.258 40.343 1.00 80.46 H new ATOM 0 HB1 ALA B 735 -0.477 21.608 41.742 1.00 79.90 H new ATOM 0 HB2 ALA B 735 -0.654 21.225 40.215 1.00 79.90 H new ATOM 0 HB3 ALA B 735 0.456 20.508 41.088 1.00 79.90 H new ATOM 1824 N ASN B 736 3.049 22.028 41.797 1.00 80.32 N ATOM 1825 CA ASN B 736 4.175 22.265 42.707 1.00 89.80 C ATOM 1826 C ASN B 736 4.850 23.651 42.618 1.00 93.16 C ATOM 1827 O ASN B 736 5.343 24.138 43.632 1.00101.20 O ATOM 1828 CB ASN B 736 5.254 21.210 42.432 1.00 89.26 C ATOM 1829 CG ASN B 736 5.776 21.284 40.993 1.00 95.28 C ATOM 1830 OD1 ASN B 736 4.992 21.344 40.037 1.00 84.58 O ATOM 1831 ND2 ASN B 736 7.092 21.322 40.838 1.00106.80 N ATOM 0 H ASN B 736 3.171 21.344 41.290 1.00 80.32 H new ATOM 0 HA ASN B 736 3.788 22.215 43.595 1.00 89.80 H new ATOM 0 HB2 ASN B 736 5.992 21.334 43.050 1.00 89.26 H new ATOM 0 HB3 ASN B 736 4.891 20.326 42.598 1.00 89.26 H new ATOM 0 HD21 ASN B 736 7.430 21.391 40.050 1.00106.80 H new ATOM 0 HD22 ASN B 736 7.607 21.278 41.525 1.00106.80 H new ATOM 1832 N LYS B 737 4.894 24.262 41.424 1.00 95.45 N ATOM 1833 CA LYS B 737 5.741 25.459 41.163 1.00 97.12 C ATOM 1834 C LYS B 737 5.143 26.770 41.657 1.00 96.20 C ATOM 1835 O LYS B 737 3.918 26.931 41.688 1.00 93.30 O ATOM 1836 CB LYS B 737 6.079 25.606 39.669 1.00 96.56 C ATOM 1837 CG LYS B 737 7.393 24.944 39.256 1.00101.88 C ATOM 1838 CD LYS B 737 8.005 25.550 38.002 1.00 97.31 C ATOM 1839 CE LYS B 737 8.195 27.048 38.139 1.00 98.07 C ATOM 1840 NZ LYS B 737 9.319 27.547 37.319 1.00100.99 N ATOM 0 H LYS B 737 4.439 24.002 40.742 1.00 95.45 H new ATOM 0 HA LYS B 737 6.548 25.293 41.676 1.00 97.12 H new ATOM 0 HB2 LYS B 737 5.357 25.224 39.145 1.00 96.56 H new ATOM 0 HB3 LYS B 737 6.121 26.550 39.448 1.00 96.56 H new ATOM 0 HG2 LYS B 737 8.028 25.017 39.986 1.00101.88 H new ATOM 0 HG3 LYS B 737 7.239 23.998 39.108 1.00101.88 H new ATOM 0 HD2 LYS B 737 8.861 25.130 37.824 1.00 97.31 H new ATOM 0 HD3 LYS B 737 7.434 25.364 37.240 1.00 97.31 H new ATOM 0 HE2 LYS B 737 7.379 27.501 37.876 1.00 98.07 H new ATOM 0 HE3 LYS B 737 8.354 27.268 39.070 1.00 98.07 H new ATOM 0 HZ1 LYS B 737 9.397 28.427 37.427 1.00100.99 H new ATOM 0 HZ2 LYS B 737 10.073 27.149 37.575 1.00100.99 H new ATOM 0 HZ3 LYS B 737 9.164 27.366 36.461 1.00100.99 H new ATOM 1841 N ASN B 738 6.023 27.709 42.015 1.00 93.74 N ATOM 1842 CA ASN B 738 5.617 28.967 42.651 1.00 91.85 C ATOM 1843 C ASN B 738 6.832 29.912 42.811 1.00 87.66 C ATOM 1844 O ASN B 738 7.649 29.689 43.688 1.00104.63 O ATOM 1845 CB ASN B 738 4.948 28.693 44.022 1.00 92.66 C ATOM 1846 CG ASN B 738 3.716 29.548 44.252 1.00 93.32 C ATOM 1847 OD1 ASN B 738 3.717 30.750 43.986 1.00112.44 O ATOM 1848 ND2 ASN B 738 2.652 28.926 44.713 1.00 87.33 N ATOM 0 H ASN B 738 6.872 27.635 41.896 1.00 93.74 H new ATOM 0 HA ASN B 738 4.967 29.404 42.079 1.00 91.85 H new ATOM 0 HB2 ASN B 738 4.702 27.756 44.076 1.00 92.66 H new ATOM 0 HB3 ASN B 738 5.590 28.859 44.730 1.00 92.66 H new ATOM 0 HD21 ASN B 738 1.921 29.361 44.839 1.00 87.33 H new ATOM 0 HD22 ASN B 738 2.688 28.085 44.888 1.00 87.33 H new ATOM 1849 N PRO B 739 6.985 30.951 41.996 1.00 73.34 N ATOM 1850 CA PRO B 739 6.001 31.397 41.038 1.00 70.76 C ATOM 1851 C PRO B 739 5.949 30.526 39.777 1.00 62.63 C ATOM 1852 O PRO B 739 6.952 29.932 39.366 1.00 59.94 O ATOM 1853 CB PRO B 739 6.456 32.827 40.715 1.00 70.95 C ATOM 1854 CG PRO B 739 7.930 32.808 40.902 1.00 70.17 C ATOM 1855 CD PRO B 739 8.221 31.749 41.932 1.00 69.62 C ATOM 0 HA PRO B 739 5.099 31.345 41.391 1.00 70.76 H new ATOM 0 HB2 PRO B 739 6.220 33.075 39.808 1.00 70.95 H new ATOM 0 HB3 PRO B 739 6.035 33.472 41.304 1.00 70.95 H new ATOM 0 HG2 PRO B 739 8.381 32.609 40.066 1.00 70.17 H new ATOM 0 HG3 PRO B 739 8.251 33.674 41.198 1.00 70.17 H new ATOM 0 HD2 PRO B 739 8.981 31.204 41.674 1.00 69.62 H new ATOM 0 HD3 PRO B 739 8.433 32.142 42.793 1.00 69.62 H new ATOM 1856 N TRP B 740 4.744 30.432 39.226 1.00 53.47 N ATOM 1857 CA TRP B 740 4.459 29.769 37.955 1.00 44.73 C ATOM 1858 C TRP B 740 4.079 30.855 36.971 1.00 43.97 C ATOM 1859 O TRP B 740 3.239 31.713 37.313 1.00 42.86 O ATOM 1860 CB TRP B 740 3.282 28.816 38.147 1.00 46.42 C ATOM 1861 CG TRP B 740 2.869 28.121 36.892 1.00 40.38 C ATOM 1862 CD1 TRP B 740 3.506 27.079 36.300 1.00 43.13 C ATOM 1863 CD2 TRP B 740 1.736 28.421 36.088 1.00 36.06 C ATOM 1864 NE1 TRP B 740 2.853 26.710 35.156 1.00 41.06 N ATOM 1865 CE2 TRP B 740 1.750 27.515 35.002 1.00 42.05 C ATOM 1866 CE3 TRP B 740 0.688 29.361 36.183 1.00 37.28 C ATOM 1867 CZ2 TRP B 740 0.755 27.528 33.988 1.00 36.90 C ATOM 1868 CZ3 TRP B 740 -0.304 29.372 35.202 1.00 34.76 C ATOM 1869 CH2 TRP B 740 -0.262 28.447 34.116 1.00 35.79 C ATOM 0 H TRP B 740 4.042 30.765 39.595 1.00 53.47 H new ATOM 0 HA TRP B 740 5.223 29.264 37.636 1.00 44.73 H new ATOM 0 HB2 TRP B 740 3.518 28.152 38.814 1.00 46.42 H new ATOM 0 HB3 TRP B 740 2.526 29.313 38.497 1.00 46.42 H new ATOM 0 HD1 TRP B 740 4.277 26.673 36.626 1.00 43.13 H new ATOM 0 HE1 TRP B 740 3.093 26.080 34.622 1.00 41.06 H new ATOM 0 HE3 TRP B 740 0.659 29.965 36.890 1.00 37.28 H new ATOM 0 HZ2 TRP B 740 0.789 26.940 33.268 1.00 36.90 H new ATOM 0 HZ3 TRP B 740 -0.999 29.988 35.256 1.00 34.76 H new ATOM 0 HH2 TRP B 740 -0.939 28.466 33.479 1.00 35.79 H new ATOM 1870 N SER B 741 4.701 30.861 35.783 1.00 37.10 N ATOM 1871 CA SER B 741 4.274 31.690 34.674 1.00 35.93 C ATOM 1872 C SER B 741 3.697 30.787 33.568 1.00 40.27 C ATOM 1873 O SER B 741 4.249 29.705 33.309 1.00 37.73 O ATOM 1874 CB SER B 741 5.423 32.432 34.049 1.00 37.52 C ATOM 1875 OG SER B 741 5.947 33.375 34.904 1.00 45.81 O ATOM 0 H SER B 741 5.389 30.375 35.608 1.00 37.10 H new ATOM 0 HA SER B 741 3.625 32.321 35.023 1.00 35.93 H new ATOM 0 HB2 SER B 741 6.117 31.802 33.798 1.00 37.52 H new ATOM 0 HB3 SER B 741 5.124 32.865 33.234 1.00 37.52 H new ATOM 0 HG SER B 741 5.526 34.097 34.817 1.00 45.81 H new ATOM 1876 N CYS B 742 2.667 31.303 32.871 1.00 35.37 N ATOM 1877 CA CYS B 742 1.949 30.590 31.842 1.00 32.05 C ATOM 1878 C CYS B 742 2.695 30.671 30.501 1.00 27.22 C ATOM 1879 O CYS B 742 3.694 31.371 30.356 1.00 28.87 O ATOM 1880 CB CYS B 742 0.517 31.189 31.682 1.00 31.77 C ATOM 1881 SG CYS B 742 0.385 32.804 30.806 1.00 34.58 S ATOM 0 H CYS B 742 2.372 32.100 33.000 1.00 35.37 H new ATOM 0 HA CYS B 742 1.884 29.658 32.104 1.00 32.05 H new ATOM 0 HB2 CYS B 742 -0.030 30.543 31.208 1.00 31.77 H new ATOM 0 HB3 CYS B 742 0.132 31.292 32.566 1.00 31.77 H new ATOM 1882 N ILE B 743 2.076 30.098 29.481 1.00 30.53 N ATOM 1883 CA ILE B 743 2.708 29.897 28.226 1.00 27.74 C ATOM 1884 C ILE B 743 2.721 31.189 27.455 1.00 29.43 C ATOM 1885 O ILE B 743 3.706 31.468 26.756 1.00 26.87 O ATOM 1886 CB ILE B 743 2.189 28.727 27.439 1.00 27.55 C ATOM 1887 CG1 ILE B 743 3.075 28.529 26.178 1.00 27.79 C ATOM 1888 CG2 ILE B 743 0.719 28.829 27.028 1.00 27.60 C ATOM 1889 CD1 ILE B 743 2.955 27.133 25.578 1.00 31.78 C ATOM 0 H ILE B 743 1.264 29.816 29.514 1.00 30.53 H new ATOM 0 HA ILE B 743 3.625 29.637 28.404 1.00 27.74 H new ATOM 0 HB ILE B 743 2.237 27.961 28.032 1.00 27.55 H new ATOM 0 HG12 ILE B 743 2.827 29.186 25.508 1.00 27.79 H new ATOM 0 HG13 ILE B 743 4.002 28.697 26.410 1.00 27.79 H new ATOM 0 HG21 ILE B 743 0.467 28.037 26.527 1.00 27.60 H new ATOM 0 HG22 ILE B 743 0.165 28.899 27.821 1.00 27.60 H new ATOM 0 HG23 ILE B 743 0.591 29.615 26.475 1.00 27.60 H new ATOM 0 HD11 ILE B 743 3.527 27.066 24.797 1.00 31.78 H new ATOM 0 HD12 ILE B 743 3.227 26.474 26.235 1.00 31.78 H new ATOM 0 HD13 ILE B 743 2.035 26.970 25.319 1.00 31.78 H new ATOM 1890 N PHE B 744 1.690 32.016 27.622 1.00 30.45 N ATOM 1891 CA PHE B 744 1.711 33.357 26.974 1.00 28.79 C ATOM 1892 C PHE B 744 2.936 34.194 27.421 1.00 30.01 C ATOM 1893 O PHE B 744 3.617 34.848 26.623 1.00 34.16 O ATOM 1894 CB PHE B 744 0.393 34.124 27.292 1.00 29.73 C ATOM 1895 CG PHE B 744 -0.833 33.525 26.677 1.00 28.07 C ATOM 1896 CD1 PHE B 744 -1.495 32.457 27.246 1.00 27.76 C ATOM 1897 CD2 PHE B 744 -1.365 34.054 25.540 1.00 27.77 C ATOM 1898 CE1 PHE B 744 -2.637 31.894 26.641 1.00 26.43 C ATOM 1899 CE2 PHE B 744 -2.521 33.545 24.966 1.00 25.33 C ATOM 1900 CZ PHE B 744 -3.152 32.451 25.501 1.00 25.04 C ATOM 0 H PHE B 744 0.987 31.841 28.086 1.00 30.45 H new ATOM 0 HA PHE B 744 1.783 33.220 26.016 1.00 28.79 H new ATOM 0 HB2 PHE B 744 0.275 34.158 28.254 1.00 29.73 H new ATOM 0 HB3 PHE B 744 0.482 35.040 26.984 1.00 29.73 H new ATOM 0 HD1 PHE B 744 -1.181 32.101 28.046 1.00 27.76 H new ATOM 0 HD2 PHE B 744 -0.941 34.777 25.137 1.00 27.77 H new ATOM 0 HE1 PHE B 744 -3.040 31.145 27.016 1.00 26.43 H new ATOM 0 HE2 PHE B 744 -2.873 33.952 24.207 1.00 25.33 H new ATOM 0 HZ PHE B 744 -3.912 32.096 25.099 1.00 25.04 H new ATOM 1901 N CYS B 745 3.172 34.178 28.722 1.00 33.38 N ATOM 1902 CA CYS B 745 4.274 34.870 29.357 1.00 35.67 C ATOM 1903 C CYS B 745 5.654 34.311 28.949 1.00 37.41 C ATOM 1904 O CYS B 745 6.547 35.053 28.639 1.00 37.90 O ATOM 1905 CB CYS B 745 4.110 34.755 30.854 1.00 36.36 C ATOM 1906 SG CYS B 745 2.770 35.781 31.505 1.00 40.40 S ATOM 0 H CYS B 745 2.676 33.748 29.278 1.00 33.38 H new ATOM 0 HA CYS B 745 4.250 35.795 29.066 1.00 35.67 H new ATOM 0 HB2 CYS B 745 3.941 33.828 31.085 1.00 36.36 H new ATOM 0 HB3 CYS B 745 4.942 35.008 31.285 1.00 36.36 H new ATOM 1907 N ARG B 746 5.792 32.993 28.942 1.00 33.84 N ATOM 1908 CA ARG B 746 7.038 32.351 28.555 1.00 34.81 C ATOM 1909 C ARG B 746 7.382 32.583 27.119 1.00 32.61 C ATOM 1910 O ARG B 746 8.512 32.830 26.818 1.00 31.07 O ATOM 1911 CB ARG B 746 6.970 30.854 28.833 1.00 36.41 C ATOM 1912 CG ARG B 746 6.928 30.559 30.328 1.00 35.08 C ATOM 1913 CD ARG B 746 6.459 29.127 30.579 1.00 39.89 C ATOM 1914 NE ARG B 746 7.460 28.188 30.091 1.00 40.24 N ATOM 1915 CZ ARG B 746 7.369 26.860 30.119 1.00 38.51 C ATOM 1916 NH1 ARG B 746 6.297 26.253 30.592 1.00 37.15 N ATOM 1917 NH2 ARG B 746 8.395 26.141 29.639 1.00 37.35 N ATOM 0 H ARG B 746 5.166 32.446 29.161 1.00 33.84 H new ATOM 0 HA ARG B 746 7.740 32.754 29.090 1.00 34.81 H new ATOM 0 HB2 ARG B 746 6.182 30.481 28.407 1.00 36.41 H new ATOM 0 HB3 ARG B 746 7.740 30.416 28.438 1.00 36.41 H new ATOM 0 HG2 ARG B 746 7.809 30.689 30.713 1.00 35.08 H new ATOM 0 HG3 ARG B 746 6.330 31.183 30.769 1.00 35.08 H new ATOM 0 HD2 ARG B 746 6.308 28.989 31.527 1.00 39.89 H new ATOM 0 HD3 ARG B 746 5.612 28.972 30.132 1.00 39.89 H new ATOM 0 HE ARG B 746 8.177 28.523 29.753 1.00 40.24 H new ATOM 0 HH11 ARG B 746 5.637 26.716 30.891 1.00 37.15 H new ATOM 0 HH12 ARG B 746 6.258 25.394 30.601 1.00 37.15 H new ATOM 0 HH21 ARG B 746 9.089 26.539 29.324 1.00 37.35 H new ATOM 0 HH22 ARG B 746 8.359 25.282 29.647 1.00 37.35 H new ATOM 1918 N ILE B 747 6.391 32.521 26.250 1.00 31.90 N ATOM 1919 CA ILE B 747 6.541 32.917 24.872 1.00 34.49 C ATOM 1920 C ILE B 747 6.943 34.401 24.704 1.00 38.23 C ATOM 1921 O ILE B 747 7.821 34.738 23.905 1.00 37.19 O ATOM 1922 CB ILE B 747 5.251 32.643 24.088 1.00 36.76 C ATOM 1923 CG1 ILE B 747 5.016 31.127 23.943 1.00 39.81 C ATOM 1924 CG2 ILE B 747 5.277 33.280 22.706 1.00 35.20 C ATOM 1925 CD1 ILE B 747 5.936 30.445 22.947 1.00 41.10 C ATOM 0 H ILE B 747 5.602 32.243 26.450 1.00 31.90 H new ATOM 0 HA ILE B 747 7.267 32.381 24.516 1.00 34.49 H new ATOM 0 HB ILE B 747 4.525 33.041 24.593 1.00 36.76 H new ATOM 0 HG12 ILE B 747 5.129 30.708 24.811 1.00 39.81 H new ATOM 0 HG13 ILE B 747 4.096 30.977 23.673 1.00 39.81 H new ATOM 0 HG21 ILE B 747 4.447 33.085 22.244 1.00 35.20 H new ATOM 0 HG22 ILE B 747 5.379 34.241 22.794 1.00 35.20 H new ATOM 0 HG23 ILE B 747 6.022 32.921 22.198 1.00 35.20 H new ATOM 0 HD11 ILE B 747 5.729 29.498 22.911 1.00 41.10 H new ATOM 0 HD12 ILE B 747 5.810 30.837 22.069 1.00 41.10 H new ATOM 0 HD13 ILE B 747 6.858 30.564 23.224 1.00 41.10 H new ATOM 1926 N LYS B 748 6.288 35.285 25.423 1.00 41.44 N ATOM 1927 CA LYS B 748 6.596 36.709 25.323 1.00 44.55 C ATOM 1928 C LYS B 748 8.071 36.948 25.712 1.00 43.19 C ATOM 1929 O LYS B 748 8.793 37.621 24.990 1.00 38.37 O ATOM 1930 CB LYS B 748 5.676 37.506 26.224 1.00 48.75 C ATOM 1931 CG LYS B 748 5.866 39.023 26.107 1.00 59.61 C ATOM 1932 CD LYS B 748 4.774 39.803 26.820 1.00 61.12 C ATOM 1933 CE LYS B 748 4.831 39.643 28.333 1.00 65.21 C ATOM 1934 NZ LYS B 748 3.654 40.265 29.028 1.00 75.71 N ATOM 0 H LYS B 748 5.660 35.090 25.977 1.00 41.44 H new ATOM 0 HA LYS B 748 6.459 37.003 24.409 1.00 44.55 H new ATOM 0 HB2 LYS B 748 4.756 37.285 26.011 1.00 48.75 H new ATOM 0 HB3 LYS B 748 5.826 37.239 27.144 1.00 48.75 H new ATOM 0 HG2 LYS B 748 6.728 39.267 26.478 1.00 59.61 H new ATOM 0 HG3 LYS B 748 5.879 39.273 25.170 1.00 59.61 H new ATOM 0 HD2 LYS B 748 4.853 40.743 26.595 1.00 61.12 H new ATOM 0 HD3 LYS B 748 3.908 39.507 26.499 1.00 61.12 H new ATOM 0 HE2 LYS B 748 4.870 38.699 28.553 1.00 65.21 H new ATOM 0 HE3 LYS B 748 5.648 40.046 28.666 1.00 65.21 H new ATOM 0 HZ1 LYS B 748 3.731 40.147 29.907 1.00 75.71 H new ATOM 0 HZ2 LYS B 748 3.629 41.136 28.848 1.00 75.71 H new ATOM 0 HZ3 LYS B 748 2.903 39.881 28.742 1.00 75.71 H new ATOM 1935 N THR B 749 8.508 36.373 26.836 1.00 39.08 N ATOM 1936 CA THR B 749 9.934 36.374 27.216 1.00 40.44 C ATOM 1937 C THR B 749 10.917 36.010 26.077 1.00 45.24 C ATOM 1938 O THR B 749 11.843 36.750 25.802 1.00 52.58 O ATOM 1939 CB THR B 749 10.167 35.475 28.431 1.00 41.23 C ATOM 1940 OG1 THR B 749 9.424 35.991 29.546 1.00 45.71 O ATOM 1941 CG2 THR B 749 11.640 35.447 28.817 1.00 45.00 C ATOM 0 H THR B 749 7.994 35.973 27.398 1.00 39.08 H new ATOM 0 HA THR B 749 10.134 37.297 27.439 1.00 40.44 H new ATOM 0 HB THR B 749 9.880 34.577 28.203 1.00 41.23 H new ATOM 0 HG1 THR B 749 8.611 35.803 29.452 1.00 45.71 H new ATOM 0 HG21 THR B 749 11.762 34.872 29.588 1.00 45.00 H new ATOM 0 HG22 THR B 749 12.163 35.107 28.074 1.00 45.00 H new ATOM 0 HG23 THR B 749 11.935 36.345 29.035 1.00 45.00 H new ATOM 1942 N ILE B 750 10.682 34.888 25.411 1.00 45.49 N ATOM 1943 CA ILE B 750 11.437 34.476 24.243 1.00 44.20 C ATOM 1944 C ILE B 750 11.415 35.502 23.090 1.00 47.10 C ATOM 1945 O ILE B 750 12.467 35.788 22.481 1.00 47.33 O ATOM 1946 CB ILE B 750 10.890 33.143 23.710 1.00 41.58 C ATOM 1947 CG1 ILE B 750 11.246 32.004 24.687 1.00 42.61 C ATOM 1948 CG2 ILE B 750 11.374 32.866 22.302 1.00 40.16 C ATOM 1949 CD1 ILE B 750 10.534 30.730 24.326 1.00 42.68 C ATOM 0 H ILE B 750 10.064 34.333 25.633 1.00 45.49 H new ATOM 0 HA ILE B 750 12.356 34.392 24.541 1.00 44.20 H new ATOM 0 HB ILE B 750 9.923 33.200 23.656 1.00 41.58 H new ATOM 0 HG12 ILE B 750 12.204 31.855 24.677 1.00 42.61 H new ATOM 0 HG13 ILE B 750 11.009 32.264 25.591 1.00 42.61 H new ATOM 0 HG21 ILE B 750 11.012 32.020 21.996 1.00 40.16 H new ATOM 0 HG22 ILE B 750 11.077 33.577 21.712 1.00 40.16 H new ATOM 0 HG23 ILE B 750 12.343 32.824 22.295 1.00 40.16 H new ATOM 0 HD11 ILE B 750 10.777 30.034 24.956 1.00 42.68 H new ATOM 0 HD12 ILE B 750 9.575 30.875 24.358 1.00 42.68 H new ATOM 0 HD13 ILE B 750 10.790 30.459 23.431 1.00 42.68 H new ATOM 1950 N GLN B 751 10.229 35.995 22.762 1.00 42.63 N ATOM 1951 CA GLN B 751 10.057 37.020 21.710 1.00 46.64 C ATOM 1952 C GLN B 751 10.872 38.288 21.964 1.00 45.12 C ATOM 1953 O GLN B 751 11.511 38.815 21.074 1.00 47.68 O ATOM 1954 CB GLN B 751 8.576 37.367 21.499 1.00 48.96 C ATOM 1955 CG GLN B 751 7.854 36.198 20.833 1.00 56.67 C ATOM 1956 CD GLN B 751 6.348 36.371 20.649 1.00 60.57 C ATOM 1957 OE1 GLN B 751 5.665 37.116 21.369 1.00 57.43 O ATOM 1958 NE2 GLN B 751 5.819 35.642 19.678 1.00 65.18 N ATOM 0 H GLN B 751 9.494 35.752 23.137 1.00 42.63 H new ATOM 0 HA GLN B 751 10.403 36.622 20.896 1.00 46.64 H new ATOM 0 HB2 GLN B 751 8.159 37.571 22.351 1.00 48.96 H new ATOM 0 HB3 GLN B 751 8.498 38.161 20.948 1.00 48.96 H new ATOM 0 HG2 GLN B 751 8.254 36.045 19.963 1.00 56.67 H new ATOM 0 HG3 GLN B 751 8.009 35.399 21.361 1.00 56.67 H new ATOM 0 HE21 GLN B 751 6.322 35.136 19.198 1.00 65.18 H new ATOM 0 HE22 GLN B 751 4.973 35.675 19.528 1.00 65.18 H new ATOM 1959 N GLU B 752 10.867 38.725 23.205 1.00 49.34 N ATOM 1960 CA GLU B 752 11.472 39.990 23.607 1.00 60.87 C ATOM 1961 C GLU B 752 12.980 39.918 23.835 1.00 71.77 C ATOM 1962 O GLU B 752 13.579 40.974 24.109 1.00 69.62 O ATOM 1963 CB GLU B 752 10.804 40.502 24.892 1.00 58.27 C ATOM 1964 CG GLU B 752 9.409 41.036 24.635 1.00 58.03 C ATOM 1965 CD GLU B 752 8.658 41.340 25.896 1.00 69.86 C ATOM 1966 OE1 GLU B 752 9.224 41.141 27.010 1.00 73.79 O ATOM 1967 OE2 GLU B 752 7.484 41.762 25.763 1.00 79.09 O ATOM 0 H GLU B 752 10.507 38.292 23.855 1.00 49.34 H new ATOM 0 HA GLU B 752 11.328 40.597 22.865 1.00 60.87 H new ATOM 0 HB2 GLU B 752 10.759 39.782 25.541 1.00 58.27 H new ATOM 0 HB3 GLU B 752 11.350 41.202 25.282 1.00 58.27 H new ATOM 0 HG2 GLU B 752 9.470 41.842 24.098 1.00 58.03 H new ATOM 0 HG3 GLU B 752 8.910 40.386 24.116 1.00 58.03 H new ATOM 1968 N ARG B 753 13.577 38.718 23.742 1.00 63.03 N ATOM 1969 CA ARG B 753 14.980 38.544 24.055 1.00 70.07 C ATOM 1970 C ARG B 753 15.925 39.333 23.108 1.00 79.67 C ATOM 1971 O ARG B 753 16.733 40.180 23.557 1.00 68.54 O ATOM 1972 CB ARG B 753 15.340 37.063 24.070 1.00 69.96 C ATOM 1973 CG ARG B 753 16.760 36.826 24.577 1.00 70.57 C ATOM 1974 CD ARG B 753 17.110 35.362 24.644 1.00 70.01 C ATOM 1975 NE ARG B 753 16.671 34.674 23.419 1.00 69.67 N ATOM 1976 CZ ARG B 753 15.858 33.611 23.351 1.00 63.29 C ATOM 1977 NH1 ARG B 753 15.364 33.000 24.453 1.00 59.45 N ATOM 1978 NH2 ARG B 753 15.590 33.105 22.154 1.00 58.19 N ATOM 0 H ARG B 753 13.175 37.998 23.498 1.00 63.03 H new ATOM 0 HA ARG B 753 15.115 38.917 24.940 1.00 70.07 H new ATOM 0 HB2 ARG B 753 14.712 36.584 24.633 1.00 69.96 H new ATOM 0 HB3 ARG B 753 15.252 36.700 23.175 1.00 69.96 H new ATOM 0 HG2 ARG B 753 17.389 37.280 23.994 1.00 70.57 H new ATOM 0 HG3 ARG B 753 16.856 37.219 25.458 1.00 70.57 H new ATOM 0 HD2 ARG B 753 18.068 35.257 24.756 1.00 70.01 H new ATOM 0 HD3 ARG B 753 16.688 34.958 25.418 1.00 70.01 H new ATOM 0 HE ARG B 753 16.965 34.985 22.673 1.00 69.67 H new ATOM 0 HH11 ARG B 753 15.570 33.292 25.235 1.00 59.45 H new ATOM 0 HH12 ARG B 753 14.844 32.320 24.371 1.00 59.45 H new ATOM 0 HH21 ARG B 753 15.935 33.459 21.450 1.00 58.19 H new ATOM 0 HH22 ARG B 753 15.071 32.423 22.082 1.00 58.19 H new ATOM 1979 N CYS B 754 15.847 39.029 21.817 1.00 90.55 N ATOM 1980 CA CYS B 754 16.503 39.844 20.785 1.00 96.31 C ATOM 1981 C CYS B 754 15.615 39.863 19.544 1.00 99.34 C ATOM 1982 O CYS B 754 15.729 38.968 18.693 1.00 92.06 O ATOM 1983 CB CYS B 754 17.922 39.348 20.447 1.00 92.16 C ATOM 1984 SG CYS B 754 18.854 40.600 19.522 1.00 82.83 S ATOM 0 H CYS B 754 15.417 38.350 21.511 1.00 90.55 H new ATOM 0 HA CYS B 754 16.615 40.744 21.129 1.00 96.31 H new ATOM 0 HB2 CYS B 754 18.394 39.129 21.266 1.00 92.16 H new ATOM 0 HB3 CYS B 754 17.866 38.532 19.925 1.00 92.16 H new ATOM 0 HG CYS B 754 19.952 40.182 19.278 1.00 82.83 H new ATOM 1985 N PRO B 755 14.710 40.863 19.451 1.00108.45 N ATOM 1986 CA PRO B 755 13.763 40.834 18.336 1.00118.46 C ATOM 1987 C PRO B 755 14.390 40.988 16.916 1.00129.67 C ATOM 1988 O PRO B 755 14.608 42.102 16.441 1.00131.88 O ATOM 1989 CB PRO B 755 12.764 41.966 18.684 1.00113.66 C ATOM 1990 CG PRO B 755 12.919 42.184 20.153 1.00113.01 C ATOM 1991 CD PRO B 755 14.373 41.929 20.420 1.00111.40 C ATOM 0 HA PRO B 755 13.347 39.961 18.258 1.00118.46 H new ATOM 0 HB2 PRO B 755 12.963 42.775 18.186 1.00113.66 H new ATOM 0 HB3 PRO B 755 11.855 41.712 18.461 1.00113.66 H new ATOM 0 HG2 PRO B 755 12.667 43.086 20.405 1.00113.01 H new ATOM 0 HG3 PRO B 755 12.355 41.580 20.661 1.00113.01 H new ATOM 0 HD2 PRO B 755 14.909 42.725 20.278 1.00111.40 H new ATOM 0 HD3 PRO B 755 14.525 41.644 21.335 1.00111.40 H new ATOM 1992 N GLU B 756 14.718 39.856 16.283 1.00135.13 N ATOM 1993 CA GLU B 756 14.687 39.751 14.822 1.00129.19 C ATOM 1994 C GLU B 756 13.185 39.628 14.573 1.00139.98 C ATOM 1995 O GLU B 756 12.611 38.574 14.856 1.00141.62 O ATOM 1996 CB GLU B 756 15.432 38.505 14.317 1.00109.54 C ATOM 0 H GLU B 756 14.962 39.136 16.685 1.00135.13 H new ATOM 0 HA GLU B 756 15.118 40.491 14.366 1.00129.19 H new ATOM 1997 N SER B 757 12.563 40.718 14.096 1.00143.94 N ATOM 1998 CA SER B 757 11.089 40.941 14.135 1.00144.62 C ATOM 1999 C SER B 757 10.254 39.858 13.411 1.00150.08 C ATOM 2000 O SER B 757 10.766 38.764 13.161 1.00166.01 O ATOM 2001 CB SER B 757 10.777 42.333 13.560 1.00137.32 C ATOM 0 H SER B 757 12.991 41.368 13.730 1.00143.94 H new ATOM 0 HA SER B 757 10.825 40.881 15.066 1.00144.62 H new ATOM 2002 N GLN B 758 8.990 40.129 13.052 1.00140.19 N ATOM 2003 CA GLN B 758 8.258 39.228 12.132 1.00123.41 C ATOM 2004 C GLN B 758 8.904 39.282 10.732 1.00124.45 C ATOM 2005 O GLN B 758 8.208 39.142 9.719 1.00114.19 O ATOM 2006 CB GLN B 758 6.766 39.573 12.067 1.00112.89 C ATOM 0 H GLN B 758 8.543 40.813 13.321 1.00140.19 H new ATOM 0 HA GLN B 758 8.321 38.323 12.475 1.00123.41 H new ATOM 2007 N SER B 759 10.250 39.356 10.717 1.00128.29 N ATOM 2008 CA SER B 759 11.088 39.856 9.613 1.00123.87 C ATOM 2009 C SER B 759 11.128 38.874 8.447 1.00121.60 C ATOM 2010 O SER B 759 11.731 39.162 7.405 1.00129.60 O ATOM 2011 CB SER B 759 12.522 40.148 10.109 1.00110.03 C ATOM 0 H SER B 759 10.721 39.101 11.390 1.00128.29 H new ATOM 0 HA SER B 759 10.688 40.681 9.296 1.00123.87 H new ATOM 2012 N GLY B 760 10.514 37.707 8.654 1.00106.09 N ATOM 2013 CA GLY B 760 10.114 36.821 7.584 1.00 97.18 C ATOM 2014 C GLY B 760 10.955 35.585 7.731 1.00 90.42 C ATOM 2015 O GLY B 760 12.180 35.683 7.835 1.00 96.13 O ATOM 0 H GLY B 760 10.319 37.411 9.438 1.00106.09 H new ATOM 0 HA2 GLY B 760 9.170 36.607 7.645 1.00 97.18 H new ATOM 0 HA3 GLY B 760 10.255 37.236 6.719 1.00 97.18 H new ATOM 2016 N HIS B 761 10.291 34.437 7.831 1.00 71.83 N ATOM 2017 CA HIS B 761 10.913 33.153 7.569 1.00 57.57 C ATOM 2018 C HIS B 761 10.052 32.449 6.544 1.00 57.43 C ATOM 2019 O HIS B 761 8.916 32.842 6.310 1.00 52.22 O ATOM 2020 CB HIS B 761 11.004 32.331 8.841 1.00 54.36 C ATOM 2021 CG HIS B 761 11.781 32.999 9.928 1.00 54.83 C ATOM 2022 ND1 HIS B 761 11.205 33.882 10.808 1.00 58.96 N ATOM 2023 CD2 HIS B 761 13.093 32.923 10.275 1.00 56.02 C ATOM 2024 CE1 HIS B 761 12.120 34.308 11.664 1.00 57.49 C ATOM 2025 NE2 HIS B 761 13.269 33.726 11.373 1.00 50.97 N ATOM 0 H HIS B 761 9.462 34.385 8.054 1.00 71.83 H new ATOM 0 HA HIS B 761 11.818 33.271 7.240 1.00 57.57 H new ATOM 0 HB2 HIS B 761 10.108 32.144 9.162 1.00 54.36 H new ATOM 0 HB3 HIS B 761 11.416 31.477 8.637 1.00 54.36 H new ATOM 0 HD1 HIS B 761 10.379 34.121 10.804 1.00 58.96 H new ATOM 0 HD2 HIS B 761 13.749 32.421 9.848 1.00 56.02 H new ATOM 0 HE1 HIS B 761 11.978 34.915 12.354 1.00 57.49 H new ATOM 2026 N GLN B 762 10.607 31.417 5.930 1.00 55.12 N ATOM 2027 CA GLN B 762 9.923 30.635 4.936 1.00 58.35 C ATOM 2028 C GLN B 762 9.309 29.421 5.596 1.00 54.28 C ATOM 2029 O GLN B 762 9.941 28.818 6.441 1.00 57.70 O ATOM 2030 CB GLN B 762 10.914 30.141 3.892 1.00 67.08 C ATOM 2031 CG GLN B 762 11.860 31.202 3.348 1.00 77.32 C ATOM 2032 CD GLN B 762 11.154 32.512 3.050 1.00 91.26 C ATOM 2033 OE1 GLN B 762 10.225 32.567 2.221 1.00 97.20 O ATOM 2034 NE2 GLN B 762 11.569 33.578 3.744 1.00 99.44 N ATOM 0 H GLN B 762 11.410 31.151 6.088 1.00 55.12 H new ATOM 0 HA GLN B 762 9.242 31.186 4.519 1.00 58.35 H new ATOM 0 HB2 GLN B 762 11.441 29.425 4.280 1.00 67.08 H new ATOM 0 HB3 GLN B 762 10.418 29.759 3.151 1.00 67.08 H new ATOM 0 HG2 GLN B 762 12.569 31.359 3.991 1.00 77.32 H new ATOM 0 HG3 GLN B 762 12.279 30.872 2.538 1.00 77.32 H new ATOM 0 HE21 GLN B 762 12.214 33.500 4.308 1.00 99.44 H new ATOM 0 HE22 GLN B 762 11.191 34.341 3.627 1.00 99.44 H new ATOM 2035 N GLU B 763 8.128 29.007 5.163 1.00 46.67 N ATOM 2036 CA GLU B 763 7.487 27.895 5.812 1.00 46.27 C ATOM 2037 C GLU B 763 8.396 26.653 5.778 1.00 47.40 C ATOM 2038 O GLU B 763 8.568 26.009 6.830 1.00 41.02 O ATOM 2039 CB GLU B 763 6.054 27.623 5.283 1.00 45.34 C ATOM 2040 CG GLU B 763 5.376 26.388 5.954 1.00 43.49 C ATOM 2041 CD GLU B 763 4.067 25.969 5.331 1.00 43.18 C ATOM 2042 OE1 GLU B 763 3.131 26.774 5.462 1.00 47.08 O ATOM 2043 OE2 GLU B 763 3.919 24.863 4.727 1.00 40.95 O ATOM 0 H GLU B 763 7.693 29.353 4.507 1.00 46.67 H new ATOM 0 HA GLU B 763 7.358 28.134 6.743 1.00 46.27 H new ATOM 0 HB2 GLU B 763 5.505 28.408 5.435 1.00 45.34 H new ATOM 0 HB3 GLU B 763 6.091 27.483 4.324 1.00 45.34 H new ATOM 0 HG2 GLU B 763 5.991 25.639 5.919 1.00 43.49 H new ATOM 0 HG3 GLU B 763 5.225 26.587 6.891 1.00 43.49 H new ATOM 2044 N SER B 764 9.004 26.371 4.609 1.00 44.43 N ATOM 2045 CA ASER B 764 9.843 25.175 4.395 0.71 44.20 C ATOM 2046 CA BSER B 764 9.837 25.162 4.408 0.29 44.20 C ATOM 2047 C SER B 764 11.000 25.092 5.393 1.00 45.01 C ATOM 2048 O SER B 764 11.396 24.012 5.810 1.00 44.97 O ATOM 2049 CB ASER B 764 10.431 25.196 2.964 0.71 49.22 C ATOM 2050 CB BSER B 764 10.401 25.079 2.970 0.29 46.18 C ATOM 2051 OG ASER B 764 11.135 26.420 2.751 0.71 44.01 O ATOM 2052 OG BSER B 764 9.465 24.531 2.064 0.29 44.05 O ATOM 0 H ASER B 764 8.939 26.874 3.914 0.71 44.43 H new ATOM 0 H BSER B 764 8.946 26.873 3.913 0.29 44.43 H new ATOM 0 HA ASER B 764 9.272 24.401 4.523 0.71 44.20 H new ATOM 0 HA BSER B 764 9.244 24.410 4.564 0.29 44.20 H new ATOM 0 HB2ASER B 764 11.029 24.443 2.840 0.71 46.18 H new ATOM 0 HB2BSER B 764 10.657 25.966 2.672 0.29 46.18 H new ATOM 0 HB3ASER B 764 9.720 25.104 2.311 0.71 46.18 H new ATOM 0 HB3BSER B 764 11.205 24.537 2.970 0.29 46.18 H new ATOM 0 HG ASER B 764 11.454 26.428 1.974 0.71 44.05 H new ATOM 0 HG BSER B 764 9.803 24.502 1.295 0.29 44.05 H new ATOM 2053 N GLU B 765 11.536 26.246 5.748 1.00 39.04 N ATOM 2054 CA GLU B 765 12.584 26.312 6.711 1.00 44.26 C ATOM 2055 C GLU B 765 12.048 25.998 8.102 1.00 45.83 C ATOM 2056 O GLU B 765 12.642 25.203 8.844 1.00 39.69 O ATOM 2057 CB GLU B 765 13.242 27.697 6.699 1.00 43.32 C ATOM 2058 CG GLU B 765 14.434 27.823 7.644 1.00 51.07 C ATOM 2059 CD GLU B 765 14.145 28.510 8.983 1.00 60.09 C ATOM 2060 OE1 GLU B 765 13.302 29.441 9.052 1.00 57.26 O ATOM 2061 OE2 GLU B 765 14.798 28.130 9.998 1.00 62.51 O ATOM 0 H GLU B 765 11.294 27.008 5.430 1.00 39.04 H new ATOM 0 HA GLU B 765 13.254 25.650 6.478 1.00 44.26 H new ATOM 0 HB2 GLU B 765 13.533 27.899 5.796 1.00 43.32 H new ATOM 0 HB3 GLU B 765 12.579 28.363 6.939 1.00 43.32 H new ATOM 0 HG2 GLU B 765 14.781 26.935 7.822 1.00 51.07 H new ATOM 0 HG3 GLU B 765 15.136 28.316 7.190 1.00 51.07 H new ATOM 2062 N VAL B 766 10.926 26.622 8.447 1.00 40.11 N ATOM 2063 CA VAL B 766 10.372 26.488 9.790 1.00 37.32 C ATOM 2064 C VAL B 766 10.058 25.023 10.040 1.00 32.26 C ATOM 2065 O VAL B 766 10.442 24.521 11.067 1.00 32.39 O ATOM 2066 CB VAL B 766 9.139 27.413 10.002 1.00 40.52 C ATOM 2067 CG1 VAL B 766 8.325 26.993 11.235 1.00 43.52 C ATOM 2068 CG2 VAL B 766 9.615 28.851 10.160 1.00 36.75 C ATOM 0 H VAL B 766 10.471 27.127 7.920 1.00 40.11 H new ATOM 0 HA VAL B 766 11.026 26.781 10.444 1.00 37.32 H new ATOM 0 HB VAL B 766 8.561 27.336 9.227 1.00 40.52 H new ATOM 0 HG11 VAL B 766 7.566 27.587 11.339 1.00 43.52 H new ATOM 0 HG12 VAL B 766 8.009 26.083 11.120 1.00 43.52 H new ATOM 0 HG13 VAL B 766 8.885 27.043 12.025 1.00 43.52 H new ATOM 0 HG21 VAL B 766 8.850 29.433 10.293 1.00 36.75 H new ATOM 0 HG22 VAL B 766 10.205 28.914 10.927 1.00 36.75 H new ATOM 0 HG23 VAL B 766 10.093 29.123 9.361 1.00 36.75 H new ATOM 2069 N LEU B 767 9.441 24.347 9.071 1.00 30.15 N ATOM 2070 CA LEU B 767 9.115 22.950 9.226 1.00 33.53 C ATOM 2071 C LEU B 767 10.308 21.985 9.505 1.00 38.32 C ATOM 2072 O LEU B 767 10.138 20.944 10.145 1.00 36.32 O ATOM 2073 CB LEU B 767 8.290 22.400 8.057 1.00 33.04 C ATOM 2074 CG LEU B 767 6.947 23.062 7.685 1.00 36.76 C ATOM 2075 CD1 LEU B 767 6.327 22.373 6.495 1.00 34.13 C ATOM 2076 CD2 LEU B 767 6.004 23.079 8.893 1.00 36.04 C ATOM 0 H LEU B 767 9.206 24.689 8.318 1.00 30.15 H new ATOM 0 HA LEU B 767 8.584 22.961 10.037 1.00 33.53 H new ATOM 0 HB2 LEU B 767 8.854 22.427 7.268 1.00 33.04 H new ATOM 0 HB3 LEU B 767 8.109 21.466 8.245 1.00 33.04 H new ATOM 0 HG LEU B 767 7.111 23.984 7.432 1.00 36.76 H new ATOM 0 HD11 LEU B 767 5.485 22.801 6.275 1.00 34.13 H new ATOM 0 HD12 LEU B 767 6.928 22.434 5.736 1.00 34.13 H new ATOM 0 HD13 LEU B 767 6.169 21.440 6.707 1.00 34.13 H new ATOM 0 HD21 LEU B 767 5.165 23.498 8.643 1.00 36.04 H new ATOM 0 HD22 LEU B 767 5.836 22.170 9.186 1.00 36.04 H new ATOM 0 HD23 LEU B 767 6.413 23.581 9.616 1.00 36.04 H new ATOM 2077 N MET B 768 11.493 22.350 9.030 1.00 41.72 N ATOM 2078 CA MET B 768 12.707 21.548 9.229 1.00 45.07 C ATOM 2079 C MET B 768 13.388 21.786 10.592 1.00 38.63 C ATOM 2080 O MET B 768 14.309 21.047 10.964 1.00 38.40 O ATOM 2081 CB MET B 768 13.673 21.803 8.035 1.00 47.10 C ATOM 2082 CG MET B 768 13.214 21.085 6.772 1.00 54.85 C ATOM 2083 SD MET B 768 12.928 19.294 7.065 1.00 73.42 S ATOM 2084 CE MET B 768 14.591 18.737 7.522 1.00 67.71 C ATOM 0 H MET B 768 11.621 23.072 8.581 1.00 41.72 H new ATOM 0 HA MET B 768 12.452 20.612 9.249 1.00 45.07 H new ATOM 0 HB2 MET B 768 13.730 22.756 7.863 1.00 47.10 H new ATOM 0 HB3 MET B 768 14.565 21.504 8.271 1.00 47.10 H new ATOM 0 HG2 MET B 768 12.396 21.494 6.448 1.00 54.85 H new ATOM 0 HG3 MET B 768 13.882 21.196 6.077 1.00 54.85 H new ATOM 0 HE1 MET B 768 14.562 17.799 7.767 1.00 67.71 H new ATOM 0 HE2 MET B 768 15.191 18.856 6.769 1.00 67.71 H new ATOM 0 HE3 MET B 768 14.911 19.258 8.275 1.00 67.71 H new ATOM 2085 N ARG B 769 12.939 22.792 11.335 1.00 31.50 N ATOM 2086 CA ARG B 769 13.467 23.015 12.656 1.00 35.73 C ATOM 2087 C ARG B 769 13.233 21.829 13.564 1.00 36.66 C ATOM 2088 O ARG B 769 12.143 21.199 13.550 1.00 32.66 O ATOM 2089 CB ARG B 769 12.912 24.249 13.302 1.00 39.05 C ATOM 2090 CG ARG B 769 13.160 25.485 12.458 1.00 45.17 C ATOM 2091 CD ARG B 769 12.883 26.718 13.260 1.00 47.88 C ATOM 2092 NE ARG B 769 12.792 27.855 12.353 1.00 56.90 N ATOM 2093 CZ ARG B 769 12.335 29.066 12.660 1.00 58.69 C ATOM 2094 NH1 ARG B 769 11.865 29.337 13.879 1.00 62.28 N ATOM 2095 NH2 ARG B 769 12.331 30.018 11.717 1.00 63.38 N ATOM 0 H ARG B 769 12.333 23.349 11.087 1.00 31.50 H new ATOM 0 HA ARG B 769 14.421 23.139 12.534 1.00 35.73 H new ATOM 0 HB2 ARG B 769 11.959 24.140 13.443 1.00 39.05 H new ATOM 0 HB3 ARG B 769 13.317 24.367 14.176 1.00 39.05 H new ATOM 0 HG2 ARG B 769 14.078 25.493 12.145 1.00 45.17 H new ATOM 0 HG3 ARG B 769 12.593 25.468 11.671 1.00 45.17 H new ATOM 0 HD2 ARG B 769 12.056 26.617 13.757 1.00 47.88 H new ATOM 0 HD3 ARG B 769 13.589 26.862 13.910 1.00 47.88 H new ATOM 0 HE ARG B 769 13.058 27.732 11.545 1.00 56.90 H new ATOM 0 HH11 ARG B 769 11.854 28.724 14.482 1.00 62.28 H new ATOM 0 HH12 ARG B 769 11.573 30.125 14.062 1.00 62.28 H new ATOM 0 HH21 ARG B 769 12.621 29.842 10.927 1.00 63.38 H new ATOM 0 HH22 ARG B 769 12.038 30.805 11.902 1.00 63.38 H new ATOM 2096 N GLN B 770 14.285 21.512 14.324 1.00 34.24 N ATOM 2097 CA GLN B 770 14.254 20.337 15.197 1.00 34.41 C ATOM 2098 C GLN B 770 13.494 20.783 16.433 1.00 32.13 C ATOM 2099 O GLN B 770 13.563 21.962 16.866 1.00 25.63 O ATOM 2100 CB GLN B 770 15.689 19.850 15.555 1.00 33.96 C ATOM 2101 CG GLN B 770 16.398 19.150 14.394 1.00 39.64 C ATOM 2102 CD GLN B 770 17.777 18.611 14.746 1.00 45.51 C ATOM 2103 OE1 GLN B 770 18.098 18.400 15.897 1.00 43.40 O ATOM 2104 NE2 GLN B 770 18.576 18.359 13.744 1.00 52.04 N ATOM 0 H GLN B 770 15.019 21.960 14.348 1.00 34.24 H new ATOM 0 HA GLN B 770 13.827 19.581 14.765 1.00 34.41 H new ATOM 0 HB2 GLN B 770 16.220 20.610 15.839 1.00 33.96 H new ATOM 0 HB3 GLN B 770 15.639 19.242 16.309 1.00 33.96 H new ATOM 0 HG2 GLN B 770 15.844 18.417 14.083 1.00 39.64 H new ATOM 0 HG3 GLN B 770 16.483 19.774 13.656 1.00 39.64 H new ATOM 0 HE21 GLN B 770 18.320 18.519 12.939 1.00 52.04 H new ATOM 0 HE22 GLN B 770 19.358 18.033 13.889 1.00 52.04 H new ATOM 2105 N MET B 771 12.835 19.835 17.072 1.00 29.07 N ATOM 2106 CA MET B 771 12.069 20.186 18.274 1.00 30.41 C ATOM 2107 C MET B 771 12.889 20.354 19.544 1.00 27.45 C ATOM 2108 O MET B 771 12.629 19.721 20.563 1.00 26.95 O ATOM 2109 CB MET B 771 10.932 19.215 18.460 1.00 28.56 C ATOM 2110 CG MET B 771 9.926 19.340 17.325 1.00 34.52 C ATOM 2111 SD MET B 771 8.737 20.713 17.556 1.00 34.29 S ATOM 2112 CE MET B 771 7.489 19.870 18.512 1.00 32.76 C ATOM 0 H MET B 771 12.811 19.006 16.844 1.00 29.07 H new ATOM 0 HA MET B 771 11.717 21.075 18.113 1.00 30.41 H new ATOM 0 HB2 MET B 771 11.277 18.309 18.494 1.00 28.56 H new ATOM 0 HB3 MET B 771 10.492 19.383 19.308 1.00 28.56 H new ATOM 0 HG2 MET B 771 10.404 19.472 16.491 1.00 34.52 H new ATOM 0 HG3 MET B 771 9.436 18.507 17.243 1.00 34.52 H new ATOM 0 HE1 MET B 771 6.842 20.514 18.839 1.00 32.76 H new ATOM 0 HE2 MET B 771 7.040 19.216 17.953 1.00 32.76 H new ATOM 0 HE3 MET B 771 7.906 19.420 19.264 1.00 32.76 H new ATOM 2113 N LEU B 772 13.771 21.345 19.503 1.00 29.45 N ATOM 2114 CA LEU B 772 14.452 21.869 20.669 1.00 28.84 C ATOM 2115 C LEU B 772 13.426 22.516 21.607 1.00 30.47 C ATOM 2116 O LEU B 772 12.293 22.786 21.223 1.00 27.48 O ATOM 2117 CB LEU B 772 15.501 22.896 20.257 1.00 34.33 C ATOM 2118 CG LEU B 772 16.614 22.364 19.319 1.00 39.10 C ATOM 2119 CD1 LEU B 772 17.474 23.519 18.904 1.00 40.56 C ATOM 2120 CD2 LEU B 772 17.490 21.285 19.958 1.00 38.32 C ATOM 0 H LEU B 772 13.994 21.740 18.772 1.00 29.45 H new ATOM 0 HA LEU B 772 14.900 21.141 21.129 1.00 28.84 H new ATOM 0 HB2 LEU B 772 15.053 23.635 19.817 1.00 34.33 H new ATOM 0 HB3 LEU B 772 15.916 23.252 21.058 1.00 34.33 H new ATOM 0 HG LEU B 772 16.178 21.948 18.559 1.00 39.10 H new ATOM 0 HD11 LEU B 772 18.178 23.204 18.315 1.00 40.56 H new ATOM 0 HD12 LEU B 772 16.932 24.175 18.438 1.00 40.56 H new ATOM 0 HD13 LEU B 772 17.870 23.927 19.690 1.00 40.56 H new ATOM 0 HD21 LEU B 772 18.163 20.996 19.322 1.00 38.32 H new ATOM 0 HD22 LEU B 772 17.924 21.646 20.747 1.00 38.32 H new ATOM 0 HD23 LEU B 772 16.939 20.528 20.211 1.00 38.32 H new ATOM 2121 N PRO B 773 13.808 22.742 22.856 1.00 28.01 N ATOM 2122 CA PRO B 773 12.831 23.204 23.838 1.00 30.56 C ATOM 2123 C PRO B 773 11.983 24.420 23.421 1.00 32.46 C ATOM 2124 O PRO B 773 10.761 24.426 23.664 1.00 30.67 O ATOM 2125 CB PRO B 773 13.719 23.551 25.026 1.00 27.34 C ATOM 2126 CG PRO B 773 14.798 22.542 24.932 1.00 28.19 C ATOM 2127 CD PRO B 773 15.103 22.404 23.497 1.00 29.32 C ATOM 0 HA PRO B 773 12.154 22.527 23.996 1.00 30.56 H new ATOM 0 HB2 PRO B 773 14.065 24.455 24.965 1.00 27.34 H new ATOM 0 HB3 PRO B 773 13.238 23.487 25.866 1.00 27.34 H new ATOM 0 HG2 PRO B 773 15.582 22.825 25.428 1.00 28.19 H new ATOM 0 HG3 PRO B 773 14.515 21.695 25.310 1.00 28.19 H new ATOM 0 HD2 PRO B 773 15.811 23.006 23.219 1.00 29.32 H new ATOM 0 HD3 PRO B 773 15.392 21.505 23.275 1.00 29.32 H new ATOM 2128 N GLU B 774 12.615 25.404 22.783 1.00 33.42 N ATOM 2129 CA GLU B 774 11.874 26.597 22.362 1.00 36.55 C ATOM 2130 C GLU B 774 10.879 26.263 21.266 1.00 32.93 C ATOM 2131 O GLU B 774 9.756 26.788 21.268 1.00 32.34 O ATOM 2132 CB GLU B 774 12.808 27.789 22.010 1.00 37.93 C ATOM 2133 CG GLU B 774 13.326 28.475 23.277 1.00 43.79 C ATOM 2134 CD GLU B 774 14.184 29.760 23.081 1.00 50.30 C ATOM 2135 OE1 GLU B 774 14.333 30.318 21.957 1.00 47.99 O ATOM 2136 OE2 GLU B 774 14.730 30.200 24.106 1.00 49.77 O ATOM 0 H GLU B 774 13.452 25.404 22.587 1.00 33.42 H new ATOM 0 HA GLU B 774 11.356 26.904 23.123 1.00 36.55 H new ATOM 0 HB2 GLU B 774 13.557 27.472 21.481 1.00 37.93 H new ATOM 0 HB3 GLU B 774 12.327 28.431 21.465 1.00 37.93 H new ATOM 0 HG2 GLU B 774 12.563 28.703 23.831 1.00 43.79 H new ATOM 0 HG3 GLU B 774 13.855 27.832 23.774 1.00 43.79 H new ATOM 2137 N GLU B 775 11.244 25.387 20.343 1.00 30.00 N ATOM 2138 CA GLU B 775 10.351 25.037 19.295 1.00 32.03 C ATOM 2139 C GLU B 775 9.215 24.179 19.871 1.00 28.06 C ATOM 2140 O GLU B 775 8.092 24.241 19.408 1.00 29.78 O ATOM 2141 CB GLU B 775 11.021 24.302 18.118 1.00 35.43 C ATOM 2142 CG GLU B 775 12.275 24.957 17.533 1.00 48.84 C ATOM 2143 CD GLU B 775 12.108 26.395 17.101 1.00 58.27 C ATOM 2144 OE1 GLU B 775 11.086 26.726 16.459 1.00 55.58 O ATOM 2145 OE2 GLU B 775 13.023 27.188 17.405 1.00 60.65 O ATOM 0 H GLU B 775 12.007 24.992 20.318 1.00 30.00 H new ATOM 0 HA GLU B 775 10.010 25.868 18.928 1.00 32.03 H new ATOM 0 HB2 GLU B 775 11.254 23.407 18.411 1.00 35.43 H new ATOM 0 HB3 GLU B 775 10.368 24.207 17.407 1.00 35.43 H new ATOM 0 HG2 GLU B 775 12.984 24.913 18.194 1.00 48.84 H new ATOM 0 HG3 GLU B 775 12.568 24.437 16.769 1.00 48.84 H new ATOM 2146 N GLN B 776 9.527 23.364 20.860 1.00 26.01 N ATOM 2147 CA GLN B 776 8.551 22.478 21.459 1.00 27.78 C ATOM 2148 C GLN B 776 7.507 23.395 22.161 1.00 28.57 C ATOM 2149 O GLN B 776 6.341 23.197 22.024 1.00 25.81 O ATOM 2150 CB GLN B 776 9.302 21.513 22.366 1.00 28.85 C ATOM 2151 CG GLN B 776 8.482 20.709 23.334 1.00 32.03 C ATOM 2152 CD GLN B 776 7.837 19.512 22.751 1.00 28.35 C ATOM 2153 OE1 GLN B 776 8.327 18.915 21.797 1.00 28.24 O ATOM 2154 NE2 GLN B 776 6.717 19.118 23.362 1.00 28.58 N ATOM 0 H GLN B 776 10.313 23.308 21.204 1.00 26.01 H new ATOM 0 HA GLN B 776 8.062 21.919 20.835 1.00 27.78 H new ATOM 0 HB2 GLN B 776 9.797 20.896 21.805 1.00 28.85 H new ATOM 0 HB3 GLN B 776 9.954 22.021 22.873 1.00 28.85 H new ATOM 0 HG2 GLN B 776 9.052 20.430 24.068 1.00 32.03 H new ATOM 0 HG3 GLN B 776 7.795 21.281 23.710 1.00 32.03 H new ATOM 0 HE21 GLN B 776 6.409 19.567 24.028 1.00 28.58 H new ATOM 0 HE22 GLN B 776 6.303 18.415 23.090 1.00 28.58 H new ATOM 2155 N LEU B 777 7.966 24.453 22.808 1.00 28.77 N ATOM 2156 CA LEU B 777 7.074 25.375 23.487 1.00 29.67 C ATOM 2157 C LEU B 777 6.166 26.080 22.475 1.00 29.90 C ATOM 2158 O LEU B 777 4.965 26.229 22.700 1.00 29.75 O ATOM 2159 CB LEU B 777 7.897 26.384 24.322 1.00 27.93 C ATOM 2160 CG LEU B 777 7.057 27.225 25.305 1.00 33.35 C ATOM 2161 CD1 LEU B 777 6.560 26.357 26.467 1.00 32.09 C ATOM 2162 CD2 LEU B 777 7.821 28.452 25.869 1.00 33.71 C ATOM 0 H LEU B 777 8.800 24.657 22.866 1.00 28.77 H new ATOM 0 HA LEU B 777 6.502 24.882 24.095 1.00 29.67 H new ATOM 0 HB2 LEU B 777 8.573 25.900 24.822 1.00 27.93 H new ATOM 0 HB3 LEU B 777 8.365 26.982 23.719 1.00 27.93 H new ATOM 0 HG LEU B 777 6.305 27.563 24.794 1.00 33.35 H new ATOM 0 HD11 LEU B 777 6.034 26.900 27.075 1.00 32.09 H new ATOM 0 HD12 LEU B 777 6.011 25.636 26.121 1.00 32.09 H new ATOM 0 HD13 LEU B 777 7.320 25.985 26.941 1.00 32.09 H new ATOM 0 HD21 LEU B 777 7.245 28.940 26.478 1.00 33.71 H new ATOM 0 HD22 LEU B 777 8.612 28.151 26.343 1.00 33.71 H new ATOM 0 HD23 LEU B 777 8.085 29.033 25.138 1.00 33.71 H new ATOM 2163 N LYS B 778 6.724 26.473 21.343 1.00 27.41 N ATOM 2164 CA LYS B 778 5.951 27.219 20.390 1.00 26.78 C ATOM 2165 C LYS B 778 4.895 26.397 19.792 1.00 25.91 C ATOM 2166 O LYS B 778 3.807 26.906 19.432 1.00 28.55 O ATOM 2167 CB LYS B 778 6.828 27.818 19.282 1.00 30.30 C ATOM 2168 CG LYS B 778 7.596 29.009 19.752 1.00 32.65 C ATOM 2169 CD LYS B 778 8.616 29.468 18.712 1.00 41.85 C ATOM 2170 CE LYS B 778 9.183 30.813 19.112 1.00 47.86 C ATOM 2171 NZ LYS B 778 10.229 31.219 18.142 1.00 58.57 N ATOM 0 H LYS B 778 7.539 26.317 21.115 1.00 27.41 H new ATOM 0 HA LYS B 778 5.540 27.947 20.882 1.00 26.78 H new ATOM 0 HB2 LYS B 778 7.446 27.143 18.961 1.00 30.30 H new ATOM 0 HB3 LYS B 778 6.269 28.072 18.531 1.00 30.30 H new ATOM 0 HG2 LYS B 778 6.982 29.735 19.946 1.00 32.65 H new ATOM 0 HG3 LYS B 778 8.052 28.794 20.581 1.00 32.65 H new ATOM 0 HD2 LYS B 778 9.330 28.816 18.637 1.00 41.85 H new ATOM 0 HD3 LYS B 778 8.196 29.531 17.840 1.00 41.85 H new ATOM 0 HE2 LYS B 778 8.477 31.478 19.137 1.00 47.86 H new ATOM 0 HE3 LYS B 778 9.558 30.764 20.005 1.00 47.86 H new ATOM 0 HZ1 LYS B 778 10.562 32.010 18.378 1.00 58.57 H new ATOM 0 HZ2 LYS B 778 10.881 30.613 18.137 1.00 58.57 H new ATOM 0 HZ3 LYS B 778 9.873 31.278 17.328 1.00 58.57 H new ATOM 2172 N CYS B 779 5.176 25.129 19.572 1.00 23.98 N ATOM 2173 CA CYS B 779 4.119 24.294 19.029 1.00 22.45 C ATOM 2174 C CYS B 779 3.050 24.041 20.105 1.00 21.67 C ATOM 2175 O CYS B 779 1.878 23.869 19.766 1.00 22.32 O ATOM 2176 CB CYS B 779 4.649 22.924 18.595 1.00 28.58 C ATOM 2177 SG CYS B 779 5.721 22.971 17.156 1.00 30.25 S ATOM 0 H CYS B 779 5.931 24.744 19.720 1.00 23.98 H new ATOM 0 HA CYS B 779 3.752 24.763 18.263 1.00 22.45 H new ATOM 0 HB2 CYS B 779 5.135 22.527 19.335 1.00 28.58 H new ATOM 0 HB3 CYS B 779 3.896 22.342 18.406 1.00 28.58 H new ATOM 0 HG CYS B 779 6.659 22.243 17.331 1.00 30.25 H new ATOM 2178 N GLU B 780 3.486 23.888 21.351 1.00 21.61 N ATOM 2179 CA GLU B 780 2.545 23.770 22.469 1.00 24.36 C ATOM 2180 C GLU B 780 1.556 25.005 22.509 1.00 24.63 C ATOM 2181 O GLU B 780 0.313 24.869 22.643 1.00 22.93 O ATOM 2182 CB GLU B 780 3.259 23.627 23.787 1.00 24.12 C ATOM 2183 CG GLU B 780 3.765 22.217 24.048 1.00 27.09 C ATOM 2184 CD GLU B 780 4.887 22.096 25.073 1.00 29.16 C ATOM 2185 OE1 GLU B 780 5.360 23.178 25.543 1.00 28.81 O ATOM 2186 OE2 GLU B 780 5.289 20.897 25.420 1.00 30.12 O ATOM 0 H GLU B 780 4.316 23.850 21.573 1.00 21.61 H new ATOM 0 HA GLU B 780 2.027 22.963 22.324 1.00 24.36 H new ATOM 0 HB2 GLU B 780 4.009 24.242 23.810 1.00 24.12 H new ATOM 0 HB3 GLU B 780 2.658 23.886 24.503 1.00 24.12 H new ATOM 0 HG2 GLU B 780 3.019 21.673 24.344 1.00 27.09 H new ATOM 0 HG3 GLU B 780 4.074 21.842 23.209 1.00 27.09 H new ATOM 2187 N PHE B 781 2.126 26.170 22.298 1.00 24.23 N ATOM 2188 CA PHE B 781 1.344 27.393 22.289 1.00 27.51 C ATOM 2189 C PHE B 781 0.404 27.425 21.149 1.00 28.76 C ATOM 2190 O PHE B 781 -0.784 27.773 21.297 1.00 25.35 O ATOM 2191 CB PHE B 781 2.271 28.572 22.280 1.00 29.63 C ATOM 2192 CG PHE B 781 1.601 29.895 22.445 1.00 30.53 C ATOM 2193 CD1 PHE B 781 0.722 30.132 23.528 1.00 32.36 C ATOM 2194 CD2 PHE B 781 1.927 30.955 21.582 1.00 30.61 C ATOM 2195 CE1 PHE B 781 0.114 31.392 23.720 1.00 31.54 C ATOM 2196 CE2 PHE B 781 1.350 32.215 21.791 1.00 34.34 C ATOM 2197 CZ PHE B 781 0.438 32.435 22.856 1.00 33.66 C ATOM 0 H PHE B 781 2.967 26.280 22.157 1.00 24.23 H new ATOM 0 HA PHE B 781 0.802 27.429 23.092 1.00 27.51 H new ATOM 0 HB2 PHE B 781 2.921 28.462 22.991 1.00 29.63 H new ATOM 0 HB3 PHE B 781 2.763 28.575 21.444 1.00 29.63 H new ATOM 0 HD1 PHE B 781 0.541 29.443 24.126 1.00 32.36 H new ATOM 0 HD2 PHE B 781 2.520 30.822 20.878 1.00 30.61 H new ATOM 0 HE1 PHE B 781 -0.493 31.523 24.412 1.00 31.54 H new ATOM 0 HE2 PHE B 781 1.568 32.918 21.223 1.00 34.34 H new ATOM 0 HZ PHE B 781 0.057 33.275 22.977 1.00 33.66 H new ATOM 2198 N LEU B 782 0.879 26.961 20.007 1.00 28.33 N ATOM 2199 CA LEU B 782 0.046 26.912 18.816 1.00 27.51 C ATOM 2200 C LEU B 782 -1.104 25.968 19.003 1.00 29.76 C ATOM 2201 O LEU B 782 -2.240 26.231 18.606 1.00 23.94 O ATOM 2202 CB LEU B 782 0.900 26.548 17.621 1.00 30.99 C ATOM 2203 CG LEU B 782 0.318 26.332 16.279 1.00 35.41 C ATOM 2204 CD1 LEU B 782 -0.728 27.375 15.864 1.00 41.14 C ATOM 2205 CD2 LEU B 782 1.517 26.319 15.336 1.00 37.00 C ATOM 0 H LEU B 782 1.681 26.669 19.898 1.00 28.33 H new ATOM 0 HA LEU B 782 -0.341 27.787 18.655 1.00 27.51 H new ATOM 0 HB2 LEU B 782 1.565 27.248 17.528 1.00 30.99 H new ATOM 0 HB3 LEU B 782 1.375 25.735 17.854 1.00 30.99 H new ATOM 0 HG LEU B 782 -0.187 25.504 16.260 1.00 35.41 H new ATOM 0 HD11 LEU B 782 -1.060 27.165 14.977 1.00 41.14 H new ATOM 0 HD12 LEU B 782 -1.464 27.364 16.496 1.00 41.14 H new ATOM 0 HD13 LEU B 782 -0.322 28.256 15.857 1.00 41.14 H new ATOM 0 HD21 LEU B 782 1.212 26.180 14.426 1.00 37.00 H new ATOM 0 HD22 LEU B 782 1.984 27.167 15.394 1.00 37.00 H new ATOM 0 HD23 LEU B 782 2.119 25.601 15.588 1.00 37.00 H new ATOM 2206 N LEU B 783 -0.843 24.835 19.623 1.00 26.22 N ATOM 2207 CA LEU B 783 -1.940 23.899 19.822 1.00 22.55 C ATOM 2208 C LEU B 783 -2.965 24.540 20.817 1.00 22.53 C ATOM 2209 O LEU B 783 -4.176 24.382 20.642 1.00 19.87 O ATOM 2210 CB LEU B 783 -1.432 22.574 20.354 1.00 23.14 C ATOM 2211 CG LEU B 783 -2.424 21.464 20.683 1.00 23.65 C ATOM 2212 CD1 LEU B 783 -3.207 21.012 19.453 1.00 25.16 C ATOM 2213 CD2 LEU B 783 -1.649 20.323 21.299 1.00 24.27 C ATOM 0 H LEU B 783 -0.076 24.591 19.926 1.00 26.22 H new ATOM 0 HA LEU B 783 -2.374 23.721 18.973 1.00 22.55 H new ATOM 0 HB2 LEU B 783 -0.806 22.220 19.702 1.00 23.14 H new ATOM 0 HB3 LEU B 783 -0.926 22.760 21.161 1.00 23.14 H new ATOM 0 HG LEU B 783 -3.088 21.794 21.309 1.00 23.65 H new ATOM 0 HD11 LEU B 783 -3.825 20.308 19.703 1.00 25.16 H new ATOM 0 HD12 LEU B 783 -3.703 21.763 19.091 1.00 25.16 H new ATOM 0 HD13 LEU B 783 -2.591 20.678 18.782 1.00 25.16 H new ATOM 0 HD21 LEU B 783 -2.257 19.600 21.519 1.00 24.27 H new ATOM 0 HD22 LEU B 783 -0.984 20.005 20.668 1.00 24.27 H new ATOM 0 HD23 LEU B 783 -1.207 20.630 22.106 1.00 24.27 H new ATOM 2214 N LEU B 784 -2.456 25.196 21.860 1.00 23.90 N ATOM 2215 CA LEU B 784 -3.335 25.856 22.857 1.00 22.92 C ATOM 2216 C LEU B 784 -4.223 26.898 22.181 1.00 25.95 C ATOM 2217 O LEU B 784 -5.403 26.974 22.492 1.00 26.63 O ATOM 2218 CB LEU B 784 -2.568 26.488 23.966 1.00 24.11 C ATOM 2219 CG LEU B 784 -3.414 27.195 25.065 1.00 24.73 C ATOM 2220 CD1 LEU B 784 -2.790 26.928 26.386 1.00 26.72 C ATOM 2221 CD2 LEU B 784 -3.388 28.700 24.883 1.00 26.92 C ATOM 0 H LEU B 784 -1.614 25.276 22.016 1.00 23.90 H new ATOM 0 HA LEU B 784 -3.888 25.160 23.246 1.00 22.92 H new ATOM 0 HB2 LEU B 784 -2.025 25.805 24.390 1.00 24.11 H new ATOM 0 HB3 LEU B 784 -1.958 27.138 23.584 1.00 24.11 H new ATOM 0 HG LEU B 784 -4.323 26.862 25.006 1.00 24.73 H new ATOM 0 HD11 LEU B 784 -3.307 27.363 27.082 1.00 26.72 H new ATOM 0 HD12 LEU B 784 -2.771 25.972 26.548 1.00 26.72 H new ATOM 0 HD13 LEU B 784 -1.884 27.275 26.392 1.00 26.72 H new ATOM 0 HD21 LEU B 784 -3.920 29.119 25.577 1.00 26.92 H new ATOM 0 HD22 LEU B 784 -2.473 29.017 24.941 1.00 26.92 H new ATOM 0 HD23 LEU B 784 -3.754 28.927 24.014 1.00 26.92 H new ATOM 2222 N LYS B 785 -3.658 27.700 21.282 1.00 28.04 N ATOM 2223 CA LYS B 785 -4.442 28.675 20.488 1.00 28.34 C ATOM 2224 C LYS B 785 -5.566 28.053 19.739 1.00 27.35 C ATOM 2225 O LYS B 785 -6.631 28.604 19.705 1.00 28.72 O ATOM 2226 CB LYS B 785 -3.593 29.532 19.565 1.00 30.42 C ATOM 2227 CG LYS B 785 -2.578 30.460 20.276 1.00 31.04 C ATOM 2228 CD LYS B 785 -3.013 31.457 21.334 1.00 38.14 C ATOM 2229 CE LYS B 785 -4.023 32.483 20.862 1.00 42.75 C ATOM 2230 NZ LYS B 785 -3.480 33.578 20.037 1.00 47.11 N ATOM 0 H LYS B 785 -2.816 27.702 21.109 1.00 28.04 H new ATOM 0 HA LYS B 785 -4.826 29.267 21.153 1.00 28.34 H new ATOM 0 HB2 LYS B 785 -3.108 28.949 18.961 1.00 30.42 H new ATOM 0 HB3 LYS B 785 -4.182 30.078 19.021 1.00 30.42 H new ATOM 0 HG2 LYS B 785 -1.913 29.886 20.687 1.00 31.04 H new ATOM 0 HG3 LYS B 785 -2.126 30.966 19.582 1.00 31.04 H new ATOM 0 HD2 LYS B 785 -3.391 30.970 22.083 1.00 38.14 H new ATOM 0 HD3 LYS B 785 -2.228 31.922 21.664 1.00 38.14 H new ATOM 0 HE2 LYS B 785 -4.711 32.026 20.353 1.00 42.75 H new ATOM 0 HE3 LYS B 785 -4.456 32.869 21.640 1.00 42.75 H new ATOM 0 HZ1 LYS B 785 -4.093 34.217 19.951 1.00 47.11 H new ATOM 0 HZ2 LYS B 785 -2.755 33.914 20.429 1.00 47.11 H new ATOM 0 HZ3 LYS B 785 -3.264 33.265 19.232 1.00 47.11 H new ATOM 2231 N VAL B 786 -5.398 26.863 19.178 1.00 25.58 N ATOM 2232 CA VAL B 786 -6.506 26.209 18.535 1.00 23.36 C ATOM 2233 C VAL B 786 -7.594 25.810 19.550 1.00 27.47 C ATOM 2234 O VAL B 786 -8.809 26.004 19.327 1.00 25.21 O ATOM 2235 CB VAL B 786 -6.039 24.983 17.737 1.00 23.17 C ATOM 2236 CG1 VAL B 786 -7.196 24.207 17.200 1.00 24.86 C ATOM 2237 CG2 VAL B 786 -5.139 25.439 16.587 1.00 24.44 C ATOM 0 H VAL B 786 -4.656 26.428 19.162 1.00 25.58 H new ATOM 0 HA VAL B 786 -6.895 26.846 17.915 1.00 23.36 H new ATOM 0 HB VAL B 786 -5.544 24.401 18.334 1.00 23.17 H new ATOM 0 HG11 VAL B 786 -6.869 23.441 16.702 1.00 24.86 H new ATOM 0 HG12 VAL B 786 -7.750 23.902 17.935 1.00 24.86 H new ATOM 0 HG13 VAL B 786 -7.721 24.773 16.613 1.00 24.86 H new ATOM 0 HG21 VAL B 786 -4.843 24.666 16.082 1.00 24.44 H new ATOM 0 HG22 VAL B 786 -5.635 26.035 16.004 1.00 24.44 H new ATOM 0 HG23 VAL B 786 -4.368 25.906 16.945 1.00 24.44 H new ATOM 2238 N TYR B 787 -7.166 25.235 20.673 1.00 26.50 N ATOM 2239 CA TYR B 787 -8.132 24.842 21.752 1.00 27.46 C ATOM 2240 C TYR B 787 -8.902 26.049 22.335 1.00 24.95 C ATOM 2241 O TYR B 787 -10.073 25.882 22.779 1.00 25.90 O ATOM 2242 CB TYR B 787 -7.442 24.091 22.908 1.00 26.62 C ATOM 2243 CG TYR B 787 -7.189 22.576 22.746 1.00 26.28 C ATOM 2244 CD1 TYR B 787 -8.150 21.675 23.034 1.00 26.28 C ATOM 2245 CD2 TYR B 787 -5.932 22.078 22.388 1.00 27.00 C ATOM 2246 CE1 TYR B 787 -7.921 20.319 22.937 1.00 24.98 C ATOM 2247 CE2 TYR B 787 -5.696 20.737 22.277 1.00 23.79 C ATOM 2248 CZ TYR B 787 -6.679 19.857 22.606 1.00 27.15 C ATOM 2249 OH TYR B 787 -6.441 18.519 22.613 1.00 26.05 O ATOM 0 H TYR B 787 -6.342 25.059 20.845 1.00 26.50 H new ATOM 0 HA TYR B 787 -8.765 24.249 21.317 1.00 27.46 H new ATOM 0 HB2 TYR B 787 -6.587 24.519 23.070 1.00 26.62 H new ATOM 0 HB3 TYR B 787 -7.979 24.218 23.706 1.00 26.62 H new ATOM 0 HD1 TYR B 787 -8.987 21.976 23.305 1.00 26.28 H new ATOM 0 HD2 TYR B 787 -5.239 22.675 22.221 1.00 27.00 H new ATOM 0 HE1 TYR B 787 -8.613 19.718 23.097 1.00 24.98 H new ATOM 0 HE2 TYR B 787 -4.871 20.429 21.979 1.00 23.79 H new ATOM 0 HH TYR B 787 -7.159 18.107 22.756 1.00 26.05 H new ATOM 2250 N CYS B 788 -8.319 27.225 22.237 1.00 23.45 N ATOM 2251 CA CYS B 788 -9.019 28.453 22.674 1.00 28.32 C ATOM 2252 C CYS B 788 -10.313 28.753 21.909 1.00 32.14 C ATOM 2253 O CYS B 788 -11.217 29.367 22.443 1.00 32.57 O ATOM 2254 CB CYS B 788 -8.107 29.683 22.637 1.00 25.55 C ATOM 2255 SG CYS B 788 -6.885 29.655 23.974 1.00 30.19 S ATOM 0 H CYS B 788 -7.527 27.351 21.926 1.00 23.45 H new ATOM 0 HA CYS B 788 -9.271 28.264 23.592 1.00 28.32 H new ATOM 0 HB2 CYS B 788 -7.650 29.721 21.782 1.00 25.55 H new ATOM 0 HB3 CYS B 788 -8.645 30.487 22.707 1.00 25.55 H new ATOM 0 HG CYS B 788 -6.112 28.756 23.791 1.00 30.19 H new ATOM 2256 N ASP B 789 -10.404 28.277 20.676 1.00 32.08 N ATOM 2257 CA ASP B 789 -11.566 28.481 19.858 1.00 31.19 C ATOM 2258 C ASP B 789 -12.619 27.534 20.245 1.00 30.68 C ATOM 2259 O ASP B 789 -12.368 26.358 20.378 1.00 26.58 O ATOM 2260 CB ASP B 789 -11.254 28.306 18.357 1.00 33.97 C ATOM 2261 CG ASP B 789 -12.347 28.955 17.518 1.00 38.67 C ATOM 2262 OD1 ASP B 789 -13.420 28.356 17.401 1.00 33.35 O ATOM 2263 OD2 ASP B 789 -12.185 30.137 17.176 1.00 43.47 O ATOM 0 H ASP B 789 -9.782 27.823 20.294 1.00 32.08 H new ATOM 0 HA ASP B 789 -11.864 29.393 19.999 1.00 31.19 H new ATOM 0 HB2 ASP B 789 -10.395 28.706 18.149 1.00 33.97 H new ATOM 0 HB3 ASP B 789 -11.187 27.363 18.141 1.00 33.97 H new ATOM 2264 N SER B 790 -13.857 27.983 20.396 1.00 30.85 N ATOM 2265 CA SER B 790 -14.838 27.061 20.965 1.00 33.03 C ATOM 2266 C SER B 790 -15.205 26.041 19.891 1.00 32.43 C ATOM 2267 O SER B 790 -15.719 24.999 20.221 1.00 32.70 O ATOM 2268 CB SER B 790 -16.080 27.811 21.436 1.00 39.67 C ATOM 2269 OG SER B 790 -16.535 28.526 20.315 1.00 52.36 O ATOM 0 H SER B 790 -14.142 28.768 20.191 1.00 30.85 H new ATOM 0 HA SER B 790 -14.460 26.613 21.738 1.00 33.03 H new ATOM 0 HB2 SER B 790 -16.758 27.196 21.757 1.00 39.67 H new ATOM 0 HB3 SER B 790 -15.869 28.409 22.170 1.00 39.67 H new ATOM 0 HG SER B 790 -17.225 28.960 20.520 1.00 52.36 H new ATOM 2270 N LYS B 791 -14.905 26.302 18.607 1.00 29.54 N ATOM 2271 CA LYS B 791 -15.165 25.268 17.575 1.00 31.35 C ATOM 2272 C LYS B 791 -14.195 24.096 17.621 1.00 30.60 C ATOM 2273 O LYS B 791 -14.441 23.043 17.020 1.00 29.63 O ATOM 2274 CB LYS B 791 -15.156 25.909 16.197 1.00 35.64 C ATOM 2275 CG LYS B 791 -16.353 26.847 15.925 1.00 37.07 C ATOM 2276 CD LYS B 791 -16.012 27.832 14.794 1.00 44.86 C ATOM 2277 CE LYS B 791 -17.151 28.797 14.519 1.00 49.34 C ATOM 2278 NZ LYS B 791 -18.287 28.130 13.830 1.00 45.41 N ATOM 0 H LYS B 791 -14.565 27.037 18.318 1.00 29.54 H new ATOM 0 HA LYS B 791 -16.040 24.896 17.768 1.00 31.35 H new ATOM 0 HB2 LYS B 791 -14.334 26.412 16.091 1.00 35.64 H new ATOM 0 HB3 LYS B 791 -15.148 25.209 15.526 1.00 35.64 H new ATOM 0 HG2 LYS B 791 -17.133 26.324 15.683 1.00 37.07 H new ATOM 0 HG3 LYS B 791 -16.579 27.336 16.732 1.00 37.07 H new ATOM 0 HD2 LYS B 791 -15.215 28.332 15.031 1.00 44.86 H new ATOM 0 HD3 LYS B 791 -15.806 27.337 13.986 1.00 44.86 H new ATOM 0 HE2 LYS B 791 -17.460 29.179 15.355 1.00 49.34 H new ATOM 0 HE3 LYS B 791 -16.828 29.531 13.973 1.00 49.34 H new ATOM 0 HZ1 LYS B 791 -18.992 28.673 13.826 1.00 45.41 H new ATOM 0 HZ2 LYS B 791 -18.056 27.939 12.992 1.00 45.41 H new ATOM 0 HZ3 LYS B 791 -18.494 27.378 14.259 1.00 45.41 H new ATOM 2279 N SER B 792 -13.117 24.244 18.382 1.00 28.64 N ATOM 2280 CA SER B 792 -12.176 23.121 18.624 1.00 26.55 C ATOM 2281 C SER B 792 -12.831 21.863 19.203 1.00 28.50 C ATOM 2282 O SER B 792 -12.276 20.747 19.051 1.00 28.52 O ATOM 2283 CB SER B 792 -11.009 23.585 19.503 1.00 28.71 C ATOM 2284 OG SER B 792 -11.378 23.853 20.856 1.00 27.44 O ATOM 0 H SER B 792 -12.901 24.979 18.772 1.00 28.64 H new ATOM 0 HA SER B 792 -11.844 22.858 17.751 1.00 26.55 H new ATOM 0 HB2 SER B 792 -10.318 22.905 19.494 1.00 28.71 H new ATOM 0 HB3 SER B 792 -10.623 24.387 19.117 1.00 28.71 H new ATOM 0 HG SER B 792 -11.717 24.620 20.908 1.00 27.44 H new ATOM 2285 N CYS B 793 -14.026 22.011 19.816 1.00 28.60 N ATOM 2286 CA CYS B 793 -14.718 20.864 20.444 1.00 32.57 C ATOM 2287 C CYS B 793 -14.977 19.778 19.446 1.00 32.62 C ATOM 2288 O CYS B 793 -14.924 18.591 19.805 1.00 33.18 O ATOM 2289 CB CYS B 793 -16.049 21.287 21.141 1.00 35.64 C ATOM 2290 SG CYS B 793 -17.296 21.893 19.971 1.00 38.48 S ATOM 0 H CYS B 793 -14.446 22.759 19.878 1.00 28.60 H new ATOM 0 HA CYS B 793 -14.124 20.522 21.130 1.00 32.57 H new ATOM 0 HB2 CYS B 793 -16.409 20.529 21.627 1.00 35.64 H new ATOM 0 HB3 CYS B 793 -15.861 21.979 21.794 1.00 35.64 H new ATOM 0 HG CYS B 793 -17.107 23.058 19.752 1.00 38.48 H new ATOM 2291 N PHE B 794 -15.245 20.185 18.179 1.00 29.68 N ATOM 2292 CA PHE B 794 -15.550 19.222 17.130 1.00 26.25 C ATOM 2293 C PHE B 794 -14.372 18.349 16.763 1.00 26.26 C ATOM 2294 O PHE B 794 -14.563 17.289 16.180 1.00 25.65 O ATOM 2295 CB PHE B 794 -16.082 19.905 15.850 1.00 29.48 C ATOM 2296 CG PHE B 794 -17.421 20.638 16.028 1.00 28.23 C ATOM 2297 CD1 PHE B 794 -18.577 19.935 16.301 1.00 28.08 C ATOM 2298 CD2 PHE B 794 -17.481 22.043 15.946 1.00 29.24 C ATOM 2299 CE1 PHE B 794 -19.808 20.582 16.459 1.00 28.32 C ATOM 2300 CE2 PHE B 794 -18.723 22.714 16.134 1.00 31.17 C ATOM 2301 CZ PHE B 794 -19.876 21.977 16.401 1.00 27.32 C ATOM 0 H PHE B 794 -15.251 21.007 17.925 1.00 29.68 H new ATOM 0 HA PHE B 794 -16.243 18.657 17.507 1.00 26.25 H new ATOM 0 HB2 PHE B 794 -15.419 20.539 15.536 1.00 29.48 H new ATOM 0 HB3 PHE B 794 -16.183 19.234 15.157 1.00 29.48 H new ATOM 0 HD1 PHE B 794 -18.537 19.009 16.382 1.00 28.08 H new ATOM 0 HD2 PHE B 794 -16.710 22.532 15.769 1.00 29.24 H new ATOM 0 HE1 PHE B 794 -20.580 20.084 16.602 1.00 28.32 H new ATOM 0 HE2 PHE B 794 -18.765 23.641 16.079 1.00 31.17 H new ATOM 0 HZ PHE B 794 -20.686 22.411 16.540 1.00 27.32 H new ATOM 2302 N PHE B 795 -13.169 18.818 17.048 1.00 27.96 N ATOM 2303 CA PHE B 795 -11.908 18.180 16.611 1.00 27.09 C ATOM 2304 C PHE B 795 -11.042 17.571 17.738 1.00 29.59 C ATOM 2305 O PHE B 795 -9.951 17.081 17.443 1.00 28.77 O ATOM 2306 CB PHE B 795 -11.097 19.250 15.891 1.00 28.21 C ATOM 2307 CG PHE B 795 -11.818 19.799 14.706 1.00 32.28 C ATOM 2308 CD1 PHE B 795 -11.957 19.011 13.543 1.00 30.42 C ATOM 2309 CD2 PHE B 795 -12.423 21.048 14.744 1.00 33.11 C ATOM 2310 CE1 PHE B 795 -12.697 19.475 12.457 1.00 32.66 C ATOM 2311 CE2 PHE B 795 -13.150 21.509 13.648 1.00 32.89 C ATOM 2312 CZ PHE B 795 -13.301 20.730 12.518 1.00 31.94 C ATOM 0 H PHE B 795 -13.046 19.532 17.511 1.00 27.96 H new ATOM 0 HA PHE B 795 -12.152 17.427 16.050 1.00 27.09 H new ATOM 0 HB2 PHE B 795 -10.895 19.971 16.508 1.00 28.21 H new ATOM 0 HB3 PHE B 795 -10.249 18.875 15.607 1.00 28.21 H new ATOM 0 HD1 PHE B 795 -11.551 18.175 13.501 1.00 30.42 H new ATOM 0 HD2 PHE B 795 -12.343 21.579 15.503 1.00 33.11 H new ATOM 0 HE1 PHE B 795 -12.787 18.950 11.695 1.00 32.66 H new ATOM 0 HE2 PHE B 795 -13.539 22.353 13.678 1.00 32.89 H new ATOM 0 HZ PHE B 795 -13.804 21.041 11.800 1.00 31.94 H new ATOM 2313 N ALA B 796 -11.496 17.658 19.000 1.00 27.27 N ATOM 2314 CA ALA B 796 -10.737 17.286 20.208 1.00 25.57 C ATOM 2315 C ALA B 796 -10.591 15.804 20.408 1.00 26.10 C ATOM 2316 O ALA B 796 -9.509 15.356 20.655 1.00 26.56 O ATOM 2317 CB ALA B 796 -11.362 17.917 21.482 1.00 27.81 C ATOM 0 H ALA B 796 -12.285 17.947 19.181 1.00 27.27 H new ATOM 0 HA ALA B 796 -9.846 17.642 20.062 1.00 25.57 H new ATOM 0 HB1 ALA B 796 -10.844 17.657 22.260 1.00 27.81 H new ATOM 0 HB2 ALA B 796 -11.358 18.884 21.400 1.00 27.81 H new ATOM 0 HB3 ALA B 796 -12.275 17.606 21.583 1.00 27.81 H new ATOM 2318 N SER B 797 -11.675 15.058 20.308 1.00 27.88 N ATOM 2319 CA SER B 797 -11.716 13.630 20.552 1.00 32.94 C ATOM 2320 C SER B 797 -11.727 12.840 19.278 1.00 34.54 C ATOM 2321 O SER B 797 -11.860 13.401 18.208 1.00 32.91 O ATOM 2322 CB SER B 797 -12.981 13.277 21.336 1.00 34.09 C ATOM 2323 OG SER B 797 -12.933 13.994 22.524 1.00 43.36 O ATOM 0 H SER B 797 -12.440 15.383 20.087 1.00 27.88 H new ATOM 0 HA SER B 797 -10.917 13.404 21.053 1.00 32.94 H new ATOM 0 HB2 SER B 797 -13.775 13.506 20.828 1.00 34.09 H new ATOM 0 HB3 SER B 797 -13.022 12.324 21.511 1.00 34.09 H new ATOM 0 HG SER B 797 -13.617 13.825 22.982 1.00 43.36 H new ATOM 2324 N GLU B 798 -11.583 11.521 19.417 1.00 32.58 N ATOM 2325 CA GLU B 798 -11.577 10.591 18.277 1.00 37.96 C ATOM 2326 C GLU B 798 -12.904 10.746 17.528 1.00 44.17 C ATOM 2327 O GLU B 798 -13.983 10.678 18.149 1.00 43.61 O ATOM 2328 CB GLU B 798 -11.447 9.162 18.748 1.00 36.19 C ATOM 2329 CG GLU B 798 -11.099 8.162 17.674 1.00 47.55 C ATOM 2330 CD GLU B 798 -10.646 6.819 18.237 1.00 50.24 C ATOM 2331 OE1 GLU B 798 -10.145 6.039 17.440 1.00 54.79 O ATOM 2332 OE2 GLU B 798 -10.780 6.532 19.453 1.00 52.45 O ATOM 0 H GLU B 798 -11.485 11.135 20.179 1.00 32.58 H new ATOM 0 HA GLU B 798 -10.823 10.796 17.702 1.00 37.96 H new ATOM 0 HB2 GLU B 798 -10.766 9.124 19.438 1.00 36.19 H new ATOM 0 HB3 GLU B 798 -12.283 8.895 19.160 1.00 36.19 H new ATOM 0 HG2 GLU B 798 -11.872 8.024 17.104 1.00 47.55 H new ATOM 0 HG3 GLU B 798 -10.395 8.527 17.115 1.00 47.55 H new ATOM 2333 N PRO B 799 -12.836 11.000 16.222 1.00 44.87 N ATOM 2334 CA PRO B 799 -14.087 11.127 15.534 1.00 53.12 C ATOM 2335 C PRO B 799 -14.710 9.754 15.332 1.00 52.21 C ATOM 2336 O PRO B 799 -14.008 8.718 15.294 1.00 44.51 O ATOM 2337 CB PRO B 799 -13.706 11.807 14.213 1.00 56.81 C ATOM 2338 CG PRO B 799 -12.262 11.568 14.038 1.00 52.26 C ATOM 2339 CD PRO B 799 -11.692 11.013 15.303 1.00 48.76 C ATOM 0 HA PRO B 799 -14.754 11.641 16.016 1.00 53.12 H new ATOM 0 HB2 PRO B 799 -14.212 11.437 13.473 1.00 56.81 H new ATOM 0 HB3 PRO B 799 -13.900 12.757 14.242 1.00 56.81 H new ATOM 0 HG2 PRO B 799 -12.113 10.949 13.306 1.00 52.26 H new ATOM 0 HG3 PRO B 799 -11.813 12.396 13.805 1.00 52.26 H new ATOM 0 HD2 PRO B 799 -11.331 10.123 15.171 1.00 48.76 H new ATOM 0 HD3 PRO B 799 -10.969 11.565 15.641 1.00 48.76 H new ATOM 2340 N TYR B 800 -16.040 9.774 15.308 1.00 58.96 N ATOM 2341 CA TYR B 800 -16.827 8.659 14.827 1.00 70.44 C ATOM 2342 C TYR B 800 -17.102 8.850 13.317 1.00 77.94 C ATOM 2343 O TYR B 800 -17.535 9.948 12.860 1.00 75.68 O ATOM 2344 CB TYR B 800 -18.143 8.618 15.559 1.00 75.98 C ATOM 2345 CG TYR B 800 -18.948 7.437 15.153 1.00 92.46 C ATOM 2346 CD1 TYR B 800 -18.498 6.156 15.443 1.00100.01 C ATOM 2347 CD2 TYR B 800 -20.154 7.584 14.463 1.00103.63 C ATOM 2348 CE1 TYR B 800 -19.230 5.054 15.085 1.00106.06 C ATOM 2349 CE2 TYR B 800 -20.896 6.477 14.086 1.00110.11 C ATOM 2350 CZ TYR B 800 -20.426 5.212 14.403 1.00111.34 C ATOM 2351 OH TYR B 800 -21.149 4.107 14.045 1.00122.70 O ATOM 0 H TYR B 800 -16.509 10.444 15.574 1.00 58.96 H new ATOM 0 HA TYR B 800 -16.343 7.832 14.978 1.00 70.44 H new ATOM 0 HB2 TYR B 800 -17.983 8.590 16.515 1.00 75.98 H new ATOM 0 HB3 TYR B 800 -18.642 9.430 15.378 1.00 75.98 H new ATOM 0 HD1 TYR B 800 -17.688 6.044 15.887 1.00100.01 H new ATOM 0 HD2 TYR B 800 -20.462 8.436 14.254 1.00103.63 H new ATOM 0 HE1 TYR B 800 -18.925 4.202 15.299 1.00106.06 H new ATOM 0 HE2 TYR B 800 -21.698 6.581 13.627 1.00110.11 H new ATOM 0 HH TYR B 800 -21.846 4.346 13.642 1.00122.70 H new ATOM 2352 N TYR B 801 -16.849 7.796 12.545 1.00 67.96 N ATOM 2353 CA TYR B 801 -17.172 7.810 11.121 1.00 71.95 C ATOM 2354 C TYR B 801 -18.197 6.688 10.712 1.00 84.66 C ATOM 2355 O TYR B 801 -19.434 6.843 10.900 1.00 78.33 O ATOM 2356 CB TYR B 801 -15.879 7.727 10.313 1.00 60.78 C ATOM 2357 CG TYR B 801 -14.959 8.894 10.438 1.00 51.65 C ATOM 2358 CD1 TYR B 801 -15.403 10.198 10.244 1.00 46.21 C ATOM 2359 CD2 TYR B 801 -13.605 8.685 10.722 1.00 60.46 C ATOM 2360 CE1 TYR B 801 -14.541 11.270 10.304 1.00 44.60 C ATOM 2361 CE2 TYR B 801 -12.722 9.759 10.815 1.00 52.32 C ATOM 2362 CZ TYR B 801 -13.200 11.032 10.604 1.00 46.73 C ATOM 2363 OH TYR B 801 -12.321 12.045 10.725 1.00 48.24 O ATOM 0 H TYR B 801 -16.492 7.065 12.825 1.00 67.96 H new ATOM 0 HA TYR B 801 -17.621 8.646 10.921 1.00 71.95 H new ATOM 0 HB2 TYR B 801 -15.399 6.928 10.583 1.00 60.78 H new ATOM 0 HB3 TYR B 801 -16.109 7.617 9.377 1.00 60.78 H new ATOM 0 HD1 TYR B 801 -16.304 10.349 10.070 1.00 46.21 H new ATOM 0 HD2 TYR B 801 -13.291 7.819 10.850 1.00 60.46 H new ATOM 0 HE1 TYR B 801 -14.847 12.134 10.148 1.00 44.60 H new ATOM 0 HE2 TYR B 801 -11.825 9.618 11.016 1.00 52.32 H new ATOM 0 HH TYR B 801 -12.641 12.635 11.231 1.00 48.24 H new ATOM 2364 N ASN B 802 -17.658 5.584 10.171 1.00 87.98 N ATOM 2365 CA ASN B 802 -18.389 4.471 9.590 1.00 91.59 C ATOM 2366 C ASN B 802 -18.009 3.289 10.507 1.00102.51 C ATOM 2367 O ASN B 802 -17.139 2.496 10.137 1.00110.72 O ATOM 2368 CB ASN B 802 -17.897 4.202 8.114 1.00 87.65 C ATOM 2369 CG ASN B 802 -17.959 5.452 7.165 1.00 68.35 C ATOM 2370 OD1 ASN B 802 -19.004 6.037 6.987 1.00 63.02 O ATOM 2371 ND2 ASN B 802 -16.844 5.796 6.508 1.00 56.45 N ATOM 0 H ASN B 802 -16.807 5.468 10.136 1.00 87.98 H new ATOM 0 HA ASN B 802 -19.345 4.624 9.537 1.00 91.59 H new ATOM 0 HB2 ASN B 802 -16.983 3.879 8.144 1.00 87.65 H new ATOM 0 HB3 ASN B 802 -18.436 3.493 7.730 1.00 87.65 H new ATOM 0 HD21 ASN B 802 -16.860 6.446 5.945 1.00 56.45 H new ATOM 0 HD22 ASN B 802 -16.112 5.367 6.649 1.00 56.45 H new ATOM 2372 N ARG B 803 -18.586 3.197 11.715 1.00119.17 N ATOM 2373 CA ARG B 803 -18.121 2.191 12.708 1.00127.43 C ATOM 2374 C ARG B 803 -18.497 0.780 12.280 1.00131.17 C ATOM 2375 O ARG B 803 -19.681 0.497 12.129 1.00127.91 O ATOM 2376 CB ARG B 803 -18.680 2.399 14.109 1.00119.74 C ATOM 0 H ARG B 803 -19.235 3.694 11.982 1.00119.17 H new ATOM 0 HA ARG B 803 -17.159 2.310 12.738 1.00127.43 H new ATOM 2377 N GLU B 804 -17.521 -0.110 12.080 1.00141.02 N ATOM 2378 CA GLU B 804 -16.079 0.195 12.104 1.00131.92 C ATOM 2379 C GLU B 804 -15.403 -0.559 10.963 1.00126.99 C ATOM 2380 O GLU B 804 -15.186 0.026 9.896 1.00130.01 O ATOM 2381 CB GLU B 804 -15.451 -0.111 13.477 1.00124.67 C ATOM 0 H GLU B 804 -17.683 -0.939 11.920 1.00141.02 H new ATOM 0 HA GLU B 804 -15.944 1.146 11.970 1.00131.92 H new ATOM 2382 N GLY B 805 -15.110 -1.847 11.156 1.00126.37 N ATOM 2383 CA GLY B 805 -14.242 -2.578 10.235 1.00124.57 C ATOM 2384 C GLY B 805 -12.991 -1.745 9.984 1.00128.09 C ATOM 2385 O GLY B 805 -12.435 -1.159 10.925 1.00132.99 O ATOM 0 H GLY B 805 -15.405 -2.314 11.815 1.00126.37 H new ATOM 0 HA2 GLY B 805 -14.003 -3.440 10.610 1.00124.57 H new ATOM 0 HA3 GLY B 805 -14.705 -2.750 9.400 1.00124.57 H new ATOM 2386 N SER B 806 -12.573 -1.672 8.718 1.00130.12 N ATOM 2387 CA SER B 806 -11.494 -0.775 8.276 1.00122.16 C ATOM 2388 C SER B 806 -12.002 0.463 7.476 1.00123.15 C ATOM 2389 O SER B 806 -11.186 1.148 6.848 1.00122.19 O ATOM 2390 CB SER B 806 -10.452 -1.562 7.457 1.00112.96 C ATOM 0 H SER B 806 -12.910 -2.145 8.084 1.00130.12 H new ATOM 0 HA SER B 806 -11.080 -0.423 9.079 1.00122.16 H new ATOM 2391 N GLN B 807 -13.307 0.789 7.546 1.00114.48 N ATOM 2392 CA GLN B 807 -13.892 1.928 6.776 1.00102.41 C ATOM 2393 C GLN B 807 -13.575 3.365 7.318 1.00 81.53 C ATOM 2394 O GLN B 807 -14.188 4.344 6.880 1.00 73.66 O ATOM 2395 CB GLN B 807 -15.413 1.728 6.585 1.00101.25 C ATOM 0 H GLN B 807 -13.877 0.366 8.032 1.00114.48 H new ATOM 0 HA GLN B 807 -13.439 1.899 5.919 1.00102.41 H new ATOM 2396 N GLY B 808 -12.646 3.486 8.276 1.00 65.01 N ATOM 2397 CA GLY B 808 -12.046 4.765 8.652 1.00 56.67 C ATOM 2398 C GLY B 808 -10.973 5.250 7.660 1.00 48.54 C ATOM 2399 O GLY B 808 -10.569 4.523 6.735 1.00 51.68 O ATOM 0 H GLY B 808 -12.347 2.818 8.728 1.00 65.01 H new ATOM 0 HA2 GLY B 808 -12.744 5.436 8.717 1.00 56.67 H new ATOM 0 HA3 GLY B 808 -11.649 4.682 9.533 1.00 56.67 H new ATOM 2400 N PRO B 809 -10.500 6.484 7.840 1.00 43.77 N ATOM 2401 CA PRO B 809 -9.556 7.076 6.895 1.00 46.98 C ATOM 2402 C PRO B 809 -8.171 6.478 7.031 1.00 54.06 C ATOM 2403 O PRO B 809 -7.921 5.633 7.952 1.00 51.32 O ATOM 2404 CB PRO B 809 -9.513 8.563 7.316 1.00 43.19 C ATOM 2405 CG PRO B 809 -9.749 8.516 8.782 1.00 47.18 C ATOM 2406 CD PRO B 809 -10.710 7.362 9.013 1.00 51.57 C ATOM 0 HA PRO B 809 -9.826 6.928 5.975 1.00 46.98 H new ATOM 0 HB2 PRO B 809 -8.658 8.969 7.105 1.00 43.19 H new ATOM 0 HB3 PRO B 809 -10.194 9.083 6.861 1.00 43.19 H new ATOM 0 HG2 PRO B 809 -8.918 8.378 9.263 1.00 47.18 H new ATOM 0 HG3 PRO B 809 -10.126 9.351 9.100 1.00 47.18 H new ATOM 0 HD2 PRO B 809 -10.516 6.899 9.843 1.00 51.57 H new ATOM 0 HD3 PRO B 809 -11.628 7.669 9.067 1.00 51.57 H new ATOM 2407 N GLN B 810 -7.277 6.959 6.160 1.00 52.29 N ATOM 2408 CA GLN B 810 -5.945 6.401 6.076 1.00 65.61 C ATOM 2409 C GLN B 810 -5.194 6.600 7.399 1.00 61.81 C ATOM 2410 O GLN B 810 -4.596 5.654 7.930 1.00 66.15 O ATOM 2411 CB GLN B 810 -5.178 7.008 4.918 1.00 76.47 C ATOM 2412 CG GLN B 810 -3.946 6.200 4.556 1.00 88.77 C ATOM 2413 CD GLN B 810 -2.864 7.074 3.975 1.00 95.84 C ATOM 2414 OE1 GLN B 810 -2.275 7.908 4.675 1.00 98.49 O ATOM 2415 NE2 GLN B 810 -2.600 6.901 2.690 1.00 96.29 N ATOM 0 H GLN B 810 -7.431 7.606 5.615 1.00 52.29 H new ATOM 0 HA GLN B 810 -6.023 5.448 5.913 1.00 65.61 H new ATOM 0 HB2 GLN B 810 -5.760 7.070 4.145 1.00 76.47 H new ATOM 0 HB3 GLN B 810 -4.913 7.913 5.147 1.00 76.47 H new ATOM 0 HG2 GLN B 810 -3.610 5.749 5.346 1.00 88.77 H new ATOM 0 HG3 GLN B 810 -4.186 5.511 3.916 1.00 88.77 H new ATOM 0 HE21 GLN B 810 -3.032 6.310 2.238 1.00 96.29 H new ATOM 0 HE22 GLN B 810 -1.997 7.379 2.307 1.00 96.29 H new ATOM 2416 N LYS B 811 -5.254 7.804 7.947 1.00 44.77 N ATOM 2417 CA LYS B 811 -4.753 8.015 9.291 1.00 42.62 C ATOM 2418 C LYS B 811 -5.680 8.978 10.062 1.00 38.08 C ATOM 2419 O LYS B 811 -5.702 10.171 9.759 1.00 32.05 O ATOM 2420 CB LYS B 811 -3.340 8.586 9.214 1.00 45.68 C ATOM 2421 CG LYS B 811 -2.671 8.829 10.563 1.00 44.93 C ATOM 2422 CD LYS B 811 -1.280 9.367 10.318 1.00 47.19 C ATOM 2423 CE LYS B 811 -0.705 9.882 11.614 1.00 51.61 C ATOM 2424 NZ LYS B 811 0.643 10.478 11.418 1.00 58.63 N ATOM 0 H LYS B 811 -5.577 8.502 7.563 1.00 44.77 H new ATOM 0 HA LYS B 811 -4.733 7.169 9.765 1.00 42.62 H new ATOM 0 HB2 LYS B 811 -2.787 7.978 8.698 1.00 45.68 H new ATOM 0 HB3 LYS B 811 -3.370 9.424 8.727 1.00 45.68 H new ATOM 0 HG2 LYS B 811 -3.189 9.460 11.087 1.00 44.93 H new ATOM 0 HG3 LYS B 811 -2.629 8.004 11.072 1.00 44.93 H new ATOM 0 HD2 LYS B 811 -0.712 8.669 9.955 1.00 47.19 H new ATOM 0 HD3 LYS B 811 -1.309 10.079 9.660 1.00 47.19 H new ATOM 0 HE2 LYS B 811 -1.302 10.547 11.991 1.00 51.61 H new ATOM 0 HE3 LYS B 811 -0.648 9.156 12.255 1.00 51.61 H new ATOM 0 HZ1 LYS B 811 0.991 10.692 12.209 1.00 58.63 H new ATOM 0 HZ2 LYS B 811 1.172 9.889 11.011 1.00 58.63 H new ATOM 0 HZ3 LYS B 811 0.574 11.210 10.916 1.00 58.63 H new ATOM 2425 N PRO B 812 -6.437 8.465 11.022 1.00 33.87 N ATOM 2426 CA PRO B 812 -7.277 9.339 11.795 1.00 38.37 C ATOM 2427 C PRO B 812 -6.441 10.214 12.739 1.00 39.28 C ATOM 2428 O PRO B 812 -5.340 9.824 13.158 1.00 37.41 O ATOM 2429 CB PRO B 812 -8.207 8.378 12.568 1.00 41.63 C ATOM 2430 CG PRO B 812 -7.543 7.088 12.530 1.00 40.46 C ATOM 2431 CD PRO B 812 -6.677 7.054 11.324 1.00 39.13 C ATOM 0 HA PRO B 812 -7.776 9.965 11.247 1.00 38.37 H new ATOM 0 HB2 PRO B 812 -8.338 8.677 13.481 1.00 41.63 H new ATOM 0 HB3 PRO B 812 -9.084 8.332 12.156 1.00 41.63 H new ATOM 0 HG2 PRO B 812 -7.013 6.955 13.332 1.00 40.46 H new ATOM 0 HG3 PRO B 812 -8.196 6.371 12.499 1.00 40.46 H new ATOM 0 HD2 PRO B 812 -5.848 6.581 11.495 1.00 39.13 H new ATOM 0 HD3 PRO B 812 -7.114 6.602 10.585 1.00 39.13 H new ATOM 2432 N MET B 813 -6.954 11.403 13.018 1.00 33.59 N ATOM 2433 CA MET B 813 -6.241 12.399 13.829 1.00 32.21 C ATOM 2434 C MET B 813 -7.231 13.341 14.567 1.00 31.40 C ATOM 2435 O MET B 813 -8.342 13.666 14.068 1.00 29.76 O ATOM 2436 CB MET B 813 -5.267 13.170 12.956 1.00 29.63 C ATOM 2437 CG MET B 813 -4.228 13.990 13.738 1.00 30.03 C ATOM 2438 SD MET B 813 -3.298 13.034 15.015 1.00 30.18 S ATOM 2439 CE MET B 813 -2.530 11.794 13.941 1.00 32.81 C ATOM 0 H MET B 813 -7.727 11.663 12.745 1.00 33.59 H new ATOM 0 HA MET B 813 -5.734 11.939 14.516 1.00 32.21 H new ATOM 0 HB2 MET B 813 -4.802 12.545 12.379 1.00 29.63 H new ATOM 0 HB3 MET B 813 -5.769 13.768 12.380 1.00 29.63 H new ATOM 0 HG2 MET B 813 -3.594 14.370 13.110 1.00 30.03 H new ATOM 0 HG3 MET B 813 -4.678 14.732 14.171 1.00 30.03 H new ATOM 0 HE1 MET B 813 -1.629 11.611 14.251 1.00 32.81 H new ATOM 0 HE2 MET B 813 -3.052 10.977 13.965 1.00 32.81 H new ATOM 0 HE3 MET B 813 -2.497 12.129 13.031 1.00 32.81 H new ATOM 2440 N TRP B 814 -6.863 13.689 15.792 1.00 28.16 N ATOM 2441 CA TRP B 814 -7.643 14.605 16.598 1.00 26.71 C ATOM 2442 C TRP B 814 -6.762 15.400 17.558 1.00 26.89 C ATOM 2443 O TRP B 814 -5.619 15.045 17.784 1.00 24.20 O ATOM 2444 CB TRP B 814 -8.772 13.861 17.311 1.00 26.89 C ATOM 2445 CG TRP B 814 -8.404 12.720 18.142 1.00 29.58 C ATOM 2446 CD1 TRP B 814 -8.284 12.753 19.471 1.00 29.97 C ATOM 2447 CD2 TRP B 814 -8.113 11.378 17.740 1.00 30.43 C ATOM 2448 NE1 TRP B 814 -7.918 11.548 19.937 1.00 33.18 N ATOM 2449 CE2 TRP B 814 -7.819 10.670 18.900 1.00 31.55 C ATOM 2450 CE3 TRP B 814 -8.071 10.705 16.506 1.00 34.76 C ATOM 2451 CZ2 TRP B 814 -7.448 9.298 18.903 1.00 35.70 C ATOM 2452 CZ3 TRP B 814 -7.735 9.335 16.479 1.00 34.08 C ATOM 2453 CH2 TRP B 814 -7.423 8.645 17.677 1.00 39.80 C ATOM 0 H TRP B 814 -6.151 13.398 16.178 1.00 28.16 H new ATOM 0 HA TRP B 814 -8.054 15.258 16.010 1.00 26.71 H new ATOM 0 HB2 TRP B 814 -9.245 14.498 17.869 1.00 26.89 H new ATOM 0 HB3 TRP B 814 -9.399 13.552 16.638 1.00 26.89 H new ATOM 0 HD1 TRP B 814 -8.433 13.504 19.999 1.00 29.97 H new ATOM 0 HE1 TRP B 814 -7.769 11.360 20.763 1.00 33.18 H new ATOM 0 HE3 TRP B 814 -8.263 11.158 15.717 1.00 34.76 H new ATOM 0 HZ2 TRP B 814 -7.231 8.856 19.692 1.00 35.70 H new ATOM 0 HZ3 TRP B 814 -7.718 8.881 15.668 1.00 34.08 H new ATOM 0 HH2 TRP B 814 -7.199 7.743 17.642 1.00 39.80 H new ATOM 2454 N LEU B 815 -7.295 16.496 18.104 1.00 23.06 N ATOM 2455 CA LEU B 815 -6.490 17.347 18.849 1.00 24.14 C ATOM 2456 C LEU B 815 -5.885 16.644 20.089 1.00 24.96 C ATOM 2457 O LEU B 815 -4.683 16.742 20.296 1.00 22.56 O ATOM 2458 CB LEU B 815 -7.193 18.620 19.237 1.00 23.68 C ATOM 2459 CG LEU B 815 -7.600 19.485 18.061 1.00 25.12 C ATOM 2460 CD1 LEU B 815 -8.505 20.610 18.574 1.00 26.31 C ATOM 2461 CD2 LEU B 815 -6.420 20.110 17.385 1.00 24.83 C ATOM 0 H LEU B 815 -8.119 16.732 18.035 1.00 23.06 H new ATOM 0 HA LEU B 815 -5.756 17.594 18.265 1.00 24.14 H new ATOM 0 HB2 LEU B 815 -7.985 18.397 19.751 1.00 23.68 H new ATOM 0 HB3 LEU B 815 -6.612 19.135 19.819 1.00 23.68 H new ATOM 0 HG LEU B 815 -8.055 18.918 17.418 1.00 25.12 H new ATOM 0 HD11 LEU B 815 -8.774 21.173 17.831 1.00 26.31 H new ATOM 0 HD12 LEU B 815 -9.293 20.227 18.991 1.00 26.31 H new ATOM 0 HD13 LEU B 815 -8.022 21.143 19.225 1.00 26.31 H new ATOM 0 HD21 LEU B 815 -6.723 20.653 16.641 1.00 24.83 H new ATOM 0 HD22 LEU B 815 -5.942 20.668 18.018 1.00 24.83 H new ATOM 0 HD23 LEU B 815 -5.829 19.414 17.057 1.00 24.83 H new ATOM 2462 N ASN B 816 -6.682 15.917 20.851 1.00 24.81 N ATOM 2463 CA ASN B 816 -6.147 15.225 22.000 1.00 25.10 C ATOM 2464 C ASN B 816 -5.011 14.236 21.692 1.00 26.38 C ATOM 2465 O ASN B 816 -4.159 14.051 22.524 1.00 29.21 O ATOM 2466 CB ASN B 816 -7.257 14.522 22.738 1.00 25.04 C ATOM 2467 CG ASN B 816 -8.200 15.506 23.438 1.00 26.80 C ATOM 2468 OD1 ASN B 816 -7.963 16.720 23.516 1.00 27.12 O ATOM 2469 ND2 ASN B 816 -9.306 14.989 23.876 1.00 25.38 N ATOM 0 H ASN B 816 -7.526 15.813 20.721 1.00 24.81 H new ATOM 0 HA ASN B 816 -5.745 15.913 22.553 1.00 25.10 H new ATOM 0 HB2 ASN B 816 -7.764 13.978 22.115 1.00 25.04 H new ATOM 0 HB3 ASN B 816 -6.875 13.919 23.395 1.00 25.04 H new ATOM 0 HD21 ASN B 816 -9.904 15.493 24.235 1.00 25.38 H new ATOM 0 HD22 ASN B 816 -9.442 14.143 23.808 1.00 25.38 H new ATOM 2470 N LYS B 817 -5.013 13.636 20.503 1.00 28.00 N ATOM 2471 CA LYS B 817 -3.960 12.791 20.066 1.00 26.08 C ATOM 2472 C LYS B 817 -2.688 13.597 19.759 1.00 28.12 C ATOM 2473 O LYS B 817 -1.550 13.190 20.139 1.00 26.83 O ATOM 2474 CB LYS B 817 -4.397 11.987 18.885 1.00 30.73 C ATOM 2475 CG LYS B 817 -3.340 11.027 18.408 1.00 34.13 C ATOM 2476 CD LYS B 817 -3.881 10.049 17.405 1.00 40.10 C ATOM 2477 CE LYS B 817 -2.802 8.978 17.199 1.00 54.44 C ATOM 2478 NZ LYS B 817 -2.716 8.479 15.801 1.00 70.08 N ATOM 0 H LYS B 817 -5.649 13.723 19.931 1.00 28.00 H new ATOM 0 HA LYS B 817 -3.742 12.178 20.785 1.00 26.08 H new ATOM 0 HB2 LYS B 817 -5.198 11.491 19.115 1.00 30.73 H new ATOM 0 HB3 LYS B 817 -4.634 12.587 18.160 1.00 30.73 H new ATOM 0 HG2 LYS B 817 -2.608 11.524 18.011 1.00 34.13 H new ATOM 0 HG3 LYS B 817 -2.977 10.544 19.167 1.00 34.13 H new ATOM 0 HD2 LYS B 817 -4.705 9.649 17.725 1.00 40.10 H new ATOM 0 HD3 LYS B 817 -4.088 10.494 16.568 1.00 40.10 H new ATOM 0 HE2 LYS B 817 -1.941 9.343 17.457 1.00 54.44 H new ATOM 0 HE3 LYS B 817 -2.982 8.231 17.790 1.00 54.44 H new ATOM 0 HZ1 LYS B 817 -2.076 7.863 15.744 1.00 70.08 H new ATOM 0 HZ2 LYS B 817 -3.495 8.119 15.566 1.00 70.08 H new ATOM 0 HZ3 LYS B 817 -2.525 9.156 15.255 1.00 70.08 H new ATOM 2479 N VAL B 818 -2.840 14.751 19.116 1.00 25.98 N ATOM 2480 CA VAL B 818 -1.708 15.634 18.927 1.00 24.06 C ATOM 2481 C VAL B 818 -1.176 16.048 20.291 1.00 24.77 C ATOM 2482 O VAL B 818 0.037 16.081 20.492 1.00 25.85 O ATOM 2483 CB VAL B 818 -2.010 16.857 18.051 1.00 24.63 C ATOM 2484 CG1 VAL B 818 -0.787 17.738 17.915 1.00 24.94 C ATOM 2485 CG2 VAL B 818 -2.437 16.410 16.687 1.00 25.66 C ATOM 0 H VAL B 818 -3.582 15.034 18.787 1.00 25.98 H new ATOM 0 HA VAL B 818 -1.032 15.140 18.437 1.00 24.06 H new ATOM 0 HB VAL B 818 -2.720 17.364 18.475 1.00 24.63 H new ATOM 0 HG11 VAL B 818 -1.000 18.504 17.359 1.00 24.94 H new ATOM 0 HG12 VAL B 818 -0.509 18.044 18.793 1.00 24.94 H new ATOM 0 HG13 VAL B 818 -0.067 17.232 17.507 1.00 24.94 H new ATOM 0 HG21 VAL B 818 -2.627 17.186 16.137 1.00 25.66 H new ATOM 0 HG22 VAL B 818 -1.726 15.891 16.279 1.00 25.66 H new ATOM 0 HG23 VAL B 818 -3.235 15.863 16.760 1.00 25.66 H new ATOM 2486 N LYS B 819 -2.060 16.389 21.246 1.00 25.17 N ATOM 2487 CA LYS B 819 -1.575 16.821 22.541 1.00 25.58 C ATOM 2488 C LYS B 819 -0.697 15.719 23.229 1.00 21.74 C ATOM 2489 O LYS B 819 0.371 15.996 23.771 1.00 21.10 O ATOM 2490 CB LYS B 819 -2.758 17.188 23.443 1.00 26.39 C ATOM 2491 CG LYS B 819 -2.329 17.705 24.789 1.00 28.69 C ATOM 2492 CD LYS B 819 -3.489 17.940 25.746 1.00 32.42 C ATOM 2493 CE LYS B 819 -4.035 19.322 25.577 1.00 36.44 C ATOM 2494 NZ LYS B 819 -4.895 19.699 26.750 1.00 43.08 N ATOM 0 H LYS B 819 -2.915 16.374 21.157 1.00 25.17 H new ATOM 0 HA LYS B 819 -1.015 17.601 22.404 1.00 25.58 H new ATOM 0 HB2 LYS B 819 -3.300 17.860 23.001 1.00 26.39 H new ATOM 0 HB3 LYS B 819 -3.320 16.407 23.566 1.00 26.39 H new ATOM 0 HG2 LYS B 819 -1.712 17.072 25.189 1.00 28.69 H new ATOM 0 HG3 LYS B 819 -1.844 18.537 24.669 1.00 28.69 H new ATOM 0 HD2 LYS B 819 -4.188 17.288 25.582 1.00 32.42 H new ATOM 0 HD3 LYS B 819 -3.192 17.813 26.661 1.00 32.42 H new ATOM 0 HE2 LYS B 819 -3.305 19.955 25.488 1.00 36.44 H new ATOM 0 HE3 LYS B 819 -4.555 19.372 24.759 1.00 36.44 H new ATOM 0 HZ1 LYS B 819 -5.292 20.479 26.589 1.00 43.08 H new ATOM 0 HZ2 LYS B 819 -5.514 19.072 26.878 1.00 43.08 H new ATOM 0 HZ3 LYS B 819 -4.389 19.770 27.479 1.00 43.08 H new ATOM 2495 N THR B 820 -1.200 14.504 23.198 1.00 21.85 N ATOM 2496 CA THR B 820 -0.463 13.353 23.746 1.00 27.13 C ATOM 2497 C THR B 820 0.868 13.166 23.031 1.00 25.74 C ATOM 2498 O THR B 820 1.885 12.951 23.704 1.00 28.33 O ATOM 2499 CB THR B 820 -1.319 12.107 23.628 1.00 29.13 C ATOM 2500 OG1 THR B 820 -2.441 12.283 24.471 1.00 32.09 O ATOM 2501 CG2 THR B 820 -0.590 10.887 24.111 1.00 41.70 C ATOM 0 H THR B 820 -1.969 14.310 22.865 1.00 21.85 H new ATOM 0 HA THR B 820 -0.269 13.519 24.682 1.00 27.13 H new ATOM 0 HB THR B 820 -1.559 11.982 22.697 1.00 29.13 H new ATOM 0 HG1 THR B 820 -3.057 12.660 24.043 1.00 32.09 H new ATOM 0 HG21 THR B 820 -1.164 10.110 24.022 1.00 41.70 H new ATOM 0 HG22 THR B 820 0.212 10.758 23.581 1.00 41.70 H new ATOM 0 HG23 THR B 820 -0.346 11.003 25.043 1.00 41.70 H new ATOM 2502 N SER B 821 0.902 13.348 21.711 1.00 23.46 N ATOM 2503 CA SER B 821 2.113 13.129 20.971 1.00 26.14 C ATOM 2504 C SER B 821 3.189 14.141 21.308 1.00 31.45 C ATOM 2505 O SER B 821 4.401 13.791 21.433 1.00 28.57 O ATOM 2506 CB SER B 821 1.879 13.112 19.461 1.00 27.48 C ATOM 2507 OG SER B 821 1.075 12.018 19.147 1.00 27.91 O ATOM 0 H SER B 821 0.229 13.598 21.237 1.00 23.46 H new ATOM 0 HA SER B 821 2.424 12.251 21.243 1.00 26.14 H new ATOM 0 HB2 SER B 821 1.452 13.936 19.177 1.00 27.48 H new ATOM 0 HB3 SER B 821 2.725 13.054 18.990 1.00 27.48 H new ATOM 0 HG SER B 821 0.283 12.176 19.380 1.00 27.91 H new ATOM 2508 N LEU B 822 2.768 15.384 21.491 1.00 29.86 N ATOM 2509 CA LEU B 822 3.682 16.431 21.941 1.00 27.91 C ATOM 2510 C LEU B 822 4.229 16.207 23.334 1.00 28.83 C ATOM 2511 O LEU B 822 5.380 16.450 23.576 1.00 29.46 O ATOM 2512 CB LEU B 822 2.978 17.790 22.016 1.00 29.88 C ATOM 2513 CG LEU B 822 3.021 18.740 20.855 1.00 31.00 C ATOM 2514 CD1 LEU B 822 2.200 19.990 21.213 1.00 27.90 C ATOM 2515 CD2 LEU B 822 4.472 19.134 20.480 1.00 28.69 C ATOM 0 H LEU B 822 1.959 15.645 21.361 1.00 29.86 H new ATOM 0 HA LEU B 822 4.398 16.409 21.287 1.00 27.91 H new ATOM 0 HB2 LEU B 822 2.043 17.617 22.209 1.00 29.88 H new ATOM 0 HB3 LEU B 822 3.344 18.259 22.782 1.00 29.88 H new ATOM 0 HG LEU B 822 2.641 18.299 20.079 1.00 31.00 H new ATOM 0 HD11 LEU B 822 2.219 20.614 20.470 1.00 27.90 H new ATOM 0 HD12 LEU B 822 1.283 19.733 21.396 1.00 27.90 H new ATOM 0 HD13 LEU B 822 2.580 20.413 21.999 1.00 27.90 H new ATOM 0 HD21 LEU B 822 4.457 19.747 19.728 1.00 28.69 H new ATOM 0 HD22 LEU B 822 4.897 19.564 21.239 1.00 28.69 H new ATOM 0 HD23 LEU B 822 4.971 18.338 20.238 1.00 28.69 H new ATOM 2516 N ASN B 823 3.360 15.847 24.255 1.00 31.42 N ATOM 2517 CA ASN B 823 3.717 15.531 25.632 1.00 33.39 C ATOM 2518 C ASN B 823 4.727 14.341 25.662 1.00 34.92 C ATOM 2519 O ASN B 823 5.707 14.361 26.386 1.00 33.60 O ATOM 2520 CB ASN B 823 2.450 15.185 26.392 1.00 34.89 C ATOM 2521 CG ASN B 823 2.712 14.776 27.840 1.00 39.61 C ATOM 2522 OD1 ASN B 823 2.413 13.665 28.267 1.00 43.87 O ATOM 2523 ND2 ASN B 823 3.276 15.651 28.560 1.00 36.11 N ATOM 0 H ASN B 823 2.518 15.776 24.097 1.00 31.42 H new ATOM 0 HA ASN B 823 4.144 16.294 26.051 1.00 33.39 H new ATOM 0 HB2 ASN B 823 1.854 15.950 26.381 1.00 34.89 H new ATOM 0 HB3 ASN B 823 1.993 14.462 25.935 1.00 34.89 H new ATOM 0 HD21 ASN B 823 3.464 15.477 29.381 1.00 36.11 H new ATOM 0 HD22 ASN B 823 3.472 16.420 28.228 1.00 36.11 H new ATOM 2524 N GLU B 824 4.524 13.381 24.785 1.00 31.79 N ATOM 2525 CA GLU B 824 5.420 12.227 24.686 1.00 32.89 C ATOM 2526 C GLU B 824 6.661 12.479 23.863 1.00 32.81 C ATOM 2527 O GLU B 824 7.429 11.563 23.639 1.00 35.44 O ATOM 2528 CB GLU B 824 4.617 10.987 24.233 1.00 30.95 C ATOM 2529 CG GLU B 824 3.686 10.619 25.381 1.00 41.29 C ATOM 2530 CD GLU B 824 2.696 9.497 25.150 1.00 52.77 C ATOM 2531 OE1 GLU B 824 2.841 8.728 24.199 1.00 62.25 O ATOM 2532 OE2 GLU B 824 1.758 9.374 25.982 1.00 65.49 O ATOM 0 H GLU B 824 3.869 13.370 24.228 1.00 31.79 H new ATOM 0 HA GLU B 824 5.776 12.052 25.571 1.00 32.89 H new ATOM 0 HB2 GLU B 824 4.111 11.181 23.429 1.00 30.95 H new ATOM 0 HB3 GLU B 824 5.212 10.250 24.023 1.00 30.95 H new ATOM 0 HG2 GLU B 824 4.234 10.381 26.145 1.00 41.29 H new ATOM 0 HG3 GLU B 824 3.186 11.413 25.626 1.00 41.29 H new ATOM 2533 N GLN B 825 6.825 13.688 23.352 1.00 32.60 N ATOM 2534 CA GLN B 825 7.968 14.036 22.501 1.00 34.66 C ATOM 2535 C GLN B 825 8.100 13.177 21.251 1.00 35.45 C ATOM 2536 O GLN B 825 9.184 12.797 20.880 1.00 34.73 O ATOM 2537 CB GLN B 825 9.253 14.076 23.324 1.00 40.29 C ATOM 2538 CG GLN B 825 9.136 14.997 24.548 1.00 45.11 C ATOM 2539 CD GLN B 825 10.212 14.763 25.600 1.00 42.44 C ATOM 2540 OE1 GLN B 825 10.346 13.657 26.105 1.00 44.52 O ATOM 2541 NE2 GLN B 825 10.978 15.816 25.933 1.00 34.32 N ATOM 0 H GLN B 825 6.278 14.338 23.485 1.00 32.60 H new ATOM 0 HA GLN B 825 7.796 14.927 22.158 1.00 34.66 H new ATOM 0 HB2 GLN B 825 9.474 13.178 23.618 1.00 40.29 H new ATOM 0 HB3 GLN B 825 9.984 14.379 22.763 1.00 40.29 H new ATOM 0 HG2 GLN B 825 9.180 15.920 24.253 1.00 45.11 H new ATOM 0 HG3 GLN B 825 8.265 14.870 24.955 1.00 45.11 H new ATOM 0 HE21 GLN B 825 10.851 16.577 25.554 1.00 34.32 H new ATOM 0 HE22 GLN B 825 11.595 15.728 26.525 1.00 34.32 H new ATOM 2542 N MET B 826 6.954 12.866 20.614 1.00 34.14 N ATOM 2543 CA AMET B 826 6.915 12.034 19.414 0.59 30.40 C ATOM 2544 CA BMET B 826 6.896 12.034 19.410 0.41 31.76 C ATOM 2545 C MET B 826 7.306 12.783 18.154 1.00 30.97 C ATOM 2546 O MET B 826 7.536 12.178 17.133 1.00 37.55 O ATOM 2547 CB AMET B 826 5.541 11.389 19.253 0.59 32.69 C ATOM 2548 CB BMET B 826 5.498 11.429 19.233 0.41 34.52 C ATOM 2549 CG AMET B 826 5.151 10.429 20.390 0.59 36.46 C ATOM 2550 CG BMET B 826 5.114 10.479 20.364 0.41 38.15 C ATOM 2551 SD AMET B 826 6.275 8.998 20.657 0.59 41.08 S ATOM 2552 SD BMET B 826 3.570 9.536 20.260 0.41 43.85 S ATOM 2553 CE AMET B 826 6.179 8.119 19.084 0.59 39.69 C ATOM 2554 CE BMET B 826 3.604 8.690 18.681 0.41 40.22 C ATOM 0 H AMET B 826 6.180 13.137 20.874 0.59 34.14 H new ATOM 0 H BMET B 826 6.183 13.140 20.879 0.41 34.14 H new ATOM 0 HA AMET B 826 7.582 11.340 19.538 0.59 31.76 H new ATOM 0 HA BMET B 826 7.540 11.320 19.539 0.41 31.76 H new ATOM 0 HB2AMET B 826 4.872 12.089 19.192 0.59 34.52 H new ATOM 0 HB2BMET B 826 4.845 12.145 19.182 0.41 34.52 H new ATOM 0 HB3AMET B 826 5.520 10.904 18.413 0.59 34.52 H new ATOM 0 HB3BMET B 826 5.462 10.952 18.389 0.41 34.52 H new ATOM 0 HG2AMET B 826 5.101 10.937 21.215 0.59 38.15 H new ATOM 0 HG2BMET B 826 5.837 9.840 20.464 0.41 38.15 H new ATOM 0 HG3AMET B 826 4.260 10.089 20.211 0.59 38.15 H new ATOM 0 HG3BMET B 826 5.081 11.000 21.181 0.41 38.15 H new ATOM 0 HE1AMET B 826 6.708 7.307 19.134 0.59 40.22 H new ATOM 0 HE1BMET B 826 2.794 8.167 18.576 0.41 40.22 H new ATOM 0 HE2AMET B 826 5.255 7.891 18.896 0.59 40.22 H new ATOM 0 HE2BMET B 826 3.663 9.342 17.965 0.41 40.22 H new ATOM 0 HE3AMET B 826 6.522 8.685 18.375 0.59 40.22 H new ATOM 0 HE3BMET B 826 4.374 8.102 18.645 0.41 40.22 H new ATOM 2555 N TYR B 827 7.428 14.105 18.220 1.00 29.58 N ATOM 2556 CA TYR B 827 7.772 14.903 17.053 1.00 26.06 C ATOM 2557 C TYR B 827 9.226 15.306 17.134 1.00 26.55 C ATOM 2558 O TYR B 827 9.637 15.923 18.116 1.00 32.33 O ATOM 2559 CB TYR B 827 6.857 16.168 16.932 1.00 27.06 C ATOM 2560 CG TYR B 827 5.385 15.871 16.788 1.00 23.22 C ATOM 2561 CD1 TYR B 827 4.907 15.097 15.791 1.00 24.99 C ATOM 2562 CD2 TYR B 827 4.473 16.309 17.743 1.00 25.52 C ATOM 2563 CE1 TYR B 827 3.552 14.780 15.695 1.00 23.44 C ATOM 2564 CE2 TYR B 827 3.119 16.034 17.634 1.00 23.12 C ATOM 2565 CZ TYR B 827 2.657 15.309 16.620 1.00 24.34 C ATOM 2566 OH TYR B 827 1.336 14.998 16.565 1.00 25.37 O ATOM 0 H TYR B 827 7.314 14.561 18.940 1.00 29.58 H new ATOM 0 HA TYR B 827 7.628 14.366 16.258 1.00 26.06 H new ATOM 0 HB2 TYR B 827 6.987 16.722 17.717 1.00 27.06 H new ATOM 0 HB3 TYR B 827 7.146 16.689 16.166 1.00 27.06 H new ATOM 0 HD1 TYR B 827 5.496 14.767 15.152 1.00 24.99 H new ATOM 0 HD2 TYR B 827 4.779 16.798 18.472 1.00 25.52 H new ATOM 0 HE1 TYR B 827 3.249 14.219 15.018 1.00 23.44 H new ATOM 0 HE2 TYR B 827 2.529 16.359 18.275 1.00 23.12 H new ATOM 0 HH TYR B 827 1.200 14.463 15.932 1.00 25.37 H new ATOM 2567 N THR B 828 10.015 14.990 16.093 1.00 27.25 N ATOM 2568 CA THR B 828 11.449 15.445 16.056 1.00 30.45 C ATOM 2569 C THR B 828 11.622 16.752 15.402 1.00 26.56 C ATOM 2570 O THR B 828 12.560 17.483 15.687 1.00 27.23 O ATOM 2571 CB THR B 828 12.393 14.444 15.387 1.00 30.73 C ATOM 2572 OG1 THR B 828 11.874 14.053 14.123 1.00 31.18 O ATOM 2573 CG2 THR B 828 12.470 13.232 16.251 1.00 32.15 C ATOM 0 H THR B 828 9.763 14.529 15.412 1.00 27.25 H new ATOM 0 HA THR B 828 11.688 15.520 16.993 1.00 30.45 H new ATOM 0 HB THR B 828 13.265 14.851 15.267 1.00 30.73 H new ATOM 0 HG1 THR B 828 12.398 13.505 13.762 1.00 31.18 H new ATOM 0 HG21 THR B 828 13.065 12.582 15.845 1.00 32.15 H new ATOM 0 HG22 THR B 828 12.810 13.479 17.125 1.00 32.15 H new ATOM 0 HG23 THR B 828 11.586 12.845 16.346 1.00 32.15 H new ATOM 2574 N ARG B 829 10.690 17.065 14.524 1.00 28.65 N ATOM 2575 CA AARG B 829 10.694 18.309 13.780 0.49 29.56 C ATOM 2576 CA BARG B 829 10.710 18.334 13.830 0.51 30.07 C ATOM 2577 C ARG B 829 9.301 18.991 13.816 1.00 27.27 C ATOM 2578 O ARG B 829 8.276 18.318 13.938 1.00 25.67 O ATOM 2579 CB AARG B 829 11.092 17.998 12.331 0.49 30.75 C ATOM 2580 CB BARG B 829 11.246 18.106 12.408 0.51 32.63 C ATOM 2581 CG AARG B 829 12.564 17.590 12.187 0.49 31.43 C ATOM 2582 CG BARG B 829 12.756 17.795 12.357 0.51 32.68 C ATOM 2583 CD AARG B 829 12.956 17.129 10.777 0.49 31.86 C ATOM 2584 CD BARG B 829 13.247 17.446 10.947 0.51 35.25 C ATOM 2585 NE AARG B 829 14.380 16.751 10.834 0.49 37.37 N ATOM 2586 NE BARG B 829 14.592 16.822 11.020 0.51 39.34 N ATOM 2587 CZ AARG B 829 14.817 15.547 11.207 0.49 32.31 C ATOM 2588 CZ BARG B 829 15.763 17.433 10.876 0.51 34.33 C ATOM 2589 NH1AARG B 829 13.956 14.548 11.482 0.49 28.11 N ATOM 2590 NH1BARG B 829 16.859 16.717 11.005 0.51 36.14 N ATOM 2591 NH2AARG B 829 16.115 15.343 11.247 0.49 34.36 N ATOM 2592 NH2BARG B 829 15.859 18.728 10.611 0.51 34.36 N ATOM 0 H AARG B 829 10.025 16.552 14.339 0.49 28.65 H new ATOM 0 H BARG B 829 10.032 16.552 14.314 0.51 28.65 H new ATOM 0 HA AARG B 829 11.328 18.923 14.183 0.49 30.07 H new ATOM 0 HA BARG B 829 11.295 18.952 14.296 0.51 30.07 H new ATOM 0 HB2AARG B 829 10.529 17.284 11.993 0.49 32.63 H new ATOM 0 HB2BARG B 829 10.759 17.372 12.001 0.51 32.63 H new ATOM 0 HB3AARG B 829 10.923 18.778 11.780 0.49 32.63 H new ATOM 0 HB3BARG B 829 11.068 18.896 11.873 0.51 32.63 H new ATOM 0 HG2AARG B 829 13.123 18.342 12.437 0.49 32.68 H new ATOM 0 HG2BARG B 829 13.251 18.562 12.686 0.51 32.68 H new ATOM 0 HG3AARG B 829 12.753 16.875 12.814 0.49 32.68 H new ATOM 0 HG3BARG B 829 12.949 17.055 12.954 0.51 32.68 H new ATOM 0 HD2AARG B 829 12.411 16.377 10.497 0.49 35.25 H new ATOM 0 HD2BARG B 829 12.623 16.839 10.520 0.51 35.25 H new ATOM 0 HD3AARG B 829 12.814 17.838 10.131 0.49 35.25 H new ATOM 0 HD3BARG B 829 13.283 18.247 10.401 0.51 35.25 H new ATOM 0 HE AARG B 829 14.964 17.342 10.613 0.49 39.34 H new ATOM 0 HE BARG B 829 14.616 15.976 11.171 0.51 39.34 H new ATOM 0 HH11AARG B 829 13.109 14.681 11.418 0.49 36.14 H new ATOM 0 HH11BARG B 829 16.806 15.876 11.178 0.51 36.14 H new ATOM 0 HH12AARG B 829 14.254 13.777 11.721 0.49 36.14 H new ATOM 0 HH12BARG B 829 17.629 17.090 10.916 0.51 36.14 H new ATOM 0 HH21AARG B 829 16.657 15.977 11.036 0.49 34.36 H new ATOM 0 HH21BARG B 829 15.147 19.203 10.526 0.51 34.36 H new ATOM 0 HH22AARG B 829 16.423 14.576 11.484 0.49 34.36 H new ATOM 0 HH22BARG B 829 16.633 19.093 10.524 0.51 34.36 H new ATOM 2593 N VAL B 830 9.289 20.305 13.620 1.00 28.02 N ATOM 2594 CA VAL B 830 8.015 21.118 13.586 1.00 31.16 C ATOM 2595 C VAL B 830 7.100 20.511 12.533 1.00 30.98 C ATOM 2596 O VAL B 830 5.917 20.312 12.750 1.00 28.31 O ATOM 2597 CB VAL B 830 8.341 22.573 13.270 1.00 31.83 C ATOM 2598 CG1 VAL B 830 7.102 23.322 12.877 1.00 35.05 C ATOM 2599 CG2 VAL B 830 9.030 23.226 14.428 1.00 30.45 C ATOM 0 H VAL B 830 10.002 20.771 13.501 1.00 28.02 H new ATOM 0 HA VAL B 830 7.568 21.101 14.447 1.00 31.16 H new ATOM 0 HB VAL B 830 8.950 22.593 12.515 1.00 31.83 H new ATOM 0 HG11 VAL B 830 7.330 24.244 12.680 1.00 35.05 H new ATOM 0 HG12 VAL B 830 6.711 22.911 12.090 1.00 35.05 H new ATOM 0 HG13 VAL B 830 6.463 23.296 13.606 1.00 35.05 H new ATOM 0 HG21 VAL B 830 9.229 24.150 14.208 1.00 30.45 H new ATOM 0 HG22 VAL B 830 8.452 23.197 15.207 1.00 30.45 H new ATOM 0 HG23 VAL B 830 9.856 22.755 14.621 1.00 30.45 H new ATOM 2600 N GLU B 831 7.707 20.088 11.427 1.00 27.88 N ATOM 2601 CA GLU B 831 7.015 19.350 10.389 1.00 31.93 C ATOM 2602 C GLU B 831 6.080 18.297 10.858 1.00 30.95 C ATOM 2603 O GLU B 831 4.939 18.216 10.358 1.00 32.48 O ATOM 2604 CB GLU B 831 8.053 18.698 9.452 1.00 38.51 C ATOM 2605 CG GLU B 831 7.531 17.973 8.232 1.00 49.60 C ATOM 2606 CD GLU B 831 8.634 17.154 7.506 1.00 58.63 C ATOM 2607 OE1 GLU B 831 9.366 16.353 8.161 1.00 55.78 O ATOM 2608 OE2 GLU B 831 8.763 17.327 6.272 1.00 59.16 O ATOM 0 H GLU B 831 8.540 20.225 11.261 1.00 27.88 H new ATOM 0 HA GLU B 831 6.464 20.010 9.939 1.00 31.93 H new ATOM 0 HB2 GLU B 831 8.662 19.391 9.151 1.00 38.51 H new ATOM 0 HB3 GLU B 831 8.575 18.069 9.974 1.00 38.51 H new ATOM 0 HG2 GLU B 831 6.812 17.378 8.497 1.00 49.60 H new ATOM 0 HG3 GLU B 831 7.152 18.618 7.614 1.00 49.60 H new ATOM 2609 N GLY B 832 6.526 17.416 11.758 1.00 28.66 N ATOM 2610 CA GLY B 832 5.630 16.304 12.129 1.00 25.04 C ATOM 2611 C GLY B 832 4.348 16.845 12.831 1.00 24.66 C ATOM 2612 O GLY B 832 3.288 16.302 12.710 1.00 27.52 O ATOM 0 H GLY B 832 7.293 17.434 12.147 1.00 28.66 H new ATOM 0 HA2 GLY B 832 5.384 15.802 11.336 1.00 25.04 H new ATOM 0 HA3 GLY B 832 6.094 15.691 12.720 1.00 25.04 H new ATOM 2613 N PHE B 833 4.486 17.907 13.604 1.00 26.46 N ATOM 2614 CA PHE B 833 3.364 18.466 14.393 1.00 25.38 C ATOM 2615 C PHE B 833 2.393 19.153 13.405 1.00 25.58 C ATOM 2616 O PHE B 833 1.202 18.921 13.386 1.00 26.79 O ATOM 2617 CB PHE B 833 3.940 19.439 15.413 1.00 27.50 C ATOM 2618 CG PHE B 833 2.930 20.401 15.975 1.00 28.32 C ATOM 2619 CD1 PHE B 833 2.069 19.979 16.934 1.00 29.86 C ATOM 2620 CD2 PHE B 833 2.835 21.700 15.499 1.00 28.99 C ATOM 2621 CE1 PHE B 833 1.101 20.832 17.458 1.00 33.69 C ATOM 2622 CE2 PHE B 833 1.871 22.587 16.029 1.00 33.55 C ATOM 2623 CZ PHE B 833 1.017 22.131 17.020 1.00 30.65 C ATOM 0 H PHE B 833 5.226 18.335 13.696 1.00 26.46 H new ATOM 0 HA PHE B 833 2.873 17.784 14.878 1.00 25.38 H new ATOM 0 HB2 PHE B 833 4.333 18.934 16.142 1.00 27.50 H new ATOM 0 HB3 PHE B 833 4.657 19.943 14.997 1.00 27.50 H new ATOM 0 HD1 PHE B 833 2.126 19.105 17.247 1.00 29.86 H new ATOM 0 HD2 PHE B 833 3.409 21.989 14.827 1.00 28.99 H new ATOM 0 HE1 PHE B 833 0.510 20.521 18.106 1.00 33.69 H new ATOM 0 HE2 PHE B 833 1.811 23.461 15.718 1.00 33.55 H new ATOM 0 HZ PHE B 833 0.386 22.705 17.389 1.00 30.65 H new ATOM 2624 N VAL B 834 2.945 19.925 12.513 1.00 27.04 N ATOM 2625 CA VAL B 834 2.120 20.610 11.542 1.00 29.73 C ATOM 2626 C VAL B 834 1.372 19.644 10.650 1.00 33.69 C ATOM 2627 O VAL B 834 0.201 19.869 10.339 1.00 29.98 O ATOM 2628 CB VAL B 834 2.957 21.558 10.729 1.00 28.15 C ATOM 2629 CG1 VAL B 834 2.166 22.156 9.561 1.00 31.90 C ATOM 2630 CG2 VAL B 834 3.467 22.638 11.673 1.00 29.92 C ATOM 0 H VAL B 834 3.790 20.071 12.445 1.00 27.04 H new ATOM 0 HA VAL B 834 1.452 21.119 12.027 1.00 29.73 H new ATOM 0 HB VAL B 834 3.702 21.084 10.327 1.00 28.15 H new ATOM 0 HG11 VAL B 834 2.736 22.761 9.060 1.00 31.90 H new ATOM 0 HG12 VAL B 834 1.860 21.443 8.978 1.00 31.90 H new ATOM 0 HG13 VAL B 834 1.401 22.643 9.904 1.00 31.90 H new ATOM 0 HG21 VAL B 834 4.013 23.269 11.178 1.00 29.92 H new ATOM 0 HG22 VAL B 834 2.714 23.104 12.069 1.00 29.92 H new ATOM 0 HG23 VAL B 834 3.999 22.230 12.374 1.00 29.92 H new ATOM 2631 N GLN B 835 2.023 18.559 10.252 1.00 30.95 N ATOM 2632 CA GLN B 835 1.360 17.626 9.402 1.00 31.02 C ATOM 2633 C GLN B 835 0.194 16.964 10.088 1.00 30.66 C ATOM 2634 O GLN B 835 -0.807 16.737 9.485 1.00 29.33 O ATOM 2635 CB GLN B 835 2.323 16.570 8.887 1.00 35.57 C ATOM 2636 CG GLN B 835 3.298 17.183 7.894 1.00 46.43 C ATOM 2637 CD GLN B 835 4.327 16.203 7.340 1.00 56.05 C ATOM 2638 OE1 GLN B 835 4.526 15.072 7.851 1.00 50.48 O ATOM 2639 NE2 GLN B 835 4.998 16.642 6.267 1.00 62.98 N ATOM 0 H GLN B 835 2.832 18.359 10.465 1.00 30.95 H new ATOM 0 HA GLN B 835 1.017 18.133 8.650 1.00 31.02 H new ATOM 0 HB2 GLN B 835 2.810 16.179 9.629 1.00 35.57 H new ATOM 0 HB3 GLN B 835 1.828 15.852 8.462 1.00 35.57 H new ATOM 0 HG2 GLN B 835 2.796 17.561 7.155 1.00 46.43 H new ATOM 0 HG3 GLN B 835 3.764 17.916 8.325 1.00 46.43 H new ATOM 0 HE21 GLN B 835 4.833 17.423 5.946 1.00 62.98 H new ATOM 0 HE22 GLN B 835 5.594 16.143 5.899 1.00 62.98 H new ATOM 2640 N ASP B 836 0.330 16.630 11.355 1.00 29.85 N ATOM 2641 CA ASP B 836 -0.751 16.014 12.066 1.00 27.15 C ATOM 2642 C ASP B 836 -1.898 17.033 12.243 1.00 28.48 C ATOM 2643 O ASP B 836 -3.048 16.681 12.126 1.00 24.33 O ATOM 2644 CB ASP B 836 -0.248 15.533 13.424 1.00 30.57 C ATOM 2645 CG ASP B 836 0.278 14.109 13.389 1.00 33.78 C ATOM 2646 OD1 ASP B 836 0.215 13.524 12.294 1.00 31.91 O ATOM 2647 OD2 ASP B 836 0.613 13.554 14.482 1.00 34.41 O ATOM 0 H ASP B 836 1.044 16.754 11.818 1.00 29.85 H new ATOM 0 HA ASP B 836 -1.086 15.253 11.567 1.00 27.15 H new ATOM 0 HB2 ASP B 836 0.456 16.125 13.731 1.00 30.57 H new ATOM 0 HB3 ASP B 836 -0.969 15.591 14.070 1.00 30.57 H new ATOM 2648 N MET B 837 -1.585 18.275 12.534 1.00 27.20 N ATOM 2649 CA MET B 837 -2.654 19.288 12.680 1.00 28.00 C ATOM 2650 C MET B 837 -3.457 19.486 11.360 1.00 31.23 C ATOM 2651 O MET B 837 -4.703 19.422 11.343 1.00 26.76 O ATOM 2652 CB MET B 837 -2.031 20.598 13.122 1.00 25.99 C ATOM 2653 CG MET B 837 -1.469 20.647 14.539 1.00 27.95 C ATOM 2654 SD MET B 837 -2.753 20.355 15.780 1.00 28.55 S ATOM 2655 CE MET B 837 -3.518 21.983 15.609 1.00 33.87 C ATOM 0 H MET B 837 -0.784 18.566 12.652 1.00 27.20 H new ATOM 0 HA MET B 837 -3.284 18.975 13.348 1.00 28.00 H new ATOM 0 HB2 MET B 837 -1.315 20.816 12.505 1.00 25.99 H new ATOM 0 HB3 MET B 837 -2.700 21.295 13.038 1.00 25.99 H new ATOM 0 HG2 MET B 837 -0.770 19.981 14.633 1.00 27.95 H new ATOM 0 HG3 MET B 837 -1.059 21.512 14.695 1.00 27.95 H new ATOM 0 HE1 MET B 837 -3.980 22.212 16.431 1.00 33.87 H new ATOM 0 HE2 MET B 837 -2.833 22.645 15.429 1.00 33.87 H new ATOM 0 HE3 MET B 837 -4.153 21.967 14.876 1.00 33.87 H new ATOM 2656 N ARG B 838 -2.743 19.607 10.240 1.00 29.43 N ATOM 2657 CA ARG B 838 -3.396 19.714 8.905 1.00 30.34 C ATOM 2658 C ARG B 838 -4.178 18.495 8.539 1.00 30.39 C ATOM 2659 O ARG B 838 -5.270 18.545 7.922 1.00 30.97 O ATOM 2660 CB ARG B 838 -2.351 20.050 7.816 1.00 31.53 C ATOM 2661 CG ARG B 838 -1.783 21.434 8.040 1.00 30.79 C ATOM 2662 CD ARG B 838 -0.669 21.807 7.056 1.00 33.42 C ATOM 2663 NE ARG B 838 -0.324 23.227 7.141 1.00 34.15 N ATOM 2664 CZ ARG B 838 0.797 23.779 6.657 1.00 35.78 C ATOM 2665 NH1 ARG B 838 1.753 23.045 6.068 1.00 39.37 N ATOM 2666 NH2 ARG B 838 1.004 25.061 6.809 1.00 35.08 N ATOM 0 H ARG B 838 -1.884 19.630 10.218 1.00 29.43 H new ATOM 0 HA ARG B 838 -4.036 20.441 8.963 1.00 30.34 H new ATOM 0 HB2 ARG B 838 -1.636 19.394 7.832 1.00 31.53 H new ATOM 0 HB3 ARG B 838 -2.762 20.001 6.939 1.00 31.53 H new ATOM 0 HG2 ARG B 838 -2.499 22.085 7.968 1.00 30.79 H new ATOM 0 HG3 ARG B 838 -1.438 21.491 8.945 1.00 30.79 H new ATOM 0 HD2 ARG B 838 0.118 21.271 7.240 1.00 33.42 H new ATOM 0 HD3 ARG B 838 -0.951 21.596 6.152 1.00 33.42 H new ATOM 0 HE ARG B 838 -0.885 23.748 7.532 1.00 34.15 H new ATOM 0 HH11 ARG B 838 1.656 22.194 5.992 1.00 39.37 H new ATOM 0 HH12 ARG B 838 2.463 23.426 5.766 1.00 39.37 H new ATOM 0 HH21 ARG B 838 0.422 25.545 7.218 1.00 35.08 H new ATOM 0 HH22 ARG B 838 1.722 25.420 6.500 1.00 35.08 H new ATOM 2667 N LEU B 839 -3.676 17.347 8.943 1.00 30.15 N ATOM 2668 CA LEU B 839 -4.424 16.137 8.665 1.00 31.34 C ATOM 2669 C LEU B 839 -5.810 16.101 9.313 1.00 32.82 C ATOM 2670 O LEU B 839 -6.741 15.453 8.791 1.00 27.88 O ATOM 2671 CB LEU B 839 -3.629 14.943 9.112 1.00 30.94 C ATOM 2672 CG LEU B 839 -4.264 13.553 9.085 1.00 35.46 C ATOM 2673 CD1 LEU B 839 -4.614 13.118 7.667 1.00 42.14 C ATOM 2674 CD2 LEU B 839 -3.300 12.525 9.681 1.00 39.45 C ATOM 0 H LEU B 839 -2.933 17.244 9.364 1.00 30.15 H new ATOM 0 HA LEU B 839 -4.571 16.120 7.706 1.00 31.34 H new ATOM 0 HB2 LEU B 839 -2.829 14.906 8.564 1.00 30.94 H new ATOM 0 HB3 LEU B 839 -3.341 15.112 10.023 1.00 30.94 H new ATOM 0 HG LEU B 839 -5.079 13.601 9.608 1.00 35.46 H new ATOM 0 HD11 LEU B 839 -5.013 12.234 7.689 1.00 42.14 H new ATOM 0 HD12 LEU B 839 -5.243 13.747 7.281 1.00 42.14 H new ATOM 0 HD13 LEU B 839 -3.808 13.095 7.127 1.00 42.14 H new ATOM 0 HD21 LEU B 839 -3.710 11.646 9.660 1.00 39.45 H new ATOM 0 HD22 LEU B 839 -2.480 12.511 9.162 1.00 39.45 H new ATOM 0 HD23 LEU B 839 -3.097 12.765 10.599 1.00 39.45 H new ATOM 2675 N ILE B 840 -5.948 16.713 10.504 1.00 31.52 N ATOM 2676 CA ILE B 840 -7.264 16.758 11.172 1.00 29.08 C ATOM 2677 C ILE B 840 -8.322 17.392 10.229 1.00 27.61 C ATOM 2678 O ILE B 840 -9.420 16.882 10.064 1.00 29.10 O ATOM 2679 CB ILE B 840 -7.135 17.580 12.475 1.00 28.47 C ATOM 2680 CG1 ILE B 840 -6.409 16.737 13.552 1.00 28.18 C ATOM 2681 CG2 ILE B 840 -8.476 18.054 12.981 1.00 29.46 C ATOM 2682 CD1 ILE B 840 -5.907 17.514 14.754 1.00 27.76 C ATOM 0 H ILE B 840 -5.309 17.099 10.932 1.00 31.52 H new ATOM 0 HA ILE B 840 -7.554 15.858 11.387 1.00 29.08 H new ATOM 0 HB ILE B 840 -6.612 18.373 12.279 1.00 28.47 H new ATOM 0 HG12 ILE B 840 -7.014 16.045 13.862 1.00 28.18 H new ATOM 0 HG13 ILE B 840 -5.655 16.289 13.137 1.00 28.18 H new ATOM 0 HG21 ILE B 840 -8.352 18.564 13.797 1.00 29.46 H new ATOM 0 HG22 ILE B 840 -8.895 18.615 12.310 1.00 29.46 H new ATOM 0 HG23 ILE B 840 -9.043 17.288 13.162 1.00 29.46 H new ATOM 0 HD11 ILE B 840 -5.469 16.908 15.371 1.00 27.76 H new ATOM 0 HD12 ILE B 840 -5.275 18.190 14.462 1.00 27.76 H new ATOM 0 HD13 ILE B 840 -6.655 17.942 15.198 1.00 27.76 H new ATOM 2683 N PHE B 841 -7.973 18.527 9.663 1.00 29.92 N ATOM 2684 CA PHE B 841 -8.892 19.305 8.820 1.00 34.39 C ATOM 2685 C PHE B 841 -9.076 18.644 7.457 1.00 36.44 C ATOM 2686 O PHE B 841 -10.240 18.517 6.961 1.00 33.17 O ATOM 2687 CB PHE B 841 -8.445 20.767 8.746 1.00 32.00 C ATOM 2688 CG PHE B 841 -8.144 21.347 10.110 1.00 38.53 C ATOM 2689 CD1 PHE B 841 -9.146 21.406 11.081 1.00 37.20 C ATOM 2690 CD2 PHE B 841 -6.847 21.785 10.454 1.00 37.35 C ATOM 2691 CE1 PHE B 841 -8.880 21.866 12.366 1.00 38.19 C ATOM 2692 CE2 PHE B 841 -6.588 22.271 11.726 1.00 41.03 C ATOM 2693 CZ PHE B 841 -7.608 22.322 12.687 1.00 42.40 C ATOM 0 H PHE B 841 -7.194 18.881 9.750 1.00 29.92 H new ATOM 0 HA PHE B 841 -9.773 19.313 9.227 1.00 34.39 H new ATOM 0 HB2 PHE B 841 -7.655 20.833 8.188 1.00 32.00 H new ATOM 0 HB3 PHE B 841 -9.139 21.294 8.319 1.00 32.00 H new ATOM 0 HD1 PHE B 841 -10.008 21.132 10.864 1.00 37.20 H new ATOM 0 HD2 PHE B 841 -6.163 21.747 9.825 1.00 37.35 H new ATOM 0 HE1 PHE B 841 -9.552 21.868 13.009 1.00 38.19 H new ATOM 0 HE2 PHE B 841 -5.733 22.565 11.943 1.00 41.03 H new ATOM 0 HZ PHE B 841 -7.433 22.660 13.536 1.00 42.40 H new ATOM 2694 N HIS B 842 -7.995 18.045 6.953 1.00 35.16 N ATOM 2695 CA HIS B 842 -8.098 17.256 5.722 1.00 34.06 C ATOM 2696 C HIS B 842 -9.110 16.176 5.819 1.00 32.84 C ATOM 2697 O HIS B 842 -9.983 16.012 4.955 1.00 35.88 O ATOM 2698 CB HIS B 842 -6.752 16.674 5.298 1.00 36.58 C ATOM 2699 CG HIS B 842 -6.855 15.765 4.106 1.00 41.57 C ATOM 2700 ND1 HIS B 842 -6.813 16.235 2.804 1.00 40.84 N ATOM 2701 CD2 HIS B 842 -7.048 14.423 4.020 1.00 43.46 C ATOM 2702 CE1 HIS B 842 -6.960 15.229 1.967 1.00 43.91 C ATOM 2703 NE2 HIS B 842 -7.122 14.120 2.678 1.00 51.54 N ATOM 0 H HIS B 842 -7.209 18.081 7.299 1.00 35.16 H new ATOM 0 HA HIS B 842 -8.392 17.878 5.038 1.00 34.06 H new ATOM 0 HB2 HIS B 842 -6.142 17.400 5.093 1.00 36.58 H new ATOM 0 HB3 HIS B 842 -6.369 16.182 6.041 1.00 36.58 H new ATOM 0 HD2 HIS B 842 -7.117 13.825 4.729 1.00 43.46 H new ATOM 0 HE1 HIS B 842 -6.952 15.286 1.039 1.00 43.91 H new ATOM 0 HE2 HIS B 842 -7.253 13.335 2.352 1.00 51.54 H new ATOM 2704 N ASN B 843 -9.001 15.388 6.864 1.00 30.62 N ATOM 2705 CA ASN B 843 -9.932 14.332 7.094 1.00 29.06 C ATOM 2706 C ASN B 843 -11.378 14.779 7.239 1.00 31.21 C ATOM 2707 O ASN B 843 -12.317 14.027 6.870 1.00 31.33 O ATOM 2708 CB ASN B 843 -9.527 13.540 8.339 1.00 33.16 C ATOM 2709 CG ASN B 843 -8.323 12.641 8.090 1.00 37.50 C ATOM 2710 OD1 ASN B 843 -7.857 12.505 6.937 1.00 36.66 O ATOM 2711 ND2 ASN B 843 -7.808 12.039 9.151 1.00 34.08 N ATOM 0 H ASN B 843 -8.382 15.455 7.457 1.00 30.62 H new ATOM 0 HA ASN B 843 -9.896 13.781 6.297 1.00 29.06 H new ATOM 0 HB2 ASN B 843 -9.323 14.157 9.059 1.00 33.16 H new ATOM 0 HB3 ASN B 843 -10.276 12.999 8.633 1.00 33.16 H new ATOM 0 HD21 ASN B 843 -7.122 11.527 9.064 1.00 34.08 H new ATOM 0 HD22 ASN B 843 -8.159 12.160 9.927 1.00 34.08 H new ATOM 2712 N HIS B 844 -11.550 15.940 7.873 1.00 29.72 N ATOM 2713 CA HIS B 844 -12.889 16.484 8.128 1.00 32.66 C ATOM 2714 C HIS B 844 -13.595 16.824 6.758 1.00 31.45 C ATOM 2715 O HIS B 844 -14.738 16.463 6.520 1.00 32.24 O ATOM 2716 CB HIS B 844 -12.753 17.742 8.963 1.00 31.90 C ATOM 2717 CG HIS B 844 -14.045 18.400 9.246 1.00 32.63 C ATOM 2718 ND1 HIS B 844 -14.882 17.983 10.264 1.00 33.60 N ATOM 2719 CD2 HIS B 844 -14.656 19.451 8.650 1.00 33.42 C ATOM 2720 CE1 HIS B 844 -15.961 18.742 10.271 1.00 34.25 C ATOM 2721 NE2 HIS B 844 -15.861 19.623 9.289 1.00 34.71 N ATOM 0 H HIS B 844 -10.905 16.429 8.164 1.00 29.72 H new ATOM 0 HA HIS B 844 -13.426 15.831 8.603 1.00 32.66 H new ATOM 0 HB2 HIS B 844 -12.320 17.520 9.802 1.00 31.90 H new ATOM 0 HB3 HIS B 844 -12.173 18.368 8.501 1.00 31.90 H new ATOM 0 HD2 HIS B 844 -14.325 19.958 7.945 1.00 33.42 H new ATOM 0 HE1 HIS B 844 -16.672 18.670 10.866 1.00 34.25 H new ATOM 0 HE2 HIS B 844 -16.455 20.210 9.083 1.00 34.71 H new ATOM 2722 N LYS B 845 -12.869 17.529 5.921 1.00 31.07 N ATOM 2723 CA LYS B 845 -13.300 17.874 4.573 1.00 39.31 C ATOM 2724 C LYS B 845 -13.626 16.634 3.771 1.00 39.14 C ATOM 2725 O LYS B 845 -14.628 16.631 3.089 1.00 46.55 O ATOM 2726 CB LYS B 845 -12.251 18.724 3.887 1.00 46.01 C ATOM 2727 CG LYS B 845 -12.614 19.132 2.457 1.00 65.62 C ATOM 2728 CD LYS B 845 -11.573 19.978 1.690 1.00 75.39 C ATOM 2729 CE LYS B 845 -10.107 19.539 1.858 1.00 82.88 C ATOM 2730 NZ LYS B 845 -9.755 18.141 1.455 1.00 88.32 N ATOM 0 H LYS B 845 -12.089 17.832 6.119 1.00 31.07 H new ATOM 0 HA LYS B 845 -14.115 18.396 4.634 1.00 39.31 H new ATOM 0 HB2 LYS B 845 -12.103 19.525 4.414 1.00 46.01 H new ATOM 0 HB3 LYS B 845 -11.413 18.236 3.871 1.00 46.01 H new ATOM 0 HG2 LYS B 845 -12.784 18.325 1.946 1.00 65.62 H new ATOM 0 HG3 LYS B 845 -13.446 19.630 2.486 1.00 65.62 H new ATOM 0 HD2 LYS B 845 -11.794 19.956 0.746 1.00 75.39 H new ATOM 0 HD3 LYS B 845 -11.653 20.900 1.979 1.00 75.39 H new ATOM 0 HE2 LYS B 845 -9.552 20.147 1.346 1.00 82.88 H new ATOM 0 HE3 LYS B 845 -9.866 19.652 2.791 1.00 82.88 H new ATOM 0 HZ1 LYS B 845 -8.887 18.001 1.595 1.00 88.32 H new ATOM 0 HZ2 LYS B 845 -10.230 17.564 1.938 1.00 88.32 H new ATOM 0 HZ3 LYS B 845 -9.938 18.026 0.592 1.00 88.32 H new ATOM 2731 N GLU B 846 -12.851 15.552 3.904 1.00 41.08 N ATOM 2732 CA GLU B 846 -13.055 14.370 3.081 1.00 38.37 C ATOM 2733 C GLU B 846 -14.195 13.566 3.501 1.00 40.66 C ATOM 2734 O GLU B 846 -14.704 12.768 2.715 1.00 39.14 O ATOM 2735 CB GLU B 846 -11.821 13.420 3.030 1.00 44.07 C ATOM 2736 CG GLU B 846 -10.579 14.007 2.400 1.00 46.33 C ATOM 2737 CD GLU B 846 -10.732 14.247 0.908 1.00 57.00 C ATOM 2738 OE1 GLU B 846 -11.234 13.340 0.216 1.00 58.09 O ATOM 2739 OE2 GLU B 846 -10.376 15.360 0.443 1.00 61.29 O ATOM 0 H GLU B 846 -12.204 15.489 4.467 1.00 41.08 H new ATOM 0 HA GLU B 846 -13.215 14.744 2.201 1.00 38.37 H new ATOM 0 HB2 GLU B 846 -11.607 13.143 3.935 1.00 44.07 H new ATOM 0 HB3 GLU B 846 -12.067 12.620 2.540 1.00 44.07 H new ATOM 0 HG2 GLU B 846 -10.365 14.846 2.838 1.00 46.33 H new ATOM 0 HG3 GLU B 846 -9.831 13.409 2.552 1.00 46.33 H new ATOM 2740 N PHE B 847 -14.580 13.659 4.758 1.00 33.71 N ATOM 2741 CA PHE B 847 -15.691 12.851 5.210 1.00 34.62 C ATOM 2742 C PHE B 847 -17.005 13.599 4.953 1.00 35.51 C ATOM 2743 O PHE B 847 -18.009 12.953 4.687 1.00 32.88 O ATOM 2744 CB PHE B 847 -15.588 12.561 6.714 1.00 29.41 C ATOM 2745 CG PHE B 847 -16.665 11.722 7.237 1.00 26.94 C ATOM 2746 CD1 PHE B 847 -16.632 10.364 7.067 1.00 29.57 C ATOM 2747 CD2 PHE B 847 -17.683 12.274 7.957 1.00 31.00 C ATOM 2748 CE1 PHE B 847 -17.605 9.567 7.592 1.00 28.17 C ATOM 2749 CE2 PHE B 847 -18.697 11.515 8.461 1.00 33.98 C ATOM 2750 CZ PHE B 847 -18.663 10.145 8.295 1.00 38.22 C ATOM 0 H PHE B 847 -14.223 14.169 5.352 1.00 33.71 H new ATOM 0 HA PHE B 847 -15.670 12.013 4.722 1.00 34.62 H new ATOM 0 HB2 PHE B 847 -14.739 12.128 6.892 1.00 29.41 H new ATOM 0 HB3 PHE B 847 -15.584 13.403 7.196 1.00 29.41 H new ATOM 0 HD1 PHE B 847 -15.935 9.979 6.586 1.00 29.57 H new ATOM 0 HD2 PHE B 847 -17.686 13.192 8.108 1.00 31.00 H new ATOM 0 HE1 PHE B 847 -17.564 8.644 7.483 1.00 28.17 H new ATOM 0 HE2 PHE B 847 -19.404 11.916 8.912 1.00 33.98 H new ATOM 0 HZ PHE B 847 -19.339 9.612 8.648 1.00 38.22 H new ATOM 2751 N TYR B 848 -16.997 14.908 5.197 1.00 34.99 N ATOM 2752 CA TYR B 848 -18.240 15.693 5.238 1.00 36.03 C ATOM 2753 C TYR B 848 -18.554 16.201 3.833 1.00 44.08 C ATOM 2754 O TYR B 848 -19.705 16.333 3.522 1.00 39.04 O ATOM 2755 CB TYR B 848 -18.198 16.830 6.277 1.00 32.09 C ATOM 2756 CG TYR B 848 -18.452 16.283 7.665 1.00 32.09 C ATOM 2757 CD1 TYR B 848 -19.679 15.703 7.987 1.00 29.96 C ATOM 2758 CD2 TYR B 848 -17.421 16.203 8.618 1.00 32.24 C ATOM 2759 CE1 TYR B 848 -19.911 15.095 9.229 1.00 33.65 C ATOM 2760 CE2 TYR B 848 -17.647 15.584 9.871 1.00 30.19 C ATOM 2761 CZ TYR B 848 -18.887 15.043 10.164 1.00 31.29 C ATOM 2762 OH TYR B 848 -19.145 14.477 11.374 1.00 31.89 O ATOM 0 H TYR B 848 -16.283 15.365 5.342 1.00 34.99 H new ATOM 0 HA TYR B 848 -18.960 15.114 5.534 1.00 36.03 H new ATOM 0 HB2 TYR B 848 -17.334 17.270 6.249 1.00 32.09 H new ATOM 0 HB3 TYR B 848 -18.865 17.500 6.060 1.00 32.09 H new ATOM 0 HD1 TYR B 848 -20.364 15.720 7.359 1.00 29.96 H new ATOM 0 HD2 TYR B 848 -16.584 16.559 8.424 1.00 32.24 H new ATOM 0 HE1 TYR B 848 -20.744 14.730 9.424 1.00 33.65 H new ATOM 0 HE2 TYR B 848 -16.962 15.541 10.498 1.00 30.19 H new ATOM 0 HH TYR B 848 -19.733 13.883 11.286 1.00 31.89 H new ATOM 2763 N ARG B 849 -17.530 16.450 3.019 1.00 44.57 N ATOM 2764 CA ARG B 849 -17.659 16.609 1.549 1.00 47.16 C ATOM 2765 C ARG B 849 -18.600 17.753 1.212 1.00 48.54 C ATOM 2766 O ARG B 849 -18.232 18.898 1.471 1.00 55.70 O ATOM 2767 CB ARG B 849 -17.987 15.277 0.856 1.00 45.77 C ATOM 2768 CG ARG B 849 -16.974 14.173 1.199 1.00 51.61 C ATOM 2769 CD ARG B 849 -16.956 12.940 0.286 1.00 52.92 C ATOM 2770 NE ARG B 849 -16.226 13.202 -0.951 1.00 51.61 N ATOM 2771 CZ ARG B 849 -14.889 13.227 -1.109 1.00 55.77 C ATOM 2772 NH1 ARG B 849 -14.035 12.982 -0.102 1.00 50.94 N ATOM 2773 NH2 ARG B 849 -14.376 13.507 -2.317 1.00 51.69 N ATOM 0 H ARG B 849 -16.722 16.535 3.301 1.00 44.57 H new ATOM 0 HA ARG B 849 -16.798 16.864 1.182 1.00 47.16 H new ATOM 0 HB2 ARG B 849 -18.876 14.990 1.117 1.00 45.77 H new ATOM 0 HB3 ARG B 849 -18.003 15.410 -0.105 1.00 45.77 H new ATOM 0 HG2 ARG B 849 -16.087 14.565 1.194 1.00 51.61 H new ATOM 0 HG3 ARG B 849 -17.148 13.875 2.106 1.00 51.61 H new ATOM 0 HD2 ARG B 849 -16.546 12.195 0.754 1.00 52.92 H new ATOM 0 HD3 ARG B 849 -17.866 12.677 0.077 1.00 52.92 H new ATOM 0 HE ARG B 849 -16.699 13.357 -1.652 1.00 51.61 H new ATOM 0 HH11 ARG B 849 -14.336 12.800 0.683 1.00 50.94 H new ATOM 0 HH12 ARG B 849 -13.187 13.007 -0.242 1.00 50.94 H new ATOM 0 HH21 ARG B 849 -14.900 13.668 -2.980 1.00 51.69 H new ATOM 0 HH22 ARG B 849 -13.523 13.525 -2.428 1.00 51.69 H new ATOM 2774 N GLU B 850 -19.800 17.477 0.701 1.00 50.51 N ATOM 2775 CA AGLU B 850 -20.722 18.562 0.265 0.44 51.48 C ATOM 2776 CA BGLU B 850 -20.729 18.537 0.250 0.56 56.75 C ATOM 2777 C GLU B 850 -21.500 19.203 1.411 1.00 51.44 C ATOM 2778 O GLU B 850 -21.841 20.392 1.328 1.00 45.01 O ATOM 2779 CB AGLU B 850 -21.702 18.097 -0.840 0.44 51.15 C ATOM 2780 CB BGLU B 850 -21.686 18.012 -0.870 0.56 62.36 C ATOM 2781 CG AGLU B 850 -21.266 18.535 -2.221 0.44 48.87 C ATOM 2782 CG BGLU B 850 -22.880 17.139 -0.458 0.56 65.39 C ATOM 2783 CD AGLU B 850 -19.884 18.041 -2.548 0.44 49.53 C ATOM 2784 CD BGLU B 850 -22.554 15.660 -0.282 0.56 74.36 C ATOM 2785 OE1AGLU B 850 -18.998 18.870 -2.882 0.44 46.54 O ATOM 2786 OE1BGLU B 850 -23.337 14.815 -0.783 0.56 76.59 O ATOM 2787 OE2AGLU B 850 -19.692 16.813 -2.443 0.44 53.68 O ATOM 2788 OE2BGLU B 850 -21.528 15.339 0.363 0.56 72.59 O ATOM 0 H AGLU B 850 -20.108 16.681 0.594 0.44 50.51 H new ATOM 0 H BGLU B 850 -20.104 16.678 0.603 0.56 50.51 H new ATOM 0 HA AGLU B 850 -20.137 19.242 -0.104 0.44 56.75 H new ATOM 0 HA BGLU B 850 -20.182 19.240 -0.135 0.56 56.75 H new ATOM 0 HB2AGLU B 850 -21.774 17.130 -0.818 0.44 62.36 H new ATOM 0 HB2BGLU B 850 -22.033 18.782 -1.347 0.56 62.36 H new ATOM 0 HB3AGLU B 850 -22.586 18.452 -0.655 0.44 62.36 H new ATOM 0 HB3BGLU B 850 -21.152 17.504 -1.501 0.56 62.36 H new ATOM 0 HG2AGLU B 850 -21.894 18.201 -2.880 0.44 65.39 H new ATOM 0 HG2BGLU B 850 -23.242 17.480 0.375 0.56 65.39 H new ATOM 0 HG3AGLU B 850 -21.286 19.503 -2.275 0.44 65.39 H new ATOM 0 HG3BGLU B 850 -23.576 17.227 -1.128 0.56 65.39 H new ATOM 2789 N ASP B 851 -21.778 18.424 2.471 1.00 46.86 N ATOM 2790 CA ASP B 851 -22.400 18.959 3.678 1.00 44.85 C ATOM 2791 C ASP B 851 -21.775 20.249 4.191 1.00 41.14 C ATOM 2792 O ASP B 851 -20.554 20.440 4.236 1.00 41.08 O ATOM 2793 CB ASP B 851 -22.413 17.931 4.785 1.00 50.23 C ATOM 2794 CG ASP B 851 -23.416 18.266 5.919 1.00 50.25 C ATOM 2795 OD1 ASP B 851 -23.312 19.335 6.599 1.00 45.00 O ATOM 2796 OD2 ASP B 851 -24.270 17.387 6.168 1.00 50.73 O ATOM 0 H ASP B 851 -21.610 17.581 2.503 1.00 46.86 H new ATOM 0 HA ASP B 851 -23.307 19.178 3.412 1.00 44.85 H new ATOM 0 HB2 ASP B 851 -22.635 17.064 4.411 1.00 50.23 H new ATOM 0 HB3 ASP B 851 -21.522 17.858 5.161 1.00 50.23 H new ATOM 2797 N LYS B 852 -22.641 21.182 4.554 1.00 38.25 N ATOM 2798 CA LYS B 852 -22.179 22.477 5.008 1.00 38.57 C ATOM 2799 C LYS B 852 -21.270 22.433 6.235 1.00 34.50 C ATOM 2800 O LYS B 852 -20.529 23.428 6.521 1.00 33.87 O ATOM 2801 CB LYS B 852 -23.349 23.394 5.296 1.00 40.96 C ATOM 2802 CG LYS B 852 -24.316 22.841 6.331 1.00 44.11 C ATOM 2803 CD LYS B 852 -25.507 23.794 6.487 1.00 56.52 C ATOM 2804 CE LYS B 852 -26.332 23.483 7.743 1.00 55.71 C ATOM 2805 NZ LYS B 852 -27.737 23.984 7.684 1.00 56.77 N ATOM 0 H LYS B 852 -23.495 21.084 4.544 1.00 38.25 H new ATOM 0 HA LYS B 852 -21.644 22.819 4.275 1.00 38.57 H new ATOM 0 HB2 LYS B 852 -23.011 24.249 5.604 1.00 40.96 H new ATOM 0 HB3 LYS B 852 -23.831 23.560 4.471 1.00 40.96 H new ATOM 0 HG2 LYS B 852 -24.627 21.963 6.060 1.00 44.11 H new ATOM 0 HG3 LYS B 852 -23.864 22.732 7.182 1.00 44.11 H new ATOM 0 HD2 LYS B 852 -25.185 24.708 6.531 1.00 56.52 H new ATOM 0 HD3 LYS B 852 -26.076 23.731 5.704 1.00 56.52 H new ATOM 0 HE2 LYS B 852 -26.346 22.523 7.880 1.00 55.71 H new ATOM 0 HE3 LYS B 852 -25.891 23.873 8.514 1.00 55.71 H new ATOM 0 HZ1 LYS B 852 -28.160 23.773 8.438 1.00 56.77 H new ATOM 0 HZ2 LYS B 852 -27.733 24.868 7.584 1.00 56.77 H new ATOM 0 HZ3 LYS B 852 -28.157 23.610 6.994 1.00 56.77 H new ATOM 2806 N PHE B 853 -21.389 21.345 6.995 1.00 33.46 N ATOM 2807 CA PHE B 853 -20.549 21.138 8.207 1.00 34.76 C ATOM 2808 C PHE B 853 -19.036 21.121 7.889 1.00 33.07 C ATOM 2809 O PHE B 853 -18.198 21.400 8.736 1.00 31.65 O ATOM 2810 CB PHE B 853 -20.996 19.874 8.919 1.00 33.85 C ATOM 2811 CG PHE B 853 -20.409 19.696 10.294 1.00 35.00 C ATOM 2812 CD1 PHE B 853 -20.679 20.617 11.307 1.00 32.97 C ATOM 2813 CD2 PHE B 853 -19.647 18.565 10.607 1.00 31.95 C ATOM 2814 CE1 PHE B 853 -20.169 20.424 12.599 1.00 36.41 C ATOM 2815 CE2 PHE B 853 -19.144 18.374 11.887 1.00 33.69 C ATOM 2816 CZ PHE B 853 -19.391 19.305 12.885 1.00 35.85 C ATOM 0 H PHE B 853 -21.946 20.709 6.837 1.00 33.46 H new ATOM 0 HA PHE B 853 -20.678 21.896 8.799 1.00 34.76 H new ATOM 0 HB2 PHE B 853 -21.963 19.881 8.990 1.00 33.85 H new ATOM 0 HB3 PHE B 853 -20.757 19.107 8.375 1.00 33.85 H new ATOM 0 HD1 PHE B 853 -21.201 21.364 11.124 1.00 32.97 H new ATOM 0 HD2 PHE B 853 -19.475 17.932 9.948 1.00 31.95 H new ATOM 0 HE1 PHE B 853 -20.351 21.045 13.267 1.00 36.41 H new ATOM 0 HE2 PHE B 853 -18.638 17.617 12.076 1.00 33.69 H new ATOM 0 HZ PHE B 853 -19.040 19.183 13.738 1.00 35.85 H new ATOM 2817 N THR B 854 -18.697 20.908 6.636 1.00 36.57 N ATOM 2818 CA ATHR B 854 -17.304 21.059 6.134 0.45 37.03 C ATOM 2819 CA BTHR B 854 -17.310 21.043 6.189 0.55 37.72 C ATOM 2820 C THR B 854 -16.709 22.390 6.507 1.00 36.31 C ATOM 2821 O THR B 854 -15.499 22.508 6.702 1.00 31.42 O ATOM 2822 CB ATHR B 854 -17.194 20.897 4.576 0.45 39.43 C ATOM 2823 CB BTHR B 854 -17.226 20.787 4.673 0.55 39.79 C ATOM 2824 OG1ATHR B 854 -15.891 20.432 4.208 0.45 35.60 O ATOM 2825 OG1BTHR B 854 -18.302 21.481 4.017 0.55 51.84 O ATOM 2826 CG2ATHR B 854 -17.437 22.233 3.811 0.45 42.15 C ATOM 2827 CG2BTHR B 854 -17.355 19.325 4.392 0.55 34.84 C ATOM 0 H ATHR B 854 -19.259 20.669 6.030 0.45 36.57 H new ATOM 0 H BTHR B 854 -19.251 20.683 6.018 0.55 36.57 H new ATOM 0 HA ATHR B 854 -16.809 20.343 6.562 0.45 37.72 H new ATOM 0 HA BTHR B 854 -16.794 20.382 6.677 0.55 37.72 H new ATOM 0 HB ATHR B 854 -17.882 20.258 4.330 0.45 39.79 H new ATOM 0 HB BTHR B 854 -16.370 21.104 4.345 0.55 39.79 H new ATOM 0 HG1ATHR B 854 -15.848 20.349 3.373 0.45 51.84 H new ATOM 0 HG1BTHR B 854 -18.950 20.958 3.912 0.55 51.84 H new ATOM 0 HG21ATHR B 854 -17.358 22.079 2.857 0.45 34.84 H new ATOM 0 HG21BTHR B 854 -17.301 19.173 3.435 0.55 34.84 H new ATOM 0 HG22ATHR B 854 -18.326 22.564 4.012 0.45 34.84 H new ATOM 0 HG22BTHR B 854 -16.638 18.845 4.836 0.55 34.84 H new ATOM 0 HG23ATHR B 854 -16.778 22.889 4.088 0.45 34.84 H new ATOM 0 HG23BTHR B 854 -18.210 19.006 4.722 0.55 34.84 H new ATOM 2828 N ARG B 855 -17.548 23.429 6.561 1.00 33.94 N ATOM 2829 CA ARG B 855 -17.045 24.761 6.804 1.00 32.85 C ATOM 2830 C ARG B 855 -16.348 24.888 8.200 1.00 32.28 C ATOM 2831 O ARG B 855 -15.497 25.746 8.362 1.00 29.67 O ATOM 2832 CB ARG B 855 -18.218 25.728 6.679 1.00 37.50 C ATOM 2833 CG ARG B 855 -17.904 27.193 6.856 1.00 45.60 C ATOM 2834 CD ARG B 855 -19.127 28.072 6.510 1.00 50.33 C ATOM 2835 NE ARG B 855 -18.945 29.470 6.939 1.00 62.16 N ATOM 2836 CZ ARG B 855 -19.500 30.078 8.017 1.00 69.69 C ATOM 2837 NH1 ARG B 855 -20.343 29.467 8.876 1.00 62.61 N ATOM 2838 NH2 ARG B 855 -19.215 31.371 8.228 1.00 67.50 N ATOM 0 H ARG B 855 -18.400 23.375 6.460 1.00 33.94 H new ATOM 0 HA ARG B 855 -16.360 24.972 6.150 1.00 32.85 H new ATOM 0 HB2 ARG B 855 -18.619 25.607 5.804 1.00 37.50 H new ATOM 0 HB3 ARG B 855 -18.888 25.480 7.335 1.00 37.50 H new ATOM 0 HG2 ARG B 855 -17.631 27.360 7.772 1.00 45.60 H new ATOM 0 HG3 ARG B 855 -17.156 27.437 6.289 1.00 45.60 H new ATOM 0 HD2 ARG B 855 -19.282 28.046 5.553 1.00 50.33 H new ATOM 0 HD3 ARG B 855 -19.918 27.705 6.935 1.00 50.33 H new ATOM 0 HE ARG B 855 -18.429 29.955 6.451 1.00 62.16 H new ATOM 0 HH11 ARG B 855 -20.557 28.643 8.755 1.00 62.61 H new ATOM 0 HH12 ARG B 855 -20.666 29.902 9.544 1.00 62.61 H new ATOM 0 HH21 ARG B 855 -18.694 31.790 7.687 1.00 67.50 H new ATOM 0 HH22 ARG B 855 -19.553 31.781 8.904 1.00 67.50 H new ATOM 2839 N LEU B 856 -16.754 24.064 9.176 1.00 29.16 N ATOM 2840 CA LEU B 856 -16.142 24.086 10.532 1.00 33.95 C ATOM 2841 C LEU B 856 -14.623 23.763 10.451 1.00 31.83 C ATOM 2842 O LEU B 856 -13.797 24.425 11.083 1.00 34.05 O ATOM 2843 CB LEU B 856 -16.830 23.095 11.486 1.00 34.06 C ATOM 2844 CG LEU B 856 -18.025 23.576 12.316 1.00 38.84 C ATOM 2845 CD1 LEU B 856 -17.609 24.804 13.130 1.00 40.42 C ATOM 2846 CD2 LEU B 856 -19.170 23.932 11.386 1.00 43.74 C ATOM 0 H LEU B 856 -17.381 23.483 9.081 1.00 29.16 H new ATOM 0 HA LEU B 856 -16.264 24.981 10.886 1.00 33.95 H new ATOM 0 HB2 LEU B 856 -17.125 22.337 10.958 1.00 34.06 H new ATOM 0 HB3 LEU B 856 -16.157 22.766 12.103 1.00 34.06 H new ATOM 0 HG LEU B 856 -18.313 22.874 12.921 1.00 38.84 H new ATOM 0 HD11 LEU B 856 -18.362 25.113 13.658 1.00 40.42 H new ATOM 0 HD12 LEU B 856 -16.876 24.568 13.720 1.00 40.42 H new ATOM 0 HD13 LEU B 856 -17.325 25.510 12.529 1.00 40.42 H new ATOM 0 HD21 LEU B 856 -19.928 24.237 11.908 1.00 43.74 H new ATOM 0 HD22 LEU B 856 -18.889 24.637 10.782 1.00 43.74 H new ATOM 0 HD23 LEU B 856 -19.425 23.150 10.872 1.00 43.74 H new ATOM 2847 N GLY B 857 -14.289 22.785 9.611 1.00 33.56 N ATOM 2848 CA GLY B 857 -12.869 22.400 9.375 1.00 33.80 C ATOM 2849 C GLY B 857 -12.109 23.559 8.807 1.00 36.67 C ATOM 2850 O GLY B 857 -11.030 23.904 9.285 1.00 38.15 O ATOM 0 H GLY B 857 -14.860 22.324 9.162 1.00 33.56 H new ATOM 0 HA2 GLY B 857 -12.462 22.114 10.207 1.00 33.80 H new ATOM 0 HA3 GLY B 857 -12.828 21.647 8.765 1.00 33.80 H new ATOM 2851 N ILE B 858 -12.715 24.236 7.824 1.00 38.04 N ATOM 2852 CA ILE B 858 -12.076 25.386 7.225 1.00 33.74 C ATOM 2853 C ILE B 858 -11.850 26.466 8.256 1.00 33.44 C ATOM 2854 O ILE B 858 -10.806 27.132 8.276 1.00 31.87 O ATOM 2855 CB ILE B 858 -12.948 25.944 6.013 1.00 42.54 C ATOM 2856 CG1 ILE B 858 -12.899 24.980 4.827 1.00 45.31 C ATOM 2857 CG2 ILE B 858 -12.453 27.316 5.525 1.00 39.98 C ATOM 2858 CD1 ILE B 858 -14.203 24.913 4.051 1.00 50.95 C ATOM 0 H ILE B 858 -13.487 24.040 7.500 1.00 38.04 H new ATOM 0 HA ILE B 858 -11.213 25.109 6.879 1.00 33.74 H new ATOM 0 HB ILE B 858 -13.854 26.033 6.347 1.00 42.54 H new ATOM 0 HG12 ILE B 858 -12.187 25.252 4.227 1.00 45.31 H new ATOM 0 HG13 ILE B 858 -12.676 24.093 5.149 1.00 45.31 H new ATOM 0 HG21 ILE B 858 -13.009 27.618 4.790 1.00 39.98 H new ATOM 0 HG22 ILE B 858 -12.504 27.956 6.252 1.00 39.98 H new ATOM 0 HG23 ILE B 858 -11.534 27.241 5.225 1.00 39.98 H new ATOM 0 HD11 ILE B 858 -14.110 24.288 3.315 1.00 50.95 H new ATOM 0 HD12 ILE B 858 -14.915 24.616 4.639 1.00 50.95 H new ATOM 0 HD13 ILE B 858 -14.418 25.792 3.703 1.00 50.95 H new ATOM 2859 N GLN B 859 -12.871 26.702 9.097 1.00 36.02 N ATOM 2860 CA GLN B 859 -12.742 27.755 10.107 1.00 35.06 C ATOM 2861 C GLN B 859 -11.595 27.514 11.167 1.00 30.84 C ATOM 2862 O GLN B 859 -10.867 28.420 11.584 1.00 29.41 O ATOM 2863 CB GLN B 859 -14.114 27.885 10.801 1.00 37.38 C ATOM 2864 CG GLN B 859 -15.174 28.485 9.876 1.00 44.83 C ATOM 2865 CD GLN B 859 -16.532 28.658 10.508 1.00 43.72 C ATOM 2866 OE1 GLN B 859 -17.137 27.726 11.020 1.00 45.34 O ATOM 2867 NE2 GLN B 859 -17.025 29.861 10.445 1.00 46.50 N ATOM 0 H GLN B 859 -13.619 26.278 9.098 1.00 36.02 H new ATOM 0 HA GLN B 859 -12.480 28.574 9.658 1.00 35.06 H new ATOM 0 HB2 GLN B 859 -14.407 27.010 11.102 1.00 37.38 H new ATOM 0 HB3 GLN B 859 -14.024 28.441 11.591 1.00 37.38 H new ATOM 0 HG2 GLN B 859 -14.863 29.349 9.564 1.00 44.83 H new ATOM 0 HG3 GLN B 859 -15.264 27.917 9.095 1.00 44.83 H new ATOM 0 HE21 GLN B 859 -16.572 30.493 10.078 1.00 46.50 H new ATOM 0 HE22 GLN B 859 -17.804 30.024 10.771 1.00 46.50 H new ATOM 2868 N VAL B 860 -11.529 26.303 11.689 1.00 31.66 N ATOM 2869 CA VAL B 860 -10.536 26.033 12.735 1.00 32.55 C ATOM 2870 C VAL B 860 -9.196 25.977 12.051 1.00 31.13 C ATOM 2871 O VAL B 860 -8.230 26.489 12.617 1.00 27.80 O ATOM 2872 CB VAL B 860 -10.884 24.765 13.557 1.00 32.67 C ATOM 2873 CG1 VAL B 860 -9.823 24.460 14.603 1.00 32.08 C ATOM 2874 CG2 VAL B 860 -12.222 25.003 14.265 1.00 30.03 C ATOM 0 H VAL B 860 -12.027 25.638 11.468 1.00 31.66 H new ATOM 0 HA VAL B 860 -10.524 26.736 13.403 1.00 32.55 H new ATOM 0 HB VAL B 860 -10.932 24.009 12.951 1.00 32.67 H new ATOM 0 HG11 VAL B 860 -10.074 23.663 15.096 1.00 32.08 H new ATOM 0 HG12 VAL B 860 -8.970 24.314 14.166 1.00 32.08 H new ATOM 0 HG13 VAL B 860 -9.748 25.208 15.216 1.00 32.08 H new ATOM 0 HG21 VAL B 860 -12.457 24.219 14.785 1.00 30.03 H new ATOM 0 HG22 VAL B 860 -12.145 25.770 14.854 1.00 30.03 H new ATOM 0 HG23 VAL B 860 -12.912 25.171 13.605 1.00 30.03 H new ATOM 2875 N GLN B 861 -9.148 25.464 10.803 1.00 31.33 N ATOM 2876 CA GLN B 861 -7.834 25.444 10.090 1.00 34.11 C ATOM 2877 C GLN B 861 -7.314 26.836 9.908 1.00 30.90 C ATOM 2878 O GLN B 861 -6.120 27.125 10.117 1.00 32.09 O ATOM 2879 CB GLN B 861 -7.836 24.659 8.782 1.00 36.70 C ATOM 2880 CG GLN B 861 -6.420 24.673 8.191 1.00 38.45 C ATOM 2881 CD GLN B 861 -6.112 23.627 7.124 1.00 47.25 C ATOM 2882 OE1 GLN B 861 -6.979 22.846 6.662 1.00 46.56 O ATOM 2883 NE2 GLN B 861 -4.813 23.608 6.714 1.00 53.47 N ATOM 0 H GLN B 861 -9.816 25.140 10.369 1.00 31.33 H new ATOM 0 HA GLN B 861 -7.225 24.954 10.664 1.00 34.11 H new ATOM 0 HB2 GLN B 861 -8.125 23.746 8.939 1.00 36.70 H new ATOM 0 HB3 GLN B 861 -8.464 25.052 8.156 1.00 36.70 H new ATOM 0 HG2 GLN B 861 -6.260 25.550 7.810 1.00 38.45 H new ATOM 0 HG3 GLN B 861 -5.788 24.560 8.918 1.00 38.45 H new ATOM 0 HE21 GLN B 861 -4.247 24.159 7.054 1.00 53.47 H new ATOM 0 HE22 GLN B 861 -4.559 23.045 6.115 1.00 53.47 H new ATOM 2884 N ASP B 862 -8.202 27.783 9.635 1.00 34.44 N ATOM 2885 CA AASP B 862 -7.733 29.140 9.497 0.50 33.41 C ATOM 2886 CA BASP B 862 -7.774 29.179 9.504 0.50 33.57 C ATOM 2887 C ASP B 862 -7.219 29.751 10.780 1.00 33.01 C ATOM 2888 O ASP B 862 -6.291 30.564 10.755 1.00 30.90 O ATOM 2889 CB AASP B 862 -8.783 29.982 8.796 0.50 40.02 C ATOM 2890 CB BASP B 862 -8.908 30.100 9.049 0.50 39.85 C ATOM 2891 CG AASP B 862 -8.624 29.886 7.309 0.50 40.75 C ATOM 2892 CG BASP B 862 -8.415 31.533 8.780 0.50 41.96 C ATOM 2893 OD1AASP B 862 -9.297 29.042 6.686 0.50 42.93 O ATOM 2894 OD1BASP B 862 -7.335 31.692 8.137 0.50 43.62 O ATOM 2895 OD2AASP B 862 -7.695 30.555 6.805 0.50 46.29 O ATOM 2896 OD2BASP B 862 -9.070 32.495 9.249 0.50 46.84 O ATOM 0 H AASP B 862 -9.047 27.663 9.530 0.50 34.44 H new ATOM 0 H BASP B 862 -9.044 27.647 9.523 0.50 34.44 H new ATOM 0 HA AASP B 862 -6.943 29.119 8.934 0.50 33.57 H new ATOM 0 HA BASP B 862 -7.076 29.148 8.831 0.50 33.57 H new ATOM 0 HB2AASP B 862 -9.669 29.683 9.052 0.50 39.85 H new ATOM 0 HB2BASP B 862 -9.311 29.741 8.243 0.50 39.85 H new ATOM 0 HB3AASP B 862 -8.704 30.907 9.076 0.50 39.85 H new ATOM 0 HB3BASP B 862 -9.600 30.119 9.728 0.50 39.85 H new ATOM 2897 N ILE B 863 -7.784 29.344 11.901 1.00 31.29 N ATOM 2898 CA ILE B 863 -7.239 29.781 13.221 1.00 33.48 C ATOM 2899 C ILE B 863 -5.847 29.152 13.397 1.00 28.34 C ATOM 2900 O ILE B 863 -4.875 29.820 13.832 1.00 29.37 O ATOM 2901 CB ILE B 863 -8.140 29.287 14.362 1.00 37.52 C ATOM 2902 CG1 ILE B 863 -9.551 29.932 14.260 1.00 45.41 C ATOM 2903 CG2 ILE B 863 -7.455 29.465 15.711 1.00 36.47 C ATOM 2904 CD1 ILE B 863 -9.526 31.380 14.688 1.00 48.84 C ATOM 0 H ILE B 863 -8.469 28.826 11.943 1.00 31.29 H new ATOM 0 HA ILE B 863 -7.195 30.750 13.246 1.00 33.48 H new ATOM 0 HB ILE B 863 -8.284 28.332 14.276 1.00 37.52 H new ATOM 0 HG12 ILE B 863 -9.873 29.868 13.347 1.00 45.41 H new ATOM 0 HG13 ILE B 863 -10.175 29.439 14.816 1.00 45.41 H new ATOM 0 HG21 ILE B 863 -8.041 29.147 16.416 1.00 36.47 H new ATOM 0 HG22 ILE B 863 -6.629 28.957 15.724 1.00 36.47 H new ATOM 0 HG23 ILE B 863 -7.259 30.404 15.853 1.00 36.47 H new ATOM 0 HD11 ILE B 863 -10.418 31.755 14.614 1.00 48.84 H new ATOM 0 HD12 ILE B 863 -9.226 31.440 15.608 1.00 48.84 H new ATOM 0 HD13 ILE B 863 -8.919 31.876 14.117 1.00 48.84 H new ATOM 2905 N PHE B 864 -5.757 27.869 13.058 1.00 27.05 N ATOM 2906 CA PHE B 864 -4.403 27.194 13.141 1.00 29.24 C ATOM 2907 C PHE B 864 -3.395 27.936 12.269 1.00 27.86 C ATOM 2908 O PHE B 864 -2.351 28.385 12.736 1.00 30.14 O ATOM 2909 CB PHE B 864 -4.505 25.758 12.691 1.00 28.79 C ATOM 2910 CG PHE B 864 -3.161 25.101 12.540 1.00 35.53 C ATOM 2911 CD1 PHE B 864 -2.310 24.971 13.646 1.00 35.39 C ATOM 2912 CD2 PHE B 864 -2.695 24.712 11.284 1.00 33.57 C ATOM 2913 CE1 PHE B 864 -1.040 24.387 13.498 1.00 35.64 C ATOM 2914 CE2 PHE B 864 -1.445 24.129 11.130 1.00 33.95 C ATOM 2915 CZ PHE B 864 -0.610 23.981 12.232 1.00 32.48 C ATOM 0 H PHE B 864 -6.408 27.375 12.790 1.00 27.05 H new ATOM 0 HA PHE B 864 -4.103 27.214 14.063 1.00 29.24 H new ATOM 0 HB2 PHE B 864 -5.035 25.259 13.332 1.00 28.79 H new ATOM 0 HB3 PHE B 864 -4.976 25.721 11.844 1.00 28.79 H new ATOM 0 HD1 PHE B 864 -2.587 25.272 14.481 1.00 35.39 H new ATOM 0 HD2 PHE B 864 -3.232 24.846 10.536 1.00 33.57 H new ATOM 0 HE1 PHE B 864 -0.489 24.272 14.238 1.00 35.64 H new ATOM 0 HE2 PHE B 864 -1.166 23.838 10.292 1.00 33.95 H new ATOM 0 HZ PHE B 864 0.237 23.611 12.126 1.00 32.48 H new ATOM 2916 N GLU B 865 -3.744 28.113 10.991 1.00 28.78 N ATOM 2917 CA GLU B 865 -2.755 28.699 10.023 1.00 30.96 C ATOM 2918 C GLU B 865 -2.332 30.120 10.355 1.00 33.93 C ATOM 2919 O GLU B 865 -1.172 30.453 10.204 1.00 32.59 O ATOM 2920 CB GLU B 865 -3.267 28.619 8.568 1.00 32.55 C ATOM 2921 CG GLU B 865 -3.548 27.214 8.015 1.00 34.08 C ATOM 2922 CD GLU B 865 -2.313 26.289 7.837 1.00 38.61 C ATOM 2923 OE1 GLU B 865 -1.193 26.837 7.925 1.00 35.28 O ATOM 2924 OE2 GLU B 865 -2.476 25.031 7.613 1.00 30.50 O ATOM 0 H GLU B 865 -4.512 27.915 10.658 1.00 28.78 H new ATOM 0 HA GLU B 865 -1.961 28.148 10.112 1.00 30.96 H new ATOM 0 HB2 GLU B 865 -4.084 29.139 8.505 1.00 32.55 H new ATOM 0 HB3 GLU B 865 -2.613 29.046 7.993 1.00 32.55 H new ATOM 0 HG2 GLU B 865 -4.177 26.773 8.608 1.00 34.08 H new ATOM 0 HG3 GLU B 865 -3.986 27.307 7.155 1.00 34.08 H new ATOM 2925 N LYS B 866 -3.237 30.965 10.854 1.00 36.24 N ATOM 2926 CA LYS B 866 -2.848 32.335 11.261 1.00 38.07 C ATOM 2927 C LYS B 866 -1.991 32.307 12.454 1.00 34.53 C ATOM 2928 O LYS B 866 -1.074 33.122 12.577 1.00 33.49 O ATOM 2929 CB LYS B 866 -4.048 33.203 11.697 1.00 44.36 C ATOM 2930 CG LYS B 866 -4.973 33.634 10.592 1.00 59.76 C ATOM 2931 CD LYS B 866 -6.215 34.353 11.167 1.00 70.10 C ATOM 2932 CE LYS B 866 -6.858 35.319 10.175 1.00 67.64 C ATOM 2933 NZ LYS B 866 -7.456 34.618 9.013 1.00 62.19 N ATOM 0 H LYS B 866 -4.069 30.777 10.967 1.00 36.24 H new ATOM 0 HA LYS B 866 -2.411 32.701 10.476 1.00 38.07 H new ATOM 0 HB2 LYS B 866 -4.563 32.708 12.354 1.00 44.36 H new ATOM 0 HB3 LYS B 866 -3.709 33.996 12.141 1.00 44.36 H new ATOM 0 HG2 LYS B 866 -4.504 34.226 9.984 1.00 59.76 H new ATOM 0 HG3 LYS B 866 -5.251 32.861 10.077 1.00 59.76 H new ATOM 0 HD2 LYS B 866 -6.870 33.690 11.436 1.00 70.10 H new ATOM 0 HD3 LYS B 866 -5.959 34.840 11.966 1.00 70.10 H new ATOM 0 HE2 LYS B 866 -7.544 35.834 10.627 1.00 67.64 H new ATOM 0 HE3 LYS B 866 -6.190 35.949 9.861 1.00 67.64 H new ATOM 0 HZ1 LYS B 866 -7.894 35.204 8.506 1.00 62.19 H new ATOM 0 HZ2 LYS B 866 -6.812 34.234 8.534 1.00 62.19 H new ATOM 0 HZ3 LYS B 866 -8.022 33.995 9.301 1.00 62.19 H new ATOM 2934 N ASN B 867 -2.320 31.435 13.419 1.00 33.11 N ATOM 2935 CA ASN B 867 -1.463 31.420 14.616 1.00 32.08 C ATOM 2936 C ASN B 867 -0.076 30.846 14.265 1.00 27.60 C ATOM 2937 O ASN B 867 0.921 31.279 14.779 1.00 32.47 O ATOM 2938 CB ASN B 867 -2.164 30.696 15.776 1.00 33.25 C ATOM 2939 CG ASN B 867 -3.151 31.598 16.486 1.00 31.47 C ATOM 2940 OD1 ASN B 867 -2.744 32.495 17.207 1.00 33.59 O ATOM 2941 ND2 ASN B 867 -4.419 31.399 16.250 1.00 31.43 N ATOM 0 H ASN B 867 -2.981 30.885 13.408 1.00 33.11 H new ATOM 0 HA ASN B 867 -1.312 32.326 14.927 1.00 32.08 H new ATOM 0 HB2 ASN B 867 -2.626 29.914 15.437 1.00 33.25 H new ATOM 0 HB3 ASN B 867 -1.500 30.381 16.409 1.00 33.25 H new ATOM 0 HD21 ASN B 867 -5.009 31.912 16.609 1.00 31.43 H new ATOM 0 HD22 ASN B 867 -4.665 30.755 15.735 1.00 31.43 H new ATOM 2942 N PHE B 868 -0.027 29.880 13.360 1.00 30.24 N ATOM 2943 CA PHE B 868 1.275 29.303 12.928 1.00 29.76 C ATOM 2944 C PHE B 868 2.222 30.364 12.331 1.00 30.74 C ATOM 2945 O PHE B 868 3.329 30.533 12.754 1.00 31.24 O ATOM 2946 CB PHE B 868 0.955 28.181 11.922 1.00 32.46 C ATOM 2947 CG PHE B 868 2.164 27.564 11.254 1.00 35.54 C ATOM 2948 CD1 PHE B 868 3.187 26.979 12.015 1.00 35.52 C ATOM 2949 CD2 PHE B 868 2.283 27.553 9.849 1.00 38.28 C ATOM 2950 CE1 PHE B 868 4.323 26.426 11.407 1.00 35.50 C ATOM 2951 CE2 PHE B 868 3.420 27.010 9.235 1.00 42.51 C ATOM 2952 CZ PHE B 868 4.436 26.414 10.022 1.00 35.24 C ATOM 0 H PHE B 868 -0.717 29.537 12.978 1.00 30.24 H new ATOM 0 HA PHE B 868 1.754 28.948 13.694 1.00 29.76 H new ATOM 0 HB2 PHE B 868 0.463 27.482 12.382 1.00 32.46 H new ATOM 0 HB3 PHE B 868 0.368 28.536 11.236 1.00 32.46 H new ATOM 0 HD1 PHE B 868 3.110 26.958 12.942 1.00 35.52 H new ATOM 0 HD2 PHE B 868 1.602 27.909 9.326 1.00 38.28 H new ATOM 0 HE1 PHE B 868 5.002 26.067 11.931 1.00 35.50 H new ATOM 0 HE2 PHE B 868 3.508 27.041 8.310 1.00 42.51 H new ATOM 0 HZ PHE B 868 5.173 26.018 9.615 1.00 35.24 H new ATOM 2953 N ARG B 869 1.734 31.127 11.368 1.00 34.15 N ATOM 2954 CA ARG B 869 2.504 32.270 10.794 1.00 38.15 C ATOM 2955 C ARG B 869 2.870 33.332 11.833 1.00 40.64 C ATOM 2956 O ARG B 869 3.969 33.866 11.848 1.00 44.52 O ATOM 2957 CB ARG B 869 1.720 32.918 9.630 1.00 40.17 C ATOM 2958 CG ARG B 869 1.409 31.978 8.501 1.00 41.32 C ATOM 2959 CD ARG B 869 0.880 32.718 7.288 1.00 45.15 C ATOM 2960 NE ARG B 869 -0.382 33.423 7.549 1.00 48.22 N ATOM 2961 CZ ARG B 869 -1.596 32.933 7.311 1.00 48.50 C ATOM 2962 NH1 ARG B 869 -1.767 31.699 6.824 1.00 45.71 N ATOM 2963 NH2 ARG B 869 -2.660 33.674 7.591 1.00 54.63 N ATOM 0 H ARG B 869 0.956 31.015 11.018 1.00 34.15 H new ATOM 0 HA ARG B 869 3.338 31.900 10.464 1.00 38.15 H new ATOM 0 HB2 ARG B 869 0.889 33.280 9.975 1.00 40.17 H new ATOM 0 HB3 ARG B 869 2.233 33.665 9.284 1.00 40.17 H new ATOM 0 HG2 ARG B 869 2.210 31.487 8.258 1.00 41.32 H new ATOM 0 HG3 ARG B 869 0.754 31.325 8.794 1.00 41.32 H new ATOM 0 HD2 ARG B 869 1.546 33.357 6.990 1.00 45.15 H new ATOM 0 HD3 ARG B 869 0.748 32.087 6.563 1.00 45.15 H new ATOM 0 HE ARG B 869 -0.332 34.214 7.882 1.00 48.22 H new ATOM 0 HH11 ARG B 869 -1.084 31.204 6.658 1.00 45.71 H new ATOM 0 HH12 ARG B 869 -2.560 31.401 6.677 1.00 45.71 H new ATOM 0 HH21 ARG B 869 -2.561 34.461 7.922 1.00 54.63 H new ATOM 0 HH22 ARG B 869 -3.449 33.367 7.441 1.00 54.63 H new ATOM 2964 N ASN B 870 1.967 33.643 12.735 1.00 39.75 N ATOM 2965 CA ASN B 870 2.311 34.612 13.743 1.00 41.64 C ATOM 2966 C ASN B 870 3.362 34.099 14.709 1.00 43.56 C ATOM 2967 O ASN B 870 4.302 34.801 15.035 1.00 41.24 O ATOM 2968 CB ASN B 870 1.063 34.982 14.525 1.00 45.99 C ATOM 2969 CG ASN B 870 1.354 35.975 15.592 1.00 56.98 C ATOM 2970 OD1 ASN B 870 1.247 35.684 16.787 1.00 70.79 O ATOM 2971 ND2 ASN B 870 1.785 37.154 15.179 1.00 72.68 N ATOM 0 H ASN B 870 1.173 33.316 12.782 1.00 39.75 H new ATOM 0 HA ASN B 870 2.681 35.385 13.288 1.00 41.64 H new ATOM 0 HB2 ASN B 870 0.397 35.344 13.919 1.00 45.99 H new ATOM 0 HB3 ASN B 870 0.681 34.183 14.922 1.00 45.99 H new ATOM 0 HD21 ASN B 870 2.005 37.756 15.752 1.00 72.68 H new ATOM 0 HD22 ASN B 870 1.846 37.319 14.337 1.00 72.68 H new ATOM 2972 N ILE B 871 3.190 32.872 15.207 1.00 43.02 N ATOM 2973 CA ILE B 871 4.097 32.365 16.266 1.00 39.72 C ATOM 2974 C ILE B 871 5.516 32.200 15.747 1.00 35.57 C ATOM 2975 O ILE B 871 6.452 32.593 16.421 1.00 38.06 O ATOM 2976 CB ILE B 871 3.556 31.071 16.872 1.00 39.06 C ATOM 2977 CG1 ILE B 871 2.329 31.442 17.697 1.00 38.34 C ATOM 2978 CG2 ILE B 871 4.590 30.407 17.782 1.00 41.44 C ATOM 2979 CD1 ILE B 871 1.407 30.269 18.009 1.00 36.65 C ATOM 0 H ILE B 871 2.575 32.324 14.960 1.00 43.02 H new ATOM 0 HA ILE B 871 4.131 33.026 16.975 1.00 39.72 H new ATOM 0 HB ILE B 871 3.340 30.443 16.164 1.00 39.06 H new ATOM 0 HG12 ILE B 871 2.621 31.841 18.531 1.00 38.34 H new ATOM 0 HG13 ILE B 871 1.824 32.119 17.220 1.00 38.34 H new ATOM 0 HG21 ILE B 871 4.219 29.590 18.151 1.00 41.44 H new ATOM 0 HG22 ILE B 871 5.386 30.197 17.269 1.00 41.44 H new ATOM 0 HG23 ILE B 871 4.822 31.012 18.504 1.00 41.44 H new ATOM 0 HD11 ILE B 871 0.653 30.580 18.534 1.00 36.65 H new ATOM 0 HD12 ILE B 871 1.085 29.881 17.180 1.00 36.65 H new ATOM 0 HD13 ILE B 871 1.895 29.598 18.512 1.00 36.65 H new ATOM 2980 N PHE B 872 5.652 31.656 14.544 1.00 36.80 N ATOM 2981 CA PHE B 872 6.945 31.374 13.921 1.00 36.30 C ATOM 2982 C PHE B 872 7.410 32.479 12.927 1.00 42.75 C ATOM 2983 O PHE B 872 8.388 32.288 12.186 1.00 44.37 O ATOM 2984 CB PHE B 872 6.866 30.027 13.183 1.00 39.41 C ATOM 2985 CG PHE B 872 6.809 28.833 14.109 1.00 38.97 C ATOM 2986 CD1 PHE B 872 7.967 28.262 14.607 1.00 41.90 C ATOM 2987 CD2 PHE B 872 5.597 28.284 14.482 1.00 40.54 C ATOM 2988 CE1 PHE B 872 7.915 27.139 15.443 1.00 36.36 C ATOM 2989 CE2 PHE B 872 5.534 27.183 15.314 1.00 39.05 C ATOM 2990 CZ PHE B 872 6.701 26.602 15.792 1.00 36.96 C ATOM 0 H PHE B 872 4.981 31.434 14.054 1.00 36.80 H new ATOM 0 HA PHE B 872 7.601 31.347 14.635 1.00 36.30 H new ATOM 0 HB2 PHE B 872 6.080 30.024 12.614 1.00 39.41 H new ATOM 0 HB3 PHE B 872 7.637 29.939 12.601 1.00 39.41 H new ATOM 0 HD1 PHE B 872 8.792 28.629 14.383 1.00 41.90 H new ATOM 0 HD2 PHE B 872 4.808 28.663 14.167 1.00 40.54 H new ATOM 0 HE1 PHE B 872 8.702 26.758 15.761 1.00 36.36 H new ATOM 0 HE2 PHE B 872 4.708 26.830 15.555 1.00 39.05 H new ATOM 0 HZ PHE B 872 6.660 25.855 16.344 1.00 36.96 H new ATOM 2991 N ALA B 873 6.714 33.623 12.930 1.00 42.65 N ATOM 2992 CA ALA B 873 7.026 34.785 12.065 1.00 44.25 C ATOM 2993 C ALA B 873 7.227 34.422 10.620 1.00 43.37 C ATOM 2994 O ALA B 873 8.288 34.693 10.063 1.00 46.05 O ATOM 2995 CB ALA B 873 8.261 35.508 12.599 1.00 43.58 C ATOM 0 H ALA B 873 6.035 33.753 13.442 1.00 42.65 H new ATOM 0 HA ALA B 873 6.252 35.369 12.094 1.00 44.25 H new ATOM 0 HB1 ALA B 873 8.462 36.268 12.031 1.00 43.58 H new ATOM 0 HB2 ALA B 873 8.090 35.817 13.502 1.00 43.58 H new ATOM 0 HB3 ALA B 873 9.016 34.899 12.603 1.00 43.58 H new ATOM 2996 N ILE B 874 6.257 33.735 10.025 1.00 46.40 N ATOM 2997 CA ILE B 874 6.383 33.287 8.626 1.00 48.80 C ATOM 2998 C ILE B 874 6.116 34.540 7.816 1.00 62.49 C ATOM 2999 O ILE B 874 5.231 35.320 8.215 1.00 63.90 O ATOM 3000 CB ILE B 874 5.316 32.244 8.255 1.00 51.04 C ATOM 3001 CG1 ILE B 874 5.426 30.977 9.136 1.00 57.36 C ATOM 3002 CG2 ILE B 874 5.343 31.893 6.769 1.00 50.71 C ATOM 3003 CD1 ILE B 874 6.481 30.010 8.741 1.00 60.26 C ATOM 0 H ILE B 874 5.518 33.515 10.406 1.00 46.40 H new ATOM 0 HA ILE B 874 7.248 32.878 8.469 1.00 48.80 H new ATOM 0 HB ILE B 874 4.454 32.652 8.434 1.00 51.04 H new ATOM 0 HG12 ILE B 874 5.589 31.253 10.052 1.00 57.36 H new ATOM 0 HG13 ILE B 874 4.571 30.520 9.125 1.00 57.36 H new ATOM 0 HG21 ILE B 874 4.657 31.234 6.579 1.00 50.71 H new ATOM 0 HG22 ILE B 874 5.178 32.692 6.245 1.00 50.71 H new ATOM 0 HG23 ILE B 874 6.212 31.529 6.538 1.00 50.71 H new ATOM 0 HD11 ILE B 874 6.472 29.254 9.349 1.00 60.26 H new ATOM 0 HD12 ILE B 874 6.314 29.700 7.837 1.00 60.26 H new ATOM 0 HD13 ILE B 874 7.348 30.444 8.778 1.00 60.26 H new ATOM 3004 N GLN B 875 6.862 34.748 6.719 1.00 73.32 N ATOM 3005 CA GLN B 875 6.534 35.762 5.676 1.00 83.61 C ATOM 3006 C GLN B 875 5.002 35.813 5.320 1.00103.02 C ATOM 3007 O GLN B 875 4.319 34.771 5.327 1.00105.52 O ATOM 3008 CB GLN B 875 7.371 35.497 4.402 1.00 84.18 C ATOM 3009 CG GLN B 875 7.180 34.107 3.745 1.00 89.43 C ATOM 3010 CD GLN B 875 7.299 34.102 2.202 1.00 90.03 C ATOM 3011 OE1 GLN B 875 8.118 34.811 1.617 1.00 95.13 O ATOM 3012 NE2 GLN B 875 6.484 33.285 1.548 1.00 85.49 N ATOM 0 H GLN B 875 7.580 34.305 6.551 1.00 73.32 H new ATOM 0 HA GLN B 875 6.759 36.629 6.047 1.00 83.61 H new ATOM 0 HB2 GLN B 875 7.155 36.178 3.746 1.00 84.18 H new ATOM 0 HB3 GLN B 875 8.309 35.605 4.624 1.00 84.18 H new ATOM 0 HG2 GLN B 875 7.839 33.496 4.110 1.00 89.43 H new ATOM 0 HG3 GLN B 875 6.307 33.763 3.991 1.00 89.43 H new ATOM 0 HE21 GLN B 875 5.921 32.801 1.982 1.00 85.49 H new ATOM 0 HE22 GLN B 875 6.518 33.240 0.690 1.00 85.49 H new ATOM 3013 N GLU B 876 4.468 37.012 5.041 1.00110.18 N ATOM 3014 CA GLU B 876 3.027 37.192 4.701 1.00113.11 C ATOM 3015 C GLU B 876 2.816 37.282 3.186 1.00115.91 C ATOM 3016 O GLU B 876 3.509 36.616 2.406 1.00113.40 O ATOM 3017 CB GLU B 876 2.434 38.439 5.379 1.00 99.90 C ATOM 0 H GLU B 876 4.920 37.744 5.041 1.00110.18 H new ATOM 0 HA GLU B 876 2.563 36.409 5.036 1.00113.11 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.290 7.801 4.186 1.00 33.55 ZN2+ HETATM 3020 ZN ZN A 902 22.500 -6.405 2.808 1.00 42.02 ZN2+ HETATM 3021 ZN ZN A 903 34.882 -20.540 14.474 0.43 86.41 ZN2+ HETATM 3022 O1 MES A 904 19.471 32.135 23.768 0.59 51.67 O HETATM 3023 C2 MES A 904 18.717 31.938 24.953 0.59 47.40 C HETATM 3024 C3 MES A 904 18.642 30.452 25.182 0.59 47.38 C HETATM 3025 N4 MES A 904 17.967 29.761 24.056 0.59 45.73 N HETATM 3026 C5 MES A 904 18.326 30.272 22.706 0.59 44.25 C HETATM 3027 C6 MES A 904 18.764 31.735 22.600 0.59 47.45 C HETATM 3028 C7 MES A 904 18.146 28.266 24.077 0.59 43.49 C HETATM 3029 C8 MES A 904 18.063 27.628 25.451 0.59 38.72 C HETATM 3030 S MES A 904 17.362 26.090 25.596 0.59 40.32 S HETATM 3031 O1S MES A 904 18.071 25.298 26.631 0.59 38.89 O HETATM 3032 O2S MES A 904 17.321 25.342 24.332 0.59 37.64 O HETATM 3033 O3S MES A 904 15.957 26.271 26.077 0.59 37.42 O HETATM 0 HN4 MES A 904 17.139 29.947 24.193 0.59 45.73 H new HETATM 0 H82 MES A 904 18.964 27.575 25.805 0.59 38.72 H new HETATM 0 H81 MES A 904 17.568 28.232 26.026 0.59 38.72 H new HETATM 0 H72 MES A 904 17.470 27.865 23.508 0.59 43.49 H new HETATM 0 H71 MES A 904 19.008 28.052 23.688 0.59 43.49 H new HETATM 0 H62 MES A 904 17.987 32.302 22.477 0.59 47.45 H new HETATM 0 H61 MES A 904 19.327 31.853 21.819 0.59 47.45 H new HETATM 0 H52 MES A 904 19.042 29.719 22.357 0.59 44.25 H new HETATM 0 H51 MES A 904 17.560 30.145 22.124 0.59 44.25 H new HETATM 0 H32 MES A 904 19.537 30.095 25.292 0.59 47.38 H new HETATM 0 H31 MES A 904 18.162 30.274 26.006 0.59 47.38 H new HETATM 0 H22 MES A 904 19.139 32.381 25.706 0.59 47.40 H new HETATM 0 H21 MES A 904 17.829 32.317 24.862 0.59 47.40 H new HETATM 3034 C1 EDO A 905 31.804 -0.398 31.990 1.00 81.56 C HETATM 3035 O1 EDO A 905 30.431 0.029 31.914 1.00 84.16 O HETATM 3036 C2 EDO A 905 31.944 -1.878 32.348 1.00 74.93 C HETATM 3037 O2 EDO A 905 33.100 -2.464 31.707 1.00 65.32 O HETATM 0 HO2 EDO A 905 33.157 -3.275 31.919 1.00 65.32 H new HETATM 0 HO1 EDO A 905 30.143 -0.090 31.134 1.00 84.16 H new HETATM 0 H22 EDO A 905 32.021 -1.975 33.310 1.00 74.93 H new HETATM 0 H21 EDO A 905 31.144 -2.356 32.078 1.00 74.93 H new HETATM 0 H12 EDO A 905 32.238 -0.233 31.138 1.00 81.56 H new HETATM 0 H11 EDO A 905 32.269 0.136 32.653 1.00 81.56 H new HETATM 3038 ZN ZN B 901 -10.318 25.319 30.957 1.00 29.45 ZN2+ HETATM 3039 ZN ZN B 902 0.941 34.608 32.206 1.00 37.41 ZN2+ HETATM 3040 C1 EDO B 903 12.955 26.787 28.688 1.00 65.58 C HETATM 3041 O1 EDO B 903 11.651 26.408 29.132 1.00 57.56 O HETATM 3042 C2 EDO B 903 13.132 26.599 27.188 1.00 66.19 C HETATM 3043 O2 EDO B 903 12.115 27.272 26.438 1.00 63.48 O HETATM 0 HO2 EDO B 903 12.244 27.149 25.617 1.00 63.48 H new HETATM 0 HO1 EDO B 903 11.105 26.486 28.498 1.00 57.56 H new HETATM 0 H22 EDO B 903 14.003 26.933 26.922 1.00 66.19 H new HETATM 0 H21 EDO B 903 13.115 25.652 26.977 1.00 66.19 H new HETATM 0 H12 EDO B 903 13.115 27.716 28.916 1.00 65.58 H new HETATM 0 H11 EDO B 903 13.620 26.261 29.159 1.00 65.58 H new HETATM 3044 O HOH A1001 16.081 23.232 27.475 1.00129.62 O HETATM 3045 O HOH A1002 44.969 1.199 23.218 1.00 49.08 O HETATM 3046 O HOH A1003 34.923 4.994 6.964 1.00 41.61 O HETATM 3047 O HOH A1004 19.777 25.397 33.337 1.00 66.90 O HETATM 3048 O HOH A1005 19.285 0.025 27.616 1.00 66.32 O HETATM 3049 O HOH A1006 16.805 -1.862 9.484 1.00 48.10 O HETATM 3050 O HOH A1007 19.174 5.309 29.093 1.00 59.24 O HETATM 3051 O HOH A1008 39.286 -10.191 24.548 1.00 54.49 O HETATM 3052 O HOH A1009 20.901 33.963 24.420 1.00 83.06 O HETATM 3053 O HOH A1010 22.899 8.718 -2.079 1.00 37.73 O HETATM 3054 O HOH A1011 16.179 15.599 34.830 1.00 53.24 O HETATM 3055 O HOH A1012 14.937 -4.700 -6.491 1.00 58.10 O HETATM 3056 O HOH A1013 29.273 14.954 30.942 1.00 43.31 O HETATM 3057 O HOH A1014 30.776 6.683 -0.639 1.00 52.31 O HETATM 3058 O HOH A1015 24.446 -1.421 -4.804 1.00 63.11 O HETATM 3059 O HOH A1016 25.834 22.297 14.659 1.00 40.30 O HETATM 3060 O HOH A1017 23.149 -13.696 18.235 1.00 72.70 O HETATM 3061 O HOH A1018 19.688 16.029 33.985 1.00 55.38 O HETATM 3062 O HOH A1019 14.275 4.820 29.415 1.00 67.33 O HETATM 3063 O HOH A1020 36.356 0.692 30.268 1.00 54.82 O HETATM 3064 O HOH A1021 37.074 12.982 14.815 1.00 54.21 O HETATM 3065 O HOH A1022 23.161 -8.981 26.778 1.00 55.80 O HETATM 3066 O HOH A1023 18.943 11.137 -2.453 1.00 46.62 O HETATM 3067 O HOH A1024 48.009 -0.774 24.425 1.00 57.99 O HETATM 3068 O HOH A1025 30.018 -17.119 27.391 1.00 70.18 O HETATM 3069 O HOH A1026 46.157 -7.362 17.748 1.00 64.11 O HETATM 3070 O HOH A1027 17.249 27.535 32.461 1.00 67.22 O HETATM 3071 O HOH A1028 32.509 21.950 20.322 1.00 36.96 O HETATM 3072 O HOH A1029 24.552 17.968 24.962 1.00 28.54 O HETATM 3073 O HOH A1030 13.916 5.086 26.541 1.00 67.80 O HETATM 3074 O HOH A1031 35.384 10.234 25.599 1.00 30.98 O HETATM 3075 O BHOH A1032 19.150 12.807 29.836 0.64 32.09 O HETATM 3076 O HOH A1033 19.215 -5.570 12.824 1.00 67.43 O HETATM 3077 O HOH A1034 14.805 4.364 23.504 1.00 37.71 O HETATM 3078 O HOH A1035 34.692 -1.580 8.029 1.00 29.54 O HETATM 3079 O HOH A1036 29.033 -10.763 4.030 1.00 52.97 O HETATM 3080 O HOH A1037 19.381 -11.292 2.497 1.00 61.40 O HETATM 3081 O HOH A1038 30.304 -5.706 -0.679 1.00 67.86 O HETATM 3082 O HOH A1039 19.670 24.339 24.062 1.00 58.04 O HETATM 3083 O HOH A1040 31.795 -15.800 25.195 1.00 69.87 O HETATM 3084 O HOH A1041 15.535 3.057 16.842 1.00 39.82 O HETATM 3085 O HOH A1042 40.134 -7.179 18.588 1.00 40.81 O HETATM 3086 O HOH A1043 13.194 6.419 14.076 1.00 43.35 O HETATM 3087 O HOH A1044 31.643 -10.109 7.127 1.00 50.27 O HETATM 3088 O HOH A1045 26.566 -3.846 28.655 1.00 39.24 O HETATM 3089 O HOH A1046 10.859 6.557 25.602 1.00 67.08 O HETATM 3090 O HOH A1047 31.914 8.440 28.429 1.00 25.83 O HETATM 3091 O HOH A1048 30.980 -11.651 19.355 1.00 57.52 O HETATM 3092 O HOH A1049 31.429 -9.832 21.184 1.00 43.18 O HETATM 3093 O HOH A1050 35.069 17.873 22.035 1.00 54.15 O HETATM 3094 O HOH A1051 14.397 -0.059 27.733 1.00 76.06 O HETATM 3095 O HOH A1052 30.951 21.178 13.413 1.00 40.15 O HETATM 3096 O HOH A1053 23.465 -14.139 33.699 1.00 40.65 O HETATM 3097 O HOH A1054 32.662 6.353 5.209 1.00 56.70 O HETATM 3098 O HOH A1055 35.637 -1.835 31.727 1.00 47.55 O HETATM 3099 O HOH A1056 22.320 17.601 15.892 1.00 35.13 O HETATM 3100 O HOH A1057 25.974 18.954 35.839 1.00 63.97 O HETATM 3101 O HOH A1058 19.695 -6.421 -5.522 1.00 84.72 O HETATM 3102 O HOH A1059 10.182 0.396 -0.597 1.00 98.66 O HETATM 3103 O HOH A1060 37.677 8.169 25.567 1.00 52.24 O HETATM 3104 O HOH A1061 28.898 7.271 6.365 1.00 34.93 O HETATM 3105 O BHOH A1062 21.092 8.634 29.676 0.92 55.98 O HETATM 3106 O HOH A1063 24.242 -13.397 22.144 1.00 34.42 O HETATM 3107 O HOH A1064 31.419 25.047 29.525 1.00 77.59 O HETATM 3108 O HOH A1065 30.602 21.982 32.617 1.00 53.91 O HETATM 3109 O HOH A1066 14.411 1.058 7.737 1.00 62.83 O HETATM 3110 O HOH A1067 18.777 26.857 18.281 1.00 65.31 O HETATM 3111 O HOH A1068 24.844 27.719 28.971 1.00 33.60 O HETATM 3112 O HOH A1069 20.043 30.966 27.659 1.00124.41 O HETATM 3113 O HOH A1070 22.149 6.321 32.620 1.00 61.17 O HETATM 3114 O HOH A1071 28.851 -15.977 29.772 1.00 60.44 O HETATM 3115 O HOH A1072 28.757 0.165 -4.658 1.00 64.48 O HETATM 3116 O HOH A1073 22.783 -8.102 10.390 1.00 53.30 O HETATM 3117 O HOH A1074 20.862 -0.584 29.628 1.00 60.15 O HETATM 3118 O HOH A1075 30.360 -21.194 23.347 1.00 34.40 O HETATM 3119 O HOH A1076 11.456 23.823 28.255 1.00 50.89 O HETATM 3120 O HOH A1077 12.943 5.421 19.884 1.00 60.37 O HETATM 3121 O HOH A1078 20.185 -6.912 26.238 1.00 50.66 O HETATM 3122 O HOH A1079 37.435 11.450 22.630 1.00 46.44 O HETATM 3123 O HOH A1080 16.263 -0.192 2.738 1.00 38.73 O HETATM 3124 O HOH A1081 35.544 -20.468 19.723 1.00 57.37 O HETATM 3125 O HOH A1082 32.003 16.686 28.979 1.00 28.36 O HETATM 3126 O HOH A1083 14.776 10.942 8.150 1.00 53.67 O HETATM 3127 O HOH A1084 36.513 -3.338 9.156 1.00 31.91 O HETATM 3128 O HOH A1085 27.780 -11.177 1.440 1.00 67.91 O HETATM 3129 O HOH A1086 38.769 -9.474 15.472 1.00 41.83 O HETATM 3130 O HOH A1087 44.313 7.467 12.710 1.00 54.22 O HETATM 3131 O HOH A1088 26.007 11.306 9.020 1.00 51.91 O HETATM 3132 O HOH A1089 24.395 17.461 19.146 1.00 28.38 O HETATM 3133 O HOH A1090 13.746 6.029 11.735 1.00 60.74 O HETATM 3134 O HOH A1091 34.170 -13.896 20.978 1.00 61.87 O HETATM 3135 O HOH A1092 17.717 1.749 15.800 1.00 26.74 O HETATM 3136 O HOH A1093 24.438 7.231 9.026 1.00 27.62 O HETATM 3137 O HOH A1094 28.680 -8.804 33.872 1.00153.04 O HETATM 3138 O HOH A1095 20.623 3.064 28.724 1.00 59.02 O HETATM 3139 O HOH A1096 25.667 15.793 23.669 1.00 25.87 O HETATM 3140 O HOH A1097 19.973 11.496 12.193 1.00 33.52 O HETATM 3141 O HOH A1098 33.883 -8.776 34.055 1.00 88.15 O HETATM 3142 O HOH A1099 32.179 -6.514 32.476 1.00 42.74 O HETATM 3143 O HOH A1100 21.412 -4.972 16.739 1.00 37.28 O HETATM 3144 O HOH A1101 19.487 -7.927 -3.128 1.00 63.85 O HETATM 3145 O HOH A1102 37.416 -2.949 30.424 1.00 48.45 O HETATM 3146 O HOH A1103 26.258 20.810 32.035 1.00 40.04 O HETATM 3147 O HOH A1104 20.357 -9.228 8.417 1.00 54.30 O HETATM 3148 O HOH A1105 29.691 -2.876 3.318 1.00 34.93 O HETATM 3149 O HOH A1106 27.979 27.230 28.480 1.00 46.33 O HETATM 3150 O HOH A1107 33.259 23.865 30.469 1.00 74.51 O HETATM 3151 O HOH A1108 12.091 7.718 16.808 1.00 59.28 O HETATM 3152 O HOH A1109 28.535 11.096 -4.749 1.00 63.24 O HETATM 3153 O HOH A1110 15.194 -4.744 27.211 1.00 67.73 O HETATM 3154 O HOH A1111 27.099 -8.890 15.938 1.00 49.65 O HETATM 3155 O HOH A1112 26.917 -9.430 31.502 1.00 52.32 O HETATM 3156 O HOH A1113 18.119 30.252 28.860 1.00 46.00 O HETATM 3157 O HOH A1114 41.958 1.664 14.613 1.00 52.40 O HETATM 3158 O HOH A1115 11.475 20.835 26.323 1.00 39.13 O HETATM 3159 O HOH A1116 40.295 -0.117 10.221 1.00 50.57 O HETATM 3160 O HOH A1117 40.480 -0.025 12.902 1.00 36.46 O HETATM 3161 O HOH A1118 19.328 28.016 20.655 1.00 82.53 O HETATM 3162 O BHOH A1119 21.046 11.271 28.535 0.62 32.41 O HETATM 3163 O HOH A1120 24.179 -8.669 15.250 1.00 58.34 O HETATM 3164 O HOH A1121 15.439 25.784 22.304 1.00 30.22 O HETATM 3165 O HOH A1122 28.208 17.150 23.857 1.00 26.13 O HETATM 3166 O HOH A1123 23.328 -8.045 29.650 1.00 53.48 O HETATM 3167 O HOH A1124 21.489 -9.494 24.181 1.00 71.70 O HETATM 3168 O HOH A1125 30.057 22.474 21.626 1.00 32.22 O HETATM 3169 O HOH A1126 23.859 -11.342 20.529 1.00 52.45 O HETATM 3170 O HOH A1127 20.834 -8.724 30.039 1.00 67.91 O HETATM 3171 O HOH A1128 38.114 3.439 8.652 1.00 65.19 O HETATM 3172 O HOH A1129 25.761 8.003 29.004 1.00 48.43 O HETATM 3173 O HOH A1130 23.573 -10.257 23.621 1.00 88.04 O HETATM 3174 O HOH A1131 34.331 4.204 9.268 1.00 34.75 O HETATM 3175 O HOH A1132 34.924 2.951 -2.147 1.00 97.51 O HETATM 3176 O HOH A1133 9.273 7.783 3.272 1.00 74.91 O HETATM 3177 O HOH A1134 31.209 12.745 9.610 1.00 56.44 O HETATM 3178 O HOH A1135 15.536 3.687 10.232 1.00 34.09 O HETATM 3179 O HOH A1136 24.162 15.625 10.417 1.00 50.09 O HETATM 3180 O HOH A1137 21.638 -4.320 -5.474 1.00 86.62 O HETATM 3181 O HOH A1138 35.751 11.616 18.711 1.00 39.77 O HETATM 3182 O HOH A1139 22.036 26.135 24.219 1.00 36.87 O HETATM 3183 O HOH A1140 34.079 -12.161 27.577 1.00 46.77 O HETATM 3184 O HOH A1141 34.696 21.985 16.837 1.00 67.55 O HETATM 3185 O HOH A1142 39.145 -8.635 12.799 1.00 46.26 O HETATM 3186 O HOH A1143 39.816 -7.853 25.478 1.00 44.36 O HETATM 3187 O HOH A1144 24.550 -2.057 28.067 1.00 33.36 O HETATM 3188 O HOH A1145 17.631 -12.964 28.070 1.00 68.77 O HETATM 3189 O HOH A1146 24.037 10.392 1.329 1.00 40.75 O HETATM 3190 O HOH A1147 17.152 -1.619 27.449 1.00 81.72 O HETATM 3191 O HOH A1148 39.944 4.899 26.224 1.00 56.11 O HETATM 3192 O HOH A1149 37.618 8.018 23.135 1.00 35.57 O HETATM 3193 O HOH A1150 32.078 -4.311 33.635 1.00 58.59 O HETATM 3194 O HOH A1151 44.123 3.352 15.345 1.00 67.06 O HETATM 3195 O HOH A1152 14.812 1.708 23.341 1.00 47.00 O HETATM 3196 O HOH A1153 17.660 -0.291 17.140 1.00 36.71 O HETATM 3197 O HOH A1154 25.493 -12.720 5.424 1.00 59.80 O HETATM 3198 O HOH A1155 33.123 15.287 11.924 1.00 59.68 O HETATM 3199 O HOH A1156 32.561 -16.719 22.664 1.00 69.35 O HETATM 3200 O HOH A1157 22.368 0.229 -6.444 1.00 54.89 O HETATM 3201 O HOH A1158 35.825 19.210 18.274 1.00 88.53 O HETATM 3202 O HOH A1159 34.503 -13.834 9.498 1.00 61.64 O HETATM 3203 O HOH A1160 28.998 -7.632 31.208 1.00 35.48 O HETATM 3204 O HOH A1161 26.939 -21.003 11.181 1.00 82.11 O HETATM 3205 O HOH A1162 25.548 23.107 34.174 1.00 55.00 O HETATM 3206 O HOH A1163 27.607 -0.798 31.528 1.00 68.42 O HETATM 3207 O HOH A1164 44.318 5.385 21.247 1.00 48.65 O HETATM 3208 O HOH A1165 32.407 6.106 10.062 1.00 30.31 O HETATM 3209 O HOH A1166 19.851 -6.226 23.504 1.00 45.27 O HETATM 3210 O HOH A1167 19.918 19.034 20.106 1.00 39.87 O HETATM 3211 O HOH A1168 24.987 9.183 -3.714 1.00 55.99 O HETATM 3212 O HOH A1169 16.695 8.170 11.310 1.00 39.06 O HETATM 3213 O HOH A1170 38.949 3.333 14.701 1.00 33.69 O HETATM 3214 O HOH A1171 21.099 19.998 22.083 1.00 37.93 O HETATM 3215 O HOH A1172 30.389 23.369 26.051 1.00 55.96 O HETATM 3216 O HOH A1173 42.618 -7.102 21.453 1.00 44.69 O HETATM 3217 O HOH A1174 28.447 17.731 11.516 1.00 33.59 O HETATM 3218 O HOH A1175 21.795 26.430 38.266 1.00 67.81 O HETATM 3219 O HOH A1176 30.102 -11.902 15.625 1.00 46.59 O HETATM 3220 O HOH A1177 21.746 -13.537 14.973 1.00 66.55 O HETATM 3221 O HOH A1178 12.664 -2.865 27.248 1.00 64.09 O HETATM 3222 O HOH A1179 32.259 3.344 28.894 1.00 34.91 O HETATM 3223 O HOH A1180 36.582 -12.609 22.863 1.00 66.13 O HETATM 3224 O HOH A1181 15.962 28.275 28.267 1.00 49.92 O HETATM 3225 O HOH A1182 16.640 4.303 30.603 1.00 69.80 O HETATM 3226 O HOH A1183 17.778 -7.996 27.459 1.00 71.10 O HETATM 3227 O HOH A1184 30.485 -13.871 30.037 1.00 51.71 O HETATM 3228 O HOH A1185 45.252 -6.140 24.235 1.00 62.43 O HETATM 3229 O HOH A1186 19.953 9.355 10.251 1.00 31.53 O HETATM 3230 O HOH A1187 25.580 -18.762 13.161 1.00 72.26 O HETATM 3231 O HOH A1188 33.252 -12.323 7.352 1.00 56.41 O HETATM 3232 O HOH A1189 15.659 27.382 30.649 1.00 60.21 O HETATM 3233 O HOH A1190 26.953 18.978 30.203 1.00 34.12 O HETATM 3234 O HOH A1191 31.585 18.144 31.345 1.00 43.90 O HETATM 3235 O HOH A1192 28.977 -10.277 13.782 1.00 55.30 O HETATM 3236 O HOH A1193 34.520 23.080 26.233 1.00 58.76 O HETATM 3237 O HOH A1194 25.347 15.782 20.938 1.00 20.59 O HETATM 3238 O HOH A1195 26.554 5.226 30.598 1.00 51.87 O HETATM 3239 O HOH A1196 22.424 18.122 23.539 1.00 33.14 O HETATM 3240 O HOH A1197 25.865 2.831 30.278 1.00 52.02 O HETATM 3241 O HOH A1198 31.297 17.019 12.536 1.00 31.48 O HETATM 3242 O HOH A1199 35.615 18.065 15.409 1.00 61.89 O HETATM 3243 O HOH A1200 29.641 -0.328 -8.096 1.00 70.70 O HETATM 3244 O HOH A1201 42.969 1.482 27.681 1.00 53.99 O HETATM 3245 O HOH A1202 28.413 17.678 34.745 1.00 60.15 O HETATM 3246 O HOH A1203 21.055 28.688 23.084 1.00 57.43 O HETATM 3247 O HOH A1204 23.695 18.751 36.042 1.00 65.83 O HETATM 3248 O HOH A1205 33.924 -14.954 12.234 1.00 53.05 O HETATM 3249 O HOH A1206 28.585 20.087 13.005 1.00 33.62 O HETATM 3250 O HOH A1207 25.296 29.769 33.299 1.00 49.61 O HETATM 3251 O HOH A1208 16.317 22.598 35.000 1.00 79.50 O HETATM 3252 O HOH A1209 40.679 4.257 21.621 1.00 29.54 O HETATM 3253 O HOH A1210 39.888 5.093 29.542 1.00 49.63 O HETATM 3254 O HOH A1211 33.640 4.900 2.776 1.00 66.34 O HETATM 3255 O HOH A1212 34.735 2.606 29.606 1.00 60.92 O HETATM 3256 O HOH A1213 20.344 -8.664 22.229 1.00 54.10 O HETATM 3257 O HOH A1214 22.539 20.232 16.738 1.00 64.61 O HETATM 3258 O HOH A1215 24.392 9.410 30.520 1.00 58.96 O HETATM 3259 O HOH A1216 34.784 5.979 30.994 1.00 60.80 O HETATM 3260 O HOH A1217 27.308 -11.149 33.391 1.00 62.07 O HETATM 3261 O HOH A1218 10.634 21.286 30.692 1.00 50.62 O HETATM 3262 O HOH A1219 22.536 22.676 20.685 1.00 47.31 O HETATM 3263 O HOH A1220 18.275 24.801 35.436 1.00 63.13 O HETATM 3264 O HOH A1221 30.681 -3.427 -12.858 1.00 55.80 O HETATM 3265 O HOH A1222 27.567 -15.537 4.331 1.00 78.26 O HETATM 3266 O HOH A1223 44.967 6.649 18.329 1.00 97.24 O HETATM 3267 O HOH A1224 18.462 14.134 34.216 1.00 60.09 O HETATM 3268 O HOH A1225 18.007 -4.044 16.648 1.00 72.49 O HETATM 3269 O HOH A1226 5.875 19.473 30.359 1.00 61.03 O HETATM 3270 O HOH A1227 37.917 -8.219 31.576 1.00 59.07 O HETATM 3271 O HOH A1228 18.081 -0.998 11.623 1.00 75.60 O HETATM 3272 O HOH A1229 40.554 3.147 23.748 1.00 59.86 O HETATM 3273 O HOH A1230 21.570 -13.113 36.069 1.00 61.05 O HETATM 3274 O HOH A1231 35.588 1.162 -4.123 1.00 62.88 O HETATM 3275 O HOH A1232 36.160 8.096 29.303 1.00 75.94 O HETATM 3276 O HOH A1233 18.009 28.406 27.885 1.00110.32 O HETATM 3277 O HOH A1234 31.501 14.042 31.787 1.00 44.09 O HETATM 3278 O HOH A1235 14.689 2.004 12.471 1.00 54.03 O HETATM 3279 O HOH A1236 31.298 11.277 31.815 1.00 43.94 O HETATM 3280 O HOH A1237 21.498 -9.433 5.942 1.00 55.73 O HETATM 3281 O HOH A1238 30.142 10.082 34.329 1.00 53.72 O HETATM 3282 O HOH A1239 23.294 -10.475 11.721 1.00 77.26 O HETATM 3283 O HOH A1240 20.919 31.136 19.669 1.00 64.40 O HETATM 3284 O HOH A1241 13.634 3.494 14.551 1.00 47.07 O HETATM 3285 O HOH A1242 43.768 -8.311 19.288 1.00 69.73 O HETATM 3286 O HOH A1243 28.948 13.453 8.886 1.00 63.49 O HETATM 3287 O HOH A1244 22.659 10.689 3.739 1.00 44.94 O HETATM 3288 O HOH A1245 17.191 -2.633 -7.281 1.00 81.55 O HETATM 3289 O HOH A1246 33.623 9.007 4.393 1.00 57.23 O HETATM 3290 O HOH A1247 27.414 -5.481 31.144 1.00 59.40 O HETATM 3291 O HOH A1248 24.409 -12.348 -4.075 1.00 77.77 O HETATM 3292 O HOH A1249 34.244 9.885 28.278 1.00 39.77 O HETATM 3293 O HOH A1250 22.211 30.670 21.863 1.00 55.27 O HETATM 3294 O HOH A1251 29.947 9.820 29.948 1.00 29.79 O HETATM 3295 O HOH A1252 24.315 -0.300 30.468 1.00 65.80 O HETATM 3296 O HOH A1253 24.292 5.731 32.004 1.00 68.78 O HETATM 3297 O HOH A1254 32.789 -14.691 29.251 1.00 61.68 O HETATM 3298 O HOH A1255 37.097 -0.951 -12.260 1.00 55.86 O HETATM 3299 O HOH A1256 33.794 -14.675 26.495 1.00 54.06 O HETATM 3300 O HOH A1257 34.918 20.490 15.096 1.00 52.83 O HETATM 3301 O HOH A1258 28.768 17.824 31.549 1.00 39.63 O HETATM 3302 O HOH A1259 17.410 -10.745 -0.699 1.00 70.34 O HETATM 3303 O HOH A1260 31.855 -4.564 0.916 1.00 68.95 O HETATM 3304 O HOH A1261 40.488 9.837 6.728 1.00 74.12 O HETATM 3305 O HOH A1262 39.988 10.210 26.039 1.00 56.51 O HETATM 3306 O HOH A1263 32.823 9.324 7.248 1.00 52.58 O HETATM 3307 O HOH A1264 32.605 -19.728 23.095 1.00 75.67 O HETATM 3308 O HOH A1265 33.985 1.447 31.632 1.00 77.33 O HETATM 3309 O HOH A1266 32.264 -17.709 25.731 1.00 71.62 O HETATM 3310 O HOH A1267 31.343 6.780 7.639 1.00 29.80 O HETATM 3311 O HOH A1268 24.450 20.889 10.627 1.00 70.18 O HETATM 3312 O HOH A1269 22.551 -8.724 13.142 1.00 78.12 O HETATM 3313 O HOH A1270 34.448 20.451 20.286 1.00 51.53 O HETATM 3314 O HOH A1271 28.172 8.046 30.868 1.00 39.30 O HETATM 3315 O HOH A1272 37.078 15.538 21.614 1.00 62.10 O HETATM 3316 O HOH A1273 37.725 13.281 28.933 1.00 85.16 O HETATM 3317 O HOH A1274 15.457 0.093 30.394 1.00 84.79 O HETATM 3318 O HOH A1275 33.781 -12.713 18.824 1.00 65.29 O HETATM 3319 O HOH A1276 44.517 5.422 23.654 1.00 50.09 O HETATM 3320 O HOH A1277 35.295 22.299 23.700 1.00 60.61 O HETATM 3321 O HOH A1278 30.564 26.114 26.877 1.00 55.43 O HETATM 3322 O HOH A1279 23.670 -11.839 3.658 1.00 72.60 O HETATM 3323 O HOH A1280 13.997 1.318 18.093 1.00 63.85 O HETATM 3324 O HOH A1281 13.130 6.098 21.928 1.00 78.42 O HETATM 3325 O HOH A1282 23.771 12.138 5.481 1.00 59.61 O HETATM 3326 O HOH A1283 18.181 11.459 4.525 1.00 65.18 O HETATM 3327 O HOH A1284 37.520 13.182 20.200 1.00 58.31 O HETATM 3328 O HOH A1285 23.283 2.386 30.853 1.00 66.29 O HETATM 3329 O HOH A1286 12.972 8.764 30.857 1.00 61.74 O HETATM 3330 O HOH A1287 21.176 -13.175 4.213 1.00 81.29 O HETATM 3331 O HOH A1288 18.734 -6.541 29.931 1.00 73.84 O HETATM 3332 O HOH A1289 22.442 22.967 17.981 1.00 80.29 O HETATM 3333 O HOH A1290 10.618 13.767 31.561 1.00 78.51 O HETATM 3334 O HOH A1291 16.290 10.450 10.368 1.00 47.89 O HETATM 3335 O HOH A1292 23.385 11.155 8.494 1.00 43.23 O HETATM 3336 O HOH A1293 14.616 35.928 31.010 1.00 82.76 O HETATM 3337 O HOH A1294 40.721 -7.705 28.375 1.00 59.70 O HETATM 3338 O HOH A1295 37.119 19.047 23.436 1.00 55.15 O HETATM 3339 O HOH A1296 34.122 23.681 21.533 1.00 58.54 O HETATM 3340 O HOH A1297 33.864 14.905 29.820 1.00 35.20 O HETATM 3341 O HOH A1298 34.927 16.055 13.474 1.00 52.60 O HETATM 3342 O HOH A1299 31.168 15.151 34.571 1.00 65.77 O HETATM 3343 O HOH A1300 22.439 13.123 10.525 1.00 51.03 O HETATM 3344 O HOH A1301 31.973 5.980 29.768 1.00 30.28 O HETATM 3345 O HOH A1302 35.771 -11.892 30.102 1.00 61.58 O HETATM 3346 O HOH A1303 22.104 9.049 8.507 1.00 34.06 O HETATM 3347 O HOH A1304 40.141 6.864 22.207 1.00 47.74 O HETATM 3348 O HOH A1305 16.487 0.534 13.561 1.00 45.69 O HETATM 3349 O HOH A1306 33.586 17.535 33.389 1.00 68.86 O HETATM 3350 O HOH A1307 20.393 -1.936 -7.815 1.00 70.27 O HETATM 3351 O HOH A1308 24.188 11.177 -5.467 1.00 74.17 O HETATM 3352 O HOH A1309 25.129 -5.601 30.198 1.00 51.08 O HETATM 3353 O HOH A1310 34.780 12.375 29.350 1.00 41.12 O HETATM 3354 O HOH A1311 30.020 5.769 31.348 1.00 53.53 O HETATM 3355 O HOH A1312 19.512 -15.097 3.074 1.00 91.19 O HETATM 3356 O HOH A1313 14.604 7.398 33.046 1.00 64.13 O HETATM 3357 O HOH A1314 9.011 11.740 34.151 1.00 75.62 O HETATM 3358 O HOH B1001 11.529 29.164 26.724 1.00 96.66 O HETATM 3359 O HOH B1002 -15.882 5.689 13.035 1.00 72.80 O HETATM 3360 O HOH B1003 -6.293 18.469 2.206 1.00 65.48 O HETATM 3361 O HOH B1004 -13.103 28.930 39.776 1.00 59.47 O HETATM 3362 O HOH B1005 -13.322 14.203 10.834 1.00 43.49 O HETATM 3363 O HOH B1006 -0.131 18.991 35.809 1.00 36.40 O HETATM 3364 O HOH B1007 -14.322 15.687 23.494 1.00 78.23 O HETATM 3365 O HOH B1008 -10.413 31.389 18.202 1.00 38.99 O HETATM 3366 O HOH B1009 3.399 13.373 9.174 1.00 61.82 O HETATM 3367 O HOH B1010 -13.765 20.981 5.263 1.00 75.19 O HETATM 3368 O HOH B1011 14.748 34.006 26.585 1.00 64.53 O HETATM 3369 O HOH B1012 19.373 20.145 17.038 1.00 49.57 O HETATM 3370 O HOH B1013 14.479 37.230 20.878 1.00 63.05 O HETATM 3371 O HOH B1014 3.912 17.992 28.209 1.00 41.24 O HETATM 3372 O HOH B1015 -6.372 34.865 25.059 1.00 41.79 O HETATM 3373 O HOH B1016 -13.238 31.013 38.969 1.00 65.65 O HETATM 3374 O HOH B1017 -12.713 33.501 25.434 1.00 82.78 O HETATM 3375 O HOH B1018 -21.443 13.587 11.770 1.00 55.08 O HETATM 3376 O HOH B1019 1.659 26.619 3.421 1.00 54.66 O HETATM 3377 O HOH B1020 10.654 11.852 13.766 1.00 60.44 O HETATM 3378 O HOH B1021 -19.692 21.755 1.566 1.00 94.52 O HETATM 3379 O HOH B1022 3.522 19.075 25.778 1.00 34.35 O HETATM 3380 O HOH B1023 -7.821 22.472 37.157 1.00 37.39 O HETATM 3381 O HOH B1024 7.427 22.790 27.023 1.00 30.33 O HETATM 3382 O HOH B1025 -0.003 12.054 16.493 1.00 52.85 O HETATM 3383 O HOH B1026 -15.681 25.787 26.808 1.00 51.56 O HETATM 3384 O HOH B1027 -14.446 16.084 19.399 1.00 45.57 O HETATM 3385 O HOH B1028 -10.673 10.939 1.000 1.00 74.34 O HETATM 3386 O HOH B1029 -2.989 17.678 30.090 1.00 73.76 O HETATM 3387 O HOH B1030 3.776 20.265 32.654 1.00 52.93 O HETATM 3388 O HOH B1031 10.388 31.694 28.230 1.00 35.43 O HETATM 3389 O HOH B1032 -9.122 6.420 15.071 1.00 85.52 O HETATM 3390 O HOH B1033 8.283 15.032 5.129 1.00 67.27 O HETATM 3391 O HOH B1034 -16.051 32.017 9.332 1.00 67.73 O HETATM 3392 O HOH B1035 -8.218 40.637 38.596 1.00 74.14 O HETATM 3393 O HOH B1036 16.685 26.365 10.414 1.00 69.05 O HETATM 3394 O HOH B1037 -11.927 22.161 22.778 1.00 36.82 O HETATM 3395 O HOH B1038 -0.467 33.960 17.761 1.00 52.11 O HETATM 3396 O HOH B1039 3.578 13.773 12.054 1.00 46.91 O HETATM 3397 O HOH B1040 4.123 27.211 31.718 1.00 32.31 O HETATM 3398 O HOH B1041 8.014 19.719 5.469 1.00 68.23 O HETATM 3399 O HOH B1042 1.784 9.472 21.900 1.00 55.48 O HETATM 3400 O HOH B1043 -15.082 17.765 22.307 1.00 83.49 O HETATM 3401 O HOH B1044 14.034 29.690 26.602 1.00 43.57 O HETATM 3402 O HOH B1045 -9.945 7.832 21.610 1.00 44.88 O HETATM 3403 O HOH B1046 10.224 21.888 4.722 1.00 55.37 O HETATM 3404 O HOH B1047 2.694 29.226 6.393 1.00 41.00 O HETATM 3405 O HOH B1048 -13.907 31.104 15.392 1.00 51.87 O HETATM 3406 O HOH B1049 7.267 23.733 29.516 1.00 57.03 O HETATM 3407 O HOH B1050 10.014 23.163 25.889 1.00 31.18 O HETATM 3408 O HOH B1051 -16.925 16.139 15.708 1.00 45.96 O HETATM 3409 O HOH B1052 15.432 29.805 19.578 1.00 68.08 O HETATM 3410 O HOH B1053 0.833 11.615 27.607 1.00 46.76 O HETATM 3411 O HOH B1054 -4.194 10.662 23.258 1.00 42.57 O HETATM 3412 O HOH B1055 1.703 40.787 32.377 1.00 76.98 O HETATM 3413 O HOH B1056 -0.106 10.167 20.690 1.00 44.97 O HETATM 3414 O HOH B1057 -14.695 4.201 9.857 1.00 78.17 O HETATM 3415 O HOH B1058 0.556 13.120 9.661 1.00 38.53 O HETATM 3416 O HOH B1059 -9.820 1.883 9.041 1.00 77.28 O HETATM 3417 O HOH B1060 -23.195 15.056 6.977 1.00 63.09 O HETATM 3418 O HOH B1061 -11.742 30.964 11.450 1.00 46.60 O HETATM 3419 O HOH B1062 11.062 18.176 22.121 1.00 33.73 O HETATM 3420 O HOH B1063 6.391 24.434 3.714 1.00 69.32 O HETATM 3421 O HOH B1064 -2.453 19.910 28.545 1.00 28.47 O HETATM 3422 O HOH B1065 -11.539 33.325 29.466 1.00 66.70 O HETATM 3423 O HOH B1066 -13.550 30.392 23.363 1.00 55.69 O HETATM 3424 O HOH B1067 -1.607 11.816 27.011 1.00 62.11 O HETATM 3425 O HOH B1068 -21.926 14.794 3.237 1.00 75.59 O HETATM 3426 O HOH B1069 15.683 12.563 12.170 1.00 42.67 O HETATM 3427 O HOH B1070 11.132 18.374 25.015 1.00 40.02 O HETATM 3428 O HOH B1071 -12.387 27.093 23.811 1.00 48.03 O HETATM 3429 O HOH B1072 8.283 28.182 2.562 1.00 56.39 O HETATM 3430 O HOH B1073 15.253 24.477 9.276 1.00 51.67 O HETATM 3431 O HOH B1074 -7.909 33.796 32.074 1.00 40.68 O HETATM 3432 O HOH B1075 -6.214 9.772 6.286 1.00 47.95 O HETATM 3433 O HOH B1076 -9.761 33.142 11.834 1.00 66.30 O HETATM 3434 O HOH B1077 -4.563 7.329 14.109 1.00 78.98 O HETATM 3435 O HOH B1078 13.329 31.419 7.132 1.00 68.29 O HETATM 3436 O HOH B1079 3.266 24.816 32.755 1.00 40.06 O HETATM 3437 O HOH B1080 -1.029 37.581 38.917 1.00 66.53 O HETATM 3438 O HOH B1081 -11.321 13.880 -2.494 1.00 59.44 O HETATM 3439 O HOH B1082 -12.792 14.929 16.085 1.00 30.99 O HETATM 3440 O HOH B1083 10.476 38.302 30.698 1.00 63.07 O HETATM 3441 O HOH B1084 -10.728 14.899 11.530 1.00 38.64 O HETATM 3442 O HOH B1085 13.592 38.622 26.918 1.00 58.60 O HETATM 3443 O HOH B1086 -15.752 29.885 18.000 1.00 54.00 O HETATM 3444 O HOH B1087 0.035 36.155 7.981 1.00 70.67 O HETATM 3445 O HOH B1088 -13.435 6.225 20.284 1.00 85.99 O HETATM 3446 O HOH B1089 -14.082 30.774 20.533 1.00 43.23 O HETATM 3447 O HOH B1090 -10.216 35.605 30.951 1.00 55.56 O HETATM 3448 O HOH B1091 9.113 9.661 22.443 1.00 40.31 O HETATM 3449 O HOH B1092 11.553 13.294 19.451 1.00 43.76 O HETATM 3450 O HOH B1093 -7.836 31.111 19.263 1.00 34.43 O HETATM 3451 O HOH B1094 -1.003 16.533 6.675 1.00 33.62 O HETATM 3452 O HOH B1095 1.063 18.411 25.066 1.00 28.58 O HETATM 3453 O HOH B1096 8.826 33.639 31.001 1.00 74.68 O HETATM 3454 O HOH B1097 11.027 15.597 20.560 1.00 53.10 O HETATM 3455 O HOH B1098 -10.702 15.206 14.358 1.00 30.53 O HETATM 3456 O HOH B1099 -0.268 29.268 6.802 1.00 51.19 O HETATM 3457 O HOH B1100 -9.380 12.345 11.492 1.00 29.81 O HETATM 3458 O HOH B1101 4.374 39.500 38.970 1.00 81.63 O HETATM 3459 O HOH B1102 2.833 37.779 41.226 1.00 69.25 O HETATM 3460 O HOH B1103 -5.933 22.305 26.131 1.00 30.61 O HETATM 3461 O HOH B1104 -4.734 14.221 25.305 1.00 32.71 O HETATM 3462 O HOH B1105 -3.728 10.248 5.392 1.00 57.37 O HETATM 3463 O HOH B1106 7.693 16.592 20.271 1.00 30.99 O HETATM 3464 O HOH B1107 6.979 32.779 37.502 1.00 58.91 O HETATM 3465 O HOH B1108 -5.896 30.554 40.926 1.00 43.98 O HETATM 3466 O HOH B1109 -10.894 24.007 24.785 1.00 34.70 O HETATM 3467 O HOH B1110 -8.000 36.984 30.338 1.00 57.67 O HETATM 3468 O HOH B1111 2.291 11.301 13.890 1.00 57.63 O HETATM 3469 O HOH B1112 2.963 36.309 21.924 1.00 64.36 O HETATM 3470 O HOH B1113 16.973 22.427 13.855 1.00 48.22 O HETATM 3471 O HOH B1114 -6.451 32.800 17.732 1.00 34.56 O HETATM 3472 O HOH B1115 -26.991 17.881 6.981 1.00 43.91 O HETATM 3473 O HOH B1116 8.758 28.664 41.229 1.00 76.76 O HETATM 3474 O HOH B1117 -14.704 15.839 12.193 1.00 35.33 O HETATM 3475 O HOH B1118 -20.417 9.386 11.862 1.00 63.15 O HETATM 3476 O HOH B1119 -10.791 31.110 24.713 1.00 36.89 O HETATM 3477 O HOH B1120 15.271 24.210 16.226 1.00 63.48 O HETATM 3478 O HOH B1121 -7.553 18.089 26.035 1.00 43.53 O HETATM 3479 O HOH B1122 -5.519 20.532 5.711 1.00 54.49 O HETATM 3480 O HOH B1123 2.299 20.199 6.105 1.00 40.60 O HETATM 3481 O HOH B1124 7.124 14.840 9.207 1.00 54.61 O HETATM 3482 O HOH B1125 -9.402 12.125 23.420 1.00 38.55 O HETATM 3483 O HOH B1126 -9.719 23.042 5.723 1.00 57.37 O HETATM 3484 O HOH B1127 -5.748 35.242 19.314 1.00 69.05 O HETATM 3485 O HOH B1128 21.098 17.230 12.833 1.00 47.22 O HETATM 3486 O HOH B1129 17.768 40.098 26.275 1.00 43.43 O HETATM 3487 O HOH B1130 -14.782 10.444 20.945 1.00 52.65 O HETATM 3488 O HOH B1131 -6.676 27.859 6.190 1.00 69.74 O HETATM 3489 O HOH B1132 -8.922 4.162 10.274 1.00 84.93 O HETATM 3490 O HOH B1133 17.431 36.174 21.015 1.00 61.29 O HETATM 3491 O HOH B1134 7.101 16.932 26.632 1.00 67.69 O HETATM 3492 O HOH B1135 6.763 37.483 30.274 1.00 52.19 O HETATM 3493 O HOH B1136 -10.334 33.747 27.319 1.00 59.30 O HETATM 3494 O HOH B1137 -10.540 20.484 42.773 1.00 51.01 O HETATM 3495 O HOH B1138 5.283 37.307 13.823 1.00 58.70 O HETATM 3496 O HOH B1139 -4.518 30.800 6.245 1.00 57.98 O HETATM 3497 O HOH B1140 -1.133 34.902 21.249 1.00 64.99 O HETATM 3498 O HOH B1141 -11.046 10.275 22.042 1.00 40.23 O HETATM 3499 O HOH B1142 11.093 15.691 5.478 1.00 74.59 O HETATM 3500 O HOH B1143 1.369 28.256 47.290 1.00 58.68 O HETATM 3501 O HOH B1144 -11.327 21.233 6.531 1.00 58.65 O HETATM 3502 O HOH B1145 2.273 36.101 24.300 1.00 47.22 O HETATM 3503 O HOH B1146 -8.444 8.703 4.044 1.00 62.09 O HETATM 3504 O HOH B1147 -24.842 20.233 8.995 1.00 37.06 O HETATM 3505 O HOH B1148 -16.321 24.333 23.068 1.00 38.87 O HETATM 3506 O HOH B1149 -16.825 24.458 35.412 1.00 60.16 O HETATM 3507 O HOH B1150 -3.358 22.194 4.522 1.00 63.31 O HETATM 3508 O HOH B1151 -8.015 20.323 33.931 1.00 38.93 O HETATM 3509 O HOH B1152 1.678 18.412 29.404 1.00 40.42 O HETATM 3510 O HOH B1153 8.503 14.681 13.525 1.00 28.61 O HETATM 3511 O HOH B1154 12.876 30.246 19.163 1.00 49.59 O HETATM 3512 O HOH B1155 -17.950 30.237 32.994 1.00 62.01 O HETATM 3513 O HOH B1156 -8.617 43.077 40.825 0.50166.79 O HETATM 3514 O HOH B1157 -4.449 36.787 24.535 1.00 49.99 O HETATM 3515 O HOH B1158 7.939 39.167 28.874 1.00 84.47 O HETATM 3516 O HOH B1159 6.265 30.538 3.367 1.00 56.43 O HETATM 3517 O HOH B1160 10.503 28.340 31.135 1.00 74.36 O HETATM 3518 O HOH B1161 -6.822 10.705 22.622 1.00 30.29 O HETATM 3519 O HOH B1162 1.137 19.106 38.794 1.00 70.57 O HETATM 3520 O HOH B1163 12.293 15.626 7.945 1.00 94.21 O HETATM 3521 O HOH B1164 0.153 9.359 15.407 1.00 47.85 O HETATM 3522 O HOH B1165 -11.700 16.447 25.029 1.00 50.92 O HETATM 3523 O HOH B1166 -2.124 5.541 9.692 1.00 80.39 O HETATM 3524 O HOH B1167 -16.930 15.099 13.383 1.00 38.45 O HETATM 3525 O HOH B1168 0.777 35.869 1.246 1.00 89.89 O HETATM 3526 O HOH B1169 11.453 39.872 28.696 1.00 54.27 O HETATM 3527 O HOH B1170 0.691 36.588 41.842 1.00 62.23 O HETATM 3528 O HOH B1171 12.226 43.519 23.014 1.00 69.98 O HETATM 3529 O HOH B1172 7.651 34.986 32.902 1.00 69.12 O HETATM 3530 O HOH B1173 14.071 25.692 3.370 1.00 61.54 O HETATM 3531 O HOH B1174 6.763 28.494 34.642 1.00 44.63 O HETATM 3532 O HOH B1175 10.175 29.228 28.958 1.00 39.57 O HETATM 3533 O HOH B1176 -6.402 37.822 28.224 1.00 60.85 O HETATM 3534 O HOH B1177 -24.484 16.801 2.483 1.00 86.39 O HETATM 3535 O HOH B1178 19.465 18.446 10.577 1.00 68.68 O HETATM 3536 O HOH B1179 -0.113 35.853 11.278 1.00 52.46 O HETATM 3537 O HOH B1180 -28.012 25.838 5.108 1.00 58.96 O HETATM 3538 O HOH B1181 -2.212 24.815 4.441 1.00 54.27 O HETATM 3539 O HOH B1182 0.655 40.105 30.110 1.00 75.15 O HETATM 3540 O HOH B1183 -25.636 20.324 3.851 1.00 45.43 O HETATM 3541 O HOH B1184 -21.031 12.984 5.764 1.00 56.27 O HETATM 3542 O HOH B1185 1.508 35.171 19.947 1.00 72.50 O HETATM 3543 O HOH B1186 1.633 37.620 28.940 1.00 43.40 O HETATM 3544 O HOH B1187 9.147 15.482 11.583 1.00 61.01 O HETATM 3545 O HOH B1188 4.745 38.561 31.771 1.00 73.19 O HETATM 3546 O HOH B1189 -17.216 12.844 15.477 1.00 69.27 O HETATM 3547 O HOH B1190 -20.110 28.948 31.500 1.00 67.00 O HETATM 3548 O HOH B1191 -11.342 7.358 13.890 1.00 62.61 O HETATM 3549 O HOH B1192 2.368 16.812 4.190 1.00 63.14 O HETATM 3550 O HOH B1193 9.408 13.628 29.352 1.00 61.38 O HETATM 3551 O HOH B1194 10.727 29.257 0.953 1.00 68.91 O HETATM 3552 O HOH B1195 3.292 10.790 16.878 1.00 52.37 O HETATM 3553 O HOH B1196 7.714 21.851 3.241 1.00 74.02 O HETATM 3554 O HOH B1197 -5.042 26.181 4.469 1.00 71.85 O HETATM 3555 O HOH B1198 8.761 30.830 36.515 1.00 78.64 O HETATM 3556 O HOH B1199 -4.558 6.344 17.860 1.00 67.66 O HETATM 3557 O HOH B1200 -8.341 40.166 35.827 1.00 65.90 O HETATM 3558 O HOH B1201 -7.827 20.079 4.106 1.00 70.98 O HETATM 3559 O HOH B1202 -1.577 36.349 14.478 1.00 80.65 O HETATM 3560 O HOH B1203 -13.541 10.686 23.600 1.00 71.43 O HETATM 3561 O HOH B1204 8.991 9.275 18.531 1.00 88.14 O HETATM 3562 O HOH B1205 -12.283 31.222 8.311 1.00 67.62 O HETATM 3563 O HOH B1206 9.015 30.088 32.732 1.00 69.15 O HETATM 3564 O HOH B1207 -10.262 32.836 22.899 1.00 50.57 O HETATM 3565 O HOH B1208 -0.450 6.987 7.677 1.00 61.64 O HETATM 3566 O HOH B1209 -15.653 13.881 18.610 1.00 56.03 O HETATM 3567 O HOH B1210 -3.370 16.711 5.368 1.00 41.98 O HETATM 3568 O HOH B1211 -3.653 13.931 3.846 1.00 56.02 O HETATM 3569 O HOH B1212 -9.319 20.681 31.384 1.00 37.79 O HETATM 3570 O HOH B1213 -11.821 32.291 20.189 1.00 49.57 O HETATM 3571 O HOH B1214 1.139 37.818 26.432 1.00 72.85 O HETATM 3572 O HOH B1215 -4.354 38.949 29.801 1.00 60.77 O HETATM 3573 O HOH B1216 -3.082 14.600 27.323 1.00 56.63 O HETATM 3574 O HOH B1217 -4.296 9.140 25.292 1.00 52.02 O HETATM 3575 O HOH B1218 -17.273 28.916 26.022 1.00 58.48 O HETATM 3576 O HOH B1219 0.965 31.841 46.408 1.00 54.72 O HETATM 3577 O HOH B1220 -5.474 14.637 31.335 1.00 71.21 O HETATM 3578 O HOH B1221 15.053 36.537 27.949 1.00 62.02 O HETATM 3579 O HOH B1222 17.986 31.480 19.528 1.00 89.94 O HETATM 3580 O HOH B1223 -14.128 30.589 13.089 1.00 59.44 O HETATM 3581 O HOH B1224 -2.011 36.771 22.920 1.00 56.01 O HETATM 3582 O HOH B1225 -1.955 8.995 27.444 1.00 72.69 O HETATM 3583 O HOH B1226 6.487 39.330 34.004 1.00 71.79 O HETATM 3584 O HOH B1227 -20.010 12.500 -2.094 1.00 68.49 O HETATM 3585 O HOH B1228 -0.375 13.712 6.859 1.00 53.05 O HETATM 3586 O HOH B1229 -3.505 19.230 4.348 1.00 54.61 O HETATM 3587 O HOH B1230 -22.547 11.290 1.047 1.00 66.56 O HETATM 3588 O HOH B1231 13.046 32.180 27.682 1.00 53.79 O HETATM 3589 O HOH B1232 -14.180 33.814 23.731 1.00 65.26 O HETATM 3590 O HOH B1233 -0.939 16.008 27.870 1.00 44.53 O HETATM 3591 O HOH B1234 3.296 30.572 3.896 1.00 69.92 O HETATM 3592 O HOH B1235 -0.248 18.432 27.446 1.00 26.16 O HETATM 3593 O HOH B1236 -4.780 16.247 29.092 1.00 58.46 O HETATM 3594 O HOH B1237 -1.629 39.921 40.925 1.00 62.85 O HETATM 3595 O HOH B1238 -16.883 31.379 15.947 1.00 70.94 O HETATM 3596 O HOH B1239 -8.993 20.383 26.617 1.00 54.85 O HETATM 3597 O HOH B1240 -20.648 6.110 17.666 1.00 86.39 O HETATM 3598 O HOH B1241 -9.949 20.921 35.734 1.00 41.65 O HETATM 3599 O HOH B1242 -4.460 28.812 4.773 1.00 64.69 O HETATM 3600 O HOH B1243 16.288 26.961 20.066 1.00 60.58 O HETATM 3601 O HOH B1244 -5.788 33.135 23.590 1.00 49.39 O HETATM 3602 O HOH B1245 -1.908 40.728 30.453 1.00 74.68 O HETATM 3603 O HOH B1246 -2.843 9.026 21.658 1.00 53.37 O HETATM 3604 O HOH B1247 6.135 13.059 12.987 1.00 65.12 O HETATM 3605 O HOH B1248 -7.833 8.320 22.840 1.00 55.74 O HETATM 3606 O HOH B1249 4.106 10.522 8.744 1.00 83.86 O HETATM 3607 O HOH B1250 -10.538 21.715 3.977 1.00 89.24 O HETATM 3608 O HOH B1251 -8.879 22.924 26.680 1.00 29.84 O HETATM 3609 O HOH B1252 7.743 35.231 38.586 1.00 90.98 O HETATM 3610 O HOH B1253 -10.000 34.061 16.918 1.00 56.03 O HETATM 3611 O HOH B1254 -7.732 32.990 21.506 1.00 40.85 O HETATM 3612 O HOH B1255 -1.398 20.556 3.586 1.00 55.34 O HETATM 3613 O HOH B1256 -11.550 19.502 24.452 1.00 46.83 O HETATM 3614 O HOH B1257 0.615 18.412 5.392 1.00 46.23 O HETATM 3615 O HOH B1258 14.614 45.203 21.278 1.00 60.29 O HETATM 3616 O HOH B1259 -4.711 7.517 20.222 1.00 72.23 O HETATM 3617 O HOH B1260 9.661 36.223 36.507 1.00 79.30 O HETATM 3618 O HOH B1261 -10.827 35.046 13.855 1.00 74.75 O HETATM 3619 O HOH B1262 19.516 12.661 7.327 1.00 60.03 O HETATM 3620 O HOH B1263 -12.595 35.557 20.325 1.00 72.08 O HETATM 3621 O HOH B1264 -12.788 21.232 27.964 1.00 63.72 O HETATM 3622 O HOH B1265 -7.617 7.401 25.536 1.00 69.65 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 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