USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZ3 TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 99) 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 5PZ3 0 JRNL AUTH N.M.PEARCE,T.KROJER,A.R.BRADLEY,P.COLLINS,R.NOWAK,R.TALON, JRNL AUTH 2 B.MARSDEN,S.KELM,J.SHI,D.DEANE,F.VON DELFT JRNL TITL A MULTI-CRYSTAL METHOD FOR EXTRACTING OBSCURED JRNL TITL 2 CRYSTALLOGRAPHIC STATES FROM CONVENTIONALLY UNINTERPRETABLE JRNL TITL 3 ELECTRON DENSITY JRNL REF NAT COMMUN 2017 JRNL REFN ESSN 2041-1723 REMARK 2 REMARK 2 RESOLUTION. 1.93 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.93 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.83 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.4 REMARK 3 NUMBER OF REFLECTIONS : 32322 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) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.177 REMARK 3 FREE R VALUE : 0.226 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1676 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.93 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.98 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2383 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.79 REMARK 3 BIN R VALUE (WORKING SET) : 0.2850 REMARK 3 BIN FREE R VALUE SET COUNT : 118 REMARK 3 BIN FREE R VALUE : 0.3090 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2925 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 579 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.55 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.03000 REMARK 3 B22 (A**2) : 0.13000 REMARK 3 B33 (A**2) : 1.24000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -1.06000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.159 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.151 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.120 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.448 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.019 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.749 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.077 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.344 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.789 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.452 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;17.218 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.121 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.656 ; 3.128 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.656 ; 3.123 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.809 ; 4.657 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 5PZ3 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_1001401293. 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 : 33999 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.930 REMARK 200 RESOLUTION RANGE LOW (A) : 40.830 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.7 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.10600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 9.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.93 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.98 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.69900 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 (%): 55.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 6.1 -- 20% PEG20K, PH 7, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.87000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.72500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.87000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.72500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 B1035 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 O2 EDO B 903 O HOH B 1001 1.84 REMARK 500 NH2 ARG A 803 O HOH A 1001 1.89 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.95 REMARK 500 O HOH A 1165 O HOH A 1245 1.97 REMARK 500 O HOH A 1198 O HOH A 1263 2.08 REMARK 500 O HOH A 1171 O HOH A 1260 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH B 1236 O HOH B 1236 2555 1.02 REMARK 500 O HOH A 1066 O HOH A 1252 1565 1.61 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 803 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG B 753 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 736 -132.19 -107.15 REMARK 500 LYS A 737 98.86 71.69 REMARK 500 ASN A 802 87.41 -151.61 REMARK 500 ARG A 849 -109.99 51.82 REMARK 500 ASN B 738 100.00 -173.69 REMARK 500 CYS B 754 88.49 -150.37 REMARK 500 PRO B 755 93.67 -59.56 REMARK 500 SER B 757 -167.75 -55.38 REMARK 500 GLN B 758 40.62 -65.44 REMARK 500 TYR B 801 -102.31 -119.81 REMARK 500 GLU B 804 -82.16 -136.01 REMARK 500 ARG B 849 -111.47 52.99 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 756 149.66 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 = 5.93 ANGSTROMS REMARK 525 HOH A1314 DISTANCE = 6.30 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.23 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.98 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 110.4 REMARK 620 3 HIS A 725 ND1 94.5 99.9 REMARK 620 4 CYS A 728 SG 113.1 120.5 114.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 717 SG REMARK 620 2 CYS A 720 SG 109.7 REMARK 620 3 CYS A 742 SG 110.6 105.0 REMARK 620 4 CYS A 745 SG 105.0 105.5 120.8 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 112.3 REMARK 620 3 HIS B 725 ND1 100.5 93.4 REMARK 620 4 CYS B 728 SG 115.9 119.6 110.9 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 109.4 REMARK 620 3 CYS B 742 SG 113.8 105.3 REMARK 620 4 CYS B 745 SG 107.5 105.2 115.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 903 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 904 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 905 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 903 DBREF 5PZ3 A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZ3 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 ASP B 851 PHE B 853 5 3 HELIX 17 AB8 THR B 854 ALA B 873 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.25 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.35 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.27 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.29 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.22 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.47 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.34 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.23 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.37 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.16 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.32 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.24 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.32 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.32 CISPEP 1 ILE A 730 PRO A 731 0 -8.19 CISPEP 2 ASN A 738 PRO A 739 0 -5.40 CISPEP 3 ILE B 730 PRO B 731 0 -16.68 CISPEP 4 ASN B 738 PRO B 739 0 14.01 CISPEP 5 ARG B 803 GLU B 804 0 -9.30 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 ARG A 753 GLU A 756 SITE *** AC4 15 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 15 HOH A1039 HOH A1066 HOH A1137 HOH A1141 SITE *** AC4 15 HOH A1190 HOH A1217 HOH A1245 ARG B 753 SITE *** AC4 15 PRO B 773 GLU B 774 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1029 SITE *** AC5 6 HOH A1035 HOH A1251 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 5 MES A 904 ARG B 746 PRO B 773 HOH B1001 SITE *** AC8 5 HOH B1014 CRYST1 127.740 45.450 83.500 90.00 102.05 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 0.007828 0.000000 0.001671 0.00000 SCALE2 0.000000 0.022002 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012246 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= -0.194 X(o=-0.19,f=-0.47) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.19,f=-0.33) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 169:sc= 0.231 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.194 K(o=0.43,f=-1.2) USER MOD Set 3.1: B 821 SER OG : rot 76:sc= 0.28 USER MOD Set 3.2: B 826 MET CE B:methyl 161:sc= -0.0762 (180deg=-0.175) USER MOD Set 4.1: B 813 MET CE :methyl 149:sc= -0.309 (180deg=-0.745) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -116:sc= 0.054 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -14:sc= 1.23 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.94 K(o=3.2,f=2.2) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -171:sc= 0.309 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.13 K(o=1.4,f=-0.68) USER MOD Set 7.1: B 771 MET CE :methyl 174:sc= 0 (180deg=-0.0432) USER MOD Set 7.2: B 779 CYS SG : rot 140:sc= 0.395 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.451 K(o=0.96,f=-0.85) USER MOD Set 8.2: B 732 SER OG : rot -122:sc= 0.508 USER MOD Set 9.1: B 716 CYS SG A: rot 69:sc= -0.701! USER MOD Set 9.2: B 723 SER OG : rot 140:sc= 1.35 USER MOD Set10.1: B 719 THR OG1 : rot 86:sc= 1.87 USER MOD Set10.2: B 741 SER OG : rot -69:sc= 1.34 USER MOD Set11.1: A 791 LYS NZ :NH3+ -172:sc= 1.31 (180deg=0.575) USER MOD Set11.2: A 859 GLN : amide:sc= 0.614 K(o=1.9,f=-0.52) USER MOD Set12.1: A 787 TYR OH : rot -29:sc= 1.26 USER MOD Set12.2: A 816 ASN : amide:sc= 1.98 K(o=3.2,f=1.8) USER MOD Set13.1: A 771 MET CE :methyl 164:sc= 0 (180deg=-0.274) USER MOD Set13.2: A 779 CYS SG : rot -96:sc= 0.572 USER MOD Set14.1: A 736 ASN : amide:sc= 0 K(o=-0.57,f=-2.3) USER MOD Set14.2: A 738 ASN : amide:sc= -0.571 K(o=-0.57,f=-2.4!) USER MOD Set15.1: A 727 HIS : no HD1:sc= 0.403 K(o=1.1,f=-1.1) USER MOD Set15.2: A 732 SER OG : rot -126:sc= 0.703 USER MOD Set16.1: A 719 THR OG1 : rot 79:sc= 2.71 USER MOD Set16.2: A 741 SER OG : rot -76:sc= 1.27 USER MOD Set17.1: A 716 CYS SG : rot -47:sc= 0.243 USER MOD Set17.2: A 723 SER OG : rot 142:sc= 0.701 USER MOD Single : A 701 ASN : amide:sc= -0.853 X(o=-0.85,f=-0.52) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc=-0.000379 X(o=-0.00038,f=-0.49) USER MOD Single : A 709 ASN : amide:sc= 0.475 X(o=0.47,f=0.035) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.85 K(o=1.9,f=-8.9!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 THR OG1 : rot 79:sc= 0.0368 USER MOD Single : A 751 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 754 CYS SG A: rot 7:sc= 0.229 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.574 USER MOD Single : A 757 SER OG : rot -82:sc= 2.11 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 173:sc= 0.975 USER MOD Single : A 761 HIS : no HE2:sc= -0.519 K(o=-0.52,f=-2.3!) USER MOD Single : A 762 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.041) USER MOD Single : A 764 SER OG : rot -80:sc= 0.278 USER MOD Single : A 768 MET CE :methyl 175:sc= 0 (180deg=-0.0294) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 776 GLN : amide:sc= 2.65 K(o=2.6,f=-0.84) USER MOD Single : A 778 LYS NZ A:NH3+ -103:sc= -0.327 (180deg=-1.05) USER MOD Single : A 778 LYS NZ B:NH3+ 168:sc= 0.697 (180deg=0.612) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 64:sc= -0.026 USER MOD Single : A 790 SER OG : rot -98:sc= 0.00858 USER MOD Single : A 792 SER OG : rot -84:sc= 1.76 USER MOD Single : A 793 CYS SG : rot -84:sc= -0.0186 USER MOD Single : A 797 SER OG : rot 102:sc= 0.356 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 30:sc= 2.38 USER MOD Single : A 802 ASN : amide:sc= -0.0795 K(o=-0.08,f=-2.1!) USER MOD Single : A 806 SER OG : rot -154:sc= 1.13 USER MOD Single : A 807 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.53) USER MOD Single : A 810 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.046) USER MOD Single : A 811 LYS NZ :NH3+ -161:sc= 0.322 (180deg=0.29) USER MOD Single : A 813 MET CE :methyl 168:sc= 0 (180deg=-0.271) USER MOD Single : A 817 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.182) USER MOD Single : A 819 LYS NZ :NH3+ 172:sc= 1.07 (180deg=1.02) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 SER OG : rot 77:sc= 1.24 USER MOD Single : A 823 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 825 GLN : amide:sc= 0.776 X(o=0.78,f=0.59) USER MOD Single : A 826 MET CE A:methyl -150:sc= -0.193 (180deg=-0.575) USER MOD Single : A 826 MET CE B:methyl 142:sc= -2.69! (180deg=-3.57!) USER MOD Single : A 827 TYR OH : rot -21:sc= 1.4 USER MOD Single : A 828 THR OG1 : rot 129:sc= 1.74 USER MOD Single : A 835 GLN : amide:sc= 1.04 K(o=1,f=-0.29) USER MOD Single : A 837 MET CE :methyl -171:sc= 0 (180deg=-0.0456) USER MOD Single : A 842 HIS : no HE2:sc= 1.61 K(o=1.6,f=-5.2!) USER MOD Single : A 843 ASN : amide:sc= 3 K(o=3,f=0.54) USER MOD Single : A 844 HIS : no HD1:sc= 1.6 K(o=1.6,f=-3.4!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.936 USER MOD Single : A 852 LYS NZ :NH3+ -149:sc= 0.675 (180deg=0.223) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -79:sc= 0.199 USER MOD Single : A 861 GLN : amide:sc= 0.0856 X(o=0.086,f=-0.38) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 1.96 K(o=2,f=0.9) USER MOD Single : A 870 ASN : amide:sc= 1.05 K(o=1,f=-0.031) USER MOD Single : A 875 GLN : amide:sc= 0.312 X(o=0.31,f=-0.095) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 905 EDO O1 : rot -93:sc= 1.28 USER MOD Single : A 905 EDO O2 : rot 71:sc= 1.36 USER MOD Single : B 701 ASN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0278 USER MOD Single : B 703 ASN : amide:sc= 0.351 K(o=0.35,f=-3.6!) USER MOD Single : B 709 ASN : amide:sc= 0.0816 X(o=0.082,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 14:sc= 0.238 USER MOD Single : B 729 HIS : no HE2:sc= 1.53 K(o=1.5,f=-7.7!) USER MOD Single : B 736 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.03) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 84:sc= 0.16 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.051 K(o=0.051,f=-0.61) 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 -174:sc= -0.161 (180deg=-0.199) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 776 GLN : amide:sc= 2.38 K(o=2.4,f=-0.69) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 67:sc= 0.0247 USER MOD Single : B 790 SER OG : rot -80:sc= 0 USER MOD Single : B 792 SER OG : rot -83:sc= 1.66 USER MOD Single : B 793 CYS SG : rot -78:sc=-0.00853 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.0124 USER MOD Single : B 801 TYR OH : rot -27:sc= 2.57 USER MOD Single : B 802 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -133:sc= 0.103 (180deg=0.0623) USER MOD Single : B 819 LYS NZ :NH3+ -165:sc= 0.587 (180deg=0.405) USER MOD Single : B 820 THR OG1 : rot 153:sc= 1.35 USER MOD Single : B 823 ASN : amide:sc= 2.2 X(o=2.2,f=1.8) USER MOD Single : B 825 GLN : amide:sc= 1.66 K(o=1.7,f=-2!) USER MOD Single : B 826 MET CE A:methyl -167:sc= -0.0252 (180deg=-0.202) USER MOD Single : B 827 TYR OH : rot -5:sc= 1.41 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : B 835 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 837 MET CE :methyl 180:sc= -0.0518 (180deg=-0.0518) USER MOD Single : B 842 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.066) USER MOD Single : B 843 ASN : amide:sc= 1.42 K(o=1.4,f=0.12) USER MOD Single : B 844 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4.5!) USER MOD Single : B 845 LYS NZ :NH3+ -97:sc= 0.00506 (180deg=-0.115) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.84 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 -83:sc= 1.28 USER MOD Single : B 861 GLN : amide:sc= 0.0914 X(o=0.091,f=-0.35) USER MOD Single : B 866 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.927) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 84:sc= 1.81 USER MOD Single : B 903 EDO O2 : rot -26:sc= 0.0037 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.460 -4.931 -4.063 1.00 56.96 N ATOM 2 CA ASN A 701 15.061 -3.982 -3.062 1.00 60.06 C ATOM 3 C ASN A 701 14.083 -2.928 -2.569 1.00 59.40 C ATOM 4 O ASN A 701 13.251 -2.422 -3.339 1.00 50.11 O ATOM 5 CB ASN A 701 16.294 -3.254 -3.620 1.00 63.46 C ATOM 6 CG ASN A 701 17.504 -4.150 -3.710 1.00 72.55 C ATOM 7 OD1 ASN A 701 17.696 -4.812 -4.719 1.00 81.67 O ATOM 8 ND2 ASN A 701 18.338 -4.169 -2.657 1.00 71.88 N ATOM 0 HA ASN A 701 15.315 -4.549 -2.317 1.00 60.06 H new ATOM 0 HB2 ASN A 701 16.088 -2.905 -4.501 1.00 63.46 H new ATOM 0 HB3 ASN A 701 16.500 -2.493 -3.054 1.00 63.46 H new ATOM 0 HD21 ASN A 701 19.042 -4.662 -2.675 1.00 71.88 H new ATOM 0 HD22 ASN A 701 18.167 -3.688 -1.965 1.00 71.88 H new ATOM 9 N SER A 702 14.231 -2.561 -1.295 1.00 55.02 N ATOM 10 CA SER A 702 13.488 -1.446 -0.711 1.00 50.74 C ATOM 11 C SER A 702 13.658 -0.165 -1.574 1.00 46.66 C ATOM 12 O SER A 702 14.668 0.010 -2.261 1.00 45.44 O ATOM 13 CB SER A 702 13.934 -1.199 0.758 1.00 48.68 C ATOM 14 OG SER A 702 13.049 -0.314 1.460 1.00 45.27 O ATOM 0 H SER A 702 14.765 -2.952 -0.746 1.00 55.02 H new ATOM 0 HA SER A 702 12.546 -1.676 -0.700 1.00 50.74 H new ATOM 0 HB2 SER A 702 13.977 -2.047 1.227 1.00 48.68 H new ATOM 0 HB3 SER A 702 14.830 -0.827 0.763 1.00 48.68 H new ATOM 0 HG SER A 702 13.324 -0.208 2.247 1.00 45.27 H new ATOM 15 N ASN A 703 12.639 0.695 -1.536 1.00 47.46 N ATOM 16 CA ASN A 703 12.617 1.998 -2.230 1.00 50.08 C ATOM 17 C ASN A 703 12.899 3.141 -1.302 1.00 41.39 C ATOM 18 O ASN A 703 12.838 4.291 -1.726 1.00 34.64 O ATOM 19 CB ASN A 703 11.231 2.270 -2.860 1.00 60.36 C ATOM 20 CG ASN A 703 10.758 1.128 -3.732 1.00 76.54 C ATOM 21 OD1 ASN A 703 11.565 0.320 -4.227 1.00 86.40 O ATOM 22 ND2 ASN A 703 9.443 1.037 -3.918 1.00 87.92 N ATOM 0 H ASN A 703 11.918 0.537 -1.094 1.00 47.46 H new ATOM 0 HA ASN A 703 13.307 1.942 -2.909 1.00 50.08 H new ATOM 0 HB2 ASN A 703 10.583 2.425 -2.155 1.00 60.36 H new ATOM 0 HB3 ASN A 703 11.273 3.082 -3.390 1.00 60.36 H new ATOM 0 HD21 ASN A 703 9.120 0.400 -4.397 1.00 87.92 H new ATOM 0 HD22 ASN A 703 8.917 1.615 -3.559 1.00 87.92 H new ATOM 23 N ILE A 704 13.197 2.842 -0.026 1.00 38.39 N ATOM 24 CA ILE A 704 13.631 3.872 0.931 1.00 35.94 C ATOM 25 C ILE A 704 14.946 3.441 1.612 1.00 32.30 C ATOM 26 O ILE A 704 15.204 2.253 1.746 1.00 31.21 O ATOM 27 CB ILE A 704 12.504 4.195 1.963 1.00 38.06 C ATOM 28 CG1 ILE A 704 12.091 2.974 2.799 1.00 40.91 C ATOM 29 CG2 ILE A 704 11.262 4.707 1.231 1.00 41.79 C ATOM 30 CD1 ILE A 704 11.033 3.238 3.864 1.00 40.54 C ATOM 0 H ILE A 704 13.154 2.049 0.303 1.00 38.39 H new ATOM 0 HA ILE A 704 13.806 4.696 0.449 1.00 35.94 H new ATOM 0 HB ILE A 704 12.866 4.867 2.562 1.00 38.06 H new ATOM 0 HG12 ILE A 704 11.760 2.287 2.199 1.00 40.91 H new ATOM 0 HG13 ILE A 704 12.881 2.615 3.232 1.00 40.91 H new ATOM 0 HG21 ILE A 704 10.565 4.906 1.876 1.00 41.79 H new ATOM 0 HG22 ILE A 704 11.485 5.512 0.738 1.00 41.79 H new ATOM 0 HG23 ILE A 704 10.947 4.028 0.614 1.00 41.79 H new ATOM 0 HD11 ILE A 704 10.838 2.414 4.338 1.00 40.54 H new ATOM 0 HD12 ILE A 704 11.363 3.900 4.491 1.00 40.54 H new ATOM 0 HD13 ILE A 704 10.224 3.568 3.442 1.00 40.54 H new ATOM 31 N CYS A 705 15.723 4.420 2.025 1.00 29.68 N ATOM 32 CA CYS A 705 16.948 4.233 2.816 1.00 30.97 C ATOM 33 C CYS A 705 16.596 3.574 4.161 1.00 26.56 C ATOM 34 O CYS A 705 15.662 3.950 4.859 1.00 24.32 O ATOM 35 CB CYS A 705 17.652 5.565 3.030 1.00 31.73 C ATOM 36 SG CYS A 705 19.189 5.566 4.052 1.00 25.27 S ATOM 0 H CYS A 705 15.556 5.246 1.853 1.00 29.68 H new ATOM 0 HA CYS A 705 17.555 3.651 2.333 1.00 30.97 H new ATOM 0 HB2 CYS A 705 17.872 5.930 2.159 1.00 31.73 H new ATOM 0 HB3 CYS A 705 17.019 6.175 3.441 1.00 31.73 H new ATOM 37 N GLU A 706 17.362 2.556 4.493 1.00 24.51 N ATOM 38 CA GLU A 706 17.148 1.802 5.662 1.00 24.40 C ATOM 39 C GLU A 706 17.361 2.637 6.914 1.00 20.94 C ATOM 40 O GLU A 706 16.734 2.335 7.869 1.00 24.29 O ATOM 41 CB GLU A 706 18.143 0.638 5.696 1.00 26.25 C ATOM 42 CG GLU A 706 17.919 -0.290 6.860 1.00 28.95 C ATOM 43 CD GLU A 706 16.821 -1.279 6.571 1.00 36.76 C ATOM 44 OE1 GLU A 706 16.196 -1.209 5.479 1.00 42.14 O ATOM 45 OE2 GLU A 706 16.627 -2.153 7.410 1.00 36.80 O ATOM 0 H GLU A 706 18.032 2.292 4.023 1.00 24.51 H new ATOM 0 HA GLU A 706 16.231 1.485 5.647 1.00 24.40 H new ATOM 0 HB2 GLU A 706 18.074 0.135 4.869 1.00 26.25 H new ATOM 0 HB3 GLU A 706 19.045 0.991 5.739 1.00 26.25 H new ATOM 0 HG2 GLU A 706 18.741 -0.765 7.059 1.00 28.95 H new ATOM 0 HG3 GLU A 706 17.692 0.227 7.649 1.00 28.95 H new ATOM 46 N VAL A 707 18.262 3.612 6.868 1.00 20.19 N ATOM 47 CA VAL A 707 18.697 4.440 7.992 1.00 20.32 C ATOM 48 C VAL A 707 17.722 5.604 8.211 1.00 23.98 C ATOM 49 O VAL A 707 17.178 5.755 9.333 1.00 21.79 O ATOM 50 CB VAL A 707 20.124 4.987 7.784 1.00 18.80 C ATOM 51 CG1 VAL A 707 20.607 5.869 8.927 1.00 18.17 C ATOM 52 CG2 VAL A 707 21.109 3.818 7.651 1.00 20.02 C ATOM 0 H VAL A 707 18.661 3.822 6.136 1.00 20.19 H new ATOM 0 HA VAL A 707 18.705 3.874 8.779 1.00 20.32 H new ATOM 0 HB VAL A 707 20.090 5.528 6.980 1.00 18.80 H new ATOM 0 HG11 VAL A 707 21.506 6.180 8.738 1.00 18.17 H new ATOM 0 HG12 VAL A 707 20.014 6.631 9.021 1.00 18.17 H new ATOM 0 HG13 VAL A 707 20.609 5.358 9.752 1.00 18.17 H new ATOM 0 HG21 VAL A 707 22.006 4.164 7.520 1.00 20.02 H new ATOM 0 HG22 VAL A 707 21.085 3.281 8.458 1.00 20.02 H new ATOM 0 HG23 VAL A 707 20.860 3.270 6.890 1.00 20.02 H new ATOM 53 N CYS A 708 17.484 6.405 7.163 1.00 21.23 N ATOM 54 CA CYS A 708 16.710 7.650 7.365 1.00 24.02 C ATOM 55 C CYS A 708 15.257 7.537 6.884 1.00 28.03 C ATOM 56 O CYS A 708 14.486 8.500 7.011 1.00 26.36 O ATOM 57 CB CYS A 708 17.420 8.827 6.759 1.00 22.26 C ATOM 58 SG CYS A 708 17.308 8.707 4.955 1.00 26.53 S ATOM 0 H CYS A 708 17.748 6.259 6.358 1.00 21.23 H new ATOM 0 HA CYS A 708 16.655 7.797 8.322 1.00 24.02 H new ATOM 0 HB2 CYS A 708 17.020 9.656 7.066 1.00 22.26 H new ATOM 0 HB3 CYS A 708 18.349 8.840 7.038 1.00 22.26 H new ATOM 59 N ASN A 709 14.896 6.370 6.347 1.00 28.99 N ATOM 60 CA ASN A 709 13.595 6.117 5.757 1.00 31.89 C ATOM 61 C ASN A 709 13.051 7.105 4.714 1.00 34.13 C ATOM 62 O ASN A 709 11.827 7.219 4.605 1.00 30.25 O ATOM 63 CB ASN A 709 12.568 5.972 6.850 1.00 32.18 C ATOM 64 CG ASN A 709 12.970 4.922 7.847 1.00 37.72 C ATOM 65 OD1 ASN A 709 13.382 5.247 8.972 1.00 37.74 O ATOM 66 ND2 ASN A 709 12.923 3.664 7.428 1.00 37.87 N ATOM 0 H ASN A 709 15.421 5.689 6.318 1.00 28.99 H new ATOM 0 HA ASN A 709 13.751 5.306 5.248 1.00 31.89 H new ATOM 0 HB2 ASN A 709 12.453 6.822 7.302 1.00 32.18 H new ATOM 0 HB3 ASN A 709 11.710 5.739 6.461 1.00 32.18 H new ATOM 0 HD21 ASN A 709 13.186 3.029 7.945 1.00 37.87 H new ATOM 0 HD22 ASN A 709 12.630 3.484 6.640 1.00 37.87 H new ATOM 67 N LYS A 710 13.941 7.799 4.002 1.00 29.94 N ATOM 68 CA LYS A 710 13.599 8.680 2.856 1.00 33.27 C ATOM 69 C LYS A 710 14.028 8.032 1.507 1.00 35.74 C ATOM 70 O LYS A 710 14.962 7.189 1.430 1.00 32.43 O ATOM 71 CB LYS A 710 14.308 9.999 2.978 1.00 30.92 C ATOM 72 CG LYS A 710 13.921 10.816 4.184 1.00 37.49 C ATOM 73 CD LYS A 710 12.489 11.274 4.115 1.00 39.71 C ATOM 74 CE LYS A 710 12.180 12.352 5.126 1.00 46.36 C ATOM 75 NZ LYS A 710 12.010 11.831 6.512 1.00 56.72 N ATOM 0 H LYS A 710 14.784 7.776 4.169 1.00 29.94 H new ATOM 0 HA LYS A 710 12.638 8.809 2.870 1.00 33.27 H new ATOM 0 HB2 LYS A 710 15.264 9.837 3.006 1.00 30.92 H new ATOM 0 HB3 LYS A 710 14.133 10.521 2.180 1.00 30.92 H new ATOM 0 HG2 LYS A 710 14.053 10.289 4.987 1.00 37.49 H new ATOM 0 HG3 LYS A 710 14.504 11.588 4.252 1.00 37.49 H new ATOM 0 HD2 LYS A 710 12.301 11.607 3.223 1.00 39.71 H new ATOM 0 HD3 LYS A 710 11.902 10.516 4.264 1.00 39.71 H new ATOM 0 HE2 LYS A 710 12.895 13.007 5.119 1.00 46.36 H new ATOM 0 HE3 LYS A 710 11.370 12.814 4.859 1.00 46.36 H new ATOM 0 HZ1 LYS A 710 11.830 12.506 7.063 1.00 56.72 H new ATOM 0 HZ2 LYS A 710 11.338 11.247 6.530 1.00 56.72 H new ATOM 0 HZ3 LYS A 710 12.760 11.428 6.772 1.00 56.72 H new ATOM 76 N TRP A 711 13.339 8.406 0.435 1.00 34.18 N ATOM 77 CA TRP A 711 13.774 8.093 -0.924 1.00 31.52 C ATOM 78 C TRP A 711 14.887 9.062 -1.322 1.00 31.12 C ATOM 79 O TRP A 711 15.366 9.911 -0.494 1.00 35.01 O ATOM 80 CB TRP A 711 12.564 8.123 -1.868 1.00 36.39 C ATOM 81 CG TRP A 711 12.822 7.801 -3.275 1.00 33.26 C ATOM 82 CD1 TRP A 711 13.135 6.593 -3.792 1.00 35.47 C ATOM 83 CD2 TRP A 711 12.784 8.717 -4.374 1.00 32.24 C ATOM 84 NE1 TRP A 711 13.283 6.689 -5.141 1.00 35.45 N ATOM 85 CE2 TRP A 711 13.077 7.984 -5.523 1.00 31.90 C ATOM 86 CE3 TRP A 711 12.483 10.080 -4.494 1.00 32.01 C ATOM 87 CZ2 TRP A 711 13.103 8.565 -6.786 1.00 32.25 C ATOM 88 CZ3 TRP A 711 12.503 10.650 -5.734 1.00 32.55 C ATOM 89 CH2 TRP A 711 12.813 9.896 -6.867 1.00 28.94 C ATOM 0 H TRP A 711 12.603 8.850 0.474 1.00 34.18 H new ATOM 0 HA TRP A 711 14.143 7.198 -0.981 1.00 31.52 H new ATOM 0 HB2 TRP A 711 11.901 7.500 -1.531 1.00 36.39 H new ATOM 0 HB3 TRP A 711 12.169 9.008 -1.827 1.00 36.39 H new ATOM 0 HD1 TRP A 711 13.235 5.811 -3.299 1.00 35.47 H new ATOM 0 HE1 TRP A 711 13.476 6.038 -5.669 1.00 35.45 H new ATOM 0 HE3 TRP A 711 12.274 10.587 -3.743 1.00 32.01 H new ATOM 0 HZ2 TRP A 711 13.309 8.067 -7.544 1.00 32.25 H new ATOM 0 HZ3 TRP A 711 12.307 11.555 -5.825 1.00 32.55 H new ATOM 0 HH2 TRP A 711 12.822 10.312 -7.699 1.00 28.94 H new ATOM 90 N GLY A 712 15.416 8.824 -2.520 1.00 28.90 N ATOM 91 CA GLY A 712 16.479 9.618 -3.102 1.00 27.96 C ATOM 92 C GLY A 712 17.409 8.698 -3.919 1.00 27.62 C ATOM 93 O GLY A 712 16.996 7.647 -4.419 1.00 29.86 O ATOM 0 H GLY A 712 15.156 8.178 -3.025 1.00 28.90 H new ATOM 0 HA2 GLY A 712 16.107 10.309 -3.672 1.00 27.96 H new ATOM 0 HA3 GLY A 712 16.982 10.067 -2.404 1.00 27.96 H new ATOM 94 N ARG A 713 18.642 9.136 -4.075 1.00 28.91 N ATOM 95 CA ARG A 713 19.684 8.376 -4.757 1.00 30.88 C ATOM 96 C ARG A 713 20.097 7.220 -3.825 1.00 32.10 C ATOM 97 O ARG A 713 20.818 7.431 -2.889 1.00 29.47 O ATOM 98 CB ARG A 713 20.861 9.306 -5.040 1.00 32.84 C ATOM 99 CG ARG A 713 22.046 8.669 -5.768 1.00 44.47 C ATOM 100 CD ARG A 713 21.644 8.027 -7.098 1.00 55.33 C ATOM 101 NE ARG A 713 22.651 7.112 -7.626 1.00 64.71 N ATOM 102 CZ ARG A 713 22.546 5.784 -7.759 1.00 64.86 C ATOM 103 NH1 ARG A 713 23.583 5.119 -8.256 1.00 66.02 N ATOM 104 NH2 ARG A 713 21.449 5.107 -7.416 1.00 60.73 N ATOM 0 H ARG A 713 18.909 9.900 -3.783 1.00 28.91 H new ATOM 0 HA ARG A 713 19.375 8.014 -5.602 1.00 30.88 H new ATOM 0 HB2 ARG A 713 20.542 10.054 -5.568 1.00 32.84 H new ATOM 0 HB3 ARG A 713 21.176 9.668 -4.197 1.00 32.84 H new ATOM 0 HG2 ARG A 713 22.723 9.345 -5.930 1.00 44.47 H new ATOM 0 HG3 ARG A 713 22.448 7.996 -5.197 1.00 44.47 H new ATOM 0 HD2 ARG A 713 20.810 7.546 -6.979 1.00 55.33 H new ATOM 0 HD3 ARG A 713 21.478 8.726 -7.750 1.00 55.33 H new ATOM 0 HE ARG A 713 23.393 7.465 -7.880 1.00 64.71 H new ATOM 0 HH11 ARG A 713 24.297 5.542 -8.482 1.00 66.02 H new ATOM 0 HH12 ARG A 713 23.541 4.265 -8.351 1.00 66.02 H new ATOM 0 HH21 ARG A 713 20.769 5.524 -7.094 1.00 60.73 H new ATOM 0 HH22 ARG A 713 21.421 4.253 -7.517 1.00 60.73 H new ATOM 105 N LEU A 714 19.589 6.026 -4.051 1.00 31.38 N ATOM 106 CA LEU A 714 19.872 4.888 -3.187 1.00 32.96 C ATOM 107 C LEU A 714 20.838 3.895 -3.853 1.00 38.93 C ATOM 108 O LEU A 714 20.792 3.691 -5.075 1.00 40.19 O ATOM 109 CB LEU A 714 18.563 4.147 -2.891 1.00 30.28 C ATOM 110 CG LEU A 714 17.473 4.948 -2.214 1.00 28.21 C ATOM 111 CD1 LEU A 714 16.175 4.199 -2.255 1.00 28.71 C ATOM 112 CD2 LEU A 714 17.871 5.341 -0.798 1.00 31.01 C ATOM 0 H LEU A 714 19.068 5.846 -4.711 1.00 31.38 H new ATOM 0 HA LEU A 714 20.281 5.227 -2.375 1.00 32.96 H new ATOM 0 HB2 LEU A 714 18.212 3.804 -3.728 1.00 30.28 H new ATOM 0 HB3 LEU A 714 18.767 3.380 -2.333 1.00 30.28 H new ATOM 0 HG LEU A 714 17.348 5.776 -2.703 1.00 28.21 H new ATOM 0 HD11 LEU A 714 15.485 4.723 -1.818 1.00 28.71 H new ATOM 0 HD12 LEU A 714 15.923 4.038 -3.178 1.00 28.71 H new ATOM 0 HD13 LEU A 714 16.276 3.351 -1.796 1.00 28.71 H new ATOM 0 HD21 LEU A 714 17.154 5.852 -0.390 1.00 31.01 H new ATOM 0 HD22 LEU A 714 18.036 4.541 -0.274 1.00 31.01 H new ATOM 0 HD23 LEU A 714 18.677 5.880 -0.826 1.00 31.01 H new ATOM 113 N PHE A 715 21.682 3.270 -3.039 1.00 35.64 N ATOM 114 CA PHE A 715 22.465 2.084 -3.423 1.00 37.24 C ATOM 115 C PHE A 715 21.904 0.789 -2.833 1.00 34.32 C ATOM 116 O PHE A 715 21.652 0.669 -1.639 1.00 38.31 O ATOM 117 CB PHE A 715 23.891 2.327 -3.030 1.00 37.00 C ATOM 118 CG PHE A 715 24.467 3.562 -3.663 1.00 41.14 C ATOM 119 CD1 PHE A 715 25.164 3.484 -4.875 1.00 45.28 C ATOM 120 CD2 PHE A 715 24.301 4.800 -3.075 1.00 42.24 C ATOM 121 CE1 PHE A 715 25.698 4.620 -5.464 1.00 48.10 C ATOM 122 CE2 PHE A 715 24.833 5.944 -3.656 1.00 46.04 C ATOM 123 CZ PHE A 715 25.537 5.857 -4.859 1.00 46.95 C ATOM 0 H PHE A 715 21.823 3.524 -2.230 1.00 35.64 H new ATOM 0 HA PHE A 715 22.409 1.956 -4.383 1.00 37.24 H new ATOM 0 HB2 PHE A 715 23.947 2.407 -2.065 1.00 37.00 H new ATOM 0 HB3 PHE A 715 24.427 1.559 -3.283 1.00 37.00 H new ATOM 0 HD1 PHE A 715 25.270 2.659 -5.291 1.00 45.28 H new ATOM 0 HD2 PHE A 715 23.826 4.869 -2.278 1.00 42.24 H new ATOM 0 HE1 PHE A 715 26.165 4.552 -6.266 1.00 48.10 H new ATOM 0 HE2 PHE A 715 24.720 6.770 -3.243 1.00 46.04 H new ATOM 0 HZ PHE A 715 25.894 6.621 -5.250 1.00 46.95 H new ATOM 124 N CYS A 716 21.718 -0.214 -3.661 1.00 33.61 N ATOM 125 CA CYS A 716 21.008 -1.406 -3.245 1.00 35.71 C ATOM 126 C CYS A 716 22.009 -2.483 -2.883 1.00 38.23 C ATOM 127 O CYS A 716 23.022 -2.624 -3.557 1.00 48.06 O ATOM 128 CB CYS A 716 20.096 -1.914 -4.362 1.00 43.51 C ATOM 129 SG CYS A 716 18.595 -0.916 -4.637 1.00 48.28 S ATOM 0 H CYS A 716 21.996 -0.227 -4.475 1.00 33.61 H new ATOM 0 HA CYS A 716 20.460 -1.188 -2.475 1.00 35.71 H new ATOM 0 HB2 CYS A 716 20.604 -1.946 -5.188 1.00 43.51 H new ATOM 0 HB3 CYS A 716 19.831 -2.824 -4.157 1.00 43.51 H new ATOM 0 HG CYS A 716 18.073 -0.679 -3.583 1.00 48.28 H new ATOM 130 N CYS A 717 21.729 -3.206 -1.804 1.00 39.09 N ATOM 131 CA CYS A 717 22.556 -4.328 -1.386 1.00 42.21 C ATOM 132 C CYS A 717 22.277 -5.511 -2.303 1.00 42.14 C ATOM 133 O CYS A 717 21.103 -5.768 -2.630 1.00 42.21 O ATOM 134 CB CYS A 717 22.207 -4.741 0.029 1.00 40.23 C ATOM 135 SG CYS A 717 23.181 -6.129 0.639 1.00 33.90 S ATOM 0 H CYS A 717 21.053 -3.058 -1.294 1.00 39.09 H new ATOM 0 HA CYS A 717 23.488 -4.064 -1.428 1.00 42.21 H new ATOM 0 HB2 CYS A 717 22.334 -3.982 0.620 1.00 40.23 H new ATOM 0 HB3 CYS A 717 21.266 -4.975 0.067 1.00 40.23 H new ATOM 136 N ASP A 718 23.327 -6.251 -2.663 1.00 41.52 N ATOM 137 CA ASP A 718 23.169 -7.428 -3.553 1.00 42.64 C ATOM 138 C ASP A 718 22.800 -8.704 -2.826 1.00 45.09 C ATOM 139 O ASP A 718 22.330 -9.632 -3.458 1.00 50.11 O ATOM 140 CB ASP A 718 24.380 -7.575 -4.473 1.00 43.41 C ATOM 141 CG ASP A 718 24.402 -6.496 -5.542 1.00 44.88 C ATOM 142 OD1 ASP A 718 23.373 -6.392 -6.221 1.00 53.09 O ATOM 143 OD2 ASP A 718 25.381 -5.726 -5.715 1.00 43.53 O ATOM 0 H ASP A 718 24.135 -6.098 -2.411 1.00 41.52 H new ATOM 0 HA ASP A 718 22.398 -7.256 -4.115 1.00 42.64 H new ATOM 0 HB2 ASP A 718 25.194 -7.528 -3.948 1.00 43.41 H new ATOM 0 HB3 ASP A 718 24.364 -8.449 -4.894 1.00 43.41 H new ATOM 144 N THR A 719 22.926 -8.746 -1.500 1.00 41.22 N ATOM 145 CA THR A 719 22.634 -9.962 -0.752 1.00 39.10 C ATOM 146 C THR A 719 21.460 -9.832 0.180 1.00 38.72 C ATOM 147 O THR A 719 21.194 -10.746 0.952 1.00 42.68 O ATOM 148 CB THR A 719 23.899 -10.400 0.019 1.00 43.96 C ATOM 149 OG1 THR A 719 24.517 -9.265 0.670 1.00 40.11 O ATOM 150 CG2 THR A 719 24.900 -10.975 -0.958 1.00 43.53 C ATOM 0 H THR A 719 23.179 -8.081 -1.017 1.00 41.22 H new ATOM 0 HA THR A 719 22.380 -10.641 -1.397 1.00 39.10 H new ATOM 0 HB THR A 719 23.641 -11.058 0.684 1.00 43.96 H new ATOM 0 HG1 THR A 719 24.096 -9.082 1.374 1.00 40.11 H new ATOM 0 HG21 THR A 719 25.697 -11.252 -0.480 1.00 43.53 H new ATOM 0 HG22 THR A 719 24.510 -11.741 -1.407 1.00 43.53 H new ATOM 0 HG23 THR A 719 25.135 -10.301 -1.615 1.00 43.53 H new ATOM 151 N CYS A 720 20.768 -8.692 0.176 1.00 35.88 N ATOM 152 CA CYS A 720 19.529 -8.533 1.002 1.00 36.61 C ATOM 153 C CYS A 720 18.736 -7.414 0.368 1.00 30.44 C ATOM 154 O CYS A 720 19.269 -6.707 -0.454 1.00 34.05 O ATOM 155 CB CYS A 720 19.801 -8.246 2.510 1.00 34.07 C ATOM 156 SG CYS A 720 20.285 -6.524 2.951 1.00 31.73 S ATOM 0 H CYS A 720 20.982 -7.999 -0.286 1.00 35.88 H new ATOM 0 HA CYS A 720 19.041 -9.371 1.006 1.00 36.61 H new ATOM 0 HB2 CYS A 720 19.002 -8.473 3.010 1.00 34.07 H new ATOM 0 HB3 CYS A 720 20.503 -8.844 2.810 1.00 34.07 H new ATOM 157 N PRO A 721 17.479 -7.255 0.748 1.00 35.62 N ATOM 158 CA PRO A 721 16.684 -6.203 0.135 1.00 36.14 C ATOM 159 C PRO A 721 16.893 -4.738 0.636 1.00 40.79 C ATOM 160 O PRO A 721 16.106 -3.869 0.235 1.00 41.05 O ATOM 161 CB PRO A 721 15.246 -6.674 0.397 1.00 36.92 C ATOM 162 CG PRO A 721 15.304 -7.570 1.588 1.00 38.40 C ATOM 163 CD PRO A 721 16.730 -7.991 1.793 1.00 35.66 C ATOM 0 HA PRO A 721 16.945 -6.109 -0.795 1.00 36.14 H new ATOM 0 HB2 PRO A 721 14.660 -5.919 0.561 1.00 36.92 H new ATOM 0 HB3 PRO A 721 14.892 -7.146 -0.373 1.00 36.92 H new ATOM 0 HG2 PRO A 721 14.972 -7.109 2.374 1.00 38.40 H new ATOM 0 HG3 PRO A 721 14.738 -8.347 1.454 1.00 38.40 H new ATOM 0 HD2 PRO A 721 17.043 -7.761 2.682 1.00 35.66 H new ATOM 0 HD3 PRO A 721 16.834 -8.950 1.695 1.00 35.66 H new ATOM 164 N ARG A 722 17.929 -4.429 1.428 1.00 32.74 N ATOM 165 CA ARG A 722 18.121 -3.029 1.900 1.00 32.60 C ATOM 166 C ARG A 722 18.746 -2.113 0.914 1.00 29.23 C ATOM 167 O ARG A 722 19.545 -2.518 0.057 1.00 35.34 O ATOM 168 CB ARG A 722 18.949 -2.979 3.214 1.00 29.85 C ATOM 169 CG ARG A 722 18.333 -3.810 4.337 1.00 30.44 C ATOM 170 CD ARG A 722 19.206 -3.831 5.571 1.00 31.45 C ATOM 171 NE ARG A 722 18.591 -4.554 6.689 1.00 32.13 N ATOM 172 CZ ARG A 722 18.732 -5.857 6.939 1.00 28.64 C ATOM 173 NH1 ARG A 722 19.426 -6.648 6.143 1.00 32.34 N ATOM 174 NH2 ARG A 722 18.154 -6.366 7.981 1.00 31.50 N ATOM 0 H ARG A 722 18.520 -4.990 1.701 1.00 32.74 H new ATOM 0 HA ARG A 722 17.217 -2.711 2.049 1.00 32.60 H new ATOM 0 HB2 ARG A 722 19.848 -3.299 3.037 1.00 29.85 H new ATOM 0 HB3 ARG A 722 19.028 -2.057 3.506 1.00 29.85 H new ATOM 0 HG2 ARG A 722 17.462 -3.449 4.564 1.00 30.44 H new ATOM 0 HG3 ARG A 722 18.192 -4.718 4.026 1.00 30.44 H new ATOM 0 HD2 ARG A 722 20.057 -4.243 5.353 1.00 31.45 H new ATOM 0 HD3 ARG A 722 19.394 -2.920 5.845 1.00 31.45 H new ATOM 0 HE ARG A 722 18.098 -4.100 7.228 1.00 32.13 H new ATOM 0 HH11 ARG A 722 19.803 -6.327 5.440 1.00 32.34 H new ATOM 0 HH12 ARG A 722 19.501 -7.485 6.327 1.00 32.34 H new ATOM 0 HH21 ARG A 722 17.687 -5.865 8.501 1.00 31.50 H new ATOM 0 HH22 ARG A 722 18.238 -7.205 8.152 1.00 31.50 H new ATOM 175 N SER A 723 18.461 -0.833 1.080 1.00 27.87 N ATOM 176 CA SER A 723 19.080 0.204 0.250 1.00 27.22 C ATOM 177 C SER A 723 19.449 1.371 1.141 1.00 26.34 C ATOM 178 O SER A 723 18.815 1.533 2.164 1.00 31.27 O ATOM 179 CB SER A 723 18.096 0.674 -0.874 1.00 33.72 C ATOM 180 OG SER A 723 17.460 -0.476 -1.517 1.00 35.83 O ATOM 0 H SER A 723 17.910 -0.536 1.669 1.00 27.87 H new ATOM 0 HA SER A 723 19.873 -0.153 -0.180 1.00 27.22 H new ATOM 0 HB2 SER A 723 17.418 1.255 -0.495 1.00 33.72 H new ATOM 0 HB3 SER A 723 18.578 1.195 -1.535 1.00 33.72 H new ATOM 0 HG SER A 723 16.657 -0.295 -1.683 1.00 35.83 H new ATOM 181 N PHE A 724 20.423 2.177 0.731 1.00 24.59 N ATOM 182 CA PHE A 724 20.994 3.231 1.558 1.00 24.33 C ATOM 183 C PHE A 724 21.317 4.431 0.729 1.00 26.51 C ATOM 184 O PHE A 724 21.815 4.294 -0.411 1.00 24.85 O ATOM 185 CB PHE A 724 22.325 2.732 2.152 1.00 26.66 C ATOM 186 CG PHE A 724 22.163 1.513 2.997 1.00 25.13 C ATOM 187 CD1 PHE A 724 22.051 0.277 2.428 1.00 25.79 C ATOM 188 CD2 PHE A 724 22.045 1.625 4.395 1.00 26.13 C ATOM 189 CE1 PHE A 724 21.844 -0.866 3.221 1.00 28.11 C ATOM 190 CE2 PHE A 724 21.801 0.503 5.186 1.00 24.86 C ATOM 191 CZ PHE A 724 21.728 -0.757 4.603 1.00 25.05 C ATOM 0 H PHE A 724 20.777 2.124 -0.051 1.00 24.59 H new ATOM 0 HA PHE A 724 20.351 3.459 2.247 1.00 24.33 H new ATOM 0 HB2 PHE A 724 22.944 2.540 1.430 1.00 26.66 H new ATOM 0 HB3 PHE A 724 22.721 3.439 2.685 1.00 26.66 H new ATOM 0 HD1 PHE A 724 22.112 0.190 1.504 1.00 25.79 H new ATOM 0 HD2 PHE A 724 22.131 2.459 4.797 1.00 26.13 H new ATOM 0 HE1 PHE A 724 21.784 -1.702 2.818 1.00 28.11 H new ATOM 0 HE2 PHE A 724 21.687 0.598 6.104 1.00 24.86 H new ATOM 0 HZ PHE A 724 21.604 -1.514 5.128 1.00 25.05 H new ATOM 192 N HIS A 725 21.173 5.627 1.317 1.00 24.69 N ATOM 193 CA HIS A 725 21.897 6.707 0.765 1.00 25.53 C ATOM 194 C HIS A 725 23.416 6.475 0.944 1.00 31.75 C ATOM 195 O HIS A 725 23.879 5.847 1.940 1.00 28.32 O ATOM 196 CB HIS A 725 21.561 8.033 1.383 1.00 27.55 C ATOM 197 CG HIS A 725 20.160 8.452 1.151 1.00 30.12 C ATOM 198 ND1 HIS A 725 19.152 8.154 2.036 1.00 27.87 N ATOM 199 CD2 HIS A 725 19.567 9.062 0.094 1.00 34.52 C ATOM 200 CE1 HIS A 725 18.009 8.640 1.591 1.00 29.21 C ATOM 201 NE2 HIS A 725 18.225 9.171 0.396 1.00 32.48 N ATOM 0 H HIS A 725 20.681 5.803 2.000 1.00 24.69 H new ATOM 0 HA HIS A 725 21.647 6.739 -0.172 1.00 25.53 H new ATOM 0 HB2 HIS A 725 21.724 7.988 2.338 1.00 27.55 H new ATOM 0 HB3 HIS A 725 22.157 8.709 1.025 1.00 27.55 H new ATOM 0 HD2 HIS A 725 19.985 9.351 -0.685 1.00 34.52 H new ATOM 0 HE1 HIS A 725 17.194 8.614 2.038 1.00 29.21 H new ATOM 0 HE2 HIS A 725 17.626 9.526 -0.109 1.00 32.48 H new ATOM 202 N GLU A 726 24.180 7.095 0.043 1.00 32.67 N ATOM 203 CA GLU A 726 25.632 7.042 0.067 1.00 35.20 C ATOM 204 C GLU A 726 26.221 7.230 1.478 1.00 33.91 C ATOM 205 O GLU A 726 26.985 6.394 1.903 1.00 34.99 O ATOM 206 CB GLU A 726 26.247 8.072 -0.882 1.00 38.49 C ATOM 207 CG GLU A 726 27.774 8.034 -0.920 1.00 43.65 C ATOM 208 CD GLU A 726 28.395 8.948 -1.951 1.00 50.49 C ATOM 209 OE1 GLU A 726 27.639 9.702 -2.594 1.00 51.98 O ATOM 210 OE2 GLU A 726 29.641 8.898 -2.107 1.00 53.02 O ATOM 0 H GLU A 726 23.861 7.562 -0.605 1.00 32.67 H new ATOM 0 HA GLU A 726 25.863 6.149 -0.233 1.00 35.20 H new ATOM 0 HB2 GLU A 726 25.905 7.921 -1.777 1.00 38.49 H new ATOM 0 HB3 GLU A 726 25.960 8.959 -0.615 1.00 38.49 H new ATOM 0 HG2 GLU A 726 28.115 8.274 -0.044 1.00 43.65 H new ATOM 0 HG3 GLU A 726 28.060 7.124 -1.096 1.00 43.65 H new ATOM 211 N HIS A 727 25.836 8.299 2.175 1.00 30.44 N ATOM 212 CA HIS A 727 26.449 8.699 3.455 1.00 30.08 C ATOM 213 C HIS A 727 25.627 8.326 4.684 1.00 27.36 C ATOM 214 O HIS A 727 25.981 8.668 5.798 1.00 28.57 O ATOM 215 CB HIS A 727 26.734 10.199 3.426 1.00 33.51 C ATOM 216 CG HIS A 727 27.765 10.576 2.419 1.00 42.28 C ATOM 217 ND1 HIS A 727 28.996 9.953 2.350 1.00 47.69 N ATOM 218 CD2 HIS A 727 27.753 11.495 1.428 1.00 46.46 C ATOM 219 CE1 HIS A 727 29.701 10.479 1.367 1.00 51.49 C ATOM 220 NE2 HIS A 727 28.968 11.416 0.792 1.00 55.39 N ATOM 0 H HIS A 727 25.204 8.822 1.919 1.00 30.44 H new ATOM 0 HA HIS A 727 27.275 8.198 3.542 1.00 30.08 H new ATOM 0 HB2 HIS A 727 25.911 10.676 3.233 1.00 33.51 H new ATOM 0 HB3 HIS A 727 27.028 10.484 4.305 1.00 33.51 H new ATOM 0 HD2 HIS A 727 27.055 12.072 1.217 1.00 46.46 H new ATOM 0 HE1 HIS A 727 30.564 10.233 1.121 1.00 51.49 H new ATOM 0 HE2 HIS A 727 29.213 11.900 0.125 1.00 55.39 H new ATOM 221 N CYS A 728 24.508 7.647 4.487 1.00 26.09 N ATOM 222 CA CYS A 728 23.755 7.055 5.559 1.00 24.55 C ATOM 223 C CYS A 728 24.393 5.679 5.894 1.00 25.56 C ATOM 224 O CYS A 728 24.388 5.277 7.071 1.00 24.60 O ATOM 225 CB CYS A 728 22.261 6.905 5.225 1.00 26.03 C ATOM 226 SG CYS A 728 21.294 8.489 5.116 1.00 28.70 S ATOM 0 H CYS A 728 24.164 7.519 3.709 1.00 26.09 H new ATOM 0 HA CYS A 728 23.793 7.644 6.329 1.00 24.55 H new ATOM 0 HB2 CYS A 728 22.181 6.438 4.378 1.00 26.03 H new ATOM 0 HB3 CYS A 728 21.851 6.341 5.899 1.00 26.03 H new ATOM 227 N HIS A 729 24.858 4.960 4.876 1.00 21.75 N ATOM 228 CA HIS A 729 25.580 3.718 5.121 1.00 21.26 C ATOM 229 C HIS A 729 26.888 4.028 5.803 1.00 20.58 C ATOM 230 O HIS A 729 27.464 5.121 5.605 1.00 20.54 O ATOM 231 CB HIS A 729 25.796 2.931 3.839 1.00 20.19 C ATOM 232 CG HIS A 729 26.205 1.525 4.085 1.00 19.62 C ATOM 233 ND1 HIS A 729 27.522 1.159 4.257 1.00 22.22 N ATOM 234 CD2 HIS A 729 25.484 0.400 4.179 1.00 20.63 C ATOM 235 CE1 HIS A 729 27.589 -0.140 4.447 1.00 19.69 C ATOM 236 NE2 HIS A 729 26.369 -0.615 4.417 1.00 22.40 N ATOM 0 H HIS A 729 24.767 5.171 4.047 1.00 21.75 H new ATOM 0 HA HIS A 729 25.045 3.156 5.703 1.00 21.26 H new ATOM 0 HB2 HIS A 729 24.977 2.938 3.319 1.00 20.19 H new ATOM 0 HB3 HIS A 729 26.475 3.372 3.305 1.00 20.19 H new ATOM 0 HD1 HIS A 729 28.194 1.695 4.242 1.00 22.22 H new ATOM 0 HD2 HIS A 729 24.561 0.324 4.098 1.00 20.63 H new ATOM 0 HE1 HIS A 729 28.366 -0.634 4.579 1.00 19.69 H new ATOM 237 N ILE A 730 27.309 3.128 6.724 1.00 20.55 N ATOM 238 CA ILE A 730 28.571 3.312 7.381 1.00 19.69 C ATOM 239 C ILE A 730 29.299 1.951 7.259 1.00 22.76 C ATOM 240 O ILE A 730 28.710 0.922 7.602 1.00 22.80 O ATOM 241 CB ILE A 730 28.451 3.605 8.880 1.00 20.33 C ATOM 242 CG1 ILE A 730 27.507 4.789 9.137 1.00 20.08 C ATOM 243 CG2 ILE A 730 29.832 3.865 9.438 1.00 20.30 C ATOM 244 CD1 ILE A 730 27.309 5.141 10.634 1.00 19.92 C ATOM 0 H ILE A 730 26.871 2.427 6.961 1.00 20.55 H new ATOM 0 HA ILE A 730 29.022 4.067 6.972 1.00 19.69 H new ATOM 0 HB ILE A 730 28.066 2.838 9.331 1.00 20.33 H new ATOM 0 HG12 ILE A 730 27.853 5.569 8.676 1.00 20.08 H new ATOM 0 HG13 ILE A 730 26.642 4.589 8.746 1.00 20.08 H new ATOM 0 HG21 ILE A 730 29.768 4.052 10.388 1.00 20.30 H new ATOM 0 HG22 ILE A 730 30.390 3.083 9.300 1.00 20.30 H new ATOM 0 HG23 ILE A 730 30.226 4.627 8.985 1.00 20.30 H new ATOM 0 HD11 ILE A 730 26.703 5.895 10.712 1.00 19.92 H new ATOM 0 HD12 ILE A 730 26.935 4.377 11.100 1.00 19.92 H new ATOM 0 HD13 ILE A 730 28.165 5.372 11.028 1.00 19.92 H new ATOM 245 N PRO A 731 30.500 1.942 6.705 1.00 22.85 N ATOM 246 CA PRO A 731 31.146 3.082 6.037 1.00 24.18 C ATOM 247 C PRO A 731 30.396 3.552 4.800 1.00 25.21 C ATOM 248 O PRO A 731 29.528 2.840 4.367 1.00 24.47 O ATOM 249 CB PRO A 731 32.462 2.516 5.573 1.00 27.34 C ATOM 250 CG PRO A 731 32.647 1.237 6.276 1.00 25.60 C ATOM 251 CD PRO A 731 31.286 0.701 6.600 1.00 27.95 C ATOM 0 HA PRO A 731 31.199 3.841 6.639 1.00 24.18 H new ATOM 0 HB2 PRO A 731 32.460 2.383 4.612 1.00 27.34 H new ATOM 0 HB3 PRO A 731 33.189 3.127 5.773 1.00 27.34 H new ATOM 0 HG2 PRO A 731 33.137 0.610 5.721 1.00 25.60 H new ATOM 0 HG3 PRO A 731 33.165 1.365 7.086 1.00 25.60 H new ATOM 0 HD2 PRO A 731 30.950 0.114 5.905 1.00 27.95 H new ATOM 0 HD3 PRO A 731 31.280 0.194 7.427 1.00 27.95 H new ATOM 252 N SER A 732 30.706 4.742 4.268 1.00 28.98 N ATOM 253 CA SER A 732 30.016 5.232 3.020 1.00 36.07 C ATOM 254 C SER A 732 30.077 4.238 1.850 1.00 38.88 C ATOM 255 O SER A 732 31.078 3.503 1.670 1.00 37.09 O ATOM 256 CB SER A 732 30.579 6.549 2.548 1.00 40.37 C ATOM 257 OG SER A 732 30.431 7.503 3.564 1.00 44.36 O ATOM 0 H SER A 732 31.294 5.280 4.591 1.00 28.98 H new ATOM 0 HA SER A 732 29.088 5.337 3.283 1.00 36.07 H new ATOM 0 HB2 SER A 732 31.516 6.449 2.317 1.00 40.37 H new ATOM 0 HB3 SER A 732 30.119 6.841 1.746 1.00 40.37 H new ATOM 0 HG SER A 732 30.031 8.176 3.260 1.00 44.36 H new ATOM 258 N VAL A 733 29.003 4.168 1.077 1.00 40.18 N ATOM 259 CA VAL A 733 28.912 3.118 0.056 1.00 42.00 C ATOM 260 C VAL A 733 30.109 3.177 -0.874 1.00 51.76 C ATOM 261 O VAL A 733 30.559 4.249 -1.254 1.00 48.96 O ATOM 262 CB VAL A 733 27.611 3.115 -0.716 1.00 43.17 C ATOM 263 CG1 VAL A 733 27.586 2.000 -1.774 1.00 39.83 C ATOM 264 CG2 VAL A 733 26.429 2.919 0.240 1.00 42.29 C ATOM 0 H VAL A 733 28.329 4.700 1.119 1.00 40.18 H new ATOM 0 HA VAL A 733 28.922 2.275 0.535 1.00 42.00 H new ATOM 0 HB VAL A 733 27.538 3.972 -1.165 1.00 43.17 H new ATOM 0 HG11 VAL A 733 26.741 2.025 -2.250 1.00 39.83 H new ATOM 0 HG12 VAL A 733 28.314 2.132 -2.401 1.00 39.83 H new ATOM 0 HG13 VAL A 733 27.687 1.139 -1.339 1.00 39.83 H new ATOM 0 HG21 VAL A 733 25.601 2.919 -0.265 1.00 42.29 H new ATOM 0 HG22 VAL A 733 26.525 2.073 0.704 1.00 42.29 H new ATOM 0 HG23 VAL A 733 26.412 3.642 0.887 1.00 42.29 H new ATOM 265 N GLU A 734 30.648 1.988 -1.164 1.00 63.17 N ATOM 266 CA GLU A 734 31.934 1.817 -1.849 1.00 69.52 C ATOM 267 C GLU A 734 31.735 2.054 -3.376 1.00 74.84 C ATOM 268 O GLU A 734 30.704 1.646 -3.945 1.00 62.59 O ATOM 269 CB GLU A 734 32.525 0.422 -1.525 1.00 68.74 C ATOM 270 CG GLU A 734 32.924 0.173 -0.051 1.00 69.18 C ATOM 271 CD GLU A 734 31.760 0.033 0.964 1.00 73.37 C ATOM 272 OE1 GLU A 734 30.649 -0.357 0.589 1.00 75.08 O ATOM 273 OE2 GLU A 734 31.923 0.311 2.168 1.00 73.00 O ATOM 0 H GLU A 734 30.268 1.243 -0.963 1.00 63.17 H new ATOM 0 HA GLU A 734 32.578 2.470 -1.535 1.00 69.52 H new ATOM 0 HB2 GLU A 734 31.876 -0.251 -1.783 1.00 68.74 H new ATOM 0 HB3 GLU A 734 33.309 0.287 -2.080 1.00 68.74 H new ATOM 0 HG2 GLU A 734 33.459 -0.635 -0.013 1.00 69.18 H new ATOM 0 HG3 GLU A 734 33.493 0.904 0.238 1.00 69.18 H new ATOM 274 N ALA A 735 32.714 2.734 -4.000 1.00 86.35 N ATOM 275 CA ALA A 735 32.617 3.273 -5.384 1.00 94.50 C ATOM 276 C ALA A 735 32.245 2.214 -6.425 1.00106.78 C ATOM 277 O ALA A 735 31.238 2.348 -7.143 1.00116.34 O ATOM 278 CB ALA A 735 33.919 3.958 -5.794 1.00 85.52 C ATOM 0 H ALA A 735 33.471 2.901 -3.626 1.00 86.35 H new ATOM 0 HA ALA A 735 31.895 3.921 -5.364 1.00 94.50 H new ATOM 0 HB1 ALA A 735 33.834 4.301 -6.697 1.00 85.52 H new ATOM 0 HB2 ALA A 735 34.105 4.691 -5.186 1.00 85.52 H new ATOM 0 HB3 ALA A 735 34.647 3.318 -5.759 1.00 85.52 H new ATOM 279 N ASN A 736 33.054 1.164 -6.497 1.00 99.30 N ATOM 280 CA ASN A 736 32.775 0.052 -7.383 1.00103.74 C ATOM 281 C ASN A 736 32.311 -1.161 -6.527 1.00105.74 C ATOM 282 O ASN A 736 31.445 -0.968 -5.658 1.00116.01 O ATOM 283 CB ASN A 736 33.989 -0.173 -8.297 1.00107.84 C ATOM 284 CG ASN A 736 33.601 -0.764 -9.637 1.00102.87 C ATOM 285 OD1 ASN A 736 33.219 -1.925 -9.710 1.00122.33 O ATOM 286 ND2 ASN A 736 33.681 0.035 -10.699 1.00 90.14 N ATOM 0 H ASN A 736 33.775 1.079 -6.035 1.00 99.30 H new ATOM 0 HA ASN A 736 32.040 0.223 -7.992 1.00103.74 H new ATOM 0 HB2 ASN A 736 34.445 0.671 -8.439 1.00107.84 H new ATOM 0 HB3 ASN A 736 34.618 -0.765 -7.855 1.00107.84 H new ATOM 0 HD21 ASN A 736 33.459 -0.259 -11.476 1.00 90.14 H new ATOM 0 HD22 ASN A 736 33.954 0.845 -10.608 1.00 90.14 H new ATOM 287 N LYS A 737 32.851 -2.370 -6.739 1.00 98.57 N ATOM 288 CA LYS A 737 32.403 -3.590 -6.044 1.00 94.30 C ATOM 289 C LYS A 737 31.019 -4.035 -6.552 1.00 89.83 C ATOM 290 O LYS A 737 29.990 -3.481 -6.168 1.00 85.81 O ATOM 291 CB LYS A 737 32.413 -3.420 -4.507 1.00 90.24 C ATOM 0 H LYS A 737 33.493 -2.506 -7.295 1.00 98.57 H new ATOM 0 HA LYS A 737 33.039 -4.292 -6.252 1.00 94.30 H new ATOM 292 N ASN A 738 31.013 -5.008 -7.457 1.00 84.03 N ATOM 293 CA ASN A 738 29.779 -5.685 -7.881 1.00 86.45 C ATOM 294 C ASN A 738 30.045 -7.173 -7.763 1.00 83.26 C ATOM 295 O ASN A 738 31.006 -7.630 -8.357 1.00102.77 O ATOM 296 CB ASN A 738 29.419 -5.333 -9.324 1.00 91.91 C ATOM 297 CG ASN A 738 29.675 -3.864 -9.648 1.00 94.32 C ATOM 298 OD1 ASN A 738 30.804 -3.381 -9.545 1.00 89.73 O ATOM 299 ND2 ASN A 738 28.628 -3.151 -10.044 1.00 95.21 N ATOM 0 H ASN A 738 31.723 -5.299 -7.846 1.00 84.03 H new ATOM 0 HA ASN A 738 29.033 -5.407 -7.328 1.00 86.45 H new ATOM 0 HB2 ASN A 738 29.935 -5.889 -9.928 1.00 91.91 H new ATOM 0 HB3 ASN A 738 28.484 -5.537 -9.480 1.00 91.91 H new ATOM 0 HD21 ASN A 738 28.724 -2.319 -10.240 1.00 95.21 H new ATOM 0 HD22 ASN A 738 27.854 -3.521 -10.105 1.00 95.21 H new ATOM 300 N PRO A 739 29.290 -7.935 -6.972 1.00 75.55 N ATOM 301 CA PRO A 739 28.256 -7.428 -6.091 1.00 74.28 C ATOM 302 C PRO A 739 28.784 -6.560 -4.925 1.00 63.44 C ATOM 303 O PRO A 739 29.984 -6.539 -4.626 1.00 59.32 O ATOM 304 CB PRO A 739 27.612 -8.714 -5.555 1.00 76.60 C ATOM 305 CG PRO A 739 28.736 -9.704 -5.522 1.00 75.89 C ATOM 306 CD PRO A 739 29.710 -9.303 -6.596 1.00 73.64 C ATOM 0 HA PRO A 739 27.652 -6.833 -6.562 1.00 74.28 H new ATOM 0 HB2 PRO A 739 27.233 -8.579 -4.672 1.00 76.60 H new ATOM 0 HB3 PRO A 739 26.891 -9.015 -6.130 1.00 76.60 H new ATOM 0 HG2 PRO A 739 29.166 -9.706 -4.653 1.00 75.89 H new ATOM 0 HG3 PRO A 739 28.406 -10.603 -5.677 1.00 75.89 H new ATOM 0 HD2 PRO A 739 30.623 -9.316 -6.270 1.00 73.64 H new ATOM 0 HD3 PRO A 739 29.671 -9.907 -7.354 1.00 73.64 H new ATOM 307 N TRP A 740 27.857 -5.833 -4.311 1.00 54.93 N ATOM 308 CA TRP A 740 28.077 -5.127 -3.049 1.00 48.39 C ATOM 309 C TRP A 740 27.211 -5.757 -1.963 1.00 43.11 C ATOM 310 O TRP A 740 26.055 -6.146 -2.197 1.00 42.96 O ATOM 311 CB TRP A 740 27.744 -3.639 -3.221 1.00 49.35 C ATOM 312 CG TRP A 740 27.937 -2.798 -1.962 1.00 46.03 C ATOM 313 CD1 TRP A 740 29.120 -2.438 -1.393 1.00 44.79 C ATOM 314 CD2 TRP A 740 26.906 -2.188 -1.171 1.00 40.15 C ATOM 315 NE1 TRP A 740 28.895 -1.640 -0.296 1.00 42.47 N ATOM 316 CE2 TRP A 740 27.547 -1.486 -0.121 1.00 39.25 C ATOM 317 CE3 TRP A 740 25.507 -2.161 -1.257 1.00 37.50 C ATOM 318 CZ2 TRP A 740 26.848 -0.780 0.843 1.00 37.48 C ATOM 319 CZ3 TRP A 740 24.800 -1.464 -0.304 1.00 38.77 C ATOM 320 CH2 TRP A 740 25.478 -0.766 0.743 1.00 39.03 C ATOM 0 H TRP A 740 27.062 -5.733 -4.623 1.00 54.93 H new ATOM 0 HA TRP A 740 29.008 -5.201 -2.787 1.00 48.39 H new ATOM 0 HB2 TRP A 740 28.299 -3.275 -3.928 1.00 49.35 H new ATOM 0 HB3 TRP A 740 26.823 -3.557 -3.513 1.00 49.35 H new ATOM 0 HD1 TRP A 740 29.959 -2.695 -1.702 1.00 44.79 H new ATOM 0 HE1 TRP A 740 29.505 -1.293 0.201 1.00 42.47 H new ATOM 0 HE3 TRP A 740 25.065 -2.605 -1.944 1.00 37.50 H new ATOM 0 HZ2 TRP A 740 27.288 -0.334 1.530 1.00 37.48 H new ATOM 0 HZ3 TRP A 740 23.871 -1.447 -0.342 1.00 38.77 H new ATOM 0 HH2 TRP A 740 24.981 -0.292 1.370 1.00 39.03 H new ATOM 321 N SER A 741 27.774 -5.874 -0.762 1.00 39.04 N ATOM 322 CA SER A 741 27.034 -6.327 0.413 1.00 34.41 C ATOM 323 C SER A 741 27.129 -5.202 1.489 1.00 30.16 C ATOM 324 O SER A 741 28.178 -4.696 1.768 1.00 25.70 O ATOM 325 CB SER A 741 27.609 -7.652 0.927 1.00 40.24 C ATOM 326 OG SER A 741 27.019 -8.778 0.256 1.00 44.64 O ATOM 0 H SER A 741 28.600 -5.692 -0.606 1.00 39.04 H new ATOM 0 HA SER A 741 26.103 -6.492 0.195 1.00 34.41 H new ATOM 0 HB2 SER A 741 28.570 -7.662 0.795 1.00 40.24 H new ATOM 0 HB3 SER A 741 27.453 -7.725 1.882 1.00 40.24 H new ATOM 0 HG SER A 741 26.247 -8.911 0.558 1.00 44.64 H new ATOM 327 N CYS A 742 25.999 -4.846 2.044 1.00 27.78 N ATOM 328 CA CYS A 742 25.842 -3.831 3.105 1.00 27.42 C ATOM 329 C CYS A 742 26.293 -4.385 4.458 1.00 23.67 C ATOM 330 O CYS A 742 26.450 -5.602 4.690 1.00 21.56 O ATOM 331 CB CYS A 742 24.325 -3.420 3.218 1.00 26.59 C ATOM 332 SG CYS A 742 23.206 -4.459 4.153 1.00 26.68 S ATOM 0 H CYS A 742 25.249 -5.198 1.813 1.00 27.78 H new ATOM 0 HA CYS A 742 26.388 -3.064 2.874 1.00 27.42 H new ATOM 0 HB2 CYS A 742 24.291 -2.532 3.606 1.00 26.59 H new ATOM 0 HB3 CYS A 742 23.974 -3.350 2.317 1.00 26.59 H new ATOM 333 N ILE A 743 26.535 -3.454 5.360 1.00 23.00 N ATOM 334 CA ILE A 743 26.928 -3.749 6.716 1.00 20.91 C ATOM 335 C ILE A 743 26.071 -4.748 7.485 1.00 23.16 C ATOM 336 O ILE A 743 26.626 -5.553 8.231 1.00 23.29 O ATOM 337 CB ILE A 743 27.090 -2.450 7.510 1.00 21.68 C ATOM 338 CG1 ILE A 743 27.842 -2.801 8.814 1.00 21.82 C ATOM 339 CG2 ILE A 743 25.742 -1.784 7.710 1.00 20.86 C ATOM 340 CD1 ILE A 743 28.594 -1.659 9.373 1.00 26.10 C ATOM 0 H ILE A 743 26.473 -2.612 5.194 1.00 23.00 H new ATOM 0 HA ILE A 743 27.775 -4.211 6.620 1.00 20.91 H new ATOM 0 HB ILE A 743 27.618 -1.789 7.035 1.00 21.68 H new ATOM 0 HG12 ILE A 743 27.205 -3.116 9.474 1.00 21.82 H new ATOM 0 HG13 ILE A 743 28.456 -3.532 8.641 1.00 21.82 H new ATOM 0 HG21 ILE A 743 25.858 -0.963 8.214 1.00 20.86 H new ATOM 0 HG22 ILE A 743 25.350 -1.580 6.846 1.00 20.86 H new ATOM 0 HG23 ILE A 743 25.155 -2.382 8.198 1.00 20.86 H new ATOM 0 HD11 ILE A 743 29.044 -1.935 10.187 1.00 26.10 H new ATOM 0 HD12 ILE A 743 29.251 -1.357 8.727 1.00 26.10 H new ATOM 0 HD13 ILE A 743 27.981 -0.934 9.573 1.00 26.10 H new ATOM 341 N PHE A 744 24.741 -4.771 7.273 1.00 23.70 N ATOM 342 CA PHE A 744 23.929 -5.791 7.882 1.00 24.88 C ATOM 343 C PHE A 744 24.365 -7.203 7.433 1.00 26.20 C ATOM 344 O PHE A 744 24.480 -8.141 8.255 1.00 26.83 O ATOM 345 CB PHE A 744 22.402 -5.615 7.607 1.00 25.27 C ATOM 346 CG PHE A 744 21.788 -4.415 8.222 1.00 23.53 C ATOM 347 CD1 PHE A 744 21.910 -3.177 7.627 1.00 23.81 C ATOM 348 CD2 PHE A 744 21.012 -4.538 9.355 1.00 24.05 C ATOM 349 CE1 PHE A 744 21.337 -2.058 8.232 1.00 25.22 C ATOM 350 CE2 PHE A 744 20.402 -3.441 9.940 1.00 25.08 C ATOM 351 CZ PHE A 744 20.549 -2.202 9.367 1.00 23.19 C ATOM 0 H PHE A 744 24.313 -4.207 6.785 1.00 23.70 H new ATOM 0 HA PHE A 744 24.070 -5.692 8.837 1.00 24.88 H new ATOM 0 HB2 PHE A 744 22.262 -5.577 6.648 1.00 25.27 H new ATOM 0 HB3 PHE A 744 21.936 -6.402 7.931 1.00 25.27 H new ATOM 0 HD1 PHE A 744 22.373 -3.088 6.825 1.00 23.81 H new ATOM 0 HD2 PHE A 744 20.895 -5.378 9.736 1.00 24.05 H new ATOM 0 HE1 PHE A 744 21.483 -1.212 7.874 1.00 25.22 H new ATOM 0 HE2 PHE A 744 19.897 -3.543 10.714 1.00 25.08 H new ATOM 0 HZ PHE A 744 20.123 -1.463 9.737 1.00 23.19 H new ATOM 352 N CYS A 745 24.571 -7.357 6.126 1.00 28.61 N ATOM 353 CA CYS A 745 25.044 -8.635 5.547 1.00 30.43 C ATOM 354 C CYS A 745 26.465 -8.989 6.037 1.00 30.21 C ATOM 355 O CYS A 745 26.751 -10.171 6.344 1.00 27.53 O ATOM 356 CB CYS A 745 25.021 -8.570 3.973 1.00 30.37 C ATOM 357 SG CYS A 745 23.328 -8.556 3.363 1.00 33.33 S ATOM 0 H CYS A 745 24.444 -6.734 5.547 1.00 28.61 H new ATOM 0 HA CYS A 745 24.439 -9.332 5.847 1.00 30.43 H new ATOM 0 HB2 CYS A 745 25.485 -7.774 3.671 1.00 30.37 H new ATOM 0 HB3 CYS A 745 25.496 -9.332 3.606 1.00 30.37 H new ATOM 358 N ARG A 746 27.356 -7.987 6.087 1.00 23.97 N ATOM 359 CA ARG A 746 28.704 -8.282 6.539 1.00 27.07 C ATOM 360 C ARG A 746 28.729 -8.728 7.993 1.00 27.00 C ATOM 361 O ARG A 746 29.505 -9.646 8.326 1.00 27.09 O ATOM 362 CB ARG A 746 29.653 -7.134 6.316 1.00 26.56 C ATOM 363 CG ARG A 746 29.754 -6.864 4.848 1.00 28.47 C ATOM 364 CD ARG A 746 30.394 -5.554 4.578 1.00 34.65 C ATOM 365 NE ARG A 746 31.790 -5.614 4.981 1.00 42.36 N ATOM 366 CZ ARG A 746 32.564 -4.546 5.164 1.00 50.78 C ATOM 367 NH1 ARG A 746 32.075 -3.301 4.940 1.00 58.38 N ATOM 368 NH2 ARG A 746 33.839 -4.723 5.549 1.00 44.58 N ATOM 0 H ARG A 746 27.202 -7.169 5.872 1.00 23.97 H new ATOM 0 HA ARG A 746 29.014 -9.021 5.993 1.00 27.07 H new ATOM 0 HB2 ARG A 746 29.338 -6.343 6.781 1.00 26.56 H new ATOM 0 HB3 ARG A 746 30.527 -7.347 6.679 1.00 26.56 H new ATOM 0 HG2 ARG A 746 30.267 -7.569 4.423 1.00 28.47 H new ATOM 0 HG3 ARG A 746 28.868 -6.880 4.453 1.00 28.47 H new ATOM 0 HD2 ARG A 746 30.327 -5.337 3.635 1.00 34.65 H new ATOM 0 HD3 ARG A 746 29.935 -4.851 5.064 1.00 34.65 H new ATOM 0 HE ARG A 746 32.138 -6.390 5.109 1.00 42.36 H new ATOM 0 HH11 ARG A 746 31.262 -3.199 4.679 1.00 58.38 H new ATOM 0 HH12 ARG A 746 32.578 -2.614 5.059 1.00 58.38 H new ATOM 0 HH21 ARG A 746 34.144 -5.517 5.674 1.00 44.58 H new ATOM 0 HH22 ARG A 746 34.350 -4.042 5.671 1.00 44.58 H new ATOM 369 N ILE A 747 27.861 -8.159 8.838 1.00 26.86 N ATOM 370 CA ILE A 747 27.768 -8.545 10.258 1.00 25.78 C ATOM 371 C ILE A 747 27.191 -9.985 10.372 1.00 28.33 C ATOM 372 O ILE A 747 27.662 -10.836 11.151 1.00 24.08 O ATOM 373 CB ILE A 747 26.948 -7.554 11.064 1.00 24.94 C ATOM 374 CG1 ILE A 747 27.660 -6.196 11.158 1.00 24.70 C ATOM 375 CG2 ILE A 747 26.694 -8.062 12.469 1.00 28.30 C ATOM 376 CD1 ILE A 747 28.888 -6.111 12.015 1.00 25.01 C ATOM 0 H ILE A 747 27.310 -7.540 8.607 1.00 26.86 H new ATOM 0 HA ILE A 747 28.661 -8.533 10.636 1.00 25.78 H new ATOM 0 HB ILE A 747 26.102 -7.449 10.601 1.00 24.94 H new ATOM 0 HG12 ILE A 747 27.904 -5.924 10.259 1.00 24.70 H new ATOM 0 HG13 ILE A 747 27.020 -5.546 11.488 1.00 24.70 H new ATOM 0 HG21 ILE A 747 26.169 -7.410 12.959 1.00 28.30 H new ATOM 0 HG22 ILE A 747 26.209 -8.901 12.427 1.00 28.30 H new ATOM 0 HG23 ILE A 747 27.541 -8.201 12.921 1.00 28.30 H new ATOM 0 HD11 ILE A 747 29.239 -5.207 11.989 1.00 25.01 H new ATOM 0 HD12 ILE A 747 28.662 -6.343 12.929 1.00 25.01 H new ATOM 0 HD13 ILE A 747 29.559 -6.727 11.682 1.00 25.01 H new ATOM 377 N LYS A 748 26.202 -10.266 9.574 1.00 31.42 N ATOM 378 CA LYS A 748 25.646 -11.624 9.561 1.00 35.71 C ATOM 379 C LYS A 748 26.716 -12.664 9.177 1.00 33.48 C ATOM 380 O LYS A 748 26.823 -13.693 9.820 1.00 34.66 O ATOM 381 CB LYS A 748 24.443 -11.710 8.636 1.00 39.06 C ATOM 382 CG LYS A 748 23.711 -13.046 8.717 1.00 48.38 C ATOM 383 CD LYS A 748 22.849 -13.339 7.483 1.00 62.52 C ATOM 384 CE LYS A 748 21.811 -12.257 7.225 1.00 70.47 C ATOM 385 NZ LYS A 748 20.840 -12.070 8.348 1.00 80.42 N ATOM 0 H LYS A 748 25.830 -9.710 9.034 1.00 31.42 H new ATOM 0 HA LYS A 748 25.347 -11.829 10.461 1.00 35.71 H new ATOM 0 HB2 LYS A 748 23.824 -10.996 8.854 1.00 39.06 H new ATOM 0 HB3 LYS A 748 24.735 -11.563 7.723 1.00 39.06 H new ATOM 0 HG2 LYS A 748 24.361 -13.758 8.827 1.00 48.38 H new ATOM 0 HG3 LYS A 748 23.148 -13.052 9.507 1.00 48.38 H new ATOM 0 HD2 LYS A 748 23.422 -13.425 6.705 1.00 62.52 H new ATOM 0 HD3 LYS A 748 22.401 -14.191 7.601 1.00 62.52 H new ATOM 0 HE2 LYS A 748 22.267 -11.417 7.059 1.00 70.47 H new ATOM 0 HE3 LYS A 748 21.320 -12.477 6.418 1.00 70.47 H new ATOM 0 HZ1 LYS A 748 20.262 -11.427 8.137 1.00 80.42 H new ATOM 0 HZ2 LYS A 748 20.399 -12.830 8.489 1.00 80.42 H new ATOM 0 HZ3 LYS A 748 21.281 -11.842 9.087 1.00 80.42 H new ATOM 386 N THR A 749 27.548 -12.374 8.188 1.00 33.94 N ATOM 387 CA THR A 749 28.581 -13.311 7.819 1.00 32.90 C ATOM 388 C THR A 749 29.581 -13.628 8.919 1.00 36.90 C ATOM 389 O THR A 749 30.020 -14.800 9.063 1.00 33.58 O ATOM 390 CB THR A 749 29.311 -12.796 6.590 1.00 35.13 C ATOM 391 OG1 THR A 749 28.356 -12.784 5.540 1.00 36.80 O ATOM 392 CG2 THR A 749 30.500 -13.684 6.190 1.00 33.27 C ATOM 0 H THR A 749 27.529 -11.649 7.726 1.00 33.94 H new ATOM 0 HA THR A 749 28.127 -14.149 7.636 1.00 32.90 H new ATOM 0 HB THR A 749 29.678 -11.917 6.775 1.00 35.13 H new ATOM 0 HG1 THR A 749 27.864 -12.107 5.616 1.00 36.80 H new ATOM 0 HG21 THR A 749 30.930 -13.314 5.404 1.00 33.27 H new ATOM 0 HG22 THR A 749 31.137 -13.720 6.920 1.00 33.27 H new ATOM 0 HG23 THR A 749 30.184 -14.580 5.993 1.00 33.27 H new ATOM 393 N ILE A 750 29.993 -12.600 9.657 1.00 34.86 N ATOM 394 CA ILE A 750 30.865 -12.777 10.820 1.00 34.73 C ATOM 395 C ILE A 750 30.272 -13.777 11.756 1.00 33.48 C ATOM 396 O ILE A 750 31.002 -14.665 12.178 1.00 38.15 O ATOM 397 CB ILE A 750 31.108 -11.500 11.676 1.00 38.48 C ATOM 398 CG1 ILE A 750 31.598 -10.314 10.872 1.00 42.63 C ATOM 399 CG2 ILE A 750 32.109 -11.769 12.791 1.00 40.91 C ATOM 400 CD1 ILE A 750 32.604 -10.634 9.809 1.00 43.63 C ATOM 0 H ILE A 750 29.777 -11.783 9.500 1.00 34.86 H new ATOM 0 HA ILE A 750 31.711 -13.051 10.433 1.00 34.73 H new ATOM 0 HB ILE A 750 30.239 -11.275 12.043 1.00 38.48 H new ATOM 0 HG12 ILE A 750 30.834 -9.886 10.455 1.00 42.63 H new ATOM 0 HG13 ILE A 750 31.987 -9.667 11.481 1.00 42.63 H new ATOM 0 HG21 ILE A 750 32.243 -10.959 13.308 1.00 40.91 H new ATOM 0 HG22 ILE A 750 31.769 -12.470 13.369 1.00 40.91 H new ATOM 0 HG23 ILE A 750 32.954 -12.050 12.407 1.00 40.91 H new ATOM 0 HD11 ILE A 750 32.859 -9.819 9.349 1.00 43.63 H new ATOM 0 HD12 ILE A 750 33.389 -11.034 10.216 1.00 43.63 H new ATOM 0 HD13 ILE A 750 32.217 -11.256 9.174 1.00 43.63 H new ATOM 401 N GLN A 751 28.990 -13.614 12.115 1.00 34.52 N ATOM 402 CA GLN A 751 28.305 -14.529 13.035 1.00 38.31 C ATOM 403 C GLN A 751 28.235 -15.957 12.531 1.00 38.65 C ATOM 404 O GLN A 751 28.368 -16.895 13.321 1.00 43.89 O ATOM 405 CB GLN A 751 26.868 -14.094 13.327 1.00 43.84 C ATOM 406 CG GLN A 751 26.765 -12.923 14.277 1.00 53.70 C ATOM 407 CD GLN A 751 25.418 -12.226 14.211 1.00 60.95 C ATOM 408 OE1 GLN A 751 24.415 -12.812 13.793 1.00 70.01 O ATOM 409 NE2 GLN A 751 25.391 -10.967 14.623 1.00 66.91 N ATOM 0 H GLN A 751 28.496 -12.970 11.831 1.00 34.52 H new ATOM 0 HA GLN A 751 28.847 -14.493 13.838 1.00 38.31 H new ATOM 0 HB2 GLN A 751 26.434 -13.861 12.492 1.00 43.84 H new ATOM 0 HB3 GLN A 751 26.381 -14.846 13.700 1.00 43.84 H new ATOM 0 HG2 GLN A 751 26.920 -13.233 15.183 1.00 53.70 H new ATOM 0 HG3 GLN A 751 27.465 -12.284 14.072 1.00 53.70 H new ATOM 0 HE21 GLN A 751 26.111 -10.592 14.908 1.00 66.91 H new ATOM 0 HE22 GLN A 751 24.654 -10.525 14.606 1.00 66.91 H new ATOM 410 N GLU A 752 27.971 -16.097 11.230 1.00 38.08 N ATOM 411 CA GLU A 752 27.870 -17.390 10.549 1.00 37.93 C ATOM 412 C GLU A 752 29.207 -18.128 10.410 1.00 37.29 C ATOM 413 O GLU A 752 29.279 -19.350 10.562 1.00 45.02 O ATOM 414 CB GLU A 752 27.210 -17.204 9.180 1.00 41.86 C ATOM 415 CG GLU A 752 25.709 -16.966 9.280 1.00 43.51 C ATOM 416 CD GLU A 752 25.081 -16.581 7.935 1.00 54.54 C ATOM 417 OE1 GLU A 752 25.822 -16.464 6.918 1.00 54.76 O ATOM 418 OE2 GLU A 752 23.831 -16.378 7.905 1.00 57.64 O ATOM 0 H GLU A 752 27.843 -15.427 10.707 1.00 38.08 H new ATOM 0 HA GLU A 752 27.318 -17.956 11.112 1.00 37.93 H new ATOM 0 HB2 GLU A 752 27.623 -16.454 8.725 1.00 41.86 H new ATOM 0 HB3 GLU A 752 27.374 -17.991 8.636 1.00 41.86 H new ATOM 0 HG2 GLU A 752 25.280 -17.768 9.616 1.00 43.51 H new ATOM 0 HG3 GLU A 752 25.539 -16.262 9.926 1.00 43.51 H new ATOM 419 N ARG A 753 30.273 -17.398 10.174 1.00 37.93 N ATOM 420 CA ARG A 753 31.606 -17.970 10.229 1.00 40.85 C ATOM 421 C ARG A 753 32.046 -18.413 11.627 1.00 44.14 C ATOM 422 O ARG A 753 32.865 -19.325 11.699 1.00 54.44 O ATOM 423 CB ARG A 753 32.652 -17.027 9.637 1.00 40.50 C ATOM 424 CG ARG A 753 32.516 -16.935 8.113 1.00 48.01 C ATOM 425 CD ARG A 753 33.546 -16.010 7.433 1.00 51.72 C ATOM 426 NE ARG A 753 33.533 -16.241 5.988 1.00 53.09 N ATOM 427 CZ ARG A 753 33.850 -15.353 5.052 1.00 58.24 C ATOM 428 NH1 ARG A 753 34.248 -14.109 5.361 1.00 58.88 N ATOM 429 NH2 ARG A 753 33.755 -15.717 3.775 1.00 60.19 N ATOM 0 H ARG A 753 30.251 -16.561 9.978 1.00 37.93 H new ATOM 0 HA ARG A 753 31.546 -18.772 9.687 1.00 40.85 H new ATOM 0 HB2 ARG A 753 32.553 -16.144 10.027 1.00 40.50 H new ATOM 0 HB3 ARG A 753 33.541 -17.341 9.867 1.00 40.50 H new ATOM 0 HG2 ARG A 753 32.601 -17.825 7.738 1.00 48.01 H new ATOM 0 HG3 ARG A 753 31.624 -16.620 7.898 1.00 48.01 H new ATOM 0 HD2 ARG A 753 33.337 -15.082 7.624 1.00 51.72 H new ATOM 0 HD3 ARG A 753 34.432 -16.180 7.789 1.00 51.72 H new ATOM 0 HE ARG A 753 33.299 -17.024 5.720 1.00 53.09 H new ATOM 0 HH11 ARG A 753 34.304 -13.867 6.184 1.00 58.88 H new ATOM 0 HH12 ARG A 753 34.447 -13.554 4.735 1.00 58.88 H new ATOM 0 HH21 ARG A 753 33.493 -16.511 3.572 1.00 60.19 H new ATOM 0 HH22 ARG A 753 33.955 -15.158 3.153 1.00 60.19 H new ATOM 430 N CYS A 754 31.545 -17.797 12.708 1.00 36.28 N ATOM 431 CA ACYS A 754 31.988 -18.125 14.066 0.55 37.95 C ATOM 432 CA BCYS A 754 32.011 -18.092 14.081 0.45 33.39 C ATOM 433 C CYS A 754 30.801 -18.096 15.019 1.00 34.31 C ATOM 434 O CYS A 754 30.609 -17.129 15.777 1.00 29.70 O ATOM 435 CB ACYS A 754 33.095 -17.176 14.487 0.55 43.15 C ATOM 436 CB BCYS A 754 33.061 -17.047 14.528 0.45 33.02 C ATOM 437 SG ACYS A 754 34.624 -17.585 13.618 0.55 56.36 S ATOM 438 SG BCYS A 754 33.902 -17.328 16.127 0.45 29.93 S ATOM 0 H ACYS A 754 30.944 -17.183 12.672 0.55 36.28 H new ATOM 0 H BCYS A 754 30.928 -17.199 12.670 0.45 36.28 H new ATOM 0 HA ACYS A 754 32.353 -19.023 14.090 0.55 33.39 H new ATOM 0 HA BCYS A 754 32.437 -18.963 14.107 0.45 33.39 H new ATOM 0 HB2ACYS A 754 32.838 -16.261 14.292 0.55 33.02 H new ATOM 0 HB2BCYS A 754 33.740 -16.991 13.838 0.45 33.02 H new ATOM 0 HB3ACYS A 754 33.234 -17.234 15.445 0.55 33.02 H new ATOM 0 HB3BCYS A 754 32.625 -16.182 14.567 0.45 33.02 H new ATOM 0 HG ACYS A 754 34.402 -18.425 12.790 0.55 29.93 H new ATOM 0 HG BCYS A 754 34.682 -16.439 16.331 0.45 29.93 H new ATOM 439 N PRO A 755 29.963 -19.178 14.977 1.00 31.78 N ATOM 440 CA PRO A 755 28.731 -19.208 15.775 1.00 33.35 C ATOM 441 C PRO A 755 28.947 -18.988 17.281 1.00 34.05 C ATOM 442 O PRO A 755 28.085 -18.398 17.941 1.00 34.79 O ATOM 443 CB PRO A 755 28.155 -20.625 15.527 1.00 36.54 C ATOM 444 CG PRO A 755 28.734 -21.036 14.204 1.00 35.06 C ATOM 445 CD PRO A 755 30.096 -20.391 14.118 1.00 34.08 C ATOM 0 HA PRO A 755 28.144 -18.483 15.508 1.00 33.35 H new ATOM 0 HB2 PRO A 755 28.412 -21.240 16.232 1.00 36.54 H new ATOM 0 HB3 PRO A 755 27.185 -20.613 15.501 1.00 36.54 H new ATOM 0 HG2 PRO A 755 28.804 -22.001 14.142 1.00 35.06 H new ATOM 0 HG3 PRO A 755 28.167 -20.745 13.473 1.00 35.06 H new ATOM 0 HD2 PRO A 755 30.793 -20.983 14.442 1.00 34.08 H new ATOM 0 HD3 PRO A 755 30.324 -20.158 13.204 1.00 34.08 H new ATOM 446 N GLU A 756 30.101 -19.405 17.787 1.00 31.33 N ATOM 447 CA GLU A 756 30.441 -19.233 19.183 1.00 32.78 C ATOM 448 C GLU A 756 30.661 -17.753 19.516 1.00 30.98 C ATOM 449 O GLU A 756 30.665 -17.384 20.700 1.00 26.05 O ATOM 450 CB GLU A 756 31.679 -20.072 19.528 1.00 37.20 C ATOM 451 CG GLU A 756 32.983 -19.640 18.834 1.00 52.88 C ATOM 452 CD GLU A 756 33.309 -20.285 17.436 1.00 65.37 C ATOM 453 OE1 GLU A 756 32.409 -20.536 16.576 1.00 60.80 O ATOM 454 OE2 GLU A 756 34.521 -20.511 17.154 1.00 80.27 O ATOM 0 H GLU A 756 30.710 -19.798 17.323 1.00 31.33 H new ATOM 0 HA GLU A 756 29.699 -19.544 19.725 1.00 32.78 H new ATOM 0 HB2 GLU A 756 31.815 -20.040 20.488 1.00 37.20 H new ATOM 0 HB3 GLU A 756 31.499 -20.997 19.298 1.00 37.20 H new ATOM 0 HG2 GLU A 756 32.957 -18.677 18.721 1.00 52.88 H new ATOM 0 HG3 GLU A 756 33.720 -19.836 19.433 1.00 52.88 H new ATOM 455 N SER A 757 30.862 -16.894 18.478 1.00 28.12 N ATOM 456 CA SER A 757 30.924 -15.432 18.708 1.00 29.07 C ATOM 457 C SER A 757 29.616 -14.920 19.395 1.00 28.80 C ATOM 458 O SER A 757 29.610 -13.912 20.001 1.00 29.56 O ATOM 459 CB SER A 757 31.178 -14.689 17.381 1.00 29.09 C ATOM 460 OG SER A 757 29.991 -14.712 16.567 1.00 30.97 O ATOM 0 H SER A 757 30.961 -17.136 17.659 1.00 28.12 H new ATOM 0 HA SER A 757 31.665 -15.248 19.306 1.00 29.07 H new ATOM 0 HB2 SER A 757 31.438 -13.772 17.560 1.00 29.09 H new ATOM 0 HB3 SER A 757 31.914 -15.105 16.905 1.00 29.09 H new ATOM 0 HG SER A 757 29.948 -15.442 16.154 1.00 30.97 H new ATOM 461 N GLN A 758 28.509 -15.646 19.323 1.00 26.67 N ATOM 462 CA GLN A 758 27.288 -15.231 19.985 1.00 29.09 C ATOM 463 C GLN A 758 27.116 -15.683 21.436 1.00 23.65 C ATOM 464 O GLN A 758 26.106 -15.329 22.060 1.00 22.95 O ATOM 465 CB GLN A 758 26.069 -15.721 19.184 1.00 35.18 C ATOM 466 CG GLN A 758 26.012 -15.278 17.713 1.00 47.32 C ATOM 467 CD GLN A 758 24.962 -16.109 16.972 1.00 62.95 C ATOM 468 OE1 GLN A 758 25.277 -17.182 16.394 1.00 71.35 O ATOM 469 NE2 GLN A 758 23.691 -15.692 17.086 1.00 65.34 N ATOM 0 H GLN A 758 28.447 -16.387 18.892 1.00 26.67 H new ATOM 0 HA GLN A 758 27.355 -14.264 20.016 1.00 29.09 H new ATOM 0 HB2 GLN A 758 26.053 -16.690 19.213 1.00 35.18 H new ATOM 0 HB3 GLN A 758 25.265 -15.410 19.629 1.00 35.18 H new ATOM 0 HG2 GLN A 758 25.791 -14.335 17.657 1.00 47.32 H new ATOM 0 HG3 GLN A 758 26.881 -15.391 17.297 1.00 47.32 H new ATOM 0 HE21 GLN A 758 23.516 -14.952 17.488 1.00 65.34 H new ATOM 0 HE22 GLN A 758 23.052 -16.164 16.757 1.00 65.34 H new ATOM 470 N SER A 759 28.050 -16.475 21.971 1.00 20.55 N ATOM 471 CA SER A 759 28.006 -16.829 23.387 1.00 18.85 C ATOM 472 C SER A 759 28.281 -15.561 24.198 1.00 23.05 C ATOM 473 O SER A 759 28.992 -14.656 23.734 1.00 25.89 O ATOM 474 CB SER A 759 29.010 -17.912 23.737 1.00 19.53 C ATOM 475 OG SER A 759 28.625 -19.131 23.075 1.00 18.69 O ATOM 0 H SER A 759 28.709 -16.813 21.534 1.00 20.55 H new ATOM 0 HA SER A 759 27.130 -17.188 23.597 1.00 18.85 H new ATOM 0 HB2 SER A 759 29.901 -17.646 23.461 1.00 19.53 H new ATOM 0 HB3 SER A 759 29.039 -18.046 24.697 1.00 19.53 H new ATOM 0 HG SER A 759 29.222 -19.711 23.186 1.00 18.69 H new ATOM 476 N GLY A 760 27.739 -15.509 25.399 1.00 22.98 N ATOM 477 CA GLY A 760 27.810 -14.275 26.231 1.00 23.27 C ATOM 478 C GLY A 760 29.214 -13.848 26.567 1.00 25.67 C ATOM 479 O GLY A 760 30.104 -14.712 26.744 1.00 22.57 O ATOM 0 H GLY A 760 27.322 -16.165 25.768 1.00 22.98 H new ATOM 0 HA2 GLY A 760 27.365 -13.552 25.761 1.00 23.27 H new ATOM 0 HA3 GLY A 760 27.320 -14.422 27.055 1.00 23.27 H new ATOM 480 N HIS A 761 29.427 -12.522 26.632 1.00 23.01 N ATOM 481 CA HIS A 761 30.710 -11.922 26.958 1.00 24.50 C ATOM 482 C HIS A 761 30.542 -10.927 28.058 1.00 25.18 C ATOM 483 O HIS A 761 29.434 -10.455 28.316 1.00 23.17 O ATOM 484 CB HIS A 761 31.309 -11.155 25.794 1.00 24.72 C ATOM 485 CG HIS A 761 31.582 -11.990 24.614 1.00 29.00 C ATOM 486 ND1 HIS A 761 30.603 -12.319 23.715 1.00 31.80 N ATOM 487 CD2 HIS A 761 32.712 -12.591 24.191 1.00 30.91 C ATOM 488 CE1 HIS A 761 31.125 -13.057 22.760 1.00 32.54 C ATOM 489 NE2 HIS A 761 32.401 -13.245 23.028 1.00 33.35 N ATOM 0 H HIS A 761 28.809 -11.943 26.483 1.00 23.01 H new ATOM 0 HA HIS A 761 31.292 -12.658 27.205 1.00 24.50 H new ATOM 0 HB2 HIS A 761 30.703 -10.441 25.542 1.00 24.72 H new ATOM 0 HB3 HIS A 761 32.135 -10.737 26.083 1.00 24.72 H new ATOM 0 HD1 HIS A 761 29.778 -12.081 23.767 1.00 31.80 H new ATOM 0 HD2 HIS A 761 33.543 -12.566 24.608 1.00 30.91 H new ATOM 0 HE1 HIS A 761 30.670 -13.390 22.020 1.00 32.54 H new ATOM 490 N GLN A 762 31.652 -10.641 28.735 1.00 24.08 N ATOM 491 CA GLN A 762 31.686 -9.594 29.773 1.00 26.19 C ATOM 492 C GLN A 762 32.020 -8.256 29.105 1.00 21.11 C ATOM 493 O GLN A 762 32.889 -8.205 28.269 1.00 21.54 O ATOM 494 CB GLN A 762 32.747 -9.897 30.827 1.00 28.29 C ATOM 495 CG GLN A 762 32.489 -11.162 31.658 1.00 34.34 C ATOM 496 CD GLN A 762 31.224 -11.091 32.511 1.00 42.20 C ATOM 497 OE1 GLN A 762 30.236 -11.807 32.264 1.00 45.52 O ATOM 498 NE2 GLN A 762 31.237 -10.225 33.514 1.00 44.15 N ATOM 0 H GLN A 762 32.403 -11.041 28.612 1.00 24.08 H new ATOM 0 HA GLN A 762 30.820 -9.560 30.210 1.00 26.19 H new ATOM 0 HB2 GLN A 762 33.606 -9.985 30.386 1.00 28.29 H new ATOM 0 HB3 GLN A 762 32.813 -9.139 31.428 1.00 28.29 H new ATOM 0 HG2 GLN A 762 32.424 -11.924 31.061 1.00 34.34 H new ATOM 0 HG3 GLN A 762 33.251 -11.320 32.237 1.00 34.34 H new ATOM 0 HE21 GLN A 762 31.936 -9.745 33.658 1.00 44.15 H new ATOM 0 HE22 GLN A 762 30.547 -10.143 34.021 1.00 44.15 H new ATOM 499 N GLU A 763 31.313 -7.214 29.496 1.00 23.23 N ATOM 500 CA GLU A 763 31.498 -5.887 28.885 1.00 22.76 C ATOM 501 C GLU A 763 32.944 -5.452 29.034 1.00 22.54 C ATOM 502 O GLU A 763 33.505 -4.918 28.117 1.00 19.35 O ATOM 503 CB GLU A 763 30.579 -4.832 29.508 1.00 25.83 C ATOM 504 CG GLU A 763 30.839 -3.435 28.923 1.00 25.63 C ATOM 505 CD GLU A 763 29.900 -2.383 29.421 1.00 29.22 C ATOM 506 OE1 GLU A 763 28.701 -2.636 29.462 1.00 27.49 O ATOM 507 OE2 GLU A 763 30.352 -1.285 29.727 1.00 30.53 O ATOM 0 H GLU A 763 30.716 -7.242 30.115 1.00 23.23 H new ATOM 0 HA GLU A 763 31.266 -5.963 27.946 1.00 22.76 H new ATOM 0 HB2 GLU A 763 29.653 -5.079 29.357 1.00 25.83 H new ATOM 0 HB3 GLU A 763 30.714 -4.811 30.468 1.00 25.83 H new ATOM 0 HG2 GLU A 763 31.748 -3.170 29.134 1.00 25.63 H new ATOM 0 HG3 GLU A 763 30.774 -3.482 27.956 1.00 25.63 H new ATOM 508 N SER A 764 33.555 -5.751 30.203 1.00 21.90 N ATOM 509 CA SER A 764 34.930 -5.348 30.467 1.00 23.18 C ATOM 510 C SER A 764 35.899 -5.943 29.474 1.00 23.46 C ATOM 511 O SER A 764 36.823 -5.250 29.073 1.00 25.33 O ATOM 512 CB SER A 764 35.324 -5.634 31.951 1.00 27.39 C ATOM 513 OG SER A 764 35.095 -7.008 32.258 1.00 27.48 O ATOM 0 H SER A 764 33.181 -6.185 30.845 1.00 21.90 H new ATOM 0 HA SER A 764 34.986 -4.388 30.342 1.00 23.18 H new ATOM 0 HB2 SER A 764 36.258 -5.414 32.094 1.00 27.39 H new ATOM 0 HB3 SER A 764 34.805 -5.071 32.546 1.00 27.39 H new ATOM 0 HG SER A 764 34.279 -7.127 32.418 1.00 27.48 H new ATOM 514 N GLU A 765 35.696 -7.202 29.039 1.00 20.31 N ATOM 515 CA GLU A 765 36.542 -7.835 28.061 1.00 23.59 C ATOM 516 C GLU A 765 36.344 -7.218 26.661 1.00 21.51 C ATOM 517 O GLU A 765 37.294 -7.005 25.916 1.00 19.01 O ATOM 518 CB GLU A 765 36.207 -9.363 27.986 1.00 25.98 C ATOM 519 CG GLU A 765 37.004 -10.134 26.925 1.00 30.77 C ATOM 520 CD GLU A 765 36.315 -10.280 25.535 1.00 32.57 C ATOM 521 OE1 GLU A 765 35.064 -10.492 25.456 1.00 33.28 O ATOM 522 OE2 GLU A 765 37.052 -10.179 24.519 1.00 30.36 O ATOM 0 H GLU A 765 35.053 -7.701 29.317 1.00 20.31 H new ATOM 0 HA GLU A 765 37.463 -7.700 28.334 1.00 23.59 H new ATOM 0 HB2 GLU A 765 36.374 -9.763 28.854 1.00 25.98 H new ATOM 0 HB3 GLU A 765 35.260 -9.467 27.803 1.00 25.98 H new ATOM 0 HG2 GLU A 765 37.857 -9.690 26.799 1.00 30.77 H new ATOM 0 HG3 GLU A 765 37.194 -11.021 27.268 1.00 30.77 H new ATOM 523 N VAL A 766 35.091 -6.979 26.316 1.00 19.16 N ATOM 524 CA VAL A 766 34.751 -6.402 24.988 1.00 19.56 C ATOM 525 C VAL A 766 35.422 -5.026 24.828 1.00 17.31 C ATOM 526 O VAL A 766 36.003 -4.740 23.790 1.00 19.50 O ATOM 527 CB VAL A 766 33.215 -6.271 24.865 1.00 21.62 C ATOM 528 CG1 VAL A 766 32.769 -5.404 23.659 1.00 23.26 C ATOM 529 CG2 VAL A 766 32.602 -7.664 24.777 1.00 22.91 C ATOM 0 H VAL A 766 34.413 -7.137 26.821 1.00 19.16 H new ATOM 0 HA VAL A 766 35.076 -6.987 24.286 1.00 19.56 H new ATOM 0 HB VAL A 766 32.897 -5.810 25.657 1.00 21.62 H new ATOM 0 HG11 VAL A 766 31.800 -5.358 23.634 1.00 23.26 H new ATOM 0 HG12 VAL A 766 33.132 -4.509 23.752 1.00 23.26 H new ATOM 0 HG13 VAL A 766 33.095 -5.801 22.836 1.00 23.26 H new ATOM 0 HG21 VAL A 766 31.638 -7.589 24.700 1.00 22.91 H new ATOM 0 HG22 VAL A 766 32.954 -8.124 23.999 1.00 22.91 H new ATOM 0 HG23 VAL A 766 32.824 -8.166 25.577 1.00 22.91 H new ATOM 530 N LEU A 767 35.377 -4.195 25.859 1.00 17.80 N ATOM 531 CA LEU A 767 35.910 -2.819 25.759 1.00 19.48 C ATOM 532 C LEU A 767 37.409 -2.805 25.532 1.00 21.26 C ATOM 533 O LEU A 767 37.946 -1.896 24.859 1.00 18.97 O ATOM 534 CB LEU A 767 35.493 -1.968 26.978 1.00 20.18 C ATOM 535 CG LEU A 767 33.977 -1.762 27.163 1.00 24.45 C ATOM 536 CD1 LEU A 767 33.699 -0.909 28.389 1.00 25.70 C ATOM 537 CD2 LEU A 767 33.384 -1.071 25.951 1.00 26.21 C ATOM 0 H LEU A 767 35.046 -4.396 26.627 1.00 17.80 H new ATOM 0 HA LEU A 767 35.513 -2.409 24.975 1.00 19.48 H new ATOM 0 HB2 LEU A 767 35.846 -2.386 27.779 1.00 20.18 H new ATOM 0 HB3 LEU A 767 35.914 -1.097 26.903 1.00 20.18 H new ATOM 0 HG LEU A 767 33.572 -2.636 27.274 1.00 24.45 H new ATOM 0 HD11 LEU A 767 32.742 -0.790 28.490 1.00 25.70 H new ATOM 0 HD12 LEU A 767 34.055 -1.349 29.177 1.00 25.70 H new ATOM 0 HD13 LEU A 767 34.123 -0.043 28.284 1.00 25.70 H new ATOM 0 HD21 LEU A 767 32.431 -0.949 26.082 1.00 26.21 H new ATOM 0 HD22 LEU A 767 33.807 -0.206 25.832 1.00 26.21 H new ATOM 0 HD23 LEU A 767 33.534 -1.615 25.162 1.00 26.21 H new ATOM 538 N MET A 768 38.133 -3.796 26.104 1.00 22.74 N ATOM 539 CA MET A 768 39.602 -3.876 25.926 1.00 21.99 C ATOM 540 C MET A 768 40.046 -4.423 24.593 1.00 24.18 C ATOM 541 O MET A 768 41.246 -4.325 24.234 1.00 22.48 O ATOM 542 CB MET A 768 40.230 -4.685 27.056 1.00 27.86 C ATOM 543 CG MET A 768 40.199 -3.945 28.358 1.00 32.67 C ATOM 544 SD MET A 768 40.680 -2.183 28.289 1.00 54.32 S ATOM 545 CE MET A 768 42.390 -2.188 27.729 1.00 43.41 C ATOM 0 H MET A 768 37.797 -4.421 26.590 1.00 22.74 H new ATOM 0 HA MET A 768 39.914 -2.958 25.951 1.00 21.99 H new ATOM 0 HB2 MET A 768 39.758 -5.527 27.152 1.00 27.86 H new ATOM 0 HB3 MET A 768 41.148 -4.899 26.828 1.00 27.86 H new ATOM 0 HG2 MET A 768 39.302 -4.003 28.721 1.00 32.67 H new ATOM 0 HG3 MET A 768 40.787 -4.398 28.982 1.00 32.67 H new ATOM 0 HE1 MET A 768 42.689 -1.275 27.593 1.00 43.41 H new ATOM 0 HE2 MET A 768 42.948 -2.614 28.398 1.00 43.41 H new ATOM 0 HE3 MET A 768 42.456 -2.677 26.894 1.00 43.41 H new ATOM 546 N ARG A 769 39.101 -4.911 23.786 1.00 20.01 N ATOM 547 CA ARG A 769 39.497 -5.391 22.493 1.00 21.36 C ATOM 548 C ARG A 769 40.088 -4.313 21.607 1.00 25.13 C ATOM 549 O ARG A 769 39.555 -3.222 21.516 1.00 20.97 O ATOM 550 CB ARG A 769 38.368 -6.047 21.769 1.00 19.47 C ATOM 551 CG ARG A 769 37.836 -7.238 22.463 1.00 23.17 C ATOM 552 CD ARG A 769 36.734 -7.773 21.620 1.00 24.43 C ATOM 553 NE ARG A 769 36.035 -8.796 22.314 1.00 28.43 N ATOM 554 CZ ARG A 769 34.835 -9.257 21.962 1.00 28.23 C ATOM 555 NH1 ARG A 769 34.162 -8.729 20.945 1.00 29.02 N ATOM 556 NH2 ARG A 769 34.303 -10.223 22.656 1.00 29.52 N ATOM 0 H ARG A 769 38.263 -4.966 23.970 1.00 20.01 H new ATOM 0 HA ARG A 769 40.190 -6.045 22.675 1.00 21.36 H new ATOM 0 HB2 ARG A 769 37.652 -5.404 21.651 1.00 19.47 H new ATOM 0 HB3 ARG A 769 38.667 -6.305 20.883 1.00 19.47 H new ATOM 0 HG2 ARG A 769 38.531 -7.904 22.584 1.00 23.17 H new ATOM 0 HG3 ARG A 769 37.510 -7.004 23.346 1.00 23.17 H new ATOM 0 HD2 ARG A 769 36.123 -7.058 21.384 1.00 24.43 H new ATOM 0 HD3 ARG A 769 37.094 -8.124 20.791 1.00 24.43 H new ATOM 0 HE ARG A 769 36.411 -9.141 23.007 1.00 28.43 H new ATOM 0 HH11 ARG A 769 34.500 -8.076 20.499 1.00 29.02 H new ATOM 0 HH12 ARG A 769 33.389 -9.040 20.733 1.00 29.02 H new ATOM 0 HH21 ARG A 769 34.726 -10.552 23.329 1.00 29.52 H new ATOM 0 HH22 ARG A 769 33.529 -10.531 22.441 1.00 29.52 H new ATOM 557 N GLN A 770 41.169 -4.668 20.923 1.00 22.17 N ATOM 558 CA GLN A 770 41.744 -3.821 19.923 1.00 24.26 C ATOM 559 C GLN A 770 40.848 -3.685 18.685 1.00 21.86 C ATOM 560 O GLN A 770 40.155 -4.648 18.259 1.00 19.10 O ATOM 561 CB GLN A 770 43.126 -4.345 19.498 1.00 24.36 C ATOM 562 CG GLN A 770 44.117 -4.224 20.645 1.00 30.13 C ATOM 563 CD GLN A 770 45.490 -4.803 20.310 1.00 37.43 C ATOM 564 OE1 GLN A 770 45.845 -5.014 19.147 1.00 43.48 O ATOM 565 NE2 GLN A 770 46.255 -5.096 21.348 1.00 41.63 N ATOM 0 H GLN A 770 41.583 -5.413 21.035 1.00 22.17 H new ATOM 0 HA GLN A 770 41.835 -2.942 20.323 1.00 24.26 H new ATOM 0 HB2 GLN A 770 43.055 -5.272 19.221 1.00 24.36 H new ATOM 0 HB3 GLN A 770 43.447 -3.844 18.732 1.00 24.36 H new ATOM 0 HG2 GLN A 770 44.215 -3.289 20.884 1.00 30.13 H new ATOM 0 HG3 GLN A 770 43.760 -4.680 21.424 1.00 30.13 H new ATOM 0 HE21 GLN A 770 45.977 -4.936 22.146 1.00 41.63 H new ATOM 0 HE22 GLN A 770 47.031 -5.447 21.225 1.00 41.63 H new ATOM 566 N MET A 771 40.907 -2.512 18.084 1.00 18.77 N ATOM 567 CA MET A 771 40.105 -2.266 16.876 1.00 21.88 C ATOM 568 C MET A 771 40.612 -2.927 15.590 1.00 21.71 C ATOM 569 O MET A 771 40.909 -2.268 14.579 1.00 23.30 O ATOM 570 CB MET A 771 39.782 -0.782 16.683 1.00 20.30 C ATOM 571 CG MET A 771 38.941 -0.262 17.755 1.00 25.42 C ATOM 572 SD MET A 771 37.142 -0.560 17.458 1.00 25.12 S ATOM 573 CE MET A 771 36.763 0.992 16.691 1.00 27.72 C ATOM 0 H MET A 771 41.391 -1.850 18.344 1.00 18.77 H new ATOM 0 HA MET A 771 39.272 -2.730 17.056 1.00 21.88 H new ATOM 0 HB2 MET A 771 40.608 -0.274 16.646 1.00 20.30 H new ATOM 0 HB3 MET A 771 39.334 -0.657 15.832 1.00 20.30 H new ATOM 0 HG2 MET A 771 39.199 -0.676 18.593 1.00 25.42 H new ATOM 0 HG3 MET A 771 39.096 0.691 17.849 1.00 25.42 H new ATOM 0 HE1 MET A 771 35.909 0.928 16.235 1.00 27.72 H new ATOM 0 HE2 MET A 771 36.716 1.685 17.368 1.00 27.72 H new ATOM 0 HE3 MET A 771 37.456 1.214 16.049 1.00 27.72 H new ATOM 574 N LEU A 772 40.661 -4.268 15.602 1.00 23.14 N ATOM 575 CA LEU A 772 40.964 -5.005 14.392 1.00 23.48 C ATOM 576 C LEU A 772 39.745 -4.906 13.455 1.00 23.53 C ATOM 577 O LEU A 772 38.648 -4.559 13.927 1.00 24.42 O ATOM 578 CB LEU A 772 41.235 -6.450 14.754 1.00 24.34 C ATOM 579 CG LEU A 772 42.466 -6.801 15.588 1.00 28.28 C ATOM 580 CD1 LEU A 772 42.410 -8.293 15.995 1.00 29.09 C ATOM 581 CD2 LEU A 772 43.657 -6.571 14.705 1.00 28.86 C ATOM 0 H LEU A 772 40.522 -4.754 16.297 1.00 23.14 H new ATOM 0 HA LEU A 772 41.746 -4.642 13.948 1.00 23.48 H new ATOM 0 HB2 LEU A 772 40.458 -6.780 15.231 1.00 24.34 H new ATOM 0 HB3 LEU A 772 41.293 -6.951 13.925 1.00 24.34 H new ATOM 0 HG LEU A 772 42.511 -6.263 16.394 1.00 28.28 H new ATOM 0 HD11 LEU A 772 43.192 -8.514 16.524 1.00 29.09 H new ATOM 0 HD12 LEU A 772 41.610 -8.456 16.518 1.00 29.09 H new ATOM 0 HD13 LEU A 772 42.393 -8.846 15.198 1.00 29.09 H new ATOM 0 HD21 LEU A 772 44.468 -6.782 15.194 1.00 28.86 H new ATOM 0 HD22 LEU A 772 43.595 -7.140 13.922 1.00 28.86 H new ATOM 0 HD23 LEU A 772 43.680 -5.642 14.427 1.00 28.86 H new ATOM 582 N PRO A 773 39.894 -5.264 12.153 1.00 24.67 N ATOM 583 CA PRO A 773 38.811 -5.107 11.201 1.00 23.97 C ATOM 584 C PRO A 773 37.382 -5.513 11.653 1.00 24.85 C ATOM 585 O PRO A 773 36.428 -4.814 11.334 1.00 22.75 O ATOM 586 CB PRO A 773 39.260 -5.988 10.034 1.00 23.15 C ATOM 587 CG PRO A 773 40.719 -5.896 10.040 1.00 23.20 C ATOM 588 CD PRO A 773 41.105 -5.790 11.480 1.00 25.16 C ATOM 0 HA PRO A 773 38.691 -4.162 11.017 1.00 23.97 H new ATOM 0 HB2 PRO A 773 38.964 -6.904 10.150 1.00 23.15 H new ATOM 0 HB3 PRO A 773 38.891 -5.675 9.194 1.00 23.15 H new ATOM 0 HG2 PRO A 773 41.120 -6.677 9.627 1.00 23.20 H new ATOM 0 HG3 PRO A 773 41.022 -5.123 9.539 1.00 23.20 H new ATOM 0 HD2 PRO A 773 41.363 -6.653 11.841 1.00 25.16 H new ATOM 0 HD3 PRO A 773 41.862 -5.195 11.600 1.00 25.16 H new ATOM 589 N GLU A 774 37.267 -6.622 12.375 1.00 24.64 N ATOM 590 CA AGLU A 774 35.991 -7.136 12.845 0.49 26.96 C ATOM 591 CA BGLU A 774 35.963 -7.096 12.805 0.51 26.30 C ATOM 592 C GLU A 774 35.338 -6.267 13.926 1.00 25.32 C ATOM 593 O GLU A 774 34.119 -6.058 13.917 1.00 19.79 O ATOM 594 CB AGLU A 774 36.181 -8.561 13.391 0.49 29.04 C ATOM 595 CB BGLU A 774 36.008 -8.605 13.133 0.51 27.58 C ATOM 596 CG AGLU A 774 34.893 -9.227 13.816 0.49 32.69 C ATOM 597 CG BGLU A 774 36.096 -9.380 11.837 0.51 29.84 C ATOM 598 CD AGLU A 774 35.123 -10.646 14.270 0.49 36.53 C ATOM 599 CD BGLU A 774 35.936 -10.885 11.969 0.51 32.89 C ATOM 600 OE1AGLU A 774 35.500 -11.490 13.425 0.49 37.24 O ATOM 601 OE1BGLU A 774 35.865 -11.416 13.101 0.51 31.84 O ATOM 602 OE2AGLU A 774 34.939 -10.883 15.481 0.49 38.82 O ATOM 603 OE2BGLU A 774 35.874 -11.523 10.887 0.51 34.85 O ATOM 0 H AGLU A 774 37.940 -7.103 12.608 0.49 24.64 H new ATOM 0 H BGLU A 774 37.929 -7.111 12.624 0.51 24.64 H new ATOM 0 HA AGLU A 774 35.394 -7.130 12.080 0.49 26.30 H new ATOM 0 HA BGLU A 774 35.364 -6.971 12.053 0.51 26.30 H new ATOM 0 HB2AGLU A 774 36.608 -9.105 12.711 0.49 27.58 H new ATOM 0 HB2BGLU A 774 36.772 -8.804 13.696 0.51 27.58 H new ATOM 0 HB3AGLU A 774 36.785 -8.530 14.149 0.49 27.58 H new ATOM 0 HB3BGLU A 774 35.215 -8.866 13.628 0.51 27.58 H new ATOM 0 HG2AGLU A 774 34.487 -8.718 14.536 0.49 29.84 H new ATOM 0 HG2BGLU A 774 35.414 -9.049 11.232 0.51 29.84 H new ATOM 0 HG3AGLU A 774 34.266 -9.221 13.076 0.49 29.84 H new ATOM 0 HG3BGLU A 774 36.954 -9.196 11.425 0.51 29.84 H new ATOM 604 N GLU A 775 36.155 -5.755 14.855 1.00 22.44 N ATOM 605 CA AGLU A 775 35.639 -4.884 15.875 0.55 22.38 C ATOM 606 CA BGLU A 775 35.665 -4.869 15.893 0.45 21.81 C ATOM 607 C GLU A 775 35.298 -3.492 15.295 1.00 21.51 C ATOM 608 O GLU A 775 34.314 -2.879 15.706 1.00 19.22 O ATOM 609 CB AGLU A 775 36.615 -4.767 17.021 0.55 24.92 C ATOM 610 CB BGLU A 775 36.678 -4.691 17.018 0.45 23.20 C ATOM 611 CG AGLU A 775 36.967 -6.118 17.653 0.55 27.60 C ATOM 612 CG BGLU A 775 36.593 -5.766 18.107 0.45 24.07 C ATOM 613 CD AGLU A 775 35.747 -6.934 18.076 0.55 28.44 C ATOM 614 CD BGLU A 775 37.085 -7.146 17.638 0.45 26.32 C ATOM 615 OE1AGLU A 775 34.971 -6.386 18.868 0.55 29.32 O ATOM 616 OE1BGLU A 775 37.924 -7.204 16.704 0.45 26.54 O ATOM 617 OE2AGLU A 775 35.571 -8.099 17.636 0.55 30.31 O ATOM 618 OE2BGLU A 775 36.631 -8.167 18.223 0.45 25.03 O ATOM 0 H AGLU A 775 37.000 -5.907 14.899 0.55 22.44 H new ATOM 0 H BGLU A 775 36.999 -5.915 14.893 0.45 22.44 H new ATOM 0 HA AGLU A 775 34.818 -5.273 16.216 0.55 21.81 H new ATOM 0 HA BGLU A 775 34.872 -5.280 16.271 0.45 21.81 H new ATOM 0 HB2AGLU A 775 37.428 -4.343 16.704 0.55 23.20 H new ATOM 0 HB2BGLU A 775 37.571 -4.696 16.640 0.45 23.20 H new ATOM 0 HB3AGLU A 775 36.239 -4.186 17.701 0.55 23.20 H new ATOM 0 HB3BGLU A 775 36.547 -3.820 17.425 0.45 23.20 H new ATOM 0 HG2AGLU A 775 37.489 -6.636 17.020 0.55 24.07 H new ATOM 0 HG2BGLU A 775 37.119 -5.485 18.872 0.45 24.07 H new ATOM 0 HG3AGLU A 775 37.530 -5.967 18.428 0.55 24.07 H new ATOM 0 HG3BGLU A 775 35.674 -5.842 18.407 0.45 24.07 H new ATOM 619 N GLN A 776 36.103 -3.032 14.360 1.00 19.70 N ATOM 620 CA GLN A 776 35.856 -1.780 13.610 1.00 21.00 C ATOM 621 C GLN A 776 34.490 -1.867 12.953 1.00 18.78 C ATOM 622 O GLN A 776 33.721 -0.898 12.990 1.00 17.24 O ATOM 623 CB GLN A 776 36.983 -1.489 12.616 1.00 19.98 C ATOM 624 CG GLN A 776 36.852 -0.306 11.636 1.00 22.29 C ATOM 625 CD GLN A 776 37.226 1.043 12.204 1.00 23.11 C ATOM 626 OE1 GLN A 776 37.987 1.115 13.161 1.00 23.77 O ATOM 627 NE2 GLN A 776 36.662 2.150 11.633 1.00 22.39 N ATOM 0 H GLN A 776 36.827 -3.434 14.127 1.00 19.70 H new ATOM 0 HA GLN A 776 35.852 -1.025 14.219 1.00 21.00 H new ATOM 0 HB2 GLN A 776 37.794 -1.351 13.130 1.00 19.98 H new ATOM 0 HB3 GLN A 776 37.116 -2.291 12.086 1.00 19.98 H new ATOM 0 HG2 GLN A 776 37.411 -0.482 10.863 1.00 22.29 H new ATOM 0 HG3 GLN A 776 35.936 -0.266 11.321 1.00 22.29 H new ATOM 0 HE21 GLN A 776 36.131 2.064 10.962 1.00 22.39 H new ATOM 0 HE22 GLN A 776 36.838 2.932 11.945 1.00 22.39 H new ATOM 628 N LEU A 777 34.211 -3.002 12.299 1.00 18.89 N ATOM 629 CA LEU A 777 32.946 -3.193 11.635 1.00 20.53 C ATOM 630 C LEU A 777 31.787 -3.179 12.571 1.00 20.00 C ATOM 631 O LEU A 777 30.725 -2.571 12.266 1.00 16.23 O ATOM 632 CB LEU A 777 32.922 -4.482 10.836 1.00 24.81 C ATOM 633 CG LEU A 777 31.782 -4.584 9.852 1.00 27.82 C ATOM 634 CD1 LEU A 777 32.010 -3.711 8.618 1.00 28.22 C ATOM 635 CD2 LEU A 777 31.593 -6.058 9.490 1.00 31.43 C ATOM 0 H LEU A 777 34.752 -3.668 12.236 1.00 18.89 H new ATOM 0 HA LEU A 777 32.856 -2.437 11.034 1.00 20.53 H new ATOM 0 HB2 LEU A 777 33.760 -4.567 10.354 1.00 24.81 H new ATOM 0 HB3 LEU A 777 32.872 -5.230 11.451 1.00 24.81 H new ATOM 0 HG LEU A 777 30.970 -4.246 10.260 1.00 27.82 H new ATOM 0 HD11 LEU A 777 31.258 -3.804 8.012 1.00 28.22 H new ATOM 0 HD12 LEU A 777 32.094 -2.783 8.889 1.00 28.22 H new ATOM 0 HD13 LEU A 777 32.823 -3.991 8.169 1.00 28.22 H new ATOM 0 HD21 LEU A 777 30.863 -6.145 8.857 1.00 31.43 H new ATOM 0 HD22 LEU A 777 32.408 -6.401 9.092 1.00 31.43 H new ATOM 0 HD23 LEU A 777 31.387 -6.564 10.291 1.00 31.43 H new ATOM 636 N LYS A 778 31.944 -3.866 13.716 1.00 18.14 N ATOM 637 CA ALYS A 778 30.909 -3.887 14.744 0.17 17.71 C ATOM 638 CA BLYS A 778 30.911 -3.892 14.724 0.83 19.69 C ATOM 639 C LYS A 778 30.610 -2.496 15.286 1.00 17.22 C ATOM 640 O LYS A 778 29.433 -2.166 15.545 1.00 14.97 O ATOM 641 CB ALYS A 778 31.287 -4.824 15.896 0.17 18.19 C ATOM 642 CB BLYS A 778 31.260 -4.890 15.838 0.83 23.49 C ATOM 643 CG ALYS A 778 31.056 -6.289 15.561 0.17 18.36 C ATOM 644 CG BLYS A 778 31.042 -6.360 15.388 0.83 25.70 C ATOM 645 CD ALYS A 778 31.381 -7.182 16.746 0.17 18.82 C ATOM 646 CD BLYS A 778 31.491 -7.336 16.486 0.83 32.76 C ATOM 647 CE ALYS A 778 31.059 -8.623 16.403 0.17 19.32 C ATOM 648 CE BLYS A 778 31.295 -8.789 16.060 0.83 39.80 C ATOM 649 NZ ALYS A 778 31.743 -9.090 15.167 0.17 19.08 N ATOM 650 NZ BLYS A 778 30.991 -9.682 17.236 0.83 45.51 N ATOM 0 H ALYS A 778 32.646 -4.324 13.909 0.17 18.14 H new ATOM 0 H BLYS A 778 32.648 -4.319 13.914 0.83 18.14 H new ATOM 0 HA ALYS A 778 30.105 -4.222 14.317 0.17 19.69 H new ATOM 0 HA BLYS A 778 30.096 -4.195 14.295 0.83 19.69 H new ATOM 0 HB2ALYS A 778 32.221 -4.691 16.123 0.17 23.49 H new ATOM 0 HB2BLYS A 778 32.185 -4.767 16.104 0.83 23.49 H new ATOM 0 HB3ALYS A 778 30.768 -4.590 16.682 0.17 23.49 H new ATOM 0 HB3BLYS A 778 30.714 -4.707 16.619 0.83 23.49 H new ATOM 0 HG2ALYS A 778 30.132 -6.421 15.297 0.17 25.70 H new ATOM 0 HG2BLYS A 778 30.105 -6.505 15.183 0.83 25.70 H new ATOM 0 HG3ALYS A 778 31.606 -6.541 14.803 0.17 25.70 H new ATOM 0 HG3BLYS A 778 31.540 -6.531 14.573 0.83 25.70 H new ATOM 0 HD2ALYS A 778 32.319 -7.097 16.978 0.17 32.76 H new ATOM 0 HD2BLYS A 778 32.426 -7.182 16.694 0.83 32.76 H new ATOM 0 HD3ALYS A 778 30.870 -6.903 17.522 0.17 32.76 H new ATOM 0 HD3BLYS A 778 30.988 -7.165 17.297 0.83 32.76 H new ATOM 0 HE2ALYS A 778 31.317 -9.193 17.145 0.17 39.80 H new ATOM 0 HE2BLYS A 778 30.570 -8.843 15.418 0.83 39.80 H new ATOM 0 HE3ALYS A 778 30.100 -8.718 16.292 0.17 39.80 H new ATOM 0 HE3BLYS A 778 32.095 -9.105 15.612 0.83 39.80 H new ATOM 0 HZ1ALYS A 778 31.162 -9.104 14.493 0.17 45.51 H new ATOM 0 HZ1BLYS A 778 30.713 -10.475 16.943 0.83 45.51 H new ATOM 0 HZ2ALYS A 778 32.412 -8.536 14.970 0.17 45.51 H new ATOM 0 HZ2BLYS A 778 31.726 -9.788 17.726 0.83 45.51 H new ATOM 0 HZ3ALYS A 778 32.065 -9.909 15.297 0.17 45.51 H new ATOM 0 HZ3BLYS A 778 30.354 -9.311 17.734 0.83 45.51 H new ATOM 651 N CYS A 779 31.644 -1.702 15.498 1.00 14.67 N ATOM 652 CA CYS A 779 31.419 -0.332 15.975 1.00 16.48 C ATOM 653 C CYS A 779 30.742 0.527 14.891 1.00 17.43 C ATOM 654 O CYS A 779 29.856 1.284 15.214 1.00 17.50 O ATOM 655 CB CYS A 779 32.714 0.331 16.407 1.00 15.99 C ATOM 656 SG CYS A 779 33.392 -0.409 17.950 1.00 18.49 S ATOM 0 H CYS A 779 32.467 -1.921 15.378 1.00 14.67 H new ATOM 0 HA CYS A 779 30.832 -0.396 16.745 1.00 16.48 H new ATOM 0 HB2 CYS A 779 33.369 0.251 15.696 1.00 15.99 H new ATOM 0 HB3 CYS A 779 32.560 1.279 16.545 1.00 15.99 H new ATOM 0 HG CYS A 779 33.043 0.244 18.894 1.00 18.49 H new ATOM 657 N GLU A 780 31.146 0.366 13.632 1.00 17.48 N ATOM 658 CA GLU A 780 30.414 1.034 12.506 1.00 17.19 C ATOM 659 C GLU A 780 28.918 0.686 12.514 1.00 17.14 C ATOM 660 O GLU A 780 28.071 1.564 12.385 1.00 16.30 O ATOM 661 CB GLU A 780 31.087 0.777 11.210 1.00 16.69 C ATOM 662 CG GLU A 780 32.499 1.331 11.130 1.00 18.73 C ATOM 663 CD GLU A 780 33.384 0.796 10.007 1.00 21.00 C ATOM 664 OE1 GLU A 780 33.033 -0.281 9.439 1.00 28.27 O ATOM 665 OE2 GLU A 780 34.489 1.423 9.715 1.00 23.71 O ATOM 0 H GLU A 780 31.822 -0.110 13.394 1.00 17.48 H new ATOM 0 HA GLU A 780 30.450 1.994 12.640 1.00 17.19 H new ATOM 0 HB2 GLU A 780 31.115 -0.180 11.054 1.00 16.69 H new ATOM 0 HB3 GLU A 780 30.556 1.165 10.497 1.00 16.69 H new ATOM 0 HG2 GLU A 780 32.441 2.295 11.037 1.00 18.73 H new ATOM 0 HG3 GLU A 780 32.942 1.154 11.975 1.00 18.73 H new ATOM 666 N PHE A 781 28.598 -0.588 12.722 1.00 16.27 N ATOM 667 CA PHE A 781 27.228 -1.071 12.715 1.00 16.29 C ATOM 668 C PHE A 781 26.408 -0.534 13.902 1.00 16.42 C ATOM 669 O PHE A 781 25.280 -0.037 13.739 1.00 16.37 O ATOM 670 CB PHE A 781 27.258 -2.615 12.641 1.00 17.95 C ATOM 671 CG PHE A 781 25.924 -3.237 12.512 1.00 19.18 C ATOM 672 CD1 PHE A 781 25.093 -2.883 11.446 1.00 22.21 C ATOM 673 CD2 PHE A 781 25.479 -4.125 13.411 1.00 19.64 C ATOM 674 CE1 PHE A 781 23.849 -3.482 11.303 1.00 23.09 C ATOM 675 CE2 PHE A 781 24.248 -4.710 13.292 1.00 21.99 C ATOM 676 CZ PHE A 781 23.429 -4.382 12.251 1.00 23.34 C ATOM 0 H PHE A 781 29.181 -1.202 12.873 1.00 16.27 H new ATOM 0 HA PHE A 781 26.766 -0.730 11.933 1.00 16.29 H new ATOM 0 HB2 PHE A 781 27.804 -2.883 11.885 1.00 17.95 H new ATOM 0 HB3 PHE A 781 27.689 -2.959 13.439 1.00 17.95 H new ATOM 0 HD1 PHE A 781 25.374 -2.245 10.831 1.00 22.21 H new ATOM 0 HD2 PHE A 781 26.020 -4.349 14.133 1.00 19.64 H new ATOM 0 HE1 PHE A 781 23.308 -3.277 10.575 1.00 23.09 H new ATOM 0 HE2 PHE A 781 23.968 -5.333 13.923 1.00 21.99 H new ATOM 0 HZ PHE A 781 22.586 -4.768 12.184 1.00 23.34 H new ATOM 677 N LEU A 782 27.000 -0.559 15.104 1.00 15.07 N ATOM 678 CA LEU A 782 26.419 0.025 16.257 1.00 13.50 C ATOM 679 C LEU A 782 26.114 1.520 16.074 1.00 13.90 C ATOM 680 O LEU A 782 24.979 2.006 16.433 1.00 12.22 O ATOM 681 CB LEU A 782 27.322 -0.226 17.449 1.00 14.43 C ATOM 682 CG LEU A 782 26.951 0.336 18.790 1.00 15.03 C ATOM 683 CD1 LEU A 782 25.507 0.165 19.174 1.00 16.66 C ATOM 684 CD2 LEU A 782 27.793 -0.313 19.886 1.00 16.15 C ATOM 0 H LEU A 782 27.763 -0.928 15.248 1.00 15.07 H new ATOM 0 HA LEU A 782 25.559 -0.396 16.413 1.00 13.50 H new ATOM 0 HB2 LEU A 782 27.408 -1.187 17.551 1.00 14.43 H new ATOM 0 HB3 LEU A 782 28.202 0.116 17.224 1.00 14.43 H new ATOM 0 HG LEU A 782 27.119 1.288 18.707 1.00 15.03 H new ATOM 0 HD11 LEU A 782 25.356 0.555 20.049 1.00 16.66 H new ATOM 0 HD12 LEU A 782 24.944 0.610 18.521 1.00 16.66 H new ATOM 0 HD13 LEU A 782 25.288 -0.780 19.199 1.00 16.66 H new ATOM 0 HD21 LEU A 782 27.545 0.058 20.747 1.00 16.15 H new ATOM 0 HD22 LEU A 782 27.638 -1.270 19.890 1.00 16.15 H new ATOM 0 HD23 LEU A 782 28.732 -0.139 19.718 1.00 16.15 H new ATOM 685 N LEU A 783 27.064 2.241 15.505 1.00 15.21 N ATOM 686 CA LEU A 783 26.801 3.676 15.187 1.00 15.58 C ATOM 687 C LEU A 783 25.683 3.842 14.218 1.00 14.31 C ATOM 688 O LEU A 783 24.816 4.697 14.388 1.00 13.74 O ATOM 689 CB LEU A 783 28.028 4.314 14.645 1.00 17.16 C ATOM 690 CG LEU A 783 27.979 5.818 14.358 1.00 17.17 C ATOM 691 CD1 LEU A 783 27.505 6.616 15.570 1.00 17.52 C ATOM 692 CD2 LEU A 783 29.323 6.311 13.828 1.00 17.31 C ATOM 0 H LEU A 783 27.846 1.952 15.294 1.00 15.21 H new ATOM 0 HA LEU A 783 26.542 4.109 16.015 1.00 15.58 H new ATOM 0 HB2 LEU A 783 28.750 4.153 15.272 1.00 17.16 H new ATOM 0 HB3 LEU A 783 28.262 3.860 13.820 1.00 17.16 H new ATOM 0 HG LEU A 783 27.319 5.967 13.663 1.00 17.17 H new ATOM 0 HD11 LEU A 783 27.488 7.560 15.349 1.00 17.52 H new ATOM 0 HD12 LEU A 783 26.614 6.326 15.820 1.00 17.52 H new ATOM 0 HD13 LEU A 783 28.112 6.469 16.312 1.00 17.52 H new ATOM 0 HD21 LEU A 783 29.272 7.264 13.653 1.00 17.31 H new ATOM 0 HD22 LEU A 783 30.013 6.141 14.488 1.00 17.31 H new ATOM 0 HD23 LEU A 783 29.539 5.842 13.006 1.00 17.31 H new ATOM 693 N LEU A 784 25.691 2.996 13.180 1.00 17.46 N ATOM 694 CA LEU A 784 24.611 3.016 12.225 1.00 17.16 C ATOM 695 C LEU A 784 23.233 2.778 12.867 1.00 17.67 C ATOM 696 O LEU A 784 22.230 3.498 12.571 1.00 16.48 O ATOM 697 CB LEU A 784 24.894 2.097 11.012 1.00 18.95 C ATOM 698 CG LEU A 784 23.762 1.998 9.989 1.00 20.20 C ATOM 699 CD1 LEU A 784 24.256 2.158 8.616 1.00 21.77 C ATOM 700 CD2 LEU A 784 22.907 0.728 10.114 1.00 22.36 C ATOM 0 H LEU A 784 26.307 2.417 13.024 1.00 17.46 H new ATOM 0 HA LEU A 784 24.568 3.919 11.874 1.00 17.16 H new ATOM 0 HB2 LEU A 784 25.691 2.418 10.561 1.00 18.95 H new ATOM 0 HB3 LEU A 784 25.093 1.206 11.340 1.00 18.95 H new ATOM 0 HG LEU A 784 23.172 2.739 10.199 1.00 20.20 H new ATOM 0 HD11 LEU A 784 23.514 2.090 7.995 1.00 21.77 H new ATOM 0 HD12 LEU A 784 24.677 3.027 8.522 1.00 21.77 H new ATOM 0 HD13 LEU A 784 24.904 1.463 8.422 1.00 21.77 H new ATOM 0 HD21 LEU A 784 22.214 0.736 9.436 1.00 22.36 H new ATOM 0 HD22 LEU A 784 23.468 -0.054 9.992 1.00 22.36 H new ATOM 0 HD23 LEU A 784 22.498 0.698 10.993 1.00 22.36 H new ATOM 701 N LYS A 785 23.142 1.852 13.820 1.00 15.89 N ATOM 702 CA LYS A 785 21.916 1.532 14.504 1.00 16.84 C ATOM 703 C LYS A 785 21.390 2.744 15.331 1.00 18.55 C ATOM 704 O LYS A 785 20.182 2.938 15.438 1.00 16.73 O ATOM 705 CB LYS A 785 22.108 0.278 15.365 1.00 18.44 C ATOM 706 CG LYS A 785 22.119 -1.041 14.559 1.00 20.89 C ATOM 707 CD LYS A 785 20.701 -1.322 14.049 1.00 27.01 C ATOM 708 CE LYS A 785 20.629 -2.724 13.555 1.00 36.07 C ATOM 709 NZ LYS A 785 19.277 -3.255 13.814 1.00 40.69 N ATOM 0 H LYS A 785 23.815 1.387 14.086 1.00 15.89 H new ATOM 0 HA LYS A 785 21.232 1.337 13.844 1.00 16.84 H new ATOM 0 HB2 LYS A 785 22.943 0.356 15.852 1.00 18.44 H new ATOM 0 HB3 LYS A 785 21.398 0.238 16.024 1.00 18.44 H new ATOM 0 HG2 LYS A 785 22.736 -0.974 13.814 1.00 20.89 H new ATOM 0 HG3 LYS A 785 22.426 -1.773 15.117 1.00 20.89 H new ATOM 0 HD2 LYS A 785 20.056 -1.185 14.761 1.00 27.01 H new ATOM 0 HD3 LYS A 785 20.473 -0.704 13.337 1.00 27.01 H new ATOM 0 HE2 LYS A 785 20.825 -2.755 12.606 1.00 36.07 H new ATOM 0 HE3 LYS A 785 21.295 -3.271 14.000 1.00 36.07 H new ATOM 0 HZ1 LYS A 785 19.226 -4.094 13.521 1.00 40.69 H new ATOM 0 HZ2 LYS A 785 19.113 -3.236 14.689 1.00 40.69 H new ATOM 0 HZ3 LYS A 785 18.675 -2.756 13.389 1.00 40.69 H new ATOM 710 N VAL A 786 22.300 3.610 15.800 1.00 15.76 N ATOM 711 CA VAL A 786 21.864 4.787 16.504 1.00 16.58 C ATOM 712 C VAL A 786 21.281 5.825 15.483 1.00 16.00 C ATOM 713 O VAL A 786 20.198 6.366 15.726 1.00 18.05 O ATOM 714 CB VAL A 786 22.995 5.384 17.340 1.00 16.91 C ATOM 715 CG1 VAL A 786 22.675 6.785 17.857 1.00 15.69 C ATOM 716 CG2 VAL A 786 23.365 4.412 18.478 1.00 15.99 C ATOM 0 H VAL A 786 23.152 3.525 15.716 1.00 15.76 H new ATOM 0 HA VAL A 786 21.161 4.541 17.125 1.00 16.58 H new ATOM 0 HB VAL A 786 23.767 5.497 16.764 1.00 16.91 H new ATOM 0 HG11 VAL A 786 23.422 7.116 18.379 1.00 15.69 H new ATOM 0 HG12 VAL A 786 22.517 7.379 17.106 1.00 15.69 H new ATOM 0 HG13 VAL A 786 21.882 6.751 18.414 1.00 15.69 H new ATOM 0 HG21 VAL A 786 24.083 4.792 19.008 1.00 15.99 H new ATOM 0 HG22 VAL A 786 22.590 4.265 19.043 1.00 15.99 H new ATOM 0 HG23 VAL A 786 23.655 3.567 18.100 1.00 15.99 H new ATOM 717 N TYR A 787 21.958 5.997 14.374 1.00 17.21 N ATOM 718 CA TYR A 787 21.466 6.871 13.274 1.00 17.29 C ATOM 719 C TYR A 787 20.131 6.411 12.720 1.00 18.69 C ATOM 720 O TYR A 787 19.362 7.255 12.203 1.00 19.00 O ATOM 721 CB TYR A 787 22.463 7.026 12.143 1.00 16.07 C ATOM 722 CG TYR A 787 23.616 7.987 12.324 1.00 16.31 C ATOM 723 CD1 TYR A 787 23.474 9.367 12.053 1.00 16.16 C ATOM 724 CD2 TYR A 787 24.877 7.538 12.597 1.00 14.23 C ATOM 725 CE1 TYR A 787 24.543 10.242 12.220 1.00 16.58 C ATOM 726 CE2 TYR A 787 25.922 8.402 12.779 1.00 15.65 C ATOM 727 CZ TYR A 787 25.778 9.766 12.562 1.00 16.16 C ATOM 728 OH TYR A 787 26.830 10.693 12.631 1.00 15.58 O ATOM 0 H TYR A 787 22.716 5.623 14.214 1.00 17.21 H new ATOM 0 HA TYR A 787 21.347 7.741 13.685 1.00 17.29 H new ATOM 0 HB2 TYR A 787 22.836 6.150 11.956 1.00 16.07 H new ATOM 0 HB3 TYR A 787 21.972 7.300 11.353 1.00 16.07 H new ATOM 0 HD1 TYR A 787 22.655 9.695 11.759 1.00 16.16 H new ATOM 0 HD2 TYR A 787 25.029 6.623 12.661 1.00 14.23 H new ATOM 0 HE1 TYR A 787 24.417 11.155 12.098 1.00 16.58 H new ATOM 0 HE2 TYR A 787 26.746 8.069 13.054 1.00 15.65 H new ATOM 0 HH TYR A 787 26.683 11.324 12.096 1.00 15.58 H new ATOM 729 N CYS A 788 19.839 5.132 12.790 1.00 18.23 N ATOM 730 CA CYS A 788 18.534 4.602 12.371 1.00 22.56 C ATOM 731 C CYS A 788 17.340 5.117 13.176 1.00 22.56 C ATOM 732 O CYS A 788 16.208 5.035 12.712 1.00 21.84 O ATOM 733 CB CYS A 788 18.490 3.047 12.380 1.00 21.22 C ATOM 734 SG CYS A 788 19.435 2.216 11.097 1.00 24.59 S ATOM 0 H CYS A 788 20.384 4.534 13.081 1.00 18.23 H new ATOM 0 HA CYS A 788 18.446 4.937 11.465 1.00 22.56 H new ATOM 0 HB2 CYS A 788 18.810 2.738 13.242 1.00 21.22 H new ATOM 0 HB3 CYS A 788 17.564 2.768 12.305 1.00 21.22 H new ATOM 0 HG CYS A 788 20.603 2.447 11.246 1.00 24.59 H new ATOM 735 N ASP A 789 17.549 5.563 14.404 1.00 19.34 N ATOM 736 CA ASP A 789 16.467 6.180 15.148 1.00 20.26 C ATOM 737 C ASP A 789 16.318 7.624 14.769 1.00 19.07 C ATOM 738 O ASP A 789 17.299 8.362 14.790 1.00 16.74 O ATOM 739 CB ASP A 789 16.746 6.140 16.685 1.00 23.14 C ATOM 740 CG ASP A 789 15.461 6.339 17.489 1.00 30.68 C ATOM 741 OD1 ASP A 789 14.998 7.507 17.697 1.00 27.57 O ATOM 742 OD2 ASP A 789 14.850 5.274 17.806 1.00 31.44 O ATOM 0 H ASP A 789 18.300 5.519 14.820 1.00 19.34 H new ATOM 0 HA ASP A 789 15.663 5.681 14.935 1.00 20.26 H new ATOM 0 HB2 ASP A 789 17.149 5.290 16.921 1.00 23.14 H new ATOM 0 HB3 ASP A 789 17.386 6.831 16.918 1.00 23.14 H new ATOM 743 N SER A 790 15.087 8.098 14.544 1.00 18.81 N ATOM 744 CA SER A 790 14.940 9.514 14.114 1.00 19.32 C ATOM 745 C SER A 790 15.391 10.505 15.200 1.00 18.32 C ATOM 746 O SER A 790 15.864 11.604 14.855 1.00 19.91 O ATOM 747 CB SER A 790 13.495 9.797 13.730 1.00 22.59 C ATOM 748 OG SER A 790 12.720 9.437 14.847 1.00 30.31 O ATOM 0 H SER A 790 14.356 7.652 14.626 1.00 18.81 H new ATOM 0 HA SER A 790 15.517 9.640 13.345 1.00 19.32 H new ATOM 0 HB2 SER A 790 13.371 10.733 13.509 1.00 22.59 H new ATOM 0 HB3 SER A 790 13.237 9.284 12.948 1.00 22.59 H new ATOM 0 HG SER A 790 12.405 8.667 14.733 1.00 30.31 H new ATOM 749 N LYS A 791 15.345 10.115 16.496 1.00 16.15 N ATOM 750 CA LYS A 791 15.807 10.983 17.548 1.00 18.11 C ATOM 751 C LYS A 791 17.342 11.232 17.541 1.00 20.13 C ATOM 752 O LYS A 791 17.861 12.157 18.235 1.00 18.29 O ATOM 753 CB LYS A 791 15.322 10.490 18.903 1.00 21.83 C ATOM 754 CG LYS A 791 13.824 10.560 19.136 1.00 25.66 C ATOM 755 CD LYS A 791 13.404 9.438 20.106 1.00 29.56 C ATOM 756 CE LYS A 791 11.915 9.401 20.374 1.00 33.07 C ATOM 757 NZ LYS A 791 11.484 10.552 21.221 1.00 33.48 N ATOM 0 H LYS A 791 15.048 9.353 16.763 1.00 16.15 H new ATOM 0 HA LYS A 791 15.413 11.852 17.372 1.00 18.11 H new ATOM 0 HB2 LYS A 791 15.606 9.569 19.014 1.00 21.83 H new ATOM 0 HB3 LYS A 791 15.764 11.008 19.594 1.00 21.83 H new ATOM 0 HG2 LYS A 791 13.584 11.425 19.503 1.00 25.66 H new ATOM 0 HG3 LYS A 791 13.351 10.467 18.294 1.00 25.66 H new ATOM 0 HD2 LYS A 791 13.681 8.583 19.741 1.00 29.56 H new ATOM 0 HD3 LYS A 791 13.874 9.553 20.946 1.00 29.56 H new ATOM 0 HE2 LYS A 791 11.433 9.418 19.532 1.00 33.07 H new ATOM 0 HE3 LYS A 791 11.685 8.569 20.816 1.00 33.07 H new ATOM 0 HZ1 LYS A 791 10.633 10.444 21.459 1.00 33.48 H new ATOM 0 HZ2 LYS A 791 11.993 10.591 21.950 1.00 33.48 H new ATOM 0 HZ3 LYS A 791 11.569 11.308 20.760 1.00 33.48 H new ATOM 758 N SER A 792 18.071 10.457 16.747 1.00 19.95 N ATOM 759 CA SER A 792 19.521 10.741 16.530 1.00 21.14 C ATOM 760 C SER A 792 19.810 12.122 15.920 1.00 20.39 C ATOM 761 O SER A 792 20.873 12.698 16.142 1.00 17.29 O ATOM 762 CB SER A 792 20.120 9.637 15.699 1.00 21.90 C ATOM 763 OG SER A 792 19.681 9.758 14.369 1.00 22.63 O ATOM 0 H SER A 792 17.769 9.771 16.325 1.00 19.95 H new ATOM 0 HA SER A 792 19.940 10.768 17.404 1.00 21.14 H new ATOM 0 HB2 SER A 792 21.088 9.681 15.735 1.00 21.90 H new ATOM 0 HB3 SER A 792 19.862 8.773 16.057 1.00 21.90 H new ATOM 0 HG SER A 792 18.930 9.390 14.287 1.00 22.63 H new ATOM 764 N CYS A 793 18.817 12.730 15.264 1.00 21.53 N ATOM 765 CA CYS A 793 18.997 14.082 14.725 1.00 20.53 C ATOM 766 C CYS A 793 19.438 15.088 15.768 1.00 19.51 C ATOM 767 O CYS A 793 20.290 15.946 15.496 1.00 24.46 O ATOM 768 CB CYS A 793 17.686 14.559 14.040 1.00 25.73 C ATOM 769 SG CYS A 793 16.317 14.887 15.188 1.00 27.99 S ATOM 0 H CYS A 793 18.043 12.383 15.122 1.00 21.53 H new ATOM 0 HA CYS A 793 19.713 14.030 14.073 1.00 20.53 H new ATOM 0 HB2 CYS A 793 17.872 15.367 13.537 1.00 25.73 H new ATOM 0 HB3 CYS A 793 17.404 13.886 13.401 1.00 25.73 H new ATOM 0 HG CYS A 793 15.739 13.862 15.426 1.00 27.99 H new ATOM 770 N PHE A 794 18.994 14.925 17.005 1.00 17.42 N ATOM 771 CA PHE A 794 19.438 15.835 18.078 1.00 16.58 C ATOM 772 C PHE A 794 20.890 15.799 18.471 1.00 18.06 C ATOM 773 O PHE A 794 21.413 16.759 19.051 1.00 18.31 O ATOM 774 CB PHE A 794 18.603 15.681 19.335 1.00 17.45 C ATOM 775 CG PHE A 794 17.145 16.017 19.185 1.00 15.52 C ATOM 776 CD1 PHE A 794 16.741 17.330 18.991 1.00 17.04 C ATOM 777 CD2 PHE A 794 16.207 15.030 19.178 1.00 16.80 C ATOM 778 CE1 PHE A 794 15.391 17.663 18.846 1.00 17.41 C ATOM 779 CE2 PHE A 794 14.837 15.330 19.032 1.00 19.55 C ATOM 780 CZ PHE A 794 14.436 16.685 18.849 1.00 17.31 C ATOM 0 H PHE A 794 18.446 14.310 17.252 1.00 17.42 H new ATOM 0 HA PHE A 794 19.306 16.698 17.656 1.00 16.58 H new ATOM 0 HB2 PHE A 794 18.678 14.765 19.645 1.00 17.45 H new ATOM 0 HB3 PHE A 794 18.980 16.246 20.027 1.00 17.45 H new ATOM 0 HD1 PHE A 794 17.382 18.003 18.957 1.00 17.04 H new ATOM 0 HD2 PHE A 794 16.474 14.144 19.271 1.00 16.80 H new ATOM 0 HE1 PHE A 794 15.142 18.553 18.747 1.00 17.41 H new ATOM 0 HE2 PHE A 794 14.202 14.651 19.055 1.00 19.55 H new ATOM 0 HZ PHE A 794 13.539 16.901 18.733 1.00 17.31 H new ATOM 781 N PHE A 795 21.510 14.639 18.239 1.00 17.99 N ATOM 782 CA PHE A 795 22.881 14.328 18.596 1.00 16.87 C ATOM 783 C PHE A 795 23.835 14.208 17.391 1.00 16.16 C ATOM 784 O PHE A 795 24.989 13.886 17.557 1.00 18.35 O ATOM 785 CB PHE A 795 22.822 12.988 19.400 1.00 15.83 C ATOM 786 CG PHE A 795 21.917 13.069 20.577 1.00 16.64 C ATOM 787 CD1 PHE A 795 22.304 13.760 21.689 1.00 16.70 C ATOM 788 CD2 PHE A 795 20.647 12.496 20.563 1.00 16.14 C ATOM 789 CE1 PHE A 795 21.479 13.871 22.781 1.00 16.08 C ATOM 790 CE2 PHE A 795 19.814 12.584 21.665 1.00 17.09 C ATOM 791 CZ PHE A 795 20.208 13.308 22.748 1.00 15.54 C ATOM 0 H PHE A 795 21.115 13.983 17.848 1.00 17.99 H new ATOM 0 HA PHE A 795 23.250 15.058 19.117 1.00 16.87 H new ATOM 0 HB2 PHE A 795 22.522 12.276 18.814 1.00 15.83 H new ATOM 0 HB3 PHE A 795 23.715 12.754 19.698 1.00 15.83 H new ATOM 0 HD1 PHE A 795 23.142 14.163 21.707 1.00 16.70 H new ATOM 0 HD2 PHE A 795 20.355 12.048 19.802 1.00 16.14 H new ATOM 0 HE1 PHE A 795 21.770 14.322 23.541 1.00 16.08 H new ATOM 0 HE2 PHE A 795 18.991 12.151 21.665 1.00 17.09 H new ATOM 0 HZ PHE A 795 19.628 13.426 23.465 1.00 15.54 H new ATOM 792 N ALA A 796 23.386 14.482 16.177 1.00 16.09 N ATOM 793 CA ALA A 796 24.213 14.362 15.012 1.00 15.66 C ATOM 794 C ALA A 796 25.290 15.380 14.802 1.00 16.56 C ATOM 795 O ALA A 796 26.455 15.027 14.576 1.00 17.74 O ATOM 796 CB ALA A 796 23.370 14.227 13.747 1.00 17.62 C ATOM 0 H ALA A 796 22.584 14.745 16.013 1.00 16.09 H new ATOM 0 HA ALA A 796 24.706 13.548 15.201 1.00 15.66 H new ATOM 0 HB1 ALA A 796 23.953 14.148 12.976 1.00 17.62 H new ATOM 0 HB2 ALA A 796 22.812 13.436 13.813 1.00 17.62 H new ATOM 0 HB3 ALA A 796 22.808 15.011 13.647 1.00 17.62 H new ATOM 797 N SER A 797 24.959 16.668 14.871 1.00 19.03 N ATOM 798 CA SER A 797 25.897 17.685 14.566 1.00 19.62 C ATOM 799 C SER A 797 26.337 18.416 15.835 1.00 20.26 C ATOM 800 O SER A 797 25.835 18.206 16.893 1.00 23.27 O ATOM 801 CB SER A 797 25.265 18.617 13.501 1.00 23.63 C ATOM 802 OG SER A 797 24.306 19.354 14.186 1.00 26.39 O ATOM 0 H SER A 797 24.181 16.955 15.098 1.00 19.03 H new ATOM 0 HA SER A 797 26.710 17.309 14.194 1.00 19.62 H new ATOM 0 HB2 SER A 797 25.933 19.196 13.101 1.00 23.63 H new ATOM 0 HB3 SER A 797 24.865 18.105 12.780 1.00 23.63 H new ATOM 0 HG SER A 797 24.605 20.123 14.346 1.00 26.39 H new ATOM 803 N GLU A 798 27.350 19.249 15.698 1.00 20.55 N ATOM 804 CA GLU A 798 27.994 19.906 16.819 1.00 22.22 C ATOM 805 C GLU A 798 27.038 20.795 17.562 1.00 23.29 C ATOM 806 O GLU A 798 26.455 21.693 16.962 1.00 26.35 O ATOM 807 CB GLU A 798 29.174 20.751 16.334 1.00 22.87 C ATOM 808 CG GLU A 798 30.006 21.286 17.445 1.00 23.37 C ATOM 809 CD GLU A 798 31.319 21.943 16.993 1.00 28.16 C ATOM 810 OE1 GLU A 798 31.626 22.102 15.767 1.00 28.05 O ATOM 811 OE2 GLU A 798 32.049 22.325 17.931 1.00 28.77 O ATOM 0 H GLU A 798 27.691 19.454 14.935 1.00 20.55 H new ATOM 0 HA GLU A 798 28.306 19.210 17.419 1.00 22.22 H new ATOM 0 HB2 GLU A 798 29.731 20.213 15.750 1.00 22.87 H new ATOM 0 HB3 GLU A 798 28.839 21.491 15.804 1.00 22.87 H new ATOM 0 HG2 GLU A 798 29.485 21.937 17.941 1.00 23.37 H new ATOM 0 HG3 GLU A 798 30.213 20.563 18.057 1.00 23.37 H new ATOM 812 N PRO A 799 26.901 20.580 18.857 1.00 21.92 N ATOM 813 CA PRO A 799 25.994 21.261 19.685 1.00 23.89 C ATOM 814 C PRO A 799 26.611 22.574 20.172 1.00 24.79 C ATOM 815 O PRO A 799 27.825 22.825 20.001 1.00 21.68 O ATOM 816 CB PRO A 799 25.829 20.307 20.871 1.00 25.87 C ATOM 817 CG PRO A 799 27.191 19.728 20.998 1.00 25.89 C ATOM 818 CD PRO A 799 27.674 19.566 19.620 1.00 23.95 C ATOM 0 HA PRO A 799 25.161 21.482 19.240 1.00 23.89 H new ATOM 0 HB2 PRO A 799 25.557 20.774 21.677 1.00 25.87 H new ATOM 0 HB3 PRO A 799 25.160 19.626 20.698 1.00 25.87 H new ATOM 0 HG2 PRO A 799 27.774 20.313 21.507 1.00 25.89 H new ATOM 0 HG3 PRO A 799 27.168 18.877 21.463 1.00 25.89 H new ATOM 0 HD2 PRO A 799 28.629 19.723 19.556 1.00 23.95 H new ATOM 0 HD3 PRO A 799 27.511 18.669 19.288 1.00 23.95 H new ATOM 819 N TYR A 800 25.743 23.433 20.672 1.00 25.44 N ATOM 820 CA TYR A 800 26.206 24.583 21.438 1.00 26.80 C ATOM 821 C TYR A 800 25.302 24.827 22.669 1.00 24.37 C ATOM 822 O TYR A 800 24.157 24.411 22.740 1.00 21.36 O ATOM 823 CB TYR A 800 26.292 25.775 20.538 1.00 30.33 C ATOM 824 CG TYR A 800 24.950 26.208 20.036 1.00 36.52 C ATOM 825 CD1 TYR A 800 24.506 25.810 18.787 1.00 40.40 C ATOM 826 CD2 TYR A 800 24.135 27.074 20.809 1.00 42.77 C ATOM 827 CE1 TYR A 800 23.264 26.243 18.292 1.00 49.00 C ATOM 828 CE2 TYR A 800 22.892 27.523 20.327 1.00 50.02 C ATOM 829 CZ TYR A 800 22.459 27.101 19.071 1.00 54.16 C ATOM 830 OH TYR A 800 21.246 27.536 18.583 1.00 62.81 O ATOM 0 H TYR A 800 24.890 23.374 20.583 1.00 25.44 H new ATOM 0 HA TYR A 800 27.094 24.409 21.786 1.00 26.80 H new ATOM 0 HB2 TYR A 800 26.708 26.509 21.016 1.00 30.33 H new ATOM 0 HB3 TYR A 800 26.865 25.567 19.784 1.00 30.33 H new ATOM 0 HD1 TYR A 800 25.036 25.249 18.269 1.00 40.40 H new ATOM 0 HD2 TYR A 800 24.427 27.349 21.648 1.00 42.77 H new ATOM 0 HE1 TYR A 800 22.974 25.965 17.453 1.00 49.00 H new ATOM 0 HE2 TYR A 800 22.366 28.094 20.839 1.00 50.02 H new ATOM 0 HH TYR A 800 20.879 28.035 19.150 1.00 62.81 H new ATOM 831 N TYR A 801 25.859 25.546 23.628 1.00 21.87 N ATOM 832 CA TYR A 801 25.370 25.588 24.960 1.00 20.43 C ATOM 833 C TYR A 801 25.305 27.008 25.541 1.00 23.02 C ATOM 834 O TYR A 801 26.325 27.565 25.974 1.00 18.82 O ATOM 835 CB TYR A 801 26.323 24.791 25.818 1.00 20.70 C ATOM 836 CG TYR A 801 26.391 23.331 25.367 1.00 20.64 C ATOM 837 CD1 TYR A 801 25.422 22.427 25.772 1.00 19.54 C ATOM 838 CD2 TYR A 801 27.446 22.875 24.554 1.00 21.18 C ATOM 839 CE1 TYR A 801 25.498 21.053 25.399 1.00 21.92 C ATOM 840 CE2 TYR A 801 27.541 21.517 24.171 1.00 21.66 C ATOM 841 CZ TYR A 801 26.539 20.616 24.561 1.00 20.74 C ATOM 842 OH TYR A 801 26.576 19.266 24.216 1.00 20.07 O ATOM 0 H TYR A 801 26.555 26.035 23.502 1.00 21.87 H new ATOM 0 HA TYR A 801 24.467 25.233 24.952 1.00 20.43 H new ATOM 0 HB2 TYR A 801 27.208 25.186 25.775 1.00 20.70 H new ATOM 0 HB3 TYR A 801 26.039 24.832 26.744 1.00 20.70 H new ATOM 0 HD1 TYR A 801 24.711 22.721 26.295 1.00 19.54 H new ATOM 0 HD2 TYR A 801 28.092 23.478 24.264 1.00 21.18 H new ATOM 0 HE1 TYR A 801 24.862 20.449 25.708 1.00 21.92 H new ATOM 0 HE2 TYR A 801 28.263 21.223 23.664 1.00 21.66 H new ATOM 0 HH TYR A 801 25.794 18.959 24.202 1.00 20.07 H new ATOM 843 N ASN A 802 24.076 27.510 25.614 1.00 23.95 N ATOM 844 CA ASN A 802 23.791 28.804 26.154 1.00 24.24 C ATOM 845 C ASN A 802 22.378 28.796 26.735 1.00 23.86 C ATOM 846 O ASN A 802 21.450 29.114 26.075 1.00 25.19 O ATOM 847 CB ASN A 802 23.951 29.932 25.135 1.00 23.34 C ATOM 848 CG ASN A 802 23.956 31.311 25.832 1.00 25.09 C ATOM 849 OD1 ASN A 802 23.827 31.383 27.073 1.00 22.49 O ATOM 850 ND2 ASN A 802 24.213 32.362 25.080 1.00 26.56 N ATOM 0 H ASN A 802 23.378 27.088 25.341 1.00 23.95 H new ATOM 0 HA ASN A 802 24.442 28.984 26.850 1.00 24.24 H new ATOM 0 HB2 ASN A 802 24.778 29.812 24.642 1.00 23.34 H new ATOM 0 HB3 ASN A 802 23.228 29.895 24.490 1.00 23.34 H new ATOM 0 HD21 ASN A 802 24.299 33.138 25.441 1.00 26.56 H new ATOM 0 HD22 ASN A 802 24.295 32.272 24.229 1.00 26.56 H new ATOM 851 N ARG A 803 22.284 28.399 27.985 1.00 25.33 N ATOM 852 CA AARG A 803 21.025 28.204 28.679 0.43 28.57 C ATOM 853 CA BARG A 803 21.034 28.176 28.681 0.57 28.88 C ATOM 854 C ARG A 803 21.229 28.733 30.073 1.00 29.19 C ATOM 855 O ARG A 803 22.249 28.460 30.700 1.00 28.33 O ATOM 856 CB AARG A 803 20.626 26.724 28.735 0.43 29.89 C ATOM 857 CB BARG A 803 20.724 26.675 28.769 0.57 30.78 C ATOM 858 CG AARG A 803 19.702 26.325 29.882 0.43 30.81 C ATOM 859 CG BARG A 803 19.458 26.299 29.531 0.57 32.01 C ATOM 860 CD AARG A 803 19.340 24.848 29.844 0.43 32.20 C ATOM 861 CD BARG A 803 19.376 24.824 29.925 0.57 34.77 C ATOM 862 NE AARG A 803 18.104 24.635 29.129 0.43 32.62 N ATOM 863 NE BARG A 803 18.014 24.563 30.336 0.57 34.37 N ATOM 864 CZ AARG A 803 16.954 24.385 29.733 0.43 30.09 C ATOM 865 CZ BARG A 803 17.575 24.069 31.487 0.57 39.09 C ATOM 866 NH1AARG A 803 16.904 24.312 31.050 0.43 32.41 N ATOM 867 NH1BARG A 803 18.382 23.633 32.462 0.57 39.40 N ATOM 868 NH2AARG A 803 15.877 24.215 29.021 0.43 24.99 N ATOM 869 NH2BARG A 803 16.250 23.964 31.627 0.57 44.45 N ATOM 0 H AARG A 803 22.972 28.229 28.473 0.43 25.33 H new ATOM 0 H BARG A 803 22.974 28.245 28.474 0.57 25.33 H new ATOM 0 HA AARG A 803 20.310 28.665 28.213 0.43 28.88 H new ATOM 0 HA BARG A 803 20.296 28.601 28.217 0.57 28.88 H new ATOM 0 HB2AARG A 803 20.193 26.492 27.898 0.43 30.78 H new ATOM 0 HB2BARG A 803 20.654 26.324 27.868 0.57 30.78 H new ATOM 0 HB3AARG A 803 21.434 26.191 28.794 0.43 30.78 H new ATOM 0 HB3BARG A 803 21.477 26.231 29.189 0.57 30.78 H new ATOM 0 HG2AARG A 803 20.132 26.529 30.727 0.43 32.01 H new ATOM 0 HG2BARG A 803 19.403 26.841 30.334 0.57 32.01 H new ATOM 0 HG3AARG A 803 18.891 26.856 29.841 0.43 32.01 H new ATOM 0 HG3BARG A 803 18.687 26.521 28.986 0.57 32.01 H new ATOM 0 HD2AARG A 803 20.054 24.348 29.418 0.43 34.77 H new ATOM 0 HD2BARG A 803 19.622 24.256 29.178 0.57 34.77 H new ATOM 0 HD3AARG A 803 19.256 24.509 30.749 0.43 34.77 H new ATOM 0 HD3BARG A 803 19.994 24.628 30.646 0.57 34.77 H new ATOM 0 HE AARG A 803 18.116 24.672 28.270 0.43 34.37 H new ATOM 0 HE BARG A 803 17.407 24.753 29.757 0.57 34.37 H new ATOM 0 HH11AARG A 803 17.619 24.427 31.514 0.43 39.40 H new ATOM 0 HH11BARG A 803 19.235 23.665 32.360 0.57 39.40 H new ATOM 0 HH12AARG A 803 16.157 24.150 31.444 0.43 39.40 H new ATOM 0 HH12BARG A 803 18.047 23.321 33.190 0.57 39.40 H new ATOM 0 HH21AARG A 803 15.916 24.265 28.163 0.43 44.45 H new ATOM 0 HH21BARG A 803 15.729 24.211 30.989 0.57 44.45 H new ATOM 0 HH22AARG A 803 15.127 24.052 29.408 0.43 44.45 H new ATOM 0 HH22BARG A 803 15.918 23.649 32.355 0.57 44.45 H new ATOM 870 N GLU A 804 20.252 29.493 30.534 1.00 32.07 N ATOM 871 CA GLU A 804 20.285 30.086 31.870 1.00 38.73 C ATOM 872 C GLU A 804 20.337 28.986 32.908 1.00 34.81 C ATOM 873 O GLU A 804 19.604 28.000 32.830 1.00 31.03 O ATOM 874 CB GLU A 804 19.057 30.973 32.089 1.00 45.44 C ATOM 875 CG GLU A 804 19.101 31.725 33.412 1.00 61.21 C ATOM 876 CD GLU A 804 17.919 32.688 33.597 1.00 75.36 C ATOM 877 OE1 GLU A 804 17.301 33.162 32.591 1.00 72.07 O ATOM 878 OE2 GLU A 804 17.606 32.964 34.777 1.00 80.19 O ATOM 0 H GLU A 804 19.545 29.684 30.083 1.00 32.07 H new ATOM 0 HA GLU A 804 21.077 30.640 31.955 1.00 38.73 H new ATOM 0 HB2 GLU A 804 18.990 31.611 31.361 1.00 45.44 H new ATOM 0 HB3 GLU A 804 18.258 30.424 32.060 1.00 45.44 H new ATOM 0 HG2 GLU A 804 19.107 31.085 34.141 1.00 61.21 H new ATOM 0 HG3 GLU A 804 19.930 32.225 33.466 1.00 61.21 H new ATOM 879 N GLY A 805 21.279 29.105 33.826 1.00 34.93 N ATOM 880 CA GLY A 805 21.433 28.116 34.892 1.00 38.07 C ATOM 881 C GLY A 805 22.250 26.858 34.588 1.00 37.93 C ATOM 882 O GLY A 805 22.442 26.024 35.487 1.00 40.78 O ATOM 0 H GLY A 805 21.845 29.752 33.855 1.00 34.93 H new ATOM 0 HA2 GLY A 805 21.840 28.559 35.653 1.00 38.07 H new ATOM 0 HA3 GLY A 805 20.546 27.836 35.168 1.00 38.07 H new ATOM 883 N SER A 806 22.756 26.720 33.359 1.00 36.32 N ATOM 884 CA SER A 806 23.647 25.612 33.005 1.00 34.03 C ATOM 885 C SER A 806 24.939 26.115 32.408 1.00 32.87 C ATOM 886 O SER A 806 24.999 27.199 31.809 1.00 31.31 O ATOM 887 CB SER A 806 22.980 24.685 31.970 1.00 34.28 C ATOM 888 OG SER A 806 21.910 23.981 32.500 1.00 36.74 O ATOM 0 H SER A 806 22.593 27.262 32.712 1.00 36.32 H new ATOM 0 HA SER A 806 23.831 25.127 33.825 1.00 34.03 H new ATOM 0 HB2 SER A 806 22.674 25.214 31.216 1.00 34.28 H new ATOM 0 HB3 SER A 806 23.638 24.059 31.629 1.00 34.28 H new ATOM 0 HG SER A 806 21.801 23.269 32.067 1.00 36.74 H new ATOM 889 N GLN A 807 25.951 25.283 32.543 1.00 30.49 N ATOM 890 CA GLN A 807 27.205 25.436 31.849 1.00 39.40 C ATOM 891 C GLN A 807 27.427 24.291 30.829 1.00 34.47 C ATOM 892 O GLN A 807 27.089 23.155 31.117 1.00 27.71 O ATOM 893 CB GLN A 807 28.337 25.416 32.871 1.00 48.18 C ATOM 894 CG GLN A 807 28.719 26.796 33.381 1.00 62.82 C ATOM 895 CD GLN A 807 29.188 27.723 32.255 1.00 74.83 C ATOM 896 OE1 GLN A 807 29.780 27.262 31.266 1.00 72.12 O ATOM 897 NE2 GLN A 807 28.900 29.034 32.383 1.00 82.08 N ATOM 0 H GLN A 807 25.925 24.594 33.057 1.00 30.49 H new ATOM 0 HA GLN A 807 27.190 26.277 31.366 1.00 39.40 H new ATOM 0 HB2 GLN A 807 28.074 24.863 33.623 1.00 48.18 H new ATOM 0 HB3 GLN A 807 29.117 25.000 32.471 1.00 48.18 H new ATOM 0 HG2 GLN A 807 27.957 27.195 33.829 1.00 62.82 H new ATOM 0 HG3 GLN A 807 29.424 26.711 34.042 1.00 62.82 H new ATOM 0 HE21 GLN A 807 28.488 29.317 33.083 1.00 82.08 H new ATOM 0 HE22 GLN A 807 29.128 29.587 31.765 1.00 82.08 H new ATOM 898 N GLY A 808 28.050 24.590 29.687 1.00 30.52 N ATOM 899 CA GLY A 808 28.337 23.552 28.683 1.00 31.58 C ATOM 900 C GLY A 808 29.307 22.458 29.207 1.00 27.61 C ATOM 901 O GLY A 808 30.086 22.733 30.102 1.00 25.13 O ATOM 0 H GLY A 808 28.314 25.380 29.472 1.00 30.52 H new ATOM 0 HA2 GLY A 808 27.505 23.136 28.408 1.00 31.58 H new ATOM 0 HA3 GLY A 808 28.721 23.968 27.895 1.00 31.58 H new ATOM 902 N PRO A 809 29.239 21.226 28.663 1.00 23.26 N ATOM 903 CA PRO A 809 30.216 20.197 29.037 1.00 23.87 C ATOM 904 C PRO A 809 31.661 20.581 28.640 1.00 23.65 C ATOM 905 O PRO A 809 31.922 21.236 27.604 1.00 23.90 O ATOM 906 CB PRO A 809 29.782 18.964 28.220 1.00 25.24 C ATOM 907 CG PRO A 809 29.212 19.554 27.008 1.00 26.31 C ATOM 908 CD PRO A 809 28.508 20.841 27.463 1.00 24.68 C ATOM 0 HA PRO A 809 30.228 20.059 29.997 1.00 23.87 H new ATOM 0 HB2 PRO A 809 30.533 18.385 28.018 1.00 25.24 H new ATOM 0 HB3 PRO A 809 29.131 18.427 28.698 1.00 25.24 H new ATOM 0 HG2 PRO A 809 29.904 19.747 26.356 1.00 26.31 H new ATOM 0 HG3 PRO A 809 28.586 18.945 26.585 1.00 26.31 H new ATOM 0 HD2 PRO A 809 28.551 21.531 26.782 1.00 24.68 H new ATOM 0 HD3 PRO A 809 27.569 20.687 27.651 1.00 24.68 H new ATOM 909 N GLN A 810 32.581 20.080 29.430 1.00 26.88 N ATOM 910 CA GLN A 810 34.022 20.229 29.167 1.00 30.48 C ATOM 911 C GLN A 810 34.439 19.611 27.884 1.00 30.19 C ATOM 912 O GLN A 810 35.360 20.129 27.235 1.00 28.73 O ATOM 913 CB GLN A 810 34.851 19.591 30.293 1.00 34.92 C ATOM 914 CG GLN A 810 34.517 20.117 31.679 1.00 43.88 C ATOM 915 CD GLN A 810 34.758 21.595 31.789 1.00 53.64 C ATOM 916 OE1 GLN A 810 35.838 22.091 31.473 1.00 65.02 O ATOM 917 NE2 GLN A 810 33.735 22.320 32.198 1.00 65.81 N ATOM 0 H GLN A 810 32.401 19.637 30.145 1.00 26.88 H new ATOM 0 HA GLN A 810 34.184 21.184 29.119 1.00 30.48 H new ATOM 0 HB2 GLN A 810 34.713 18.631 30.279 1.00 34.92 H new ATOM 0 HB3 GLN A 810 35.792 19.745 30.117 1.00 34.92 H new ATOM 0 HG2 GLN A 810 33.588 19.925 31.882 1.00 43.88 H new ATOM 0 HG3 GLN A 810 35.054 19.652 32.339 1.00 43.88 H new ATOM 0 HE21 GLN A 810 32.995 21.938 32.411 1.00 65.81 H new ATOM 0 HE22 GLN A 810 33.808 23.175 32.252 1.00 65.81 H new ATOM 918 N LYS A 811 33.799 18.483 27.504 1.00 24.68 N ATOM 919 CA LYS A 811 34.183 17.813 26.307 1.00 22.99 C ATOM 920 C LYS A 811 32.979 17.484 25.470 1.00 21.73 C ATOM 921 O LYS A 811 32.334 16.419 25.668 1.00 19.95 O ATOM 922 CB LYS A 811 34.971 16.553 26.638 1.00 27.28 C ATOM 923 CG LYS A 811 35.489 15.838 25.388 1.00 29.68 C ATOM 924 CD LYS A 811 36.383 14.663 25.796 1.00 35.24 C ATOM 925 CE LYS A 811 36.642 13.746 24.629 1.00 39.33 C ATOM 926 NZ LYS A 811 37.242 12.516 25.221 1.00 44.25 N ATOM 0 H LYS A 811 33.153 18.116 27.937 1.00 24.68 H new ATOM 0 HA LYS A 811 34.752 18.406 25.792 1.00 22.99 H new ATOM 0 HB2 LYS A 811 35.721 16.785 27.208 1.00 27.28 H new ATOM 0 HB3 LYS A 811 34.407 15.946 27.143 1.00 27.28 H new ATOM 0 HG2 LYS A 811 34.744 15.519 24.856 1.00 29.68 H new ATOM 0 HG3 LYS A 811 35.988 16.458 24.834 1.00 29.68 H new ATOM 0 HD2 LYS A 811 37.225 14.998 26.140 1.00 35.24 H new ATOM 0 HD3 LYS A 811 35.961 14.166 26.514 1.00 35.24 H new ATOM 0 HE2 LYS A 811 35.821 13.542 24.155 1.00 39.33 H new ATOM 0 HE3 LYS A 811 37.244 14.156 23.989 1.00 39.33 H new ATOM 0 HZ1 LYS A 811 37.665 12.057 24.587 1.00 44.25 H new ATOM 0 HZ2 LYS A 811 37.821 12.744 25.857 1.00 44.25 H new ATOM 0 HZ3 LYS A 811 36.599 12.011 25.573 1.00 44.25 H new ATOM 927 N PRO A 812 32.645 18.395 24.558 1.00 20.46 N ATOM 928 CA PRO A 812 31.494 18.147 23.738 1.00 21.04 C ATOM 929 C PRO A 812 31.708 16.932 22.820 1.00 21.06 C ATOM 930 O PRO A 812 32.823 16.658 22.374 1.00 21.80 O ATOM 931 CB PRO A 812 31.389 19.439 22.874 1.00 23.40 C ATOM 932 CG PRO A 812 32.087 20.494 23.694 1.00 22.08 C ATOM 933 CD PRO A 812 33.176 19.766 24.415 1.00 21.80 C ATOM 0 HA PRO A 812 30.702 17.955 24.264 1.00 21.04 H new ATOM 0 HB2 PRO A 812 31.815 19.323 22.010 1.00 23.40 H new ATOM 0 HB3 PRO A 812 30.464 19.677 22.704 1.00 23.40 H new ATOM 0 HG2 PRO A 812 32.447 21.196 23.130 1.00 22.08 H new ATOM 0 HG3 PRO A 812 31.475 20.917 24.317 1.00 22.08 H new ATOM 0 HD2 PRO A 812 34.005 19.776 23.912 1.00 21.80 H new ATOM 0 HD3 PRO A 812 33.363 20.168 25.278 1.00 21.80 H new ATOM 934 N MET A 813 30.625 16.309 22.414 1.00 18.46 N ATOM 935 CA MET A 813 30.710 15.167 21.571 1.00 16.28 C ATOM 936 C MET A 813 29.435 15.008 20.764 1.00 16.38 C ATOM 937 O MET A 813 28.377 15.339 21.209 1.00 17.96 O ATOM 938 CB MET A 813 30.963 13.927 22.466 1.00 18.26 C ATOM 939 CG MET A 813 31.388 12.672 21.641 1.00 17.86 C ATOM 940 SD MET A 813 32.698 12.751 20.420 1.00 21.79 S ATOM 941 CE MET A 813 33.963 13.379 21.496 1.00 26.18 C ATOM 0 H MET A 813 29.824 16.542 22.624 1.00 18.46 H new ATOM 0 HA MET A 813 31.439 15.268 20.939 1.00 16.28 H new ATOM 0 HB2 MET A 813 31.655 14.135 23.113 1.00 18.26 H new ATOM 0 HB3 MET A 813 30.158 13.724 22.967 1.00 18.26 H new ATOM 0 HG2 MET A 813 31.640 11.987 22.280 1.00 17.86 H new ATOM 0 HG3 MET A 813 30.594 12.354 21.182 1.00 17.86 H new ATOM 0 HE1 MET A 813 34.824 13.316 21.054 1.00 26.18 H new ATOM 0 HE2 MET A 813 33.776 14.307 21.709 1.00 26.18 H new ATOM 0 HE3 MET A 813 33.981 12.858 22.314 1.00 26.18 H new ATOM 942 N TRP A 814 29.529 14.466 19.563 1.00 18.12 N ATOM 943 CA TRP A 814 28.371 14.337 18.712 1.00 16.67 C ATOM 944 C TRP A 814 28.574 13.234 17.699 1.00 15.79 C ATOM 945 O TRP A 814 29.724 12.764 17.528 1.00 15.68 O ATOM 946 CB TRP A 814 28.028 15.711 18.048 1.00 15.22 C ATOM 947 CG TRP A 814 29.054 16.274 17.214 1.00 16.73 C ATOM 948 CD1 TRP A 814 29.121 16.225 15.844 1.00 17.76 C ATOM 949 CD2 TRP A 814 30.155 17.087 17.642 1.00 16.93 C ATOM 950 NE1 TRP A 814 30.199 16.936 15.434 1.00 18.26 N ATOM 951 CE2 TRP A 814 30.833 17.489 16.511 1.00 18.03 C ATOM 952 CE3 TRP A 814 30.627 17.493 18.890 1.00 17.57 C ATOM 953 CZ2 TRP A 814 32.002 18.269 16.557 1.00 19.68 C ATOM 954 CZ3 TRP A 814 31.788 18.282 18.959 1.00 18.41 C ATOM 955 CH2 TRP A 814 32.476 18.647 17.803 1.00 20.88 C ATOM 0 H TRP A 814 30.260 14.166 19.223 1.00 18.12 H new ATOM 0 HA TRP A 814 27.605 14.083 19.251 1.00 16.67 H new ATOM 0 HB2 TRP A 814 27.225 15.602 17.515 1.00 15.22 H new ATOM 0 HB3 TRP A 814 27.819 16.347 18.750 1.00 15.22 H new ATOM 0 HD1 TRP A 814 28.524 15.777 15.288 1.00 17.76 H new ATOM 0 HE1 TRP A 814 30.448 17.026 14.616 1.00 18.26 H new ATOM 0 HE3 TRP A 814 30.179 17.245 19.666 1.00 17.57 H new ATOM 0 HZ2 TRP A 814 32.442 18.523 15.778 1.00 19.68 H new ATOM 0 HZ3 TRP A 814 32.102 18.565 19.788 1.00 18.41 H new ATOM 0 HH2 TRP A 814 33.257 19.147 17.868 1.00 20.88 H new ATOM 956 N LEU A 815 27.471 12.735 17.115 1.00 16.27 N ATOM 957 CA LEU A 815 27.535 11.476 16.323 1.00 16.80 C ATOM 958 C LEU A 815 28.425 11.637 15.140 1.00 18.75 C ATOM 959 O LEU A 815 29.237 10.732 14.874 1.00 16.75 O ATOM 960 CB LEU A 815 26.204 10.904 15.899 1.00 17.61 C ATOM 961 CG LEU A 815 25.260 10.506 17.016 1.00 18.40 C ATOM 962 CD1 LEU A 815 23.858 10.278 16.519 1.00 18.73 C ATOM 963 CD2 LEU A 815 25.769 9.195 17.675 1.00 18.52 C ATOM 0 H LEU A 815 26.691 13.095 17.159 1.00 16.27 H new ATOM 0 HA LEU A 815 27.906 10.825 16.939 1.00 16.80 H new ATOM 0 HB2 LEU A 815 25.756 11.557 15.339 1.00 17.61 H new ATOM 0 HB3 LEU A 815 26.369 10.124 15.347 1.00 17.61 H new ATOM 0 HG LEU A 815 25.241 11.235 17.655 1.00 18.40 H new ATOM 0 HD11 LEU A 815 23.288 10.026 17.262 1.00 18.73 H new ATOM 0 HD12 LEU A 815 23.521 11.093 16.115 1.00 18.73 H new ATOM 0 HD13 LEU A 815 23.860 9.568 15.859 1.00 18.73 H new ATOM 0 HD21 LEU A 815 25.167 8.937 18.391 1.00 18.52 H new ATOM 0 HD22 LEU A 815 25.801 8.490 17.010 1.00 18.52 H new ATOM 0 HD23 LEU A 815 26.658 9.338 18.037 1.00 18.52 H new ATOM 964 N ASN A 816 28.372 12.796 14.443 1.00 19.11 N ATOM 965 CA ASN A 816 29.235 12.988 13.243 1.00 19.93 C ATOM 966 C ASN A 816 30.711 13.061 13.556 1.00 16.95 C ATOM 967 O ASN A 816 31.473 12.698 12.742 1.00 16.50 O ATOM 968 CB ASN A 816 28.852 14.197 12.333 1.00 20.05 C ATOM 969 CG ASN A 816 27.412 14.112 11.771 1.00 22.49 C ATOM 970 OD1 ASN A 816 26.816 13.031 11.647 1.00 23.85 O ATOM 971 ND2 ASN A 816 26.839 15.299 11.416 1.00 23.35 N ATOM 0 H ASN A 816 27.863 13.462 14.637 1.00 19.11 H new ATOM 0 HA ASN A 816 29.057 12.177 12.741 1.00 19.93 H new ATOM 0 HB2 ASN A 816 28.946 15.018 12.841 1.00 20.05 H new ATOM 0 HB3 ASN A 816 29.478 14.248 11.594 1.00 20.05 H new ATOM 0 HD21 ASN A 816 26.041 15.312 11.095 1.00 23.35 H new ATOM 0 HD22 ASN A 816 27.276 16.033 11.513 1.00 23.35 H new ATOM 972 N LYS A 817 31.080 13.502 14.743 1.00 16.15 N ATOM 973 CA LYS A 817 32.441 13.486 15.165 1.00 18.58 C ATOM 974 C LYS A 817 32.902 12.025 15.420 1.00 17.19 C ATOM 975 O LYS A 817 34.008 11.673 15.080 1.00 19.35 O ATOM 976 CB LYS A 817 32.614 14.308 16.443 1.00 19.70 C ATOM 977 CG LYS A 817 34.041 14.501 16.913 1.00 25.72 C ATOM 978 CD LYS A 817 33.967 15.378 18.160 1.00 30.72 C ATOM 979 CE LYS A 817 35.278 15.587 18.893 1.00 39.90 C ATOM 980 NZ LYS A 817 36.242 16.155 17.922 1.00 49.43 N ATOM 0 H LYS A 817 30.533 13.821 15.326 1.00 16.15 H new ATOM 0 HA LYS A 817 32.985 13.877 14.463 1.00 18.58 H new ATOM 0 HB2 LYS A 817 32.217 15.182 16.302 1.00 19.70 H new ATOM 0 HB3 LYS A 817 32.112 13.879 17.154 1.00 19.70 H new ATOM 0 HG2 LYS A 817 34.457 13.648 17.114 1.00 25.72 H new ATOM 0 HG3 LYS A 817 34.578 14.923 16.224 1.00 25.72 H new ATOM 0 HD2 LYS A 817 33.616 16.245 17.905 1.00 30.72 H new ATOM 0 HD3 LYS A 817 33.330 14.983 18.776 1.00 30.72 H new ATOM 0 HE2 LYS A 817 35.157 16.187 19.645 1.00 39.90 H new ATOM 0 HE3 LYS A 817 35.607 14.747 19.250 1.00 39.90 H new ATOM 0 HZ1 LYS A 817 36.948 16.476 18.358 1.00 49.43 H new ATOM 0 HZ2 LYS A 817 36.506 15.519 17.358 1.00 49.43 H new ATOM 0 HZ3 LYS A 817 35.852 16.812 17.466 1.00 49.43 H new ATOM 981 N VAL A 818 32.057 11.236 15.969 1.00 14.91 N ATOM 982 CA VAL A 818 32.352 9.740 16.206 1.00 17.41 C ATOM 983 C VAL A 818 32.425 9.050 14.859 1.00 17.55 C ATOM 984 O VAL A 818 33.341 8.267 14.581 1.00 16.48 O ATOM 985 CB VAL A 818 31.320 9.064 17.117 1.00 16.15 C ATOM 986 CG1 VAL A 818 31.547 7.532 17.262 1.00 16.44 C ATOM 987 CG2 VAL A 818 31.350 9.688 18.490 1.00 17.80 C ATOM 0 H VAL A 818 31.279 11.486 16.238 1.00 14.91 H new ATOM 0 HA VAL A 818 33.199 9.664 16.672 1.00 17.41 H new ATOM 0 HB VAL A 818 30.457 9.198 16.696 1.00 16.15 H new ATOM 0 HG11 VAL A 818 30.869 7.158 17.846 1.00 16.44 H new ATOM 0 HG12 VAL A 818 31.489 7.112 16.390 1.00 16.44 H new ATOM 0 HG13 VAL A 818 32.425 7.369 17.641 1.00 16.44 H new ATOM 0 HG21 VAL A 818 30.694 9.254 19.058 1.00 17.80 H new ATOM 0 HG22 VAL A 818 32.233 9.579 18.876 1.00 17.80 H new ATOM 0 HG23 VAL A 818 31.142 10.633 18.421 1.00 17.80 H new ATOM 988 N LYS A 819 31.519 9.419 13.964 1.00 16.75 N ATOM 989 CA LYS A 819 31.619 8.939 12.565 1.00 18.00 C ATOM 990 C LYS A 819 32.998 9.223 11.917 1.00 18.25 C ATOM 991 O LYS A 819 33.679 8.341 11.380 1.00 17.84 O ATOM 992 CB LYS A 819 30.478 9.486 11.707 1.00 18.99 C ATOM 993 CG LYS A 819 30.469 8.893 10.324 1.00 22.23 C ATOM 994 CD LYS A 819 29.322 9.339 9.445 1.00 27.48 C ATOM 995 CE LYS A 819 28.049 8.620 9.829 1.00 29.09 C ATOM 996 NZ LYS A 819 26.979 8.810 8.802 1.00 35.64 N ATOM 0 H LYS A 819 30.849 9.934 14.127 1.00 16.75 H new ATOM 0 HA LYS A 819 31.534 7.974 12.605 1.00 18.00 H new ATOM 0 HB2 LYS A 819 29.631 9.300 12.142 1.00 18.99 H new ATOM 0 HB3 LYS A 819 30.558 10.451 11.643 1.00 18.99 H new ATOM 0 HG2 LYS A 819 31.303 9.120 9.884 1.00 22.23 H new ATOM 0 HG3 LYS A 819 30.443 7.926 10.401 1.00 22.23 H new ATOM 0 HD2 LYS A 819 29.197 10.297 9.529 1.00 27.48 H new ATOM 0 HD3 LYS A 819 29.532 9.161 8.515 1.00 27.48 H new ATOM 0 HE2 LYS A 819 28.231 7.673 9.937 1.00 29.09 H new ATOM 0 HE3 LYS A 819 27.737 8.948 10.687 1.00 29.09 H new ATOM 0 HZ1 LYS A 819 26.286 8.286 8.994 1.00 35.64 H new ATOM 0 HZ2 LYS A 819 26.716 9.660 8.801 1.00 35.64 H new ATOM 0 HZ3 LYS A 819 27.297 8.597 7.999 1.00 35.64 H new ATOM 997 N THR A 820 33.434 10.464 11.990 1.00 20.36 N ATOM 998 CA THR A 820 34.723 10.829 11.436 1.00 19.33 C ATOM 999 C THR A 820 35.863 10.125 12.132 1.00 18.69 C ATOM 1000 O THR A 820 36.807 9.687 11.494 1.00 18.96 O ATOM 1001 CB THR A 820 34.857 12.345 11.519 1.00 20.72 C ATOM 1002 OG1 THR A 820 33.940 12.862 10.581 1.00 21.50 O ATOM 1003 CG2 THR A 820 36.265 12.793 11.139 1.00 26.74 C ATOM 0 H THR A 820 33.001 11.111 12.355 1.00 20.36 H new ATOM 0 HA THR A 820 34.771 10.544 10.510 1.00 19.33 H new ATOM 0 HB THR A 820 34.685 12.656 12.421 1.00 20.72 H new ATOM 0 HG1 THR A 820 33.974 13.701 10.589 1.00 21.50 H new ATOM 0 HG21 THR A 820 36.325 13.759 11.199 1.00 26.74 H new ATOM 0 HG22 THR A 820 36.907 12.391 11.745 1.00 26.74 H new ATOM 0 HG23 THR A 820 36.460 12.514 10.231 1.00 26.74 H new ATOM 1004 N SER A 821 35.763 10.025 13.448 1.00 19.91 N ATOM 1005 CA SER A 821 36.760 9.327 14.207 1.00 20.89 C ATOM 1006 C SER A 821 36.948 7.874 13.793 1.00 20.12 C ATOM 1007 O SER A 821 38.102 7.399 13.694 1.00 19.74 O ATOM 1008 CB SER A 821 36.534 9.448 15.729 1.00 20.49 C ATOM 1009 OG SER A 821 36.697 10.814 16.131 1.00 24.27 O ATOM 0 H SER A 821 35.121 10.358 13.914 1.00 19.91 H new ATOM 0 HA SER A 821 37.592 9.778 13.993 1.00 20.89 H new ATOM 0 HB2 SER A 821 35.644 9.137 15.959 1.00 20.49 H new ATOM 0 HB3 SER A 821 37.163 8.884 16.205 1.00 20.49 H new ATOM 0 HG SER A 821 36.014 11.253 15.915 1.00 24.27 H new ATOM 1010 N LEU A 822 35.839 7.186 13.587 1.00 17.70 N ATOM 1011 CA LEU A 822 35.885 5.835 13.092 1.00 20.96 C ATOM 1012 C LEU A 822 36.463 5.757 11.731 1.00 24.18 C ATOM 1013 O LEU A 822 37.273 4.857 11.447 1.00 22.93 O ATOM 1014 CB LEU A 822 34.499 5.224 13.047 1.00 18.88 C ATOM 1015 CG LEU A 822 34.035 4.559 14.257 1.00 20.85 C ATOM 1016 CD1 LEU A 822 32.536 4.198 14.056 1.00 21.70 C ATOM 1017 CD2 LEU A 822 34.833 3.264 14.555 1.00 20.48 C ATOM 0 H LEU A 822 35.047 7.490 13.730 1.00 17.70 H new ATOM 0 HA LEU A 822 36.451 5.344 13.708 1.00 20.96 H new ATOM 0 HB2 LEU A 822 33.866 5.925 12.826 1.00 18.88 H new ATOM 0 HB3 LEU A 822 34.475 4.581 12.321 1.00 18.88 H new ATOM 0 HG LEU A 822 34.163 5.158 15.009 1.00 20.85 H new ATOM 0 HD11 LEU A 822 32.201 3.753 14.850 1.00 21.70 H new ATOM 0 HD12 LEU A 822 32.026 5.008 13.901 1.00 21.70 H new ATOM 0 HD13 LEU A 822 32.445 3.608 13.292 1.00 21.70 H new ATOM 0 HD21 LEU A 822 34.494 2.854 15.366 1.00 20.48 H new ATOM 0 HD22 LEU A 822 34.734 2.645 13.814 1.00 20.48 H new ATOM 0 HD23 LEU A 822 35.771 3.481 14.671 1.00 20.48 H new ATOM 1018 N ASN A 823 36.068 6.702 10.872 1.00 25.62 N ATOM 1019 CA ASN A 823 36.554 6.711 9.489 1.00 27.71 C ATOM 1020 C ASN A 823 38.074 6.920 9.389 1.00 28.09 C ATOM 1021 O ASN A 823 38.710 6.285 8.547 1.00 27.02 O ATOM 1022 CB ASN A 823 35.848 7.807 8.691 1.00 31.34 C ATOM 1023 CG ASN A 823 36.259 7.822 7.230 1.00 36.66 C ATOM 1024 OD1 ASN A 823 36.814 8.808 6.717 1.00 42.55 O ATOM 1025 ND2 ASN A 823 36.026 6.735 6.571 1.00 32.64 N ATOM 0 H ASN A 823 35.525 7.340 11.068 1.00 25.62 H new ATOM 0 HA ASN A 823 36.352 5.836 9.121 1.00 27.71 H new ATOM 0 HB2 ASN A 823 34.888 7.680 8.752 1.00 31.34 H new ATOM 0 HB3 ASN A 823 36.046 8.670 9.088 1.00 31.34 H new ATOM 0 HD21 ASN A 823 36.257 6.675 5.745 1.00 32.64 H new ATOM 0 HD22 ASN A 823 35.640 6.072 6.959 1.00 32.64 H new ATOM 1026 N GLU A 824 38.631 7.772 10.272 1.00 25.01 N ATOM 1027 CA GLU A 824 40.021 8.131 10.284 1.00 26.12 C ATOM 1028 C GLU A 824 40.821 7.153 11.199 1.00 26.93 C ATOM 1029 O GLU A 824 41.961 7.397 11.467 1.00 27.04 O ATOM 1030 CB GLU A 824 40.177 9.596 10.688 1.00 32.36 C ATOM 1031 CG GLU A 824 39.739 10.509 9.521 1.00 40.00 C ATOM 1032 CD GLU A 824 39.599 12.027 9.847 1.00 59.42 C ATOM 1033 OE1 GLU A 824 39.953 12.460 10.975 1.00 63.59 O ATOM 1034 OE2 GLU A 824 39.133 12.834 8.959 1.00 69.22 O ATOM 0 H GLU A 824 38.177 8.158 10.892 1.00 25.01 H new ATOM 0 HA GLU A 824 40.395 8.044 9.393 1.00 26.12 H new ATOM 0 HB2 GLU A 824 39.641 9.782 11.475 1.00 32.36 H new ATOM 0 HB3 GLU A 824 41.100 9.779 10.924 1.00 32.36 H new ATOM 0 HG2 GLU A 824 40.380 10.410 8.800 1.00 40.00 H new ATOM 0 HG3 GLU A 824 38.886 10.189 9.188 1.00 40.00 H new ATOM 1035 N GLN A 825 40.208 6.033 11.592 1.00 24.54 N ATOM 1036 CA GLN A 825 40.833 5.021 12.491 1.00 25.44 C ATOM 1037 C GLN A 825 41.516 5.610 13.707 1.00 25.09 C ATOM 1038 O GLN A 825 42.647 5.254 13.992 1.00 23.86 O ATOM 1039 CB GLN A 825 41.815 4.178 11.701 1.00 27.55 C ATOM 1040 CG GLN A 825 41.159 3.508 10.506 1.00 31.69 C ATOM 1041 CD GLN A 825 42.115 3.059 9.432 1.00 30.33 C ATOM 1042 OE1 GLN A 825 42.919 3.839 8.925 1.00 32.59 O ATOM 1043 NE2 GLN A 825 41.985 1.803 9.040 1.00 31.10 N ATOM 0 H GLN A 825 39.410 5.827 11.348 1.00 24.54 H new ATOM 0 HA GLN A 825 40.108 4.475 12.833 1.00 25.44 H new ATOM 0 HB2 GLN A 825 42.547 4.737 11.396 1.00 27.55 H new ATOM 0 HB3 GLN A 825 42.198 3.501 12.280 1.00 27.55 H new ATOM 0 HG2 GLN A 825 40.657 2.739 10.817 1.00 31.69 H new ATOM 0 HG3 GLN A 825 40.520 4.124 10.116 1.00 31.69 H new ATOM 0 HE21 GLN A 825 41.410 1.291 9.422 1.00 31.10 H new ATOM 0 HE22 GLN A 825 42.476 1.498 8.403 1.00 31.10 H new ATOM 1044 N MET A 826 40.814 6.457 14.442 1.00 21.79 N ATOM 1045 CA AMET A 826 41.360 7.113 15.619 0.53 22.63 C ATOM 1046 CA BMET A 826 41.350 7.147 15.612 0.47 23.39 C ATOM 1047 C MET A 826 41.147 6.312 16.867 1.00 23.06 C ATOM 1048 O MET A 826 41.789 6.550 17.822 1.00 24.84 O ATOM 1049 CB AMET A 826 40.731 8.494 15.847 0.53 25.45 C ATOM 1050 CB BMET A 826 40.721 8.561 15.838 0.47 27.39 C ATOM 1051 CG AMET A 826 40.950 9.479 14.720 0.53 28.54 C ATOM 1052 CG BMET A 826 40.772 9.571 14.675 0.47 32.07 C ATOM 1053 SD AMET A 826 42.661 9.992 14.499 0.53 32.36 S ATOM 1054 SD BMET A 826 40.386 11.313 15.127 0.47 40.18 S ATOM 1055 CE AMET A 826 43.177 10.472 16.148 0.53 32.01 C ATOM 1056 CE BMET A 826 39.693 11.975 13.633 0.47 35.56 C ATOM 0 H AMET A 826 39.999 6.670 14.271 0.53 21.79 H new ATOM 0 H BMET A 826 39.994 6.654 14.274 0.47 21.79 H new ATOM 0 HA AMET A 826 42.310 7.201 15.443 0.53 23.39 H new ATOM 0 HA BMET A 826 42.296 7.270 15.436 0.47 23.39 H new ATOM 0 HB2AMET A 826 39.777 8.383 15.983 0.53 27.39 H new ATOM 0 HB2BMET A 826 39.791 8.437 16.083 0.47 27.39 H new ATOM 0 HB3AMET A 826 41.093 8.870 16.665 0.53 27.39 H new ATOM 0 HB3BMET A 826 41.163 8.964 16.601 0.47 27.39 H new ATOM 0 HG2AMET A 826 40.634 9.083 13.893 0.53 32.07 H new ATOM 0 HG2BMET A 826 41.658 9.544 14.281 0.47 32.07 H new ATOM 0 HG3AMET A 826 40.407 10.266 14.883 0.53 32.07 H new ATOM 0 HG3BMET A 826 40.148 9.284 13.990 0.47 32.07 H new ATOM 0 HE1AMET A 826 43.851 11.167 16.087 0.53 35.56 H new ATOM 0 HE1BMET A 826 38.964 12.576 13.853 0.47 35.56 H new ATOM 0 HE2AMET A 826 42.412 10.806 16.642 0.53 35.56 H new ATOM 0 HE2BMET A 826 40.377 12.462 13.147 0.47 35.56 H new ATOM 0 HE3AMET A 826 43.548 9.703 16.608 0.53 35.56 H new ATOM 0 HE3BMET A 826 39.359 11.250 13.082 0.47 35.56 H new ATOM 1057 N TYR A 827 40.245 5.346 16.883 1.00 21.00 N ATOM 1058 CA TYR A 827 40.142 4.513 18.061 1.00 22.09 C ATOM 1059 C TYR A 827 41.049 3.290 17.932 1.00 23.30 C ATOM 1060 O TYR A 827 41.026 2.601 16.925 1.00 23.66 O ATOM 1061 CB TYR A 827 38.688 4.033 18.332 1.00 21.13 C ATOM 1062 CG TYR A 827 37.675 5.179 18.401 1.00 17.30 C ATOM 1063 CD1 TYR A 827 37.742 6.102 19.419 1.00 15.78 C ATOM 1064 CD2 TYR A 827 36.730 5.385 17.377 1.00 16.46 C ATOM 1065 CE1 TYR A 827 36.858 7.156 19.481 1.00 17.51 C ATOM 1066 CE2 TYR A 827 35.825 6.421 17.433 1.00 17.11 C ATOM 1067 CZ TYR A 827 35.884 7.323 18.511 1.00 17.54 C ATOM 1068 OH TYR A 827 34.985 8.417 18.624 1.00 17.43 O ATOM 0 H TYR A 827 39.700 5.161 16.244 1.00 21.00 H new ATOM 0 HA TYR A 827 40.421 5.064 18.809 1.00 22.09 H new ATOM 0 HB2 TYR A 827 38.422 3.416 17.632 1.00 21.13 H new ATOM 0 HB3 TYR A 827 38.667 3.540 19.167 1.00 21.13 H new ATOM 0 HD1 TYR A 827 38.395 6.013 20.076 1.00 15.78 H new ATOM 0 HD2 TYR A 827 36.717 4.809 16.647 1.00 16.46 H new ATOM 0 HE1 TYR A 827 36.916 7.763 20.183 1.00 17.51 H new ATOM 0 HE2 TYR A 827 35.184 6.523 16.767 1.00 17.11 H new ATOM 0 HH TYR A 827 34.965 8.682 19.421 1.00 17.43 H new ATOM 1069 N THR A 828 41.780 2.969 19.000 1.00 22.95 N ATOM 1070 CA THR A 828 42.589 1.731 19.036 1.00 21.10 C ATOM 1071 C THR A 828 41.930 0.591 19.735 1.00 18.30 C ATOM 1072 O THR A 828 42.267 -0.578 19.502 1.00 19.14 O ATOM 1073 CB THR A 828 43.924 2.013 19.689 1.00 24.67 C ATOM 1074 OG1 THR A 828 43.717 2.509 21.020 1.00 22.60 O ATOM 1075 CG2 THR A 828 44.669 3.009 18.864 1.00 26.04 C ATOM 0 H THR A 828 41.826 3.447 19.714 1.00 22.95 H new ATOM 0 HA THR A 828 42.701 1.458 18.112 1.00 21.10 H new ATOM 0 HB THR A 828 44.445 1.197 19.745 1.00 24.67 H new ATOM 0 HG1 THR A 828 44.186 2.068 21.560 1.00 22.60 H new ATOM 0 HG21 THR A 828 45.527 3.195 19.277 1.00 26.04 H new ATOM 0 HG22 THR A 828 44.810 2.651 17.974 1.00 26.04 H new ATOM 0 HG23 THR A 828 44.155 3.829 18.804 1.00 26.04 H new ATOM 1076 N ARG A 829 40.946 0.906 20.586 1.00 18.96 N ATOM 1077 CA AARG A 829 40.165 -0.102 21.282 0.23 18.59 C ATOM 1078 CA BARG A 829 40.161 -0.089 21.293 0.77 19.06 C ATOM 1079 C ARG A 829 38.682 0.254 21.250 1.00 18.32 C ATOM 1080 O ARG A 829 38.323 1.431 21.095 1.00 15.87 O ATOM 1081 CB AARG A 829 40.667 -0.252 22.726 0.23 19.77 C ATOM 1082 CB BARG A 829 40.623 -0.154 22.751 0.77 21.62 C ATOM 1083 CG AARG A 829 42.091 -0.808 22.788 0.23 20.54 C ATOM 1084 CG BARG A 829 42.010 -0.794 22.865 0.77 24.14 C ATOM 1085 CD AARG A 829 42.599 -1.110 24.188 0.23 20.90 C ATOM 1086 CD BARG A 829 42.450 -1.030 24.289 0.77 24.47 C ATOM 1087 NE AARG A 829 43.702 -2.077 24.102 0.23 21.70 N ATOM 1088 NE BARG A 829 43.927 -1.162 24.319 0.77 26.40 N ATOM 1089 CZ AARG A 829 44.976 -1.784 23.833 0.23 21.58 C ATOM 1090 CZ BARG A 829 44.644 -2.292 24.314 0.77 30.13 C ATOM 1091 NH1AARG A 829 45.362 -0.539 23.684 0.23 20.72 N ATOM 1092 NH1BARG A 829 44.066 -3.543 24.321 0.77 26.37 N ATOM 1093 NH2AARG A 829 45.879 -2.752 23.744 0.23 22.16 N ATOM 1094 NH2BARG A 829 45.992 -2.164 24.321 0.77 29.30 N ATOM 0 H AARG A 829 40.718 1.714 20.771 0.23 18.96 H new ATOM 0 H BARG A 829 40.720 1.716 20.765 0.77 18.96 H new ATOM 0 HA AARG A 829 40.276 -0.953 20.830 0.23 19.06 H new ATOM 0 HA BARG A 829 40.291 -0.948 20.861 0.77 19.06 H new ATOM 0 HB2AARG A 829 40.639 0.611 23.168 0.23 21.62 H new ATOM 0 HB2BARG A 829 40.645 0.740 23.126 0.77 21.62 H new ATOM 0 HB3AARG A 829 40.070 -0.840 23.215 0.23 21.62 H new ATOM 0 HB3BARG A 829 39.984 -0.665 23.273 0.77 21.62 H new ATOM 0 HG2AARG A 829 42.130 -1.622 22.261 0.23 24.14 H new ATOM 0 HG2BARG A 829 42.008 -1.640 22.391 0.77 24.14 H new ATOM 0 HG3AARG A 829 42.692 -0.171 22.370 0.23 24.14 H new ATOM 0 HG3BARG A 829 42.659 -0.223 22.424 0.77 24.14 H new ATOM 0 HD2AARG A 829 42.902 -0.294 24.617 0.23 24.47 H new ATOM 0 HD2BARG A 829 42.167 -0.294 24.854 0.77 24.47 H new ATOM 0 HD3AARG A 829 41.882 -1.468 24.734 0.23 24.47 H new ATOM 0 HD3BARG A 829 42.034 -1.833 24.640 0.77 24.47 H new ATOM 0 HE AARG A 829 43.510 -2.904 24.237 0.23 26.40 H new ATOM 0 HE BARG A 829 44.374 -0.428 24.342 0.77 26.40 H new ATOM 0 HH11AARG A 829 44.791 0.100 23.760 0.23 26.37 H new ATOM 0 HH11BARG A 829 43.210 -3.621 24.329 0.77 26.37 H new ATOM 0 HH12AARG A 829 46.186 -0.362 23.511 0.23 26.37 H new ATOM 0 HH12BARG A 829 44.562 -4.246 24.317 0.77 26.37 H new ATOM 0 HH21AARG A 829 45.644 -3.571 23.860 0.23 29.30 H new ATOM 0 HH21BARG A 829 46.350 -1.382 24.328 0.77 29.30 H new ATOM 0 HH22AARG A 829 46.699 -2.560 23.571 0.23 29.30 H new ATOM 0 HH22BARG A 829 46.490 -2.865 24.318 0.77 29.30 H new ATOM 1095 N VAL A 830 37.865 -0.768 21.396 1.00 15.91 N ATOM 1096 CA VAL A 830 36.413 -0.597 21.508 1.00 16.14 C ATOM 1097 C VAL A 830 36.011 0.419 22.587 1.00 18.97 C ATOM 1098 O VAL A 830 35.120 1.286 22.358 1.00 18.53 O ATOM 1099 CB VAL A 830 35.726 -1.930 21.711 1.00 14.15 C ATOM 1100 CG1 VAL A 830 34.211 -1.741 22.015 1.00 15.82 C ATOM 1101 CG2 VAL A 830 35.871 -2.763 20.462 1.00 15.42 C ATOM 0 H VAL A 830 38.127 -1.586 21.434 1.00 15.91 H new ATOM 0 HA VAL A 830 36.109 -0.225 20.665 1.00 16.14 H new ATOM 0 HB VAL A 830 36.143 -2.373 22.466 1.00 14.15 H new ATOM 0 HG11 VAL A 830 33.795 -2.608 22.141 1.00 15.82 H new ATOM 0 HG12 VAL A 830 34.106 -1.213 22.822 1.00 15.82 H new ATOM 0 HG13 VAL A 830 33.786 -1.284 21.272 1.00 15.82 H new ATOM 0 HG21 VAL A 830 35.431 -3.618 20.590 1.00 15.42 H new ATOM 0 HG22 VAL A 830 35.463 -2.299 19.714 1.00 15.42 H new ATOM 0 HG23 VAL A 830 36.812 -2.908 20.277 1.00 15.42 H new ATOM 1102 N GLU A 831 36.635 0.301 23.764 1.00 16.67 N ATOM 1103 CA GLU A 831 36.503 1.272 24.783 1.00 20.53 C ATOM 1104 C GLU A 831 36.457 2.779 24.307 1.00 18.61 C ATOM 1105 O GLU A 831 35.692 3.539 24.821 1.00 18.57 O ATOM 1106 CB GLU A 831 37.690 1.111 25.715 1.00 25.31 C ATOM 1107 CG GLU A 831 37.610 1.875 26.979 1.00 36.81 C ATOM 1108 CD GLU A 831 38.779 1.494 27.899 1.00 47.01 C ATOM 1109 OE1 GLU A 831 39.956 1.435 27.398 1.00 48.66 O ATOM 1110 OE2 GLU A 831 38.474 1.206 29.083 1.00 53.88 O ATOM 0 H GLU A 831 37.145 -0.360 23.970 1.00 16.67 H new ATOM 0 HA GLU A 831 35.642 1.109 25.198 1.00 20.53 H new ATOM 0 HB2 GLU A 831 37.789 0.170 25.929 1.00 25.31 H new ATOM 0 HB3 GLU A 831 38.493 1.380 25.242 1.00 25.31 H new ATOM 0 HG2 GLU A 831 37.633 2.827 26.792 1.00 36.81 H new ATOM 0 HG3 GLU A 831 36.767 1.693 27.423 1.00 36.81 H new ATOM 1111 N GLY A 832 37.314 3.185 23.400 1.00 19.44 N ATOM 1112 CA GLY A 832 37.399 4.594 22.949 1.00 19.81 C ATOM 1113 C GLY A 832 36.115 5.018 22.298 1.00 19.89 C ATOM 1114 O GLY A 832 35.643 6.117 22.508 1.00 16.35 O ATOM 0 H GLY A 832 37.876 2.662 23.013 1.00 19.44 H new ATOM 0 HA2 GLY A 832 37.590 5.170 23.706 1.00 19.81 H new ATOM 0 HA3 GLY A 832 38.133 4.695 22.323 1.00 19.81 H new ATOM 1115 N PHE A 833 35.581 4.131 21.477 1.00 17.33 N ATOM 1116 CA PHE A 833 34.377 4.399 20.738 1.00 18.09 C ATOM 1117 C PHE A 833 33.194 4.446 21.729 1.00 16.98 C ATOM 1118 O PHE A 833 32.391 5.380 21.725 1.00 14.91 O ATOM 1119 CB PHE A 833 34.168 3.305 19.616 1.00 18.35 C ATOM 1120 CG PHE A 833 32.771 3.238 19.071 1.00 17.68 C ATOM 1121 CD1 PHE A 833 32.356 4.183 18.100 1.00 17.61 C ATOM 1122 CD2 PHE A 833 31.856 2.259 19.502 1.00 17.45 C ATOM 1123 CE1 PHE A 833 31.033 4.212 17.643 1.00 17.44 C ATOM 1124 CE2 PHE A 833 30.530 2.263 19.012 1.00 18.16 C ATOM 1125 CZ PHE A 833 30.127 3.258 18.066 1.00 18.79 C ATOM 0 H PHE A 833 35.914 3.351 21.336 1.00 17.33 H new ATOM 0 HA PHE A 833 34.439 5.256 20.287 1.00 18.09 H new ATOM 0 HB2 PHE A 833 34.781 3.485 18.886 1.00 18.35 H new ATOM 0 HB3 PHE A 833 34.405 2.437 19.978 1.00 18.35 H new ATOM 0 HD1 PHE A 833 32.971 4.793 17.761 1.00 17.61 H new ATOM 0 HD2 PHE A 833 32.124 1.608 20.110 1.00 17.45 H new ATOM 0 HE1 PHE A 833 30.762 4.877 17.052 1.00 17.44 H new ATOM 0 HE2 PHE A 833 29.922 1.622 19.303 1.00 18.16 H new ATOM 0 HZ PHE A 833 29.257 3.263 17.737 1.00 18.79 H new ATOM 1126 N VAL A 834 33.102 3.448 22.596 1.00 15.92 N ATOM 1127 CA VAL A 834 32.020 3.323 23.555 1.00 16.76 C ATOM 1128 C VAL A 834 32.056 4.505 24.550 1.00 18.23 C ATOM 1129 O VAL A 834 30.996 5.033 24.876 1.00 13.66 O ATOM 1130 CB VAL A 834 32.003 1.961 24.318 1.00 17.25 C ATOM 1131 CG1 VAL A 834 30.990 1.968 25.454 1.00 17.03 C ATOM 1132 CG2 VAL A 834 31.684 0.826 23.333 1.00 15.95 C ATOM 0 H VAL A 834 33.679 2.812 22.643 1.00 15.92 H new ATOM 0 HA VAL A 834 31.197 3.346 23.043 1.00 16.76 H new ATOM 0 HB VAL A 834 32.880 1.820 24.708 1.00 17.25 H new ATOM 0 HG11 VAL A 834 31.005 1.110 25.906 1.00 17.03 H new ATOM 0 HG12 VAL A 834 31.216 2.669 26.085 1.00 17.03 H new ATOM 0 HG13 VAL A 834 30.103 2.129 25.096 1.00 17.03 H new ATOM 0 HG21 VAL A 834 31.673 -0.020 23.807 1.00 15.95 H new ATOM 0 HG22 VAL A 834 30.815 0.981 22.930 1.00 15.95 H new ATOM 0 HG23 VAL A 834 32.362 0.799 22.639 1.00 15.95 H new ATOM 1133 N GLN A 835 33.237 4.970 24.927 1.00 16.22 N ATOM 1134 CA GLN A 835 33.312 6.146 25.853 1.00 17.60 C ATOM 1135 C GLN A 835 32.776 7.451 25.191 1.00 17.67 C ATOM 1136 O GLN A 835 32.013 8.166 25.793 1.00 17.32 O ATOM 1137 CB GLN A 835 34.740 6.426 26.338 1.00 19.37 C ATOM 1138 CG GLN A 835 35.128 5.371 27.402 1.00 23.99 C ATOM 1139 CD GLN A 835 36.619 5.363 27.804 1.00 28.26 C ATOM 1140 OE1 GLN A 835 37.476 5.866 27.091 1.00 26.89 O ATOM 1141 NE2 GLN A 835 36.906 4.778 28.981 1.00 34.94 N ATOM 0 H GLN A 835 33.995 4.647 24.680 1.00 16.22 H new ATOM 0 HA GLN A 835 32.754 5.902 26.608 1.00 17.60 H new ATOM 0 HB2 GLN A 835 35.359 6.393 25.592 1.00 19.37 H new ATOM 0 HB3 GLN A 835 34.797 7.318 26.715 1.00 19.37 H new ATOM 0 HG2 GLN A 835 34.594 5.523 28.197 1.00 23.99 H new ATOM 0 HG3 GLN A 835 34.893 4.492 27.066 1.00 23.99 H new ATOM 0 HE21 GLN A 835 36.276 4.435 29.455 1.00 34.94 H new ATOM 0 HE22 GLN A 835 37.719 4.747 29.259 1.00 34.94 H new ATOM 1142 N ASP A 836 33.151 7.699 23.962 1.00 18.03 N ATOM 1143 CA ASP A 836 32.634 8.862 23.188 1.00 16.55 C ATOM 1144 C ASP A 836 31.131 8.759 23.019 1.00 16.13 C ATOM 1145 O ASP A 836 30.459 9.710 23.242 1.00 13.95 O ATOM 1146 CB ASP A 836 33.311 8.968 21.838 1.00 16.96 C ATOM 1147 CG ASP A 836 34.707 9.655 21.925 1.00 21.38 C ATOM 1148 OD1 ASP A 836 35.083 10.094 23.050 1.00 21.16 O ATOM 1149 OD2 ASP A 836 35.394 9.702 20.856 1.00 19.59 O ATOM 0 H ASP A 836 33.713 7.212 23.529 1.00 18.03 H new ATOM 0 HA ASP A 836 32.838 9.668 23.688 1.00 16.55 H new ATOM 0 HB2 ASP A 836 33.413 8.081 21.460 1.00 16.96 H new ATOM 0 HB3 ASP A 836 32.743 9.471 21.233 1.00 16.96 H new ATOM 1150 N MET A 837 30.595 7.625 22.583 1.00 14.62 N ATOM 1151 CA MET A 837 29.136 7.447 22.505 1.00 13.31 C ATOM 1152 C MET A 837 28.421 7.735 23.809 1.00 15.12 C ATOM 1153 O MET A 837 27.404 8.488 23.834 1.00 15.27 O ATOM 1154 CB MET A 837 28.787 6.066 21.984 1.00 13.77 C ATOM 1155 CG MET A 837 29.205 5.784 20.551 1.00 15.00 C ATOM 1156 SD MET A 837 28.423 6.836 19.288 1.00 16.45 S ATOM 1157 CE MET A 837 26.795 6.071 19.239 1.00 16.35 C ATOM 0 H MET A 837 31.052 6.943 22.326 1.00 14.62 H new ATOM 0 HA MET A 837 28.816 8.110 21.874 1.00 13.31 H new ATOM 0 HB2 MET A 837 29.201 5.405 22.561 1.00 13.77 H new ATOM 0 HB3 MET A 837 27.827 5.943 22.055 1.00 13.77 H new ATOM 0 HG2 MET A 837 30.167 5.886 20.485 1.00 15.00 H new ATOM 0 HG3 MET A 837 29.004 4.857 20.348 1.00 15.00 H new ATOM 0 HE1 MET A 837 26.288 6.436 18.497 1.00 16.35 H new ATOM 0 HE2 MET A 837 26.891 5.113 19.124 1.00 16.35 H new ATOM 0 HE3 MET A 837 26.327 6.252 20.069 1.00 16.35 H new ATOM 1158 N ARG A 838 28.886 7.142 24.925 1.00 13.74 N ATOM 1159 CA ARG A 838 28.214 7.332 26.162 1.00 14.66 C ATOM 1160 C ARG A 838 28.314 8.783 26.632 1.00 15.08 C ATOM 1161 O ARG A 838 27.390 9.314 27.305 1.00 14.89 O ATOM 1162 CB ARG A 838 28.781 6.395 27.273 1.00 15.28 C ATOM 1163 CG ARG A 838 28.282 4.951 27.069 1.00 15.65 C ATOM 1164 CD ARG A 838 28.912 3.941 28.001 1.00 15.11 C ATOM 1165 NE ARG A 838 28.219 2.663 27.875 1.00 16.50 N ATOM 1166 CZ ARG A 838 28.682 1.494 28.344 1.00 21.15 C ATOM 1167 NH1 ARG A 838 29.871 1.428 28.925 1.00 20.11 N ATOM 1168 NH2 ARG A 838 27.968 0.385 28.177 1.00 21.56 N ATOM 0 H ARG A 838 29.582 6.638 24.960 1.00 13.74 H new ATOM 0 HA ARG A 838 27.282 7.110 26.008 1.00 14.66 H new ATOM 0 HB2 ARG A 838 29.751 6.413 27.255 1.00 15.28 H new ATOM 0 HB3 ARG A 838 28.507 6.717 28.146 1.00 15.28 H new ATOM 0 HG2 ARG A 838 27.320 4.932 27.190 1.00 15.65 H new ATOM 0 HG3 ARG A 838 28.458 4.685 26.153 1.00 15.65 H new ATOM 0 HD2 ARG A 838 29.852 3.832 27.788 1.00 15.11 H new ATOM 0 HD3 ARG A 838 28.863 4.257 28.917 1.00 15.11 H new ATOM 0 HE ARG A 838 27.460 2.659 27.471 1.00 16.50 H new ATOM 0 HH11 ARG A 838 30.351 2.137 29.003 1.00 20.11 H new ATOM 0 HH12 ARG A 838 30.162 0.676 29.224 1.00 20.11 H new ATOM 0 HH21 ARG A 838 27.212 0.418 27.769 1.00 21.56 H new ATOM 0 HH22 ARG A 838 28.263 -0.365 28.477 1.00 21.56 H new ATOM 1169 N LEU A 839 29.415 9.403 26.268 1.00 14.97 N ATOM 1170 CA LEU A 839 29.629 10.822 26.609 1.00 15.92 C ATOM 1171 C LEU A 839 28.604 11.786 25.983 1.00 17.24 C ATOM 1172 O LEU A 839 28.199 12.753 26.623 1.00 15.50 O ATOM 1173 CB LEU A 839 31.051 11.256 26.187 1.00 16.89 C ATOM 1174 CG LEU A 839 31.474 12.734 26.513 1.00 16.84 C ATOM 1175 CD1 LEU A 839 31.552 12.923 28.033 1.00 18.25 C ATOM 1176 CD2 LEU A 839 32.821 13.025 25.899 1.00 18.84 C ATOM 0 H LEU A 839 30.055 9.037 25.826 1.00 14.97 H new ATOM 0 HA LEU A 839 29.513 10.880 27.570 1.00 15.92 H new ATOM 0 HB2 LEU A 839 31.687 10.660 26.613 1.00 16.89 H new ATOM 0 HB3 LEU A 839 31.135 11.123 25.230 1.00 16.89 H new ATOM 0 HG LEU A 839 30.815 13.344 26.145 1.00 16.84 H new ATOM 0 HD11 LEU A 839 31.813 13.836 28.233 1.00 18.25 H new ATOM 0 HD12 LEU A 839 30.684 12.742 28.427 1.00 18.25 H new ATOM 0 HD13 LEU A 839 32.208 12.311 28.402 1.00 18.25 H new ATOM 0 HD21 LEU A 839 33.079 13.938 26.102 1.00 18.84 H new ATOM 0 HD22 LEU A 839 33.481 12.414 26.262 1.00 18.84 H new ATOM 0 HD23 LEU A 839 32.770 12.910 24.937 1.00 18.84 H new ATOM 1177 N ILE A 840 28.187 11.477 24.767 1.00 16.62 N ATOM 1178 CA ILE A 840 27.166 12.230 24.103 1.00 17.90 C ATOM 1179 C ILE A 840 25.933 12.324 24.954 1.00 17.69 C ATOM 1180 O ILE A 840 25.377 13.410 25.120 1.00 16.99 O ATOM 1181 CB ILE A 840 26.776 11.593 22.703 1.00 16.41 C ATOM 1182 CG1 ILE A 840 27.951 11.661 21.742 1.00 14.17 C ATOM 1183 CG2 ILE A 840 25.479 12.210 22.194 1.00 15.75 C ATOM 1184 CD1 ILE A 840 27.739 10.903 20.410 1.00 14.67 C ATOM 0 H ILE A 840 28.496 10.819 24.308 1.00 16.62 H new ATOM 0 HA ILE A 840 27.529 13.117 23.951 1.00 17.90 H new ATOM 0 HB ILE A 840 26.589 10.646 22.797 1.00 16.41 H new ATOM 0 HG12 ILE A 840 28.138 12.592 21.544 1.00 14.17 H new ATOM 0 HG13 ILE A 840 28.736 11.301 22.184 1.00 14.17 H new ATOM 0 HG21 ILE A 840 25.247 11.816 21.338 1.00 15.75 H new ATOM 0 HG22 ILE A 840 24.768 12.040 22.831 1.00 15.75 H new ATOM 0 HG23 ILE A 840 25.596 13.167 22.088 1.00 15.75 H new ATOM 0 HD11 ILE A 840 28.530 10.995 19.856 1.00 14.67 H new ATOM 0 HD12 ILE A 840 27.580 9.964 20.594 1.00 14.67 H new ATOM 0 HD13 ILE A 840 26.974 11.275 19.944 1.00 14.67 H new ATOM 1185 N PHE A 841 25.478 11.206 25.482 1.00 16.65 N ATOM 1186 CA PHE A 841 24.232 11.182 26.237 1.00 17.71 C ATOM 1187 C PHE A 841 24.442 11.729 27.650 1.00 19.97 C ATOM 1188 O PHE A 841 23.540 12.360 28.188 1.00 18.24 O ATOM 1189 CB PHE A 841 23.569 9.808 26.219 1.00 18.04 C ATOM 1190 CG PHE A 841 23.561 9.194 24.874 1.00 16.59 C ATOM 1191 CD1 PHE A 841 22.891 9.797 23.874 1.00 16.60 C ATOM 1192 CD2 PHE A 841 24.341 8.097 24.583 1.00 16.93 C ATOM 1193 CE1 PHE A 841 22.887 9.265 22.605 1.00 18.54 C ATOM 1194 CE2 PHE A 841 24.313 7.544 23.326 1.00 17.46 C ATOM 1195 CZ PHE A 841 23.640 8.136 22.324 1.00 16.83 C ATOM 0 H PHE A 841 25.873 10.445 25.417 1.00 16.65 H new ATOM 0 HA PHE A 841 23.604 11.774 25.794 1.00 17.71 H new ATOM 0 HB2 PHE A 841 24.034 9.221 26.835 1.00 18.04 H new ATOM 0 HB3 PHE A 841 22.657 9.889 26.538 1.00 18.04 H new ATOM 0 HD1 PHE A 841 22.425 10.584 24.043 1.00 16.60 H new ATOM 0 HD2 PHE A 841 24.888 7.730 25.239 1.00 16.93 H new ATOM 0 HE1 PHE A 841 22.379 9.663 21.936 1.00 18.54 H new ATOM 0 HE2 PHE A 841 24.766 6.748 23.166 1.00 17.46 H new ATOM 0 HZ PHE A 841 23.679 7.795 21.460 1.00 16.83 H new ATOM 1196 N HIS A 842 25.628 11.546 28.191 1.00 19.50 N ATOM 1197 CA HIS A 842 25.877 12.009 29.548 1.00 23.42 C ATOM 1198 C HIS A 842 25.973 13.581 29.544 1.00 21.54 C ATOM 1199 O HIS A 842 25.472 14.213 30.434 1.00 22.76 O ATOM 1200 CB HIS A 842 27.149 11.422 30.111 1.00 25.92 C ATOM 1201 CG HIS A 842 27.381 11.754 31.556 1.00 30.21 C ATOM 1202 ND1 HIS A 842 28.186 12.793 31.969 1.00 38.00 N ATOM 1203 CD2 HIS A 842 26.927 11.167 32.693 1.00 39.17 C ATOM 1204 CE1 HIS A 842 28.209 12.847 33.294 1.00 34.35 C ATOM 1205 NE2 HIS A 842 27.452 11.871 33.756 1.00 37.98 N ATOM 0 H HIS A 842 26.294 11.164 27.803 1.00 19.50 H new ATOM 0 HA HIS A 842 25.143 11.717 30.111 1.00 23.42 H new ATOM 0 HB2 HIS A 842 27.123 10.458 30.009 1.00 25.92 H new ATOM 0 HB3 HIS A 842 27.902 11.742 29.589 1.00 25.92 H new ATOM 0 HD1 HIS A 842 28.610 13.327 31.445 1.00 38.00 H new ATOM 0 HD2 HIS A 842 26.366 10.427 32.745 1.00 39.17 H new ATOM 0 HE1 HIS A 842 28.677 13.465 33.808 1.00 34.35 H new ATOM 1206 N ASN A 843 26.591 14.155 28.528 1.00 19.91 N ATOM 1207 CA ASN A 843 26.682 15.626 28.418 1.00 18.73 C ATOM 1208 C ASN A 843 25.237 16.180 28.370 1.00 18.41 C ATOM 1209 O ASN A 843 24.891 17.152 29.036 1.00 18.82 O ATOM 1210 CB ASN A 843 27.440 16.047 27.186 1.00 16.52 C ATOM 1211 CG ASN A 843 28.950 15.884 27.305 1.00 16.44 C ATOM 1212 OD1 ASN A 843 29.493 15.632 28.341 1.00 18.35 O ATOM 1213 ND2 ASN A 843 29.597 15.995 26.209 1.00 14.80 N ATOM 0 H ASN A 843 26.968 13.724 27.886 1.00 19.91 H new ATOM 0 HA ASN A 843 27.166 15.979 29.181 1.00 18.73 H new ATOM 0 HB2 ASN A 843 27.126 15.527 26.430 1.00 16.52 H new ATOM 0 HB3 ASN A 843 27.238 16.976 26.994 1.00 16.52 H new ATOM 0 HD21 ASN A 843 30.450 15.888 26.201 1.00 14.80 H new ATOM 0 HD22 ASN A 843 29.179 16.177 25.480 1.00 14.80 H new ATOM 1214 N HIS A 844 24.399 15.576 27.554 1.00 18.70 N ATOM 1215 CA HIS A 844 23.007 15.981 27.385 1.00 20.86 C ATOM 1216 C HIS A 844 22.222 15.979 28.712 1.00 20.96 C ATOM 1217 O HIS A 844 21.568 16.988 29.108 1.00 24.38 O ATOM 1218 CB HIS A 844 22.343 15.079 26.317 1.00 17.96 C ATOM 1219 CG HIS A 844 20.901 15.402 26.041 1.00 19.02 C ATOM 1220 ND1 HIS A 844 20.511 16.225 25.003 1.00 19.18 N ATOM 1221 CD2 HIS A 844 19.759 15.017 26.656 1.00 17.63 C ATOM 1222 CE1 HIS A 844 19.185 16.270 24.970 1.00 19.30 C ATOM 1223 NE2 HIS A 844 18.720 15.618 26.001 1.00 17.41 N ATOM 0 H HIS A 844 24.622 14.902 27.068 1.00 18.70 H new ATOM 0 HA HIS A 844 22.990 16.901 27.079 1.00 20.86 H new ATOM 0 HB2 HIS A 844 22.844 15.154 25.490 1.00 17.96 H new ATOM 0 HB3 HIS A 844 22.407 14.155 26.605 1.00 17.96 H new ATOM 0 HD2 HIS A 844 19.693 14.448 27.389 1.00 17.63 H new ATOM 0 HE1 HIS A 844 18.673 16.695 24.321 1.00 19.30 H new ATOM 0 HE2 HIS A 844 17.893 15.574 26.231 1.00 17.41 H new ATOM 1224 N LYS A 845 22.292 14.872 29.431 1.00 22.27 N ATOM 1225 CA ALYS A 845 21.659 14.740 30.752 0.50 24.43 C ATOM 1226 CA BLYS A 845 21.614 14.777 30.703 0.50 24.39 C ATOM 1227 C LYS A 845 22.087 15.848 31.690 1.00 24.71 C ATOM 1228 O LYS A 845 21.284 16.439 32.375 1.00 27.34 O ATOM 1229 CB ALYS A 845 22.044 13.430 31.437 0.50 27.19 C ATOM 1230 CB BLYS A 845 21.814 13.405 31.297 0.50 26.64 C ATOM 1231 CG ALYS A 845 21.383 12.213 30.840 0.50 30.41 C ATOM 1232 CG BLYS A 845 21.129 13.208 32.630 0.50 29.80 C ATOM 1233 CD ALYS A 845 21.981 10.873 31.286 0.50 33.11 C ATOM 1234 CD BLYS A 845 22.134 12.976 33.715 0.50 30.48 C ATOM 1235 CE ALYS A 845 21.047 10.177 32.252 0.50 35.36 C ATOM 1236 CE BLYS A 845 22.171 11.507 34.034 0.50 31.52 C ATOM 1237 NZ ALYS A 845 21.341 8.723 32.371 0.50 35.28 N ATOM 1238 NZ BLYS A 845 21.072 11.208 34.994 0.50 33.33 N ATOM 0 H ALYS A 845 22.709 14.166 29.173 0.50 22.27 H new ATOM 0 H BLYS A 845 22.727 14.167 29.199 0.50 22.27 H new ATOM 0 HA ALYS A 845 20.704 14.775 30.584 0.50 24.39 H new ATOM 0 HA BLYS A 845 20.670 14.927 30.539 0.50 24.39 H new ATOM 0 HB2ALYS A 845 23.007 13.321 31.389 0.50 26.64 H new ATOM 0 HB2BLYS A 845 21.483 12.741 30.672 0.50 26.64 H new ATOM 0 HB3ALYS A 845 21.811 13.486 32.377 0.50 26.64 H new ATOM 0 HB3BLYS A 845 22.765 13.245 31.405 0.50 26.64 H new ATOM 0 HG2ALYS A 845 20.441 12.226 31.072 0.50 29.80 H new ATOM 0 HG2BLYS A 845 20.593 13.988 32.841 0.50 29.80 H new ATOM 0 HG3ALYS A 845 21.438 12.272 29.873 0.50 29.80 H new ATOM 0 HG3BLYS A 845 20.523 12.453 32.578 0.50 29.80 H new ATOM 0 HD2ALYS A 845 22.137 10.308 30.513 0.50 30.48 H new ATOM 0 HD2BLYS A 845 23.010 13.281 33.432 0.50 30.48 H new ATOM 0 HD3ALYS A 845 22.842 11.020 31.708 0.50 30.48 H new ATOM 0 HD3BLYS A 845 21.898 13.486 34.506 0.50 30.48 H new ATOM 0 HE2ALYS A 845 21.120 10.592 33.126 0.50 31.52 H new ATOM 0 HE2BLYS A 845 22.064 10.983 33.225 0.50 31.52 H new ATOM 0 HE3ALYS A 845 20.131 10.297 31.956 0.50 31.52 H new ATOM 0 HE3BLYS A 845 23.029 11.266 34.417 0.50 31.52 H new ATOM 0 HZ1ALYS A 845 20.772 8.351 32.946 0.50 33.33 H new ATOM 0 HZ1BLYS A 845 21.080 10.341 35.194 0.50 33.33 H new ATOM 0 HZ2ALYS A 845 21.253 8.336 31.574 0.50 33.33 H new ATOM 0 HZ2BLYS A 845 21.189 11.684 35.737 0.50 33.33 H new ATOM 0 HZ3ALYS A 845 22.174 8.611 32.664 0.50 33.33 H new ATOM 0 HZ3BLYS A 845 20.290 11.420 34.626 0.50 33.33 H new ATOM 1239 N GLU A 846 23.370 16.081 31.747 1.00 23.35 N ATOM 1240 CA GLU A 846 23.923 17.044 32.666 1.00 27.27 C ATOM 1241 C GLU A 846 23.520 18.463 32.298 1.00 25.87 C ATOM 1242 O GLU A 846 23.297 19.243 33.192 1.00 27.44 O ATOM 1243 CB GLU A 846 25.446 16.919 32.796 1.00 32.36 C ATOM 1244 CG GLU A 846 25.923 15.611 33.489 1.00 40.12 C ATOM 1245 CD GLU A 846 25.264 15.393 34.850 1.00 46.87 C ATOM 1246 OE1 GLU A 846 25.562 16.186 35.763 1.00 54.11 O ATOM 1247 OE2 GLU A 846 24.432 14.465 34.993 1.00 52.48 O ATOM 0 H GLU A 846 23.953 15.686 31.253 1.00 23.35 H new ATOM 0 HA GLU A 846 23.546 16.843 33.537 1.00 27.27 H new ATOM 0 HB2 GLU A 846 25.841 16.966 31.911 1.00 32.36 H new ATOM 0 HB3 GLU A 846 25.781 17.679 33.297 1.00 32.36 H new ATOM 0 HG2 GLU A 846 25.728 14.855 32.914 1.00 40.12 H new ATOM 0 HG3 GLU A 846 26.886 15.641 33.601 1.00 40.12 H new ATOM 1248 N PHE A 847 23.423 18.784 31.018 1.00 23.15 N ATOM 1249 CA PHE A 847 23.195 20.183 30.605 1.00 25.15 C ATOM 1250 C PHE A 847 21.704 20.552 30.755 1.00 25.51 C ATOM 1251 O PHE A 847 21.342 21.630 31.283 1.00 25.76 O ATOM 1252 CB PHE A 847 23.647 20.402 29.179 1.00 22.31 C ATOM 1253 CG PHE A 847 23.405 21.784 28.697 1.00 21.01 C ATOM 1254 CD1 PHE A 847 24.214 22.799 29.163 1.00 23.12 C ATOM 1255 CD2 PHE A 847 22.403 22.075 27.806 1.00 19.30 C ATOM 1256 CE1 PHE A 847 24.042 24.116 28.725 1.00 21.22 C ATOM 1257 CE2 PHE A 847 22.208 23.396 27.357 1.00 22.90 C ATOM 1258 CZ PHE A 847 23.037 24.410 27.800 1.00 22.91 C ATOM 0 H PHE A 847 23.484 18.222 30.370 1.00 23.15 H new ATOM 0 HA PHE A 847 23.719 20.759 31.184 1.00 25.15 H new ATOM 0 HB2 PHE A 847 24.594 20.203 29.112 1.00 22.31 H new ATOM 0 HB3 PHE A 847 23.184 19.777 28.599 1.00 22.31 H new ATOM 0 HD1 PHE A 847 24.884 22.605 29.778 1.00 23.12 H new ATOM 0 HD2 PHE A 847 21.849 21.395 27.496 1.00 19.30 H new ATOM 0 HE1 PHE A 847 24.593 24.792 29.048 1.00 21.22 H new ATOM 0 HE2 PHE A 847 21.520 23.586 26.761 1.00 22.90 H new ATOM 0 HZ PHE A 847 22.927 25.278 27.486 1.00 22.91 H new ATOM 1259 N TYR A 848 20.841 19.676 30.267 1.00 22.80 N ATOM 1260 CA TYR A 848 19.423 19.908 30.354 1.00 24.95 C ATOM 1261 C TYR A 848 18.770 19.605 31.681 1.00 30.29 C ATOM 1262 O TYR A 848 17.608 19.963 31.870 1.00 40.03 O ATOM 1263 CB TYR A 848 18.685 19.270 29.191 1.00 25.55 C ATOM 1264 CG TYR A 848 19.041 19.935 27.856 1.00 24.13 C ATOM 1265 CD1 TYR A 848 18.524 21.159 27.507 1.00 21.82 C ATOM 1266 CD2 TYR A 848 19.862 19.310 26.949 1.00 22.64 C ATOM 1267 CE1 TYR A 848 18.828 21.734 26.286 1.00 21.98 C ATOM 1268 CE2 TYR A 848 20.184 19.873 25.752 1.00 21.69 C ATOM 1269 CZ TYR A 848 19.671 21.094 25.442 1.00 23.06 C ATOM 1270 OH TYR A 848 19.992 21.622 24.227 1.00 29.58 O ATOM 0 H TYR A 848 21.063 18.940 29.881 1.00 22.80 H new ATOM 0 HA TYR A 848 19.341 20.872 30.289 1.00 24.95 H new ATOM 0 HB2 TYR A 848 18.902 18.325 29.150 1.00 25.55 H new ATOM 0 HB3 TYR A 848 17.729 19.335 29.340 1.00 25.55 H new ATOM 0 HD1 TYR A 848 17.963 21.606 28.099 1.00 21.82 H new ATOM 0 HD2 TYR A 848 20.210 18.474 27.160 1.00 22.64 H new ATOM 0 HE1 TYR A 848 18.457 22.553 26.047 1.00 21.98 H new ATOM 0 HE2 TYR A 848 20.745 19.430 25.157 1.00 21.69 H new ATOM 0 HH TYR A 848 19.963 22.460 24.269 1.00 29.58 H new ATOM 1271 N ARG A 849 19.489 19.036 32.630 1.00 32.08 N ATOM 1272 CA ARG A 849 19.072 19.082 34.037 1.00 42.68 C ATOM 1273 C ARG A 849 17.603 18.604 34.238 1.00 42.08 C ATOM 1274 O ARG A 849 17.329 17.443 34.050 1.00 43.22 O ATOM 1275 CB ARG A 849 19.211 20.506 34.612 1.00 52.13 C ATOM 1276 CG ARG A 849 20.560 21.160 34.543 1.00 64.96 C ATOM 1277 CD ARG A 849 21.493 20.707 35.627 1.00 71.64 C ATOM 1278 NE ARG A 849 22.537 21.724 35.806 1.00 76.81 N ATOM 1279 CZ ARG A 849 22.668 22.525 36.861 1.00 77.89 C ATOM 1280 NH1 ARG A 849 21.838 22.456 37.897 1.00 75.07 N ATOM 1281 NH2 ARG A 849 23.663 23.406 36.887 1.00 85.62 N ATOM 0 H ARG A 849 20.225 18.615 32.489 1.00 32.08 H new ATOM 0 HA ARG A 849 19.662 18.475 34.510 1.00 42.68 H new ATOM 0 HB2 ARG A 849 18.579 21.077 34.149 1.00 52.13 H new ATOM 0 HB3 ARG A 849 18.940 20.479 35.543 1.00 52.13 H new ATOM 0 HG2 ARG A 849 20.961 20.971 33.680 1.00 64.96 H new ATOM 0 HG3 ARG A 849 20.450 22.122 34.600 1.00 64.96 H new ATOM 0 HD2 ARG A 849 21.007 20.575 36.456 1.00 71.64 H new ATOM 0 HD3 ARG A 849 21.891 19.854 35.393 1.00 71.64 H new ATOM 0 HE ARG A 849 23.114 21.810 35.174 1.00 76.81 H new ATOM 0 HH11 ARG A 849 21.197 21.883 37.897 1.00 75.07 H new ATOM 0 HH12 ARG A 849 21.943 22.984 38.568 1.00 75.07 H new ATOM 0 HH21 ARG A 849 24.213 23.454 36.227 1.00 85.62 H new ATOM 0 HH22 ARG A 849 23.757 23.928 37.564 1.00 85.62 H new ATOM 1282 N GLU A 850 16.664 19.493 34.576 1.00 40.08 N ATOM 1283 CA GLU A 850 15.292 19.048 34.873 1.00 46.03 C ATOM 1284 C GLU A 850 14.345 19.347 33.733 1.00 37.11 C ATOM 1285 O GLU A 850 13.180 19.042 33.854 1.00 43.08 O ATOM 1286 CB GLU A 850 14.743 19.686 36.174 1.00 54.14 C ATOM 1287 CG GLU A 850 15.685 19.697 37.394 1.00 65.57 C ATOM 1288 CD GLU A 850 15.949 18.315 37.982 1.00 71.03 C ATOM 1289 OE1 GLU A 850 15.019 17.799 38.629 1.00 84.90 O ATOM 1290 OE2 GLU A 850 17.076 17.756 37.828 1.00 76.06 O ATOM 0 H GLU A 850 16.794 20.341 34.639 1.00 40.08 H new ATOM 0 HA GLU A 850 15.344 18.087 34.995 1.00 46.03 H new ATOM 0 HB2 GLU A 850 14.491 20.602 35.978 1.00 54.14 H new ATOM 0 HB3 GLU A 850 13.932 19.216 36.423 1.00 54.14 H new ATOM 0 HG2 GLU A 850 16.531 20.096 37.135 1.00 65.57 H new ATOM 0 HG3 GLU A 850 15.303 20.264 38.082 1.00 65.57 H new ATOM 1291 N ASP A 851 14.800 19.962 32.643 1.00 31.31 N ATOM 1292 CA ASP A 851 13.971 20.107 31.475 1.00 28.00 C ATOM 1293 C ASP A 851 13.658 18.699 30.992 1.00 26.99 C ATOM 1294 O ASP A 851 14.512 17.797 30.987 1.00 25.63 O ATOM 1295 CB ASP A 851 14.652 20.948 30.390 1.00 31.71 C ATOM 1296 CG ASP A 851 13.711 21.405 29.302 1.00 30.90 C ATOM 1297 OD1 ASP A 851 13.060 20.573 28.623 1.00 29.80 O ATOM 1298 OD2 ASP A 851 13.693 22.624 29.051 1.00 33.64 O ATOM 0 H ASP A 851 15.588 20.299 32.570 1.00 31.31 H new ATOM 0 HA ASP A 851 13.155 20.585 31.690 1.00 28.00 H new ATOM 0 HB2 ASP A 851 15.060 21.725 30.802 1.00 31.71 H new ATOM 0 HB3 ASP A 851 15.368 20.430 29.991 1.00 31.71 H new ATOM 1299 N LYS A 852 12.413 18.503 30.643 1.00 24.08 N ATOM 1300 CA LYS A 852 11.973 17.262 30.063 1.00 25.67 C ATOM 1301 C LYS A 852 12.742 16.809 28.816 1.00 22.61 C ATOM 1302 O LYS A 852 12.703 15.603 28.465 1.00 24.28 O ATOM 1303 CB LYS A 852 10.471 17.286 29.792 1.00 27.77 C ATOM 1304 CG LYS A 852 10.085 18.154 28.632 1.00 31.40 C ATOM 1305 CD LYS A 852 8.579 18.250 28.440 1.00 33.56 C ATOM 1306 CE LYS A 852 8.260 19.543 27.648 1.00 34.15 C ATOM 1307 NZ LYS A 852 6.837 19.719 27.320 1.00 30.36 N ATOM 0 H LYS A 852 11.792 19.090 30.736 1.00 24.08 H new ATOM 0 HA LYS A 852 12.176 16.594 30.736 1.00 25.67 H new ATOM 0 HB2 LYS A 852 10.166 16.381 29.625 1.00 27.77 H new ATOM 0 HB3 LYS A 852 10.011 17.598 30.587 1.00 27.77 H new ATOM 0 HG2 LYS A 852 10.447 19.044 28.765 1.00 31.40 H new ATOM 0 HG3 LYS A 852 10.488 17.802 27.823 1.00 31.40 H new ATOM 0 HD2 LYS A 852 8.251 17.473 27.961 1.00 33.56 H new ATOM 0 HD3 LYS A 852 8.131 18.263 29.300 1.00 33.56 H new ATOM 0 HE2 LYS A 852 8.559 20.308 28.165 1.00 34.15 H new ATOM 0 HE3 LYS A 852 8.772 19.540 26.824 1.00 34.15 H new ATOM 0 HZ1 LYS A 852 6.762 20.162 26.551 1.00 30.36 H new ATOM 0 HZ2 LYS A 852 6.449 18.922 27.242 1.00 30.36 H new ATOM 0 HZ3 LYS A 852 6.438 20.180 27.968 1.00 30.36 H new ATOM 1308 N PHE A 853 13.434 17.733 28.169 1.00 21.65 N ATOM 1309 CA PHE A 853 14.252 17.442 26.990 1.00 22.52 C ATOM 1310 C PHE A 853 15.394 16.453 27.318 1.00 18.82 C ATOM 1311 O PHE A 853 15.878 15.770 26.457 1.00 17.39 O ATOM 1312 CB PHE A 853 14.756 18.740 26.390 1.00 21.95 C ATOM 1313 CG PHE A 853 15.357 18.600 25.055 1.00 22.29 C ATOM 1314 CD1 PHE A 853 14.650 18.065 23.998 1.00 24.17 C ATOM 1315 CD2 PHE A 853 16.673 18.992 24.824 1.00 23.02 C ATOM 1316 CE1 PHE A 853 15.240 17.972 22.744 1.00 23.32 C ATOM 1317 CE2 PHE A 853 17.250 18.911 23.562 1.00 23.66 C ATOM 1318 CZ PHE A 853 16.551 18.393 22.524 1.00 21.77 C ATOM 0 H PHE A 853 13.445 18.561 28.402 1.00 21.65 H new ATOM 0 HA PHE A 853 13.704 16.998 26.325 1.00 22.52 H new ATOM 0 HB2 PHE A 853 14.018 19.367 26.336 1.00 21.95 H new ATOM 0 HB3 PHE A 853 15.413 19.127 26.989 1.00 21.95 H new ATOM 0 HD1 PHE A 853 13.778 17.767 24.125 1.00 24.17 H new ATOM 0 HD2 PHE A 853 17.180 19.317 25.533 1.00 23.02 H new ATOM 0 HE1 PHE A 853 14.750 17.621 22.036 1.00 23.32 H new ATOM 0 HE2 PHE A 853 18.119 19.214 23.430 1.00 23.66 H new ATOM 0 HZ PHE A 853 16.938 18.320 21.681 1.00 21.77 H new ATOM 1319 N THR A 854 15.740 16.366 28.579 1.00 17.57 N ATOM 1320 CA ATHR A 854 16.630 15.320 29.147 0.37 18.74 C ATOM 1321 CA BTHR A 854 16.657 15.318 29.045 0.63 19.91 C ATOM 1322 C THR A 854 16.249 13.925 28.625 1.00 20.46 C ATOM 1323 O THR A 854 17.101 13.053 28.366 1.00 21.47 O ATOM 1324 CB ATHR A 854 16.631 15.373 30.737 0.37 18.92 C ATOM 1325 CB BTHR A 854 16.875 15.302 30.587 0.63 21.84 C ATOM 1326 OG1ATHR A 854 17.775 14.710 31.311 0.37 17.10 O ATOM 1327 OG1BTHR A 854 15.651 15.018 31.280 0.63 24.89 O ATOM 1328 CG2ATHR A 854 15.363 14.740 31.353 0.37 19.04 C ATOM 1329 CG2BTHR A 854 17.476 16.574 31.061 0.63 20.55 C ATOM 0 H ATHR A 854 15.464 16.926 29.170 0.37 17.57 H new ATOM 0 H BTHR A 854 15.462 16.899 29.194 0.63 17.57 H new ATOM 0 HA ATHR A 854 17.535 15.502 28.850 0.37 19.91 H new ATOM 0 HA BTHR A 854 17.489 15.559 28.609 0.63 19.91 H new ATOM 0 HB ATHR A 854 16.660 16.319 30.949 0.37 21.84 H new ATOM 0 HB BTHR A 854 17.502 14.589 30.787 0.63 21.84 H new ATOM 0 HG1ATHR A 854 17.738 14.762 32.149 0.37 24.89 H new ATOM 0 HG1BTHR A 854 15.181 15.713 31.316 0.63 24.89 H new ATOM 0 HG21ATHR A 854 15.410 14.796 32.320 0.37 20.55 H new ATOM 0 HG21BTHR A 854 17.600 16.535 32.022 0.63 20.55 H new ATOM 0 HG22ATHR A 854 14.578 15.217 31.040 0.37 20.55 H new ATOM 0 HG22BTHR A 854 18.335 16.707 30.630 0.63 20.55 H new ATOM 0 HG23ATHR A 854 15.303 13.809 31.086 0.37 20.55 H new ATOM 0 HG23BTHR A 854 16.887 17.312 30.841 0.63 20.55 H new ATOM 1330 N ARG A 855 14.978 13.672 28.532 1.00 18.96 N ATOM 1331 CA ARG A 855 14.534 12.387 28.141 1.00 23.25 C ATOM 1332 C ARG A 855 14.993 11.899 26.741 1.00 22.05 C ATOM 1333 O ARG A 855 15.158 10.660 26.515 1.00 21.03 O ATOM 1334 CB ARG A 855 12.990 12.338 28.357 1.00 28.31 C ATOM 1335 CG ARG A 855 12.301 11.034 27.962 1.00 40.62 C ATOM 1336 CD ARG A 855 10.858 10.995 28.490 1.00 48.62 C ATOM 1337 NE ARG A 855 10.119 9.784 28.078 1.00 53.35 N ATOM 1338 CZ ARG A 855 9.228 9.692 27.081 1.00 61.16 C ATOM 1339 NH1 ARG A 855 8.904 10.736 26.301 1.00 56.94 N ATOM 1340 NH2 ARG A 855 8.646 8.511 26.840 1.00 63.21 N ATOM 0 H ARG A 855 14.353 14.240 28.694 1.00 18.96 H new ATOM 0 HA ARG A 855 14.975 11.734 28.706 1.00 23.25 H new ATOM 0 HB2 ARG A 855 12.807 12.509 29.294 1.00 28.31 H new ATOM 0 HB3 ARG A 855 12.587 13.062 27.852 1.00 28.31 H new ATOM 0 HG2 ARG A 855 12.299 10.945 26.996 1.00 40.62 H new ATOM 0 HG3 ARG A 855 12.799 10.280 28.315 1.00 40.62 H new ATOM 0 HD2 ARG A 855 10.873 11.043 29.459 1.00 48.62 H new ATOM 0 HD3 ARG A 855 10.383 11.780 28.174 1.00 48.62 H new ATOM 0 HE ARG A 855 10.276 9.065 28.523 1.00 53.35 H new ATOM 0 HH11 ARG A 855 9.273 11.502 26.432 1.00 56.94 H new ATOM 0 HH12 ARG A 855 8.327 10.639 25.670 1.00 56.94 H new ATOM 0 HH21 ARG A 855 8.846 7.827 27.321 1.00 63.21 H new ATOM 0 HH22 ARG A 855 8.072 8.436 26.204 1.00 63.21 H new ATOM 1341 N LEU A 856 15.223 12.822 25.826 1.00 21.83 N ATOM 1342 CA LEU A 856 15.744 12.457 24.504 1.00 23.43 C ATOM 1343 C LEU A 856 17.117 11.751 24.640 1.00 21.99 C ATOM 1344 O LEU A 856 17.377 10.808 23.944 1.00 18.58 O ATOM 1345 CB LEU A 856 15.854 13.637 23.529 1.00 23.08 C ATOM 1346 CG LEU A 856 14.633 14.021 22.709 1.00 24.30 C ATOM 1347 CD1 LEU A 856 14.159 12.931 21.740 1.00 28.86 C ATOM 1348 CD2 LEU A 856 13.485 14.352 23.598 1.00 24.45 C ATOM 0 H LEU A 856 15.088 13.664 25.941 1.00 21.83 H new ATOM 0 HA LEU A 856 15.092 11.849 24.122 1.00 23.43 H new ATOM 0 HB2 LEU A 856 16.123 14.417 24.040 1.00 23.08 H new ATOM 0 HB3 LEU A 856 16.575 13.441 22.910 1.00 23.08 H new ATOM 0 HG LEU A 856 14.919 14.787 22.187 1.00 24.30 H new ATOM 0 HD11 LEU A 856 13.381 13.246 21.254 1.00 28.86 H new ATOM 0 HD12 LEU A 856 14.869 12.724 21.113 1.00 28.86 H new ATOM 0 HD13 LEU A 856 13.927 12.133 22.239 1.00 28.86 H new ATOM 0 HD21 LEU A 856 12.717 14.594 23.058 1.00 24.45 H new ATOM 0 HD22 LEU A 856 13.266 13.581 24.144 1.00 24.45 H new ATOM 0 HD23 LEU A 856 13.724 15.097 24.172 1.00 24.45 H new ATOM 1349 N GLY A 857 17.927 12.196 25.570 1.00 23.37 N ATOM 1350 CA GLY A 857 19.185 11.542 25.881 1.00 23.38 C ATOM 1351 C GLY A 857 19.015 10.127 26.436 1.00 21.62 C ATOM 1352 O GLY A 857 19.760 9.209 26.059 1.00 22.00 O ATOM 0 H GLY A 857 17.766 12.893 26.047 1.00 23.37 H new ATOM 0 HA2 GLY A 857 19.729 11.504 25.079 1.00 23.38 H new ATOM 0 HA3 GLY A 857 19.670 12.079 26.527 1.00 23.38 H new ATOM 1353 N ILE A 858 18.069 9.957 27.336 1.00 24.43 N ATOM 1354 CA ILE A 858 17.728 8.622 27.892 1.00 24.33 C ATOM 1355 C ILE A 858 17.260 7.668 26.788 1.00 24.84 C ATOM 1356 O ILE A 858 17.680 6.524 26.733 1.00 19.69 O ATOM 1357 CB ILE A 858 16.689 8.700 29.006 1.00 26.62 C ATOM 1358 CG1 ILE A 858 17.350 9.426 30.201 1.00 31.40 C ATOM 1359 CG2 ILE A 858 16.196 7.295 29.459 1.00 25.76 C ATOM 1360 CD1 ILE A 858 16.384 9.874 31.267 1.00 32.95 C ATOM 0 H ILE A 858 17.595 10.600 27.654 1.00 24.43 H new ATOM 0 HA ILE A 858 18.543 8.270 28.284 1.00 24.33 H new ATOM 0 HB ILE A 858 15.910 9.176 28.678 1.00 26.62 H new ATOM 0 HG12 ILE A 858 18.006 8.835 30.602 1.00 31.40 H new ATOM 0 HG13 ILE A 858 17.831 10.200 29.869 1.00 31.40 H new ATOM 0 HG21 ILE A 858 15.539 7.395 30.166 1.00 25.76 H new ATOM 0 HG22 ILE A 858 15.793 6.835 28.706 1.00 25.76 H new ATOM 0 HG23 ILE A 858 16.948 6.778 29.788 1.00 25.76 H new ATOM 0 HD11 ILE A 858 16.871 10.318 31.979 1.00 32.95 H new ATOM 0 HD12 ILE A 858 15.740 10.490 30.883 1.00 32.95 H new ATOM 0 HD13 ILE A 858 15.918 9.103 31.627 1.00 32.95 H new ATOM 1361 N GLN A 859 16.432 8.177 25.903 1.00 20.96 N ATOM 1362 CA GLN A 859 15.877 7.392 24.842 1.00 23.88 C ATOM 1363 C GLN A 859 16.902 6.955 23.841 1.00 22.95 C ATOM 1364 O GLN A 859 16.970 5.782 23.498 1.00 21.85 O ATOM 1365 CB GLN A 859 14.758 8.150 24.150 1.00 26.68 C ATOM 1366 CG GLN A 859 13.550 8.266 25.054 1.00 28.00 C ATOM 1367 CD GLN A 859 12.459 9.138 24.515 1.00 32.69 C ATOM 1368 OE1 GLN A 859 12.706 10.195 23.872 1.00 29.78 O ATOM 1369 NE2 GLN A 859 11.218 8.691 24.744 1.00 34.92 N ATOM 0 H GLN A 859 16.176 8.998 25.905 1.00 20.96 H new ATOM 0 HA GLN A 859 15.520 6.587 25.250 1.00 23.88 H new ATOM 0 HB2 GLN A 859 15.067 9.035 23.901 1.00 26.68 H new ATOM 0 HB3 GLN A 859 14.511 7.694 23.330 1.00 26.68 H new ATOM 0 HG2 GLN A 859 13.192 7.379 25.213 1.00 28.00 H new ATOM 0 HG3 GLN A 859 13.834 8.615 25.913 1.00 28.00 H new ATOM 0 HE21 GLN A 859 11.098 7.964 25.188 1.00 34.92 H new ATOM 0 HE22 GLN A 859 10.541 9.131 24.447 1.00 34.92 H new ATOM 1370 N VAL A 860 17.768 7.859 23.428 1.00 20.52 N ATOM 1371 CA VAL A 860 18.751 7.489 22.454 1.00 19.19 C ATOM 1372 C VAL A 860 19.826 6.594 23.088 1.00 17.99 C ATOM 1373 O VAL A 860 20.181 5.609 22.484 1.00 18.29 O ATOM 1374 CB VAL A 860 19.256 8.641 21.646 1.00 21.07 C ATOM 1375 CG1 VAL A 860 20.207 8.158 20.575 1.00 19.56 C ATOM 1376 CG2 VAL A 860 18.064 9.296 20.970 1.00 21.23 C ATOM 0 H VAL A 860 17.799 8.675 23.697 1.00 20.52 H new ATOM 0 HA VAL A 860 18.321 6.943 21.778 1.00 19.19 H new ATOM 0 HB VAL A 860 19.722 9.264 22.225 1.00 21.07 H new ATOM 0 HG11 VAL A 860 20.526 8.915 20.060 1.00 19.56 H new ATOM 0 HG12 VAL A 860 20.960 7.709 20.989 1.00 19.56 H new ATOM 0 HG13 VAL A 860 19.746 7.539 19.988 1.00 19.56 H new ATOM 0 HG21 VAL A 860 18.367 10.049 20.438 1.00 21.23 H new ATOM 0 HG22 VAL A 860 17.623 8.651 20.395 1.00 21.23 H new ATOM 0 HG23 VAL A 860 17.440 9.607 21.644 1.00 21.23 H new ATOM 1377 N GLN A 861 20.209 6.857 24.315 1.00 17.41 N ATOM 1378 CA GLN A 861 21.132 5.968 25.019 1.00 17.76 C ATOM 1379 C GLN A 861 20.576 4.549 25.138 1.00 17.01 C ATOM 1380 O GLN A 861 21.351 3.642 25.022 1.00 16.03 O ATOM 1381 CB GLN A 861 21.557 6.481 26.412 1.00 19.51 C ATOM 1382 CG GLN A 861 22.631 5.517 27.023 1.00 22.86 C ATOM 1383 CD GLN A 861 23.481 6.086 28.152 1.00 28.88 C ATOM 1384 OE1 GLN A 861 23.181 7.142 28.671 1.00 33.95 O ATOM 1385 NE2 GLN A 861 24.591 5.366 28.522 1.00 29.17 N ATOM 0 H GLN A 861 19.952 7.542 24.767 1.00 17.41 H new ATOM 0 HA GLN A 861 21.929 5.955 24.467 1.00 17.76 H new ATOM 0 HB2 GLN A 861 21.918 7.378 26.340 1.00 19.51 H new ATOM 0 HB3 GLN A 861 20.785 6.532 26.997 1.00 19.51 H new ATOM 0 HG2 GLN A 861 22.178 4.725 27.352 1.00 22.86 H new ATOM 0 HG3 GLN A 861 23.223 5.230 26.311 1.00 22.86 H new ATOM 0 HE21 GLN A 861 24.771 4.622 28.131 1.00 29.17 H new ATOM 0 HE22 GLN A 861 25.106 5.660 29.145 1.00 29.17 H new ATOM 1386 N ASP A 862 19.286 4.365 25.403 1.00 17.41 N ATOM 1387 CA AASP A 862 18.710 3.030 25.488 0.49 18.69 C ATOM 1388 CA BASP A 862 18.724 3.043 25.506 0.51 19.29 C ATOM 1389 C ASP A 862 18.867 2.278 24.187 1.00 18.65 C ATOM 1390 O ASP A 862 19.120 1.072 24.191 1.00 18.84 O ATOM 1391 CB AASP A 862 17.235 3.060 25.903 0.49 19.86 C ATOM 1392 CB BASP A 862 17.267 3.124 25.970 0.51 20.92 C ATOM 1393 CG AASP A 862 17.062 3.447 27.326 0.49 21.67 C ATOM 1394 CG BASP A 862 16.695 1.785 26.342 0.51 24.16 C ATOM 1395 OD1AASP A 862 18.081 3.458 28.015 0.49 23.75 O ATOM 1396 OD1BASP A 862 17.390 1.005 27.023 0.51 26.91 O ATOM 1397 OD2AASP A 862 15.932 3.762 27.762 0.49 26.24 O ATOM 1398 OD2BASP A 862 15.532 1.512 25.995 0.51 27.44 O ATOM 0 H AASP A 862 18.726 5.004 25.537 0.49 17.41 H new ATOM 0 H BASP A 862 18.723 5.003 25.526 0.51 17.41 H new ATOM 0 HA AASP A 862 19.204 2.562 26.180 0.49 19.29 H new ATOM 0 HA BASP A 862 19.220 2.543 26.173 0.51 19.29 H new ATOM 0 HB2AASP A 862 16.754 3.685 25.338 0.49 20.92 H new ATOM 0 HB2BASP A 862 17.209 3.719 26.734 0.51 20.92 H new ATOM 0 HB3AASP A 862 16.841 2.186 25.757 0.49 20.92 H new ATOM 0 HB3BASP A 862 16.729 3.515 25.264 0.51 20.92 H new ATOM 1399 N ILE A 863 18.698 2.961 23.064 1.00 16.20 N ATOM 1400 CA ILE A 863 18.893 2.361 21.764 1.00 16.24 C ATOM 1401 C ILE A 863 20.333 1.958 21.551 1.00 15.54 C ATOM 1402 O ILE A 863 20.615 0.773 21.207 1.00 15.47 O ATOM 1403 CB ILE A 863 18.494 3.372 20.613 1.00 19.55 C ATOM 1404 CG1 ILE A 863 16.994 3.722 20.695 1.00 22.18 C ATOM 1405 CG2 ILE A 863 18.876 2.823 19.228 1.00 21.71 C ATOM 1406 CD1 ILE A 863 16.086 2.550 20.505 1.00 27.10 C ATOM 0 H ILE A 863 18.466 3.789 23.039 1.00 16.20 H new ATOM 0 HA ILE A 863 18.327 1.574 21.732 1.00 16.24 H new ATOM 0 HB ILE A 863 18.997 4.191 20.741 1.00 19.55 H new ATOM 0 HG12 ILE A 863 16.812 4.124 21.559 1.00 22.18 H new ATOM 0 HG13 ILE A 863 16.790 4.390 20.022 1.00 22.18 H new ATOM 0 HG21 ILE A 863 18.620 3.462 18.545 1.00 21.71 H new ATOM 0 HG22 ILE A 863 19.834 2.677 19.191 1.00 21.71 H new ATOM 0 HG23 ILE A 863 18.415 1.984 19.074 1.00 21.71 H new ATOM 0 HD11 ILE A 863 15.163 2.842 20.569 1.00 27.10 H new ATOM 0 HD12 ILE A 863 16.241 2.158 19.631 1.00 27.10 H new ATOM 0 HD13 ILE A 863 16.264 1.888 21.192 1.00 27.10 H new ATOM 1407 N PHE A 864 21.257 2.854 21.896 1.00 13.57 N ATOM 1408 CA PHE A 864 22.685 2.480 21.870 1.00 15.13 C ATOM 1409 C PHE A 864 22.990 1.224 22.701 1.00 15.83 C ATOM 1410 O PHE A 864 23.679 0.335 22.211 1.00 17.07 O ATOM 1411 CB PHE A 864 23.555 3.634 22.417 1.00 14.90 C ATOM 1412 CG PHE A 864 25.005 3.314 22.545 1.00 14.30 C ATOM 1413 CD1 PHE A 864 25.756 3.158 21.459 1.00 13.76 C ATOM 1414 CD2 PHE A 864 25.571 3.088 23.801 1.00 15.81 C ATOM 1415 CE1 PHE A 864 27.089 2.864 21.523 1.00 15.87 C ATOM 1416 CE2 PHE A 864 26.918 2.751 23.888 1.00 15.58 C ATOM 1417 CZ PHE A 864 27.686 2.680 22.766 1.00 16.07 C ATOM 0 H PHE A 864 21.093 3.661 22.142 1.00 13.57 H new ATOM 0 HA PHE A 864 22.894 2.294 20.941 1.00 15.13 H new ATOM 0 HB2 PHE A 864 23.456 4.402 21.833 1.00 14.90 H new ATOM 0 HB3 PHE A 864 23.216 3.894 23.288 1.00 14.90 H new ATOM 0 HD1 PHE A 864 25.359 3.253 20.623 1.00 13.76 H new ATOM 0 HD2 PHE A 864 25.054 3.162 24.570 1.00 15.81 H new ATOM 0 HE1 PHE A 864 27.592 2.788 20.744 1.00 15.87 H new ATOM 0 HE2 PHE A 864 27.297 2.573 24.719 1.00 15.58 H new ATOM 0 HZ PHE A 864 28.598 2.511 22.830 1.00 16.07 H new ATOM 1418 N GLU A 865 22.536 1.208 23.943 1.00 16.44 N ATOM 1419 CA GLU A 865 22.921 0.171 24.900 1.00 18.59 C ATOM 1420 C GLU A 865 22.333 -1.221 24.544 1.00 17.41 C ATOM 1421 O GLU A 865 23.002 -2.233 24.615 1.00 17.14 O ATOM 1422 CB GLU A 865 22.508 0.543 26.313 1.00 18.61 C ATOM 1423 CG GLU A 865 23.262 1.739 26.876 1.00 20.80 C ATOM 1424 CD GLU A 865 24.749 1.550 27.113 1.00 23.58 C ATOM 1425 OE1 GLU A 865 25.291 0.404 27.216 1.00 25.35 O ATOM 1426 OE2 GLU A 865 25.422 2.583 27.294 1.00 22.21 O ATOM 0 H GLU A 865 21.995 1.796 24.260 1.00 16.44 H new ATOM 0 HA GLU A 865 23.888 0.110 24.850 1.00 18.59 H new ATOM 0 HB2 GLU A 865 21.557 0.736 26.323 1.00 18.61 H new ATOM 0 HB3 GLU A 865 22.649 -0.221 26.894 1.00 18.61 H new ATOM 0 HG2 GLU A 865 23.144 2.486 26.269 1.00 20.80 H new ATOM 0 HG3 GLU A 865 22.850 1.989 27.718 1.00 20.80 H new ATOM 1427 N LYS A 866 21.111 -1.223 24.114 1.00 19.04 N ATOM 1428 CA LYS A 866 20.489 -2.418 23.551 1.00 20.57 C ATOM 1429 C LYS A 866 21.231 -2.985 22.396 1.00 18.74 C ATOM 1430 O LYS A 866 21.501 -4.198 22.321 1.00 18.27 O ATOM 1431 CB LYS A 866 19.050 -2.140 23.098 1.00 23.14 C ATOM 1432 CG LYS A 866 18.027 -2.176 24.214 1.00 31.78 C ATOM 1433 CD LYS A 866 16.604 -1.973 23.653 1.00 37.42 C ATOM 1434 CE LYS A 866 15.622 -1.492 24.716 1.00 43.25 C ATOM 1435 NZ LYS A 866 15.089 -2.644 25.492 1.00 48.13 N ATOM 0 H LYS A 866 20.597 -0.533 24.132 1.00 19.04 H new ATOM 0 HA LYS A 866 20.502 -3.066 24.272 1.00 20.57 H new ATOM 0 HB2 LYS A 866 19.019 -1.269 22.673 1.00 23.14 H new ATOM 0 HB3 LYS A 866 18.802 -2.793 22.425 1.00 23.14 H new ATOM 0 HG2 LYS A 866 18.078 -3.026 24.679 1.00 31.78 H new ATOM 0 HG3 LYS A 866 18.226 -1.484 24.864 1.00 31.78 H new ATOM 0 HD2 LYS A 866 16.634 -1.328 22.929 1.00 37.42 H new ATOM 0 HD3 LYS A 866 16.285 -2.808 23.277 1.00 37.42 H new ATOM 0 HE2 LYS A 866 16.064 -0.869 25.314 1.00 43.25 H new ATOM 0 HE3 LYS A 866 14.891 -1.012 24.296 1.00 43.25 H new ATOM 0 HZ1 LYS A 866 14.518 -2.349 26.108 1.00 48.13 H new ATOM 0 HZ2 LYS A 866 14.669 -3.204 24.942 1.00 48.13 H new ATOM 0 HZ3 LYS A 866 15.761 -3.070 25.891 1.00 48.13 H new ATOM 1436 N ASN A 867 21.524 -2.137 21.435 1.00 19.65 N ATOM 1437 CA ASN A 867 22.301 -2.535 20.254 1.00 19.73 C ATOM 1438 C ASN A 867 23.753 -2.986 20.590 1.00 18.54 C ATOM 1439 O ASN A 867 24.254 -3.915 19.986 1.00 16.47 O ATOM 1440 CB ASN A 867 22.254 -1.485 19.168 1.00 18.79 C ATOM 1441 CG ASN A 867 20.931 -1.525 18.407 1.00 19.15 C ATOM 1442 OD1 ASN A 867 20.718 -2.394 17.572 1.00 19.30 O ATOM 1443 ND2 ASN A 867 20.055 -0.581 18.690 1.00 19.26 N ATOM 0 H ASN A 867 21.284 -1.311 21.437 1.00 19.65 H new ATOM 0 HA ASN A 867 21.865 -3.326 19.901 1.00 19.73 H new ATOM 0 HB2 ASN A 867 22.376 -0.606 19.560 1.00 18.79 H new ATOM 0 HB3 ASN A 867 22.988 -1.624 18.550 1.00 18.79 H new ATOM 0 HD21 ASN A 867 19.299 -0.560 18.281 1.00 19.26 H new ATOM 0 HD22 ASN A 867 20.240 0.013 19.283 1.00 19.26 H new ATOM 1444 N PHE A 868 24.373 -2.315 21.564 1.00 16.34 N ATOM 1445 CA PHE A 868 25.689 -2.725 22.032 1.00 16.43 C ATOM 1446 C PHE A 868 25.628 -4.153 22.590 1.00 15.72 C ATOM 1447 O PHE A 868 26.458 -4.963 22.250 1.00 19.14 O ATOM 1448 CB PHE A 868 26.175 -1.748 23.085 1.00 15.47 C ATOM 1449 CG PHE A 868 27.472 -2.191 23.742 1.00 19.22 C ATOM 1450 CD1 PHE A 868 28.654 -2.110 23.056 1.00 15.66 C ATOM 1451 CD2 PHE A 868 27.476 -2.689 25.048 1.00 20.96 C ATOM 1452 CE1 PHE A 868 29.882 -2.500 23.649 1.00 19.75 C ATOM 1453 CE2 PHE A 868 28.669 -3.127 25.634 1.00 22.49 C ATOM 1454 CZ PHE A 868 29.881 -3.015 24.931 1.00 19.80 C ATOM 0 H PHE A 868 24.048 -1.625 21.961 1.00 16.34 H new ATOM 0 HA PHE A 868 26.316 -2.720 21.292 1.00 16.43 H new ATOM 0 HB2 PHE A 868 26.304 -0.877 22.678 1.00 15.47 H new ATOM 0 HB3 PHE A 868 25.491 -1.645 23.765 1.00 15.47 H new ATOM 0 HD1 PHE A 868 28.652 -1.792 22.182 1.00 15.66 H new ATOM 0 HD2 PHE A 868 26.682 -2.729 25.530 1.00 20.96 H new ATOM 0 HE1 PHE A 868 30.680 -2.410 23.180 1.00 19.75 H new ATOM 0 HE2 PHE A 868 28.660 -3.492 26.489 1.00 22.49 H new ATOM 0 HZ PHE A 868 30.678 -3.286 25.327 1.00 19.80 H new ATOM 1455 N ARG A 869 24.678 -4.434 23.484 1.00 17.95 N ATOM 1456 CA ARG A 869 24.517 -5.774 24.096 1.00 19.66 C ATOM 1457 C ARG A 869 24.259 -6.847 23.020 1.00 22.08 C ATOM 1458 O ARG A 869 24.829 -7.942 23.093 1.00 17.29 O ATOM 1459 CB ARG A 869 23.427 -5.778 25.124 1.00 17.99 C ATOM 1460 CG ARG A 869 23.887 -5.037 26.341 1.00 20.12 C ATOM 1461 CD ARG A 869 22.938 -5.153 27.517 1.00 19.83 C ATOM 1462 NE ARG A 869 21.560 -4.823 27.272 1.00 20.58 N ATOM 1463 CZ ARG A 869 21.022 -3.622 27.442 1.00 24.69 C ATOM 1464 NH1 ARG A 869 21.726 -2.568 27.863 1.00 24.42 N ATOM 1465 NH2 ARG A 869 19.748 -3.465 27.202 1.00 25.98 N ATOM 0 H ARG A 869 24.103 -3.856 23.759 1.00 17.95 H new ATOM 0 HA ARG A 869 25.349 -5.991 24.546 1.00 19.66 H new ATOM 0 HB2 ARG A 869 22.628 -5.363 24.764 1.00 17.99 H new ATOM 0 HB3 ARG A 869 23.193 -6.690 25.358 1.00 17.99 H new ATOM 0 HG2 ARG A 869 24.758 -5.372 26.604 1.00 20.12 H new ATOM 0 HG3 ARG A 869 23.999 -4.100 26.117 1.00 20.12 H new ATOM 0 HD2 ARG A 869 22.977 -6.064 27.848 1.00 19.83 H new ATOM 0 HD3 ARG A 869 23.265 -4.579 28.227 1.00 19.83 H new ATOM 0 HE ARG A 869 21.045 -5.453 26.994 1.00 20.58 H new ATOM 0 HH11 ARG A 869 22.564 -2.652 28.036 1.00 24.42 H new ATOM 0 HH12 ARG A 869 21.341 -1.805 27.961 1.00 24.42 H new ATOM 0 HH21 ARG A 869 19.274 -4.133 26.939 1.00 25.98 H new ATOM 0 HH22 ARG A 869 19.383 -2.694 27.307 1.00 25.98 H new ATOM 1466 N ASN A 870 23.494 -6.485 21.988 1.00 19.84 N ATOM 1467 CA ASN A 870 23.206 -7.432 20.896 1.00 22.26 C ATOM 1468 C ASN A 870 24.459 -7.705 20.003 1.00 21.96 C ATOM 1469 O ASN A 870 24.861 -8.838 19.777 1.00 21.05 O ATOM 1470 CB ASN A 870 22.041 -6.905 20.054 1.00 22.18 C ATOM 1471 CG ASN A 870 21.744 -7.793 18.839 1.00 30.36 C ATOM 1472 OD1 ASN A 870 22.145 -7.487 17.721 1.00 35.93 O ATOM 1473 ND2 ASN A 870 21.090 -8.892 19.057 1.00 31.13 N ATOM 0 H ASN A 870 23.135 -5.709 21.897 1.00 19.84 H new ATOM 0 HA ASN A 870 22.959 -8.281 21.294 1.00 22.26 H new ATOM 0 HB2 ASN A 870 21.247 -6.844 20.608 1.00 22.18 H new ATOM 0 HB3 ASN A 870 22.245 -6.006 19.752 1.00 22.18 H new ATOM 0 HD21 ASN A 870 20.926 -9.431 18.407 1.00 31.13 H new ATOM 0 HD22 ASN A 870 20.820 -9.082 19.851 1.00 31.13 H new ATOM 1474 N ILE A 871 25.033 -6.654 19.444 1.00 20.49 N ATOM 1475 CA ILE A 871 26.088 -6.745 18.471 1.00 20.65 C ATOM 1476 C ILE A 871 27.339 -7.422 19.049 1.00 21.99 C ATOM 1477 O ILE A 871 28.050 -8.141 18.320 1.00 20.13 O ATOM 1478 CB ILE A 871 26.428 -5.357 17.942 1.00 21.33 C ATOM 1479 CG1 ILE A 871 25.243 -4.848 17.076 1.00 22.98 C ATOM 1480 CG2 ILE A 871 27.727 -5.308 17.158 1.00 19.40 C ATOM 1481 CD1 ILE A 871 25.288 -3.330 16.834 1.00 20.36 C ATOM 0 H ILE A 871 24.808 -5.845 19.630 1.00 20.49 H new ATOM 0 HA ILE A 871 25.773 -7.298 17.739 1.00 20.65 H new ATOM 0 HB ILE A 871 26.565 -4.777 18.707 1.00 21.33 H new ATOM 0 HG12 ILE A 871 25.252 -5.308 16.222 1.00 22.98 H new ATOM 0 HG13 ILE A 871 24.408 -5.077 17.513 1.00 22.98 H new ATOM 0 HG21 ILE A 871 27.886 -4.402 16.850 1.00 19.40 H new ATOM 0 HG22 ILE A 871 28.460 -5.588 17.728 1.00 19.40 H new ATOM 0 HG23 ILE A 871 27.667 -5.902 16.394 1.00 19.40 H new ATOM 0 HD11 ILE A 871 24.529 -3.066 16.290 1.00 20.36 H new ATOM 0 HD12 ILE A 871 25.253 -2.865 17.685 1.00 20.36 H new ATOM 0 HD13 ILE A 871 26.110 -3.100 16.374 1.00 20.36 H new ATOM 1482 N PHE A 872 27.622 -7.162 20.324 1.00 19.97 N ATOM 1483 CA PHE A 872 28.839 -7.651 20.921 1.00 21.70 C ATOM 1484 C PHE A 872 28.536 -8.829 21.800 1.00 21.04 C ATOM 1485 O PHE A 872 29.417 -9.232 22.543 1.00 21.11 O ATOM 1486 CB PHE A 872 29.565 -6.517 21.700 1.00 19.22 C ATOM 1487 CG PHE A 872 30.264 -5.577 20.835 1.00 18.03 C ATOM 1488 CD1 PHE A 872 31.542 -5.843 20.402 1.00 19.33 C ATOM 1489 CD2 PHE A 872 29.692 -4.385 20.489 1.00 18.73 C ATOM 1490 CE1 PHE A 872 32.217 -4.945 19.595 1.00 20.81 C ATOM 1491 CE2 PHE A 872 30.346 -3.480 19.658 1.00 19.26 C ATOM 1492 CZ PHE A 872 31.629 -3.724 19.252 1.00 18.89 C ATOM 0 H PHE A 872 27.119 -6.705 20.851 1.00 19.97 H new ATOM 0 HA PHE A 872 29.442 -7.946 20.221 1.00 21.70 H new ATOM 0 HB2 PHE A 872 28.915 -6.033 22.234 1.00 19.22 H new ATOM 0 HB3 PHE A 872 30.201 -6.913 22.317 1.00 19.22 H new ATOM 0 HD1 PHE A 872 31.957 -6.636 20.655 1.00 19.33 H new ATOM 0 HD2 PHE A 872 28.847 -4.174 20.816 1.00 18.73 H new ATOM 0 HE1 PHE A 872 33.066 -5.155 19.279 1.00 20.81 H new ATOM 0 HE2 PHE A 872 29.910 -2.708 19.378 1.00 19.26 H new ATOM 0 HZ PHE A 872 32.100 -3.092 18.759 1.00 18.89 H new ATOM 1493 N ALA A 873 27.270 -9.324 21.800 1.00 21.74 N ATOM 1494 CA ALA A 873 26.891 -10.553 22.469 1.00 21.09 C ATOM 1495 C ALA A 873 27.256 -10.542 23.981 1.00 23.43 C ATOM 1496 O ALA A 873 27.910 -11.504 24.534 1.00 19.03 O ATOM 1497 CB ALA A 873 27.575 -11.733 21.769 1.00 21.40 C ATOM 0 H ALA A 873 26.615 -8.935 21.401 1.00 21.74 H new ATOM 0 HA ALA A 873 25.927 -10.640 22.414 1.00 21.09 H new ATOM 0 HB1 ALA A 873 27.326 -12.560 22.211 1.00 21.40 H new ATOM 0 HB2 ALA A 873 27.294 -11.766 20.841 1.00 21.40 H new ATOM 0 HB3 ALA A 873 28.538 -11.621 21.812 1.00 21.40 H new ATOM 1498 N ILE A 874 26.834 -9.482 24.645 1.00 21.21 N ATOM 1499 CA ILE A 874 27.111 -9.322 26.062 1.00 22.09 C ATOM 1500 C ILE A 874 26.244 -10.283 26.822 1.00 24.64 C ATOM 1501 O ILE A 874 25.101 -10.426 26.507 1.00 21.66 O ATOM 1502 CB ILE A 874 26.770 -7.927 26.551 1.00 22.55 C ATOM 1503 CG1 ILE A 874 27.609 -6.900 25.839 1.00 22.35 C ATOM 1504 CG2 ILE A 874 26.845 -7.819 28.080 1.00 25.49 C ATOM 1505 CD1 ILE A 874 29.086 -6.970 26.005 1.00 24.94 C ATOM 0 H ILE A 874 26.383 -8.840 24.293 1.00 21.21 H new ATOM 0 HA ILE A 874 28.057 -9.483 26.202 1.00 22.09 H new ATOM 0 HB ILE A 874 25.845 -7.741 26.327 1.00 22.55 H new ATOM 0 HG12 ILE A 874 27.413 -6.961 24.891 1.00 22.35 H new ATOM 0 HG13 ILE A 874 27.318 -6.023 26.133 1.00 22.35 H new ATOM 0 HG21 ILE A 874 26.621 -6.915 28.352 1.00 25.49 H new ATOM 0 HG22 ILE A 874 26.218 -8.441 28.480 1.00 25.49 H new ATOM 0 HG23 ILE A 874 27.744 -8.032 28.376 1.00 25.49 H new ATOM 0 HD11 ILE A 874 29.503 -6.256 25.497 1.00 24.94 H new ATOM 0 HD12 ILE A 874 29.311 -6.873 26.943 1.00 24.94 H new ATOM 0 HD13 ILE A 874 29.408 -7.826 25.682 1.00 24.94 H new ATOM 1506 N GLN A 875 26.787 -10.915 27.860 1.00 23.38 N ATOM 1507 CA GLN A 875 26.065 -11.970 28.567 1.00 25.41 C ATOM 1508 C GLN A 875 24.831 -11.355 29.195 1.00 23.72 C ATOM 1509 O GLN A 875 24.908 -10.356 29.874 1.00 24.07 O ATOM 1510 CB GLN A 875 26.996 -12.608 29.649 1.00 27.02 C ATOM 1511 CG GLN A 875 26.337 -13.532 30.685 1.00 29.00 C ATOM 1512 CD GLN A 875 25.685 -14.768 30.047 1.00 29.23 C ATOM 1513 OE1 GLN A 875 26.324 -15.481 29.297 1.00 25.33 O ATOM 1514 NE2 GLN A 875 24.423 -15.004 30.348 1.00 26.39 N ATOM 0 H GLN A 875 27.571 -10.748 28.170 1.00 23.38 H new ATOM 0 HA GLN A 875 25.796 -12.675 27.958 1.00 25.41 H new ATOM 0 HB2 GLN A 875 27.686 -13.113 29.192 1.00 27.02 H new ATOM 0 HB3 GLN A 875 27.439 -11.889 30.126 1.00 27.02 H new ATOM 0 HG2 GLN A 875 27.004 -13.819 31.328 1.00 29.00 H new ATOM 0 HG3 GLN A 875 25.665 -13.034 31.176 1.00 29.00 H new ATOM 0 HE21 GLN A 875 24.003 -14.478 30.883 1.00 26.39 H new ATOM 0 HE22 GLN A 875 24.020 -15.684 30.010 1.00 26.39 H new ATOM 1515 N GLU A 876 23.689 -11.962 28.981 1.00 24.29 N ATOM 1516 CA GLU A 876 22.464 -11.491 29.622 1.00 29.94 C ATOM 1517 C GLU A 876 22.487 -11.678 31.138 1.00 34.98 C ATOM 1518 O GLU A 876 22.990 -12.746 31.660 1.00 27.48 O ATOM 1519 CB GLU A 876 21.260 -12.208 29.043 1.00 34.07 C ATOM 1520 CG GLU A 876 20.996 -11.777 27.583 1.00 40.07 C ATOM 1521 CD GLU A 876 20.048 -10.559 27.455 1.00 41.81 C ATOM 1522 OE1 GLU A 876 18.885 -10.612 27.896 1.00 45.92 O ATOM 1523 OE2 GLU A 876 20.460 -9.537 26.902 1.00 45.41 O ATOM 0 H GLU A 876 23.590 -12.648 28.471 1.00 24.29 H new ATOM 0 HA GLU A 876 22.402 -10.539 29.444 1.00 29.94 H new ATOM 0 HB2 GLU A 876 21.404 -13.167 29.078 1.00 34.07 H new ATOM 0 HB3 GLU A 876 20.478 -12.019 29.584 1.00 34.07 H new ATOM 0 HG2 GLU A 876 21.842 -11.564 27.159 1.00 40.07 H new ATOM 0 HG3 GLU A 876 20.616 -12.525 27.097 1.00 40.07 H new ATOM 1524 N THR A 877 22.003 -10.637 31.833 1.00 36.99 N ATOM 1525 CA THR A 877 21.806 -10.665 33.313 1.00 50.64 C ATOM 1526 C THR A 877 20.430 -10.104 33.734 1.00 61.68 C ATOM 1527 O THR A 877 19.708 -9.548 32.904 1.00 69.23 O ATOM 1528 CB THR A 877 22.906 -9.852 34.043 1.00 50.61 C ATOM 1529 OG1 THR A 877 22.840 -8.497 33.626 1.00 51.02 O ATOM 1530 CG2 THR A 877 24.308 -10.372 33.733 1.00 50.72 C ATOM 0 H THR A 877 21.777 -9.892 31.468 1.00 36.99 H new ATOM 0 HA THR A 877 21.857 -11.599 33.568 1.00 50.64 H new ATOM 0 HB THR A 877 22.746 -9.940 34.996 1.00 50.61 H new ATOM 0 HG1 THR A 877 23.434 -8.053 34.021 1.00 51.02 H new ATOM 0 HG21 THR A 877 24.964 -9.838 34.208 1.00 50.72 H new ATOM 0 HG22 THR A 877 24.380 -11.297 34.015 1.00 50.72 H new ATOM 0 HG23 THR A 877 24.472 -10.312 32.779 1.00 50.72 H new ATOM 1531 N SER A 878 20.087 -10.260 35.024 1.00 81.50 N ATOM 1532 CA SER A 878 18.937 -9.561 35.687 1.00 78.96 C ATOM 1533 C SER A 878 19.433 -8.329 36.411 1.00 78.59 C ATOM 1534 O SER A 878 19.596 -7.284 35.800 1.00 92.15 O ATOM 1535 CB SER A 878 18.230 -10.451 36.721 1.00 76.39 C ATOM 1536 OG SER A 878 19.178 -11.103 37.554 1.00 72.97 O ATOM 0 H SER A 878 20.516 -10.781 35.556 1.00 81.50 H new ATOM 0 HA SER A 878 18.309 -9.333 34.984 1.00 78.96 H new ATOM 0 HB2 SER A 878 17.632 -9.913 37.263 1.00 76.39 H new ATOM 0 HB3 SER A 878 17.684 -11.111 36.267 1.00 76.39 H new ATOM 0 HG SER A 878 18.776 -11.584 38.114 1.00 72.97 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.617 40.668 40.589 1.00 63.54 N ATOM 1539 CA GLU B 700 -5.676 40.809 39.442 1.00 63.00 C ATOM 1540 C GLU B 700 -5.531 39.541 38.547 1.00 65.87 C ATOM 1541 O GLU B 700 -4.681 39.554 37.655 1.00 80.76 O ATOM 1542 CB GLU B 700 -4.301 41.259 39.950 1.00 54.13 C ATOM 0 HA GLU B 700 -6.069 41.482 38.865 1.00 63.00 H new ATOM 1543 N ASN B 701 -6.304 38.467 38.795 1.00 59.08 N ATOM 1544 CA ASN B 701 -6.417 37.297 37.867 1.00 59.53 C ATOM 1545 C ASN B 701 -7.861 36.932 37.445 1.00 58.88 C ATOM 1546 O ASN B 701 -8.755 36.904 38.286 1.00 66.94 O ATOM 1547 CB ASN B 701 -5.827 36.035 38.506 1.00 63.29 C ATOM 1548 CG ASN B 701 -4.304 36.012 38.493 1.00 65.84 C ATOM 1549 OD1 ASN B 701 -3.663 35.795 37.447 1.00 60.39 O ATOM 1550 ND2 ASN B 701 -3.718 36.174 39.671 1.00 61.89 N ATOM 0 H ASN B 701 -6.782 38.388 39.506 1.00 59.08 H new ATOM 0 HA ASN B 701 -5.930 37.584 37.079 1.00 59.53 H new ATOM 0 HB2 ASN B 701 -6.138 35.968 39.422 1.00 63.29 H new ATOM 0 HB3 ASN B 701 -6.160 35.255 38.035 1.00 63.29 H new ATOM 0 HD21 ASN B 701 -2.861 36.131 39.735 1.00 61.89 H new ATOM 0 HD22 ASN B 701 -4.194 36.322 40.371 1.00 61.89 H new ATOM 1551 N SER B 702 -8.065 36.569 36.170 1.00 51.01 N ATOM 1552 CA SER B 702 -9.372 36.136 35.664 1.00 41.64 C ATOM 1553 C SER B 702 -9.971 35.054 36.526 1.00 38.37 C ATOM 1554 O SER B 702 -9.256 34.233 37.081 1.00 35.11 O ATOM 1555 CB SER B 702 -9.252 35.636 34.201 1.00 39.55 C ATOM 1556 OG SER B 702 -10.517 35.322 33.613 1.00 36.34 O ATOM 0 H SER B 702 -7.445 36.568 35.574 1.00 51.01 H new ATOM 0 HA SER B 702 -9.962 36.906 35.692 1.00 41.64 H new ATOM 0 HB2 SER B 702 -8.813 36.316 33.667 1.00 39.55 H new ATOM 0 HB3 SER B 702 -8.686 34.848 34.179 1.00 39.55 H new ATOM 0 HG SER B 702 -10.402 35.058 32.824 1.00 36.34 H new ATOM 1557 N ASN B 703 -11.306 35.030 36.635 1.00 38.22 N ATOM 1558 CA ASN B 703 -11.988 33.898 37.289 1.00 38.58 C ATOM 1559 C ASN B 703 -12.535 32.865 36.304 1.00 34.49 C ATOM 1560 O ASN B 703 -13.358 32.026 36.638 1.00 36.37 O ATOM 1561 CB ASN B 703 -13.118 34.419 38.151 1.00 50.50 C ATOM 1562 CG ASN B 703 -14.197 35.043 37.325 1.00 54.93 C ATOM 1563 OD1 ASN B 703 -13.922 35.864 36.412 1.00 59.87 O ATOM 1564 ND2 ASN B 703 -15.432 34.672 37.623 1.00 63.91 N ATOM 0 H ASN B 703 -11.829 35.647 36.343 1.00 38.22 H new ATOM 0 HA ASN B 703 -11.321 33.445 37.828 1.00 38.58 H new ATOM 0 HB2 ASN B 703 -13.489 33.691 38.674 1.00 50.50 H new ATOM 0 HB3 ASN B 703 -12.772 35.072 38.780 1.00 50.50 H new ATOM 0 HD21 ASN B 703 -16.096 34.996 37.183 1.00 63.91 H new ATOM 0 HD22 ASN B 703 -15.570 34.107 38.256 1.00 63.91 H new ATOM 1565 N ILE B 704 -12.116 32.933 35.061 1.00 37.59 N ATOM 1566 CA ILE B 704 -12.432 31.828 34.118 1.00 36.96 C ATOM 1567 C ILE B 704 -11.143 31.405 33.419 1.00 29.73 C ATOM 1568 O ILE B 704 -10.281 32.232 33.176 1.00 33.05 O ATOM 1569 CB ILE B 704 -13.499 32.212 33.065 1.00 35.74 C ATOM 1570 CG1 ILE B 704 -13.161 33.555 32.426 1.00 36.44 C ATOM 1571 CG2 ILE B 704 -14.894 32.232 33.689 1.00 40.75 C ATOM 1572 CD1 ILE B 704 -14.006 33.875 31.206 1.00 39.25 C ATOM 0 H ILE B 704 -11.659 33.581 34.729 1.00 37.59 H new ATOM 0 HA ILE B 704 -12.808 31.098 34.634 1.00 36.96 H new ATOM 0 HB ILE B 704 -13.497 31.539 32.367 1.00 35.74 H new ATOM 0 HG12 ILE B 704 -13.278 34.257 33.085 1.00 36.44 H new ATOM 0 HG13 ILE B 704 -12.225 33.558 32.172 1.00 36.44 H new ATOM 0 HG21 ILE B 704 -15.547 32.474 33.014 1.00 40.75 H new ATOM 0 HG22 ILE B 704 -15.104 31.353 34.041 1.00 40.75 H new ATOM 0 HG23 ILE B 704 -14.917 32.882 34.409 1.00 40.75 H new ATOM 0 HD11 ILE B 704 -13.744 34.737 30.848 1.00 39.25 H new ATOM 0 HD12 ILE B 704 -13.873 33.191 30.531 1.00 39.25 H new ATOM 0 HD13 ILE B 704 -14.942 33.901 31.458 1.00 39.25 H new ATOM 1573 N CYS B 705 -11.091 30.115 33.095 1.00 29.81 N ATOM 1574 CA CYS B 705 -10.054 29.511 32.283 1.00 27.83 C ATOM 1575 C CYS B 705 -9.941 30.235 30.957 1.00 27.92 C ATOM 1576 O CYS B 705 -10.956 30.390 30.283 1.00 26.84 O ATOM 1577 CB CYS B 705 -10.388 28.062 32.027 1.00 27.57 C ATOM 1578 SG CYS B 705 -9.159 27.111 31.041 1.00 24.53 S ATOM 0 H CYS B 705 -11.685 29.550 33.355 1.00 29.81 H new ATOM 0 HA CYS B 705 -9.210 29.575 32.757 1.00 27.83 H new ATOM 0 HB2 CYS B 705 -10.502 27.619 32.882 1.00 27.57 H new ATOM 0 HB3 CYS B 705 -11.243 28.022 31.571 1.00 27.57 H new ATOM 1579 N GLU B 706 -8.699 30.562 30.544 1.00 23.87 N ATOM 1580 CA GLU B 706 -8.422 31.298 29.337 1.00 24.77 C ATOM 1581 C GLU B 706 -8.749 30.491 28.089 1.00 22.90 C ATOM 1582 O GLU B 706 -9.017 31.069 27.053 1.00 24.60 O ATOM 1583 CB GLU B 706 -6.910 31.587 29.263 1.00 27.45 C ATOM 1584 CG GLU B 706 -6.452 32.468 28.122 1.00 29.89 C ATOM 1585 CD GLU B 706 -6.738 33.927 28.439 1.00 32.02 C ATOM 1586 OE1 GLU B 706 -7.337 34.178 29.530 1.00 38.31 O ATOM 1587 OE2 GLU B 706 -6.337 34.787 27.628 1.00 29.19 O ATOM 0 H GLU B 706 -7.991 30.348 30.982 1.00 23.87 H new ATOM 0 HA GLU B 706 -8.963 32.103 29.366 1.00 24.77 H new ATOM 0 HB2 GLU B 706 -6.638 32.002 30.096 1.00 27.45 H new ATOM 0 HB3 GLU B 706 -6.441 30.740 29.201 1.00 27.45 H new ATOM 0 HG2 GLU B 706 -5.502 32.343 27.969 1.00 29.89 H new ATOM 0 HG3 GLU B 706 -6.907 32.212 27.304 1.00 29.89 H new ATOM 1588 N VAL B 707 -8.665 29.195 28.188 1.00 19.84 N ATOM 1589 CA VAL B 707 -8.844 28.318 27.053 1.00 22.13 C ATOM 1590 C VAL B 707 -10.313 27.971 26.769 1.00 24.97 C ATOM 1591 O VAL B 707 -10.825 28.161 25.624 1.00 25.97 O ATOM 1592 CB VAL B 707 -8.055 26.994 27.304 1.00 20.37 C ATOM 1593 CG1 VAL B 707 -8.142 26.103 26.105 1.00 21.23 C ATOM 1594 CG2 VAL B 707 -6.565 27.349 27.517 1.00 19.90 C ATOM 0 H VAL B 707 -8.500 28.784 28.925 1.00 19.84 H new ATOM 0 HA VAL B 707 -8.510 28.794 26.277 1.00 22.13 H new ATOM 0 HB VAL B 707 -8.430 26.542 28.076 1.00 20.37 H new ATOM 0 HG11 VAL B 707 -7.649 25.285 26.273 1.00 21.23 H new ATOM 0 HG12 VAL B 707 -9.071 25.889 25.927 1.00 21.23 H new ATOM 0 HG13 VAL B 707 -7.763 26.557 25.336 1.00 21.23 H new ATOM 0 HG21 VAL B 707 -6.058 26.537 27.675 1.00 19.90 H new ATOM 0 HG22 VAL B 707 -6.222 27.795 26.727 1.00 19.90 H new ATOM 0 HG23 VAL B 707 -6.479 27.938 28.283 1.00 19.90 H new ATOM 1595 N CYS B 708 -10.952 27.440 27.795 1.00 22.88 N ATOM 1596 CA CYS B 708 -12.354 26.915 27.711 1.00 24.41 C ATOM 1597 C CYS B 708 -13.413 27.856 28.254 1.00 25.90 C ATOM 1598 O CYS B 708 -14.590 27.530 28.174 1.00 25.27 O ATOM 1599 CB CYS B 708 -12.512 25.564 28.423 1.00 23.24 C ATOM 1600 SG CYS B 708 -12.583 25.597 30.282 1.00 25.66 S ATOM 0 H CYS B 708 -10.602 27.363 28.577 1.00 22.88 H new ATOM 0 HA CYS B 708 -12.500 26.817 26.757 1.00 24.41 H new ATOM 0 HB2 CYS B 708 -13.323 25.144 28.097 1.00 23.24 H new ATOM 0 HB3 CYS B 708 -11.772 24.995 28.159 1.00 23.24 H new ATOM 1601 N ASN B 709 -13.008 28.987 28.821 1.00 28.67 N ATOM 1602 CA ASN B 709 -13.916 29.951 29.434 1.00 33.12 C ATOM 1603 C ASN B 709 -14.864 29.439 30.556 1.00 37.02 C ATOM 1604 O ASN B 709 -15.851 30.099 30.840 1.00 38.94 O ATOM 1605 CB ASN B 709 -14.696 30.669 28.316 1.00 34.32 C ATOM 1606 CG ASN B 709 -13.786 31.175 27.225 1.00 38.21 C ATOM 1607 OD1 ASN B 709 -13.660 30.550 26.152 1.00 48.52 O ATOM 1608 ND2 ASN B 709 -13.095 32.273 27.499 1.00 37.35 N ATOM 0 H ASN B 709 -12.181 29.221 28.861 1.00 28.67 H new ATOM 0 HA ASN B 709 -13.343 30.559 29.927 1.00 33.12 H new ATOM 0 HB2 ASN B 709 -15.348 30.060 27.935 1.00 34.32 H new ATOM 0 HB3 ASN B 709 -15.190 31.413 28.694 1.00 34.32 H new ATOM 0 HD21 ASN B 709 -12.533 32.581 26.926 1.00 37.35 H new ATOM 0 HD22 ASN B 709 -13.209 32.677 28.250 1.00 37.35 H new ATOM 1609 N LYS B 710 -14.565 28.304 31.197 1.00 31.60 N ATOM 1610 CA LYS B 710 -15.320 27.803 32.312 1.00 33.92 C ATOM 1611 C LYS B 710 -14.617 28.152 33.655 1.00 39.30 C ATOM 1612 O LYS B 710 -13.426 28.482 33.710 1.00 42.78 O ATOM 1613 CB LYS B 710 -15.492 26.305 32.199 1.00 37.23 C ATOM 1614 CG LYS B 710 -16.179 25.869 30.925 1.00 46.44 C ATOM 1615 CD LYS B 710 -17.500 26.597 30.723 1.00 52.00 C ATOM 1616 CE LYS B 710 -18.259 26.058 29.513 1.00 66.11 C ATOM 1617 NZ LYS B 710 -19.698 26.472 29.428 1.00 68.26 N ATOM 0 H LYS B 710 -13.900 27.804 30.979 1.00 31.60 H new ATOM 0 HA LYS B 710 -16.193 28.225 32.299 1.00 33.92 H new ATOM 0 HB2 LYS B 710 -14.620 25.882 32.248 1.00 37.23 H new ATOM 0 HB3 LYS B 710 -16.005 25.988 32.959 1.00 37.23 H new ATOM 0 HG2 LYS B 710 -15.596 26.038 30.168 1.00 46.44 H new ATOM 0 HG3 LYS B 710 -16.337 24.912 30.953 1.00 46.44 H new ATOM 0 HD2 LYS B 710 -18.048 26.502 31.518 1.00 52.00 H new ATOM 0 HD3 LYS B 710 -17.333 27.545 30.605 1.00 52.00 H new ATOM 0 HE2 LYS B 710 -17.805 26.350 28.707 1.00 66.11 H new ATOM 0 HE3 LYS B 710 -18.216 25.089 29.527 1.00 66.11 H new ATOM 0 HZ1 LYS B 710 -20.066 26.118 28.699 1.00 68.26 H new ATOM 0 HZ2 LYS B 710 -20.133 26.184 30.149 1.00 68.26 H new ATOM 0 HZ3 LYS B 710 -19.750 27.359 29.385 1.00 68.26 H new ATOM 1618 N TRP B 711 -15.394 28.114 34.722 1.00 36.68 N ATOM 1619 CA TRP B 711 -14.980 28.544 36.058 1.00 38.49 C ATOM 1620 C TRP B 711 -14.451 27.303 36.766 1.00 31.43 C ATOM 1621 O TRP B 711 -14.606 26.158 36.295 1.00 28.30 O ATOM 1622 CB TRP B 711 -16.199 29.139 36.871 1.00 45.83 C ATOM 1623 CG TRP B 711 -16.914 28.078 37.694 1.00 47.90 C ATOM 1624 CD1 TRP B 711 -17.538 26.952 37.201 1.00 54.34 C ATOM 1625 CD2 TRP B 711 -17.013 27.990 39.143 1.00 56.57 C ATOM 1626 NE1 TRP B 711 -18.006 26.164 38.244 1.00 63.62 N ATOM 1627 CE2 TRP B 711 -17.719 26.775 39.441 1.00 61.18 C ATOM 1628 CE3 TRP B 711 -16.611 28.826 40.218 1.00 57.60 C ATOM 1629 CZ2 TRP B 711 -18.036 26.370 40.782 1.00 62.01 C ATOM 1630 CZ3 TRP B 711 -16.932 28.415 41.562 1.00 56.22 C ATOM 1631 CH2 TRP B 711 -17.628 27.197 41.818 1.00 54.88 C ATOM 0 H TRP B 711 -16.205 27.829 34.695 1.00 36.68 H new ATOM 0 HA TRP B 711 -14.308 29.241 35.995 1.00 38.49 H new ATOM 0 HB2 TRP B 711 -15.881 29.842 37.459 1.00 45.83 H new ATOM 0 HB3 TRP B 711 -16.828 29.547 36.255 1.00 45.83 H new ATOM 0 HD1 TRP B 711 -17.632 26.749 36.298 1.00 54.34 H new ATOM 0 HE1 TRP B 711 -18.412 25.411 38.155 1.00 63.62 H new ATOM 0 HE3 TRP B 711 -16.152 29.619 40.059 1.00 57.60 H new ATOM 0 HZ2 TRP B 711 -18.499 25.581 40.950 1.00 62.01 H new ATOM 0 HZ3 TRP B 711 -16.680 28.955 42.276 1.00 56.22 H new ATOM 0 HH2 TRP B 711 -17.812 26.953 42.696 1.00 54.88 H new ATOM 1632 N GLY B 712 -13.862 27.511 37.945 1.00 32.26 N ATOM 1633 CA GLY B 712 -13.554 26.375 38.823 1.00 36.00 C ATOM 1634 C GLY B 712 -12.229 25.638 38.639 1.00 36.53 C ATOM 1635 O GLY B 712 -11.813 25.353 37.528 1.00 37.29 O ATOM 0 H GLY B 712 -13.636 28.282 38.252 1.00 32.26 H new ATOM 0 HA2 GLY B 712 -13.587 26.694 39.738 1.00 36.00 H new ATOM 0 HA3 GLY B 712 -14.267 25.725 38.723 1.00 36.00 H new ATOM 1636 N ARG B 713 -11.580 25.310 39.757 1.00 34.16 N ATOM 1637 CA ARG B 713 -10.357 24.515 39.725 1.00 33.11 C ATOM 1638 C ARG B 713 -9.226 25.253 38.936 1.00 25.79 C ATOM 1639 O ARG B 713 -8.565 24.665 38.151 1.00 29.64 O ATOM 1640 CB ARG B 713 -10.710 23.152 39.137 1.00 34.23 C ATOM 1641 CG ARG B 713 -9.899 22.018 39.726 1.00 45.78 C ATOM 1642 CD ARG B 713 -10.345 20.627 39.304 1.00 49.44 C ATOM 1643 NE ARG B 713 -11.556 20.120 39.983 1.00 56.53 N ATOM 1644 CZ ARG B 713 -12.805 20.134 39.497 1.00 65.16 C ATOM 1645 NH1 ARG B 713 -13.794 19.629 40.233 1.00 63.26 N ATOM 1646 NH2 ARG B 713 -13.102 20.675 38.301 1.00 77.75 N ATOM 0 H ARG B 713 -11.834 25.540 40.546 1.00 34.16 H new ATOM 0 HA ARG B 713 -10.000 24.388 40.618 1.00 33.11 H new ATOM 0 HB2 ARG B 713 -11.653 22.978 39.284 1.00 34.23 H new ATOM 0 HB3 ARG B 713 -10.572 23.175 38.177 1.00 34.23 H new ATOM 0 HG2 ARG B 713 -8.970 22.136 39.473 1.00 45.78 H new ATOM 0 HG3 ARG B 713 -9.939 22.077 40.693 1.00 45.78 H new ATOM 0 HD2 ARG B 713 -10.506 20.631 38.347 1.00 49.44 H new ATOM 0 HD3 ARG B 713 -9.617 20.007 39.466 1.00 49.44 H new ATOM 0 HE ARG B 713 -11.449 19.783 40.767 1.00 56.53 H new ATOM 0 HH11 ARG B 713 -13.627 19.299 41.010 1.00 63.26 H new ATOM 0 HH12 ARG B 713 -14.599 19.633 39.932 1.00 63.26 H new ATOM 0 HH21 ARG B 713 -12.480 21.027 37.822 1.00 77.75 H new ATOM 0 HH22 ARG B 713 -13.913 20.669 38.016 1.00 77.75 H new ATOM 1647 N LEU B 714 -9.101 26.561 39.109 1.00 26.36 N ATOM 1648 CA LEU B 714 -8.256 27.367 38.328 1.00 26.16 C ATOM 1649 C LEU B 714 -6.857 27.615 38.966 1.00 31.66 C ATOM 1650 O LEU B 714 -6.713 27.876 40.194 1.00 31.14 O ATOM 1651 CB LEU B 714 -8.924 28.704 38.086 1.00 31.28 C ATOM 1652 CG LEU B 714 -10.185 28.718 37.236 1.00 33.80 C ATOM 1653 CD1 LEU B 714 -10.689 30.162 37.175 1.00 35.05 C ATOM 1654 CD2 LEU B 714 -9.922 28.160 35.822 1.00 31.99 C ATOM 0 H LEU B 714 -9.531 26.997 39.712 1.00 26.36 H new ATOM 0 HA LEU B 714 -8.107 26.885 37.499 1.00 26.16 H new ATOM 0 HB2 LEU B 714 -9.141 29.090 38.949 1.00 31.28 H new ATOM 0 HB3 LEU B 714 -8.275 29.291 37.668 1.00 31.28 H new ATOM 0 HG LEU B 714 -10.857 28.144 37.635 1.00 33.80 H new ATOM 0 HD11 LEU B 714 -11.495 30.201 36.637 1.00 35.05 H new ATOM 0 HD12 LEU B 714 -10.884 30.475 38.072 1.00 35.05 H new ATOM 0 HD13 LEU B 714 -10.008 30.726 36.777 1.00 35.05 H new ATOM 0 HD21 LEU B 714 -10.744 28.183 35.307 1.00 31.99 H new ATOM 0 HD22 LEU B 714 -9.249 28.701 35.380 1.00 31.99 H new ATOM 0 HD23 LEU B 714 -9.608 27.245 35.888 1.00 31.99 H new ATOM 1655 N PHE B 715 -5.833 27.552 38.123 1.00 31.18 N ATOM 1656 CA PHE B 715 -4.454 27.938 38.496 1.00 28.85 C ATOM 1657 C PHE B 715 -4.210 29.273 37.905 1.00 28.53 C ATOM 1658 O PHE B 715 -4.486 29.461 36.704 1.00 29.05 O ATOM 1659 CB PHE B 715 -3.517 26.959 37.930 1.00 27.76 C ATOM 1660 CG PHE B 715 -3.600 25.590 38.537 1.00 26.08 C ATOM 1661 CD1 PHE B 715 -4.486 24.668 38.070 1.00 26.93 C ATOM 1662 CD2 PHE B 715 -2.728 25.220 39.558 1.00 29.14 C ATOM 1663 CE1 PHE B 715 -4.533 23.399 38.609 1.00 32.01 C ATOM 1664 CE2 PHE B 715 -2.740 23.962 40.091 1.00 27.50 C ATOM 1665 CZ PHE B 715 -3.649 23.031 39.635 1.00 32.60 C ATOM 0 H PHE B 715 -5.909 27.283 37.310 1.00 31.18 H new ATOM 0 HA PHE B 715 -4.334 27.962 39.458 1.00 28.85 H new ATOM 0 HB2 PHE B 715 -3.680 26.887 36.976 1.00 27.76 H new ATOM 0 HB3 PHE B 715 -2.613 27.294 38.039 1.00 27.76 H new ATOM 0 HD1 PHE B 715 -5.066 24.896 37.380 1.00 26.93 H new ATOM 0 HD2 PHE B 715 -2.122 25.845 39.885 1.00 29.14 H new ATOM 0 HE1 PHE B 715 -5.154 22.784 38.291 1.00 32.01 H new ATOM 0 HE2 PHE B 715 -2.136 23.734 40.760 1.00 27.50 H new ATOM 0 HZ PHE B 715 -3.676 22.176 40.000 1.00 32.60 H new ATOM 1666 N CYS B 716 -3.763 30.225 38.726 1.00 31.08 N ATOM 1667 CA ACYS B 716 -3.498 31.570 38.236 0.64 33.12 C ATOM 1668 CA BCYS B 716 -3.469 31.601 38.307 0.36 34.81 C ATOM 1669 C CYS B 716 -2.025 31.741 37.857 1.00 31.54 C ATOM 1670 O CYS B 716 -1.130 31.198 38.484 1.00 34.54 O ATOM 1671 CB ACYS B 716 -3.918 32.632 39.268 0.64 40.32 C ATOM 1672 CB BCYS B 716 -3.705 32.605 39.465 0.36 41.93 C ATOM 1673 SG ACYS B 716 -5.660 32.586 39.746 0.64 45.80 S ATOM 1674 SG BCYS B 716 -2.436 32.676 40.791 0.36 54.04 S ATOM 0 H ACYS B 716 -3.609 30.110 39.564 0.64 31.08 H new ATOM 0 H BCYS B 716 -3.618 30.087 39.562 0.36 31.08 H new ATOM 0 HA ACYS B 716 -4.032 31.699 37.437 0.64 34.81 H new ATOM 0 HA BCYS B 716 -4.068 31.799 37.570 0.36 34.81 H new ATOM 0 HB2ACYS B 716 -3.375 32.522 40.064 0.64 41.93 H new ATOM 0 HB2BCYS B 716 -3.788 33.492 39.081 0.36 41.93 H new ATOM 0 HB3ACYS B 716 -3.719 33.510 38.908 0.64 41.93 H new ATOM 0 HB3BCYS B 716 -4.558 32.393 39.877 0.36 41.93 H new ATOM 0 HG ACYS B 716 -5.875 31.591 40.382 0.64 54.04 H new ATOM 0 HG BCYS B 716 -1.442 32.113 40.424 0.36 54.04 H new ATOM 1675 N CYS B 717 -1.785 32.508 36.809 1.00 29.94 N ATOM 1676 CA CYS B 717 -0.426 32.843 36.402 1.00 31.46 C ATOM 1677 C CYS B 717 0.062 33.951 37.392 1.00 37.23 C ATOM 1678 O CYS B 717 -0.729 34.882 37.727 1.00 35.61 O ATOM 1679 CB CYS B 717 -0.402 33.358 34.959 1.00 26.93 C ATOM 1680 SG CYS B 717 1.227 33.939 34.272 1.00 26.04 S ATOM 0 H CYS B 717 -2.399 32.850 36.313 1.00 29.94 H new ATOM 0 HA CYS B 717 0.152 32.064 36.430 1.00 31.46 H new ATOM 0 HB2 CYS B 717 -0.732 32.650 34.384 1.00 26.93 H new ATOM 0 HB3 CYS B 717 -1.032 34.093 34.894 1.00 26.93 H new ATOM 1681 N ASP B 718 1.357 33.916 37.738 1.00 38.07 N ATOM 1682 CA ASP B 718 1.946 34.924 38.624 1.00 40.47 C ATOM 1683 C ASP B 718 2.479 36.117 37.884 1.00 40.00 C ATOM 1684 O ASP B 718 2.820 37.085 38.521 1.00 43.88 O ATOM 1685 CB ASP B 718 2.987 34.285 39.538 1.00 45.12 C ATOM 1686 CG ASP B 718 2.339 33.324 40.556 1.00 55.28 C ATOM 1687 OD1 ASP B 718 1.416 33.793 41.258 1.00 63.60 O ATOM 1688 OD2 ASP B 718 2.716 32.117 40.662 1.00 54.54 O ATOM 0 H ASP B 718 1.909 33.315 37.468 1.00 38.07 H new ATOM 0 HA ASP B 718 1.234 35.274 39.182 1.00 40.47 H new ATOM 0 HB2 ASP B 718 3.635 33.801 39.002 1.00 45.12 H new ATOM 0 HB3 ASP B 718 3.472 34.979 40.011 1.00 45.12 H new ATOM 1689 N THR B 719 2.503 36.107 36.551 1.00 37.47 N ATOM 1690 CA THR B 719 3.052 37.248 35.779 1.00 37.63 C ATOM 1691 C THR B 719 2.063 37.904 34.850 1.00 35.11 C ATOM 1692 O THR B 719 2.386 38.868 34.191 1.00 32.05 O ATOM 1693 CB THR B 719 4.332 36.806 35.019 1.00 42.73 C ATOM 1694 OG1 THR B 719 4.154 35.481 34.480 1.00 39.54 O ATOM 1695 CG2 THR B 719 5.509 36.735 35.993 1.00 40.59 C ATOM 0 H THR B 719 2.210 35.458 36.069 1.00 37.47 H new ATOM 0 HA THR B 719 3.276 37.934 36.428 1.00 37.63 H new ATOM 0 HB THR B 719 4.500 37.447 34.311 1.00 42.73 H new ATOM 0 HG1 THR B 719 3.780 35.532 33.729 1.00 39.54 H new ATOM 0 HG21 THR B 719 6.307 36.459 35.516 1.00 40.59 H new ATOM 0 HG22 THR B 719 5.655 37.609 36.389 1.00 40.59 H new ATOM 0 HG23 THR B 719 5.312 36.093 36.693 1.00 40.59 H new ATOM 1696 N CYS B 720 0.850 37.345 34.754 1.00 37.43 N ATOM 1697 CA CYS B 720 -0.211 37.977 34.000 1.00 33.66 C ATOM 1698 C CYS B 720 -1.561 37.634 34.644 1.00 34.32 C ATOM 1699 O CYS B 720 -1.622 36.802 35.564 1.00 33.56 O ATOM 1700 CB CYS B 720 -0.121 37.571 32.540 1.00 35.09 C ATOM 1701 SG CYS B 720 -0.882 35.968 32.091 1.00 30.77 S ATOM 0 H CYS B 720 0.632 36.599 35.122 1.00 37.43 H new ATOM 0 HA CYS B 720 -0.120 38.943 34.022 1.00 33.66 H new ATOM 0 HB2 CYS B 720 -0.537 38.265 32.005 1.00 35.09 H new ATOM 0 HB3 CYS B 720 0.816 37.543 32.290 1.00 35.09 H new ATOM 1702 N PRO B 721 -2.644 38.293 34.191 1.00 34.37 N ATOM 1703 CA PRO B 721 -3.940 38.008 34.823 1.00 38.73 C ATOM 1704 C PRO B 721 -4.635 36.702 34.379 1.00 35.30 C ATOM 1705 O PRO B 721 -5.690 36.415 34.858 1.00 32.71 O ATOM 1706 CB PRO B 721 -4.804 39.215 34.425 1.00 37.97 C ATOM 1707 CG PRO B 721 -4.116 39.873 33.266 1.00 41.54 C ATOM 1708 CD PRO B 721 -2.761 39.244 33.072 1.00 38.08 C ATOM 0 HA PRO B 721 -3.813 37.877 35.776 1.00 38.73 H new ATOM 0 HB2 PRO B 721 -5.699 38.932 34.179 1.00 37.97 H new ATOM 0 HB3 PRO B 721 -4.896 39.833 35.167 1.00 37.97 H new ATOM 0 HG2 PRO B 721 -4.649 39.774 32.461 1.00 41.54 H new ATOM 0 HG3 PRO B 721 -4.022 40.825 33.429 1.00 41.54 H new ATOM 0 HD2 PRO B 721 -2.698 38.793 32.215 1.00 38.08 H new ATOM 0 HD3 PRO B 721 -2.055 39.908 33.096 1.00 38.08 H new ATOM 1709 N ARG B 722 -4.055 35.916 33.483 1.00 35.10 N ATOM 1710 CA ARG B 722 -4.737 34.682 33.013 1.00 32.08 C ATOM 1711 C ARG B 722 -4.830 33.595 34.070 1.00 30.35 C ATOM 1712 O ARG B 722 -4.036 33.536 34.991 1.00 32.33 O ATOM 1713 CB ARG B 722 -4.062 34.157 31.778 1.00 29.62 C ATOM 1714 CG ARG B 722 -4.037 35.127 30.666 1.00 27.74 C ATOM 1715 CD ARG B 722 -3.396 34.534 29.437 1.00 27.70 C ATOM 1716 NE ARG B 722 -3.420 35.418 28.294 1.00 26.88 N ATOM 1717 CZ ARG B 722 -2.525 36.378 28.079 1.00 29.69 C ATOM 1718 NH1 ARG B 722 -1.555 36.618 28.933 1.00 32.02 N ATOM 1719 NH2 ARG B 722 -2.597 37.104 26.980 1.00 31.28 N ATOM 0 H ARG B 722 -3.284 36.062 33.132 1.00 35.10 H new ATOM 0 HA ARG B 722 -5.651 34.935 32.808 1.00 32.08 H new ATOM 0 HB2 ARG B 722 -3.152 33.904 31.998 1.00 29.62 H new ATOM 0 HB3 ARG B 722 -4.518 33.352 31.486 1.00 29.62 H new ATOM 0 HG2 ARG B 722 -4.942 35.407 30.458 1.00 27.74 H new ATOM 0 HG3 ARG B 722 -3.549 35.921 30.937 1.00 27.74 H new ATOM 0 HD2 ARG B 722 -2.476 34.303 29.640 1.00 27.70 H new ATOM 0 HD3 ARG B 722 -3.852 33.709 29.209 1.00 27.70 H new ATOM 0 HE ARG B 722 -4.051 35.317 27.718 1.00 26.88 H new ATOM 0 HH11 ARG B 722 -1.488 36.149 29.651 1.00 32.02 H new ATOM 0 HH12 ARG B 722 -0.987 37.244 28.774 1.00 32.02 H new ATOM 0 HH21 ARG B 722 -3.221 36.956 26.407 1.00 31.28 H new ATOM 0 HH22 ARG B 722 -2.020 37.726 26.837 1.00 31.28 H new ATOM 1720 N SER B 723 -5.849 32.758 33.952 1.00 26.88 N ATOM 1721 CA SER B 723 -6.047 31.600 34.784 1.00 28.09 C ATOM 1722 C SER B 723 -6.329 30.386 33.862 1.00 25.80 C ATOM 1723 O SER B 723 -6.684 30.580 32.692 1.00 28.00 O ATOM 1724 CB SER B 723 -7.232 31.825 35.812 1.00 33.01 C ATOM 1725 OG SER B 723 -7.032 33.000 36.664 1.00 35.46 O ATOM 0 H SER B 723 -6.465 32.858 33.360 1.00 26.88 H new ATOM 0 HA SER B 723 -5.250 31.436 35.311 1.00 28.09 H new ATOM 0 HB2 SER B 723 -8.064 31.924 35.323 1.00 33.01 H new ATOM 0 HB3 SER B 723 -7.323 31.038 36.371 1.00 33.01 H new ATOM 0 HG SER B 723 -7.763 33.402 36.763 1.00 35.46 H new ATOM 1726 N PHE B 724 -6.116 29.168 34.361 1.00 23.87 N ATOM 1727 CA PHE B 724 -6.174 27.956 33.501 1.00 22.24 C ATOM 1728 C PHE B 724 -6.585 26.832 34.321 1.00 24.67 C ATOM 1729 O PHE B 724 -6.207 26.807 35.508 1.00 23.98 O ATOM 1730 CB PHE B 724 -4.769 27.594 32.867 1.00 21.16 C ATOM 1731 CG PHE B 724 -4.198 28.666 32.003 1.00 20.46 C ATOM 1732 CD1 PHE B 724 -3.460 29.750 32.552 1.00 20.63 C ATOM 1733 CD2 PHE B 724 -4.395 28.628 30.623 1.00 21.45 C ATOM 1734 CE1 PHE B 724 -2.950 30.748 31.726 1.00 19.04 C ATOM 1735 CE2 PHE B 724 -3.880 29.613 29.780 1.00 19.70 C ATOM 1736 CZ PHE B 724 -3.168 30.690 30.343 1.00 20.28 C ATOM 0 H PHE B 724 -5.937 29.011 35.187 1.00 23.87 H new ATOM 0 HA PHE B 724 -6.797 28.139 32.781 1.00 22.24 H new ATOM 0 HB2 PHE B 724 -4.143 27.400 33.582 1.00 21.16 H new ATOM 0 HB3 PHE B 724 -4.861 26.783 32.342 1.00 21.16 H new ATOM 0 HD1 PHE B 724 -3.317 29.793 33.470 1.00 20.63 H new ATOM 0 HD2 PHE B 724 -4.883 27.927 30.255 1.00 21.45 H new ATOM 0 HE1 PHE B 724 -2.465 31.452 32.092 1.00 19.04 H new ATOM 0 HE2 PHE B 724 -4.005 29.559 28.860 1.00 19.70 H new ATOM 0 HZ PHE B 724 -2.841 31.366 29.794 1.00 20.28 H new ATOM 1737 N HIS B 725 -7.306 25.860 33.721 1.00 24.13 N ATOM 1738 CA HIS B 725 -7.433 24.540 34.258 1.00 22.67 C ATOM 1739 C HIS B 725 -6.130 23.792 34.050 1.00 26.05 C ATOM 1740 O HIS B 725 -5.390 24.084 33.086 1.00 25.00 O ATOM 1741 CB HIS B 725 -8.566 23.739 33.581 1.00 26.60 C ATOM 1742 CG HIS B 725 -9.918 24.286 33.928 1.00 32.62 C ATOM 1743 ND1 HIS B 725 -10.781 24.807 33.001 1.00 32.86 N ATOM 1744 CD2 HIS B 725 -10.477 24.522 35.140 1.00 31.69 C ATOM 1745 CE1 HIS B 725 -11.861 25.266 33.619 1.00 35.98 C ATOM 1746 NE2 HIS B 725 -11.694 25.107 34.921 1.00 34.10 N ATOM 0 H HIS B 725 -7.731 25.976 32.982 1.00 24.13 H new ATOM 0 HA HIS B 725 -7.645 24.629 35.200 1.00 22.67 H new ATOM 0 HB2 HIS B 725 -8.446 23.759 32.619 1.00 26.60 H new ATOM 0 HB3 HIS B 725 -8.513 22.810 33.854 1.00 26.60 H new ATOM 0 HD2 HIS B 725 -10.102 24.323 35.968 1.00 31.69 H new ATOM 0 HE1 HIS B 725 -12.608 25.636 33.207 1.00 35.98 H new ATOM 0 HE2 HIS B 725 -12.258 25.334 35.530 1.00 34.10 H new ATOM 1747 N GLU B 726 -5.878 22.843 34.967 1.00 27.25 N ATOM 1748 CA GLU B 726 -4.682 22.033 34.931 1.00 31.61 C ATOM 1749 C GLU B 726 -4.349 21.491 33.524 1.00 26.97 C ATOM 1750 O GLU B 726 -3.232 21.645 33.023 1.00 27.70 O ATOM 1751 CB GLU B 726 -4.800 20.854 35.905 1.00 31.69 C ATOM 1752 CG GLU B 726 -3.469 20.141 36.087 1.00 38.55 C ATOM 1753 CD GLU B 726 -3.460 19.210 37.297 1.00 45.87 C ATOM 1754 OE1 GLU B 726 -4.455 19.216 38.056 1.00 45.97 O ATOM 1755 OE2 GLU B 726 -2.466 18.463 37.468 1.00 47.63 O ATOM 0 H GLU B 726 -6.405 22.662 35.622 1.00 27.25 H new ATOM 0 HA GLU B 726 -3.957 22.621 35.195 1.00 31.61 H new ATOM 0 HB2 GLU B 726 -5.116 21.174 36.764 1.00 31.69 H new ATOM 0 HB3 GLU B 726 -5.462 20.226 35.575 1.00 31.69 H new ATOM 0 HG2 GLU B 726 -3.269 19.629 35.288 1.00 38.55 H new ATOM 0 HG3 GLU B 726 -2.764 20.800 36.185 1.00 38.55 H new ATOM 1756 N HIS B 727 -5.323 20.878 32.900 1.00 25.41 N ATOM 1757 CA HIS B 727 -5.123 20.259 31.640 1.00 25.54 C ATOM 1758 C HIS B 727 -5.673 21.050 30.437 1.00 22.98 C ATOM 1759 O HIS B 727 -5.625 20.515 29.315 1.00 23.36 O ATOM 1760 CB HIS B 727 -5.692 18.851 31.657 1.00 30.32 C ATOM 1761 CG HIS B 727 -5.136 17.985 32.755 1.00 37.75 C ATOM 1762 ND1 HIS B 727 -3.820 17.563 32.780 1.00 41.32 N ATOM 1763 CD2 HIS B 727 -5.709 17.481 33.870 1.00 42.35 C ATOM 1764 CE1 HIS B 727 -3.605 16.841 33.865 1.00 41.72 C ATOM 1765 NE2 HIS B 727 -4.739 16.766 34.538 1.00 43.28 N ATOM 0 H HIS B 727 -6.124 20.813 33.205 1.00 25.41 H new ATOM 0 HA HIS B 727 -4.162 20.234 31.509 1.00 25.54 H new ATOM 0 HB2 HIS B 727 -6.656 18.902 31.753 1.00 30.32 H new ATOM 0 HB3 HIS B 727 -5.514 18.429 30.802 1.00 30.32 H new ATOM 0 HD2 HIS B 727 -6.593 17.595 34.137 1.00 42.35 H new ATOM 0 HE1 HIS B 727 -2.797 16.453 34.112 1.00 41.72 H new ATOM 0 HE2 HIS B 727 -4.854 16.339 35.276 1.00 43.28 H new ATOM 1766 N CYS B 728 -6.130 22.275 30.648 1.00 19.93 N ATOM 1767 CA CYS B 728 -6.397 23.214 29.539 1.00 19.80 C ATOM 1768 C CYS B 728 -5.103 23.907 29.123 1.00 19.77 C ATOM 1769 O CYS B 728 -4.830 24.160 27.946 1.00 15.97 O ATOM 1770 CB CYS B 728 -7.525 24.228 29.875 1.00 21.46 C ATOM 1771 SG CYS B 728 -9.200 23.470 29.920 1.00 25.05 S ATOM 0 H CYS B 728 -6.297 22.595 31.429 1.00 19.93 H new ATOM 0 HA CYS B 728 -6.726 22.701 28.784 1.00 19.80 H new ATOM 0 HB2 CYS B 728 -7.339 24.635 30.735 1.00 21.46 H new ATOM 0 HB3 CYS B 728 -7.517 24.940 29.216 1.00 21.46 H new ATOM 1772 N HIS B 729 -4.280 24.225 30.106 1.00 18.81 N ATOM 1773 CA HIS B 729 -3.031 24.808 29.791 1.00 19.12 C ATOM 1774 C HIS B 729 -2.212 23.675 29.126 1.00 21.24 C ATOM 1775 O HIS B 729 -2.410 22.484 29.457 1.00 21.07 O ATOM 1776 CB HIS B 729 -2.328 25.274 31.052 1.00 19.04 C ATOM 1777 CG HIS B 729 -1.095 26.094 30.790 1.00 19.89 C ATOM 1778 ND1 HIS B 729 0.162 25.541 30.695 1.00 20.64 N ATOM 1779 CD2 HIS B 729 -0.937 27.426 30.647 1.00 20.99 C ATOM 1780 CE1 HIS B 729 1.053 26.499 30.494 1.00 21.14 C ATOM 1781 NE2 HIS B 729 0.412 27.653 30.475 1.00 21.56 N ATOM 0 H HIS B 729 -4.436 24.108 30.943 1.00 18.81 H new ATOM 0 HA HIS B 729 -3.132 25.581 29.214 1.00 19.12 H new ATOM 0 HB2 HIS B 729 -2.948 25.798 31.583 1.00 19.04 H new ATOM 0 HB3 HIS B 729 -2.085 24.499 31.582 1.00 19.04 H new ATOM 0 HD1 HIS B 729 0.341 24.702 30.757 1.00 20.64 H new ATOM 0 HD2 HIS B 729 -1.609 28.068 30.662 1.00 20.99 H new ATOM 0 HE1 HIS B 729 1.969 26.380 30.385 1.00 21.14 H new ATOM 1782 N ILE B 730 -1.305 24.068 28.238 1.00 20.71 N ATOM 1783 CA ILE B 730 -0.347 23.190 27.561 1.00 23.05 C ATOM 1784 C ILE B 730 1.067 23.806 27.639 1.00 22.65 C ATOM 1785 O ILE B 730 1.250 24.991 27.354 1.00 25.31 O ATOM 1786 CB ILE B 730 -0.650 22.937 26.037 1.00 21.24 C ATOM 1787 CG1 ILE B 730 -2.117 22.751 25.771 1.00 20.27 C ATOM 1788 CG2 ILE B 730 0.126 21.699 25.616 1.00 24.61 C ATOM 1789 CD1 ILE B 730 -2.572 22.347 24.373 1.00 19.85 C ATOM 0 H ILE B 730 -1.225 24.891 28.001 1.00 20.71 H new ATOM 0 HA ILE B 730 -0.417 22.340 28.023 1.00 23.05 H new ATOM 0 HB ILE B 730 -0.377 23.713 25.524 1.00 21.24 H new ATOM 0 HG12 ILE B 730 -2.444 22.079 26.390 1.00 20.27 H new ATOM 0 HG13 ILE B 730 -2.562 23.583 25.994 1.00 20.27 H new ATOM 0 HG21 ILE B 730 -0.040 21.516 24.678 1.00 24.61 H new ATOM 0 HG22 ILE B 730 1.075 21.849 25.752 1.00 24.61 H new ATOM 0 HG23 ILE B 730 -0.160 20.941 26.149 1.00 24.61 H new ATOM 0 HD11 ILE B 730 -3.539 22.267 24.358 1.00 19.85 H new ATOM 0 HD12 ILE B 730 -2.294 23.022 23.734 1.00 19.85 H new ATOM 0 HD13 ILE B 730 -2.173 21.495 24.136 1.00 19.85 H new ATOM 1790 N PRO B 731 2.064 23.035 28.077 1.00 24.71 N ATOM 1791 CA PRO B 731 1.899 21.763 28.820 1.00 26.17 C ATOM 1792 C PRO B 731 1.048 21.886 30.141 1.00 24.51 C ATOM 1793 O PRO B 731 0.830 23.007 30.624 1.00 24.75 O ATOM 1794 CB PRO B 731 3.349 21.346 29.127 1.00 26.36 C ATOM 1795 CG PRO B 731 4.215 22.524 28.859 1.00 27.97 C ATOM 1796 CD PRO B 731 3.402 23.631 28.220 1.00 25.26 C ATOM 0 HA PRO B 731 1.400 21.116 28.298 1.00 26.17 H new ATOM 0 HB2 PRO B 731 3.435 21.062 30.050 1.00 26.36 H new ATOM 0 HB3 PRO B 731 3.613 20.595 28.573 1.00 26.36 H new ATOM 0 HG2 PRO B 731 4.610 22.839 29.687 1.00 27.97 H new ATOM 0 HG3 PRO B 731 4.946 22.271 28.274 1.00 27.97 H new ATOM 0 HD2 PRO B 731 3.382 24.426 28.776 1.00 25.26 H new ATOM 0 HD3 PRO B 731 3.769 23.894 27.362 1.00 25.26 H new ATOM 1797 N SER B 732 0.510 20.781 30.654 1.00 23.40 N ATOM 1798 CA SER B 732 -0.252 20.765 31.909 1.00 26.82 C ATOM 1799 C SER B 732 0.423 21.585 33.007 1.00 31.90 C ATOM 1800 O SER B 732 1.627 21.710 33.025 1.00 29.42 O ATOM 1801 CB SER B 732 -0.421 19.392 32.431 1.00 29.78 C ATOM 1802 OG SER B 732 -1.267 18.709 31.530 1.00 33.58 O ATOM 0 H SER B 732 0.576 20.009 30.281 1.00 23.40 H new ATOM 0 HA SER B 732 -1.113 21.153 31.688 1.00 26.82 H new ATOM 0 HB2 SER B 732 0.436 18.944 32.503 1.00 29.78 H new ATOM 0 HB3 SER B 732 -0.808 19.408 33.320 1.00 29.78 H new ATOM 0 HG SER B 732 -1.942 18.423 31.941 1.00 33.58 H new ATOM 1803 N VAL B 733 -0.374 22.241 33.831 1.00 29.16 N ATOM 1804 CA VAL B 733 0.158 23.171 34.845 1.00 33.05 C ATOM 1805 C VAL B 733 1.053 22.317 35.758 1.00 35.21 C ATOM 1806 O VAL B 733 0.675 21.185 36.062 1.00 31.07 O ATOM 1807 CB VAL B 733 -0.970 23.857 35.664 1.00 28.52 C ATOM 1808 CG1 VAL B 733 -0.429 24.702 36.805 1.00 28.84 C ATOM 1809 CG2 VAL B 733 -1.801 24.753 34.768 1.00 27.07 C ATOM 0 H VAL B 733 -1.231 22.170 33.829 1.00 29.16 H new ATOM 0 HA VAL B 733 0.648 23.894 34.424 1.00 33.05 H new ATOM 0 HB VAL B 733 -1.510 23.142 36.036 1.00 28.52 H new ATOM 0 HG11 VAL B 733 -1.167 25.108 37.285 1.00 28.84 H new ATOM 0 HG12 VAL B 733 0.080 24.141 37.410 1.00 28.84 H new ATOM 0 HG13 VAL B 733 0.146 25.397 36.449 1.00 28.84 H new ATOM 0 HG21 VAL B 733 -2.501 25.175 35.291 1.00 27.07 H new ATOM 0 HG22 VAL B 733 -1.234 25.436 34.377 1.00 27.07 H new ATOM 0 HG23 VAL B 733 -2.201 24.223 34.061 1.00 27.07 H new ATOM 1810 N GLU B 734 2.237 22.832 36.125 1.00 43.12 N ATOM 1811 CA GLU B 734 3.076 22.206 37.205 1.00 56.08 C ATOM 1812 C GLU B 734 2.525 22.747 38.526 1.00 54.26 C ATOM 1813 O GLU B 734 2.742 23.934 38.874 1.00 50.32 O ATOM 1814 CB GLU B 734 4.566 22.552 37.116 1.00 60.67 C ATOM 1815 CG GLU B 734 5.249 22.154 35.827 1.00 72.12 C ATOM 1816 CD GLU B 734 5.113 23.191 34.733 1.00 83.54 C ATOM 1817 OE1 GLU B 734 4.824 24.366 35.059 1.00 92.21 O ATOM 1818 OE2 GLU B 734 5.290 22.827 33.542 1.00 98.42 O ATOM 0 H GLU B 734 2.582 23.537 35.773 1.00 43.12 H new ATOM 0 HA GLU B 734 3.023 21.241 37.121 1.00 56.08 H new ATOM 0 HB2 GLU B 734 4.668 23.509 37.236 1.00 60.67 H new ATOM 0 HB3 GLU B 734 5.027 22.123 37.854 1.00 60.67 H new ATOM 0 HG2 GLU B 734 6.190 21.999 36.002 1.00 72.12 H new ATOM 0 HG3 GLU B 734 4.876 21.314 35.516 1.00 72.12 H new ATOM 1819 N ALA B 735 1.767 21.893 39.214 1.00 60.35 N ATOM 1820 CA ALA B 735 0.997 22.264 40.416 1.00 67.63 C ATOM 1821 C ALA B 735 1.901 22.523 41.653 1.00 69.99 C ATOM 1822 O ALA B 735 1.566 23.341 42.526 1.00 67.54 O ATOM 1823 CB ALA B 735 -0.061 21.190 40.709 1.00 65.67 C ATOM 0 H ALA B 735 1.681 21.066 38.996 1.00 60.35 H new ATOM 0 HA ALA B 735 0.552 23.106 40.231 1.00 67.63 H new ATOM 0 HB1 ALA B 735 -0.564 21.439 41.500 1.00 65.67 H new ATOM 0 HB2 ALA B 735 -0.664 21.115 39.953 1.00 65.67 H new ATOM 0 HB3 ALA B 735 0.376 20.337 40.859 1.00 65.67 H new ATOM 1824 N ASN B 736 3.031 21.816 41.694 1.00 69.04 N ATOM 1825 CA ASN B 736 4.134 22.070 42.632 1.00 80.80 C ATOM 1826 C ASN B 736 4.760 23.492 42.597 1.00 87.48 C ATOM 1827 O ASN B 736 5.232 23.966 43.637 1.00 90.81 O ATOM 1828 CB ASN B 736 5.257 21.060 42.365 1.00 85.17 C ATOM 1829 CG ASN B 736 5.840 21.199 40.952 1.00 92.83 C ATOM 1830 OD1 ASN B 736 5.207 20.810 39.966 1.00 93.18 O ATOM 1831 ND2 ASN B 736 7.025 21.795 40.848 1.00 97.65 N ATOM 0 H ASN B 736 3.184 21.157 41.163 1.00 69.04 H new ATOM 0 HA ASN B 736 3.730 21.982 43.509 1.00 80.80 H new ATOM 0 HB2 ASN B 736 5.963 21.185 43.018 1.00 85.17 H new ATOM 0 HB3 ASN B 736 4.915 20.160 42.485 1.00 85.17 H new ATOM 0 HD21 ASN B 736 7.376 21.921 40.073 1.00 97.65 H new ATOM 0 HD22 ASN B 736 7.440 22.054 41.556 1.00 97.65 H new ATOM 1832 N LYS B 737 4.778 24.148 41.424 1.00 88.17 N ATOM 1833 CA LYS B 737 5.580 25.386 41.194 1.00 88.00 C ATOM 1834 C LYS B 737 4.964 26.670 41.724 1.00 85.13 C ATOM 1835 O LYS B 737 3.743 26.807 41.770 1.00 75.72 O ATOM 1836 CB LYS B 737 5.890 25.594 39.706 1.00 85.29 C ATOM 1837 CG LYS B 737 7.116 24.835 39.223 1.00 90.90 C ATOM 1838 CD LYS B 737 7.762 25.488 38.015 1.00 91.49 C ATOM 1839 CE LYS B 737 8.180 26.916 38.313 1.00 92.29 C ATOM 1840 NZ LYS B 737 9.382 27.325 37.549 1.00 95.75 N ATOM 0 H LYS B 737 4.329 23.894 40.736 1.00 88.17 H new ATOM 0 HA LYS B 737 6.388 25.221 41.704 1.00 88.00 H new ATOM 0 HB2 LYS B 737 5.122 25.318 39.182 1.00 85.29 H new ATOM 0 HB3 LYS B 737 6.020 26.541 39.541 1.00 85.29 H new ATOM 0 HG2 LYS B 737 7.764 24.780 39.943 1.00 90.90 H new ATOM 0 HG3 LYS B 737 6.863 23.926 38.999 1.00 90.90 H new ATOM 0 HD2 LYS B 737 8.537 24.973 37.743 1.00 91.49 H new ATOM 0 HD3 LYS B 737 7.141 25.480 37.270 1.00 91.49 H new ATOM 0 HE2 LYS B 737 7.447 27.515 38.103 1.00 92.29 H new ATOM 0 HE3 LYS B 737 8.357 27.007 39.262 1.00 92.29 H new ATOM 0 HZ1 LYS B 737 9.592 28.166 37.753 1.00 95.75 H new ATOM 0 HZ2 LYS B 737 10.063 26.791 37.758 1.00 95.75 H new ATOM 0 HZ3 LYS B 737 9.215 27.265 36.677 1.00 95.75 H new ATOM 1841 N ASN B 738 5.835 27.614 42.101 1.00 83.74 N ATOM 1842 CA ASN B 738 5.416 28.872 42.726 1.00 80.20 C ATOM 1843 C ASN B 738 6.612 29.846 42.916 1.00 75.06 C ATOM 1844 O ASN B 738 7.339 29.710 43.880 1.00 83.74 O ATOM 1845 CB ASN B 738 4.703 28.603 44.076 1.00 85.40 C ATOM 1846 CG ASN B 738 3.630 29.629 44.377 1.00 89.41 C ATOM 1847 OD1 ASN B 738 3.910 30.817 44.474 1.00100.71 O ATOM 1848 ND2 ASN B 738 2.399 29.178 44.495 1.00 88.69 N ATOM 0 H ASN B 738 6.686 27.541 42.001 1.00 83.74 H new ATOM 0 HA ASN B 738 4.786 29.301 42.126 1.00 80.20 H new ATOM 0 HB2 ASN B 738 4.305 27.718 44.058 1.00 85.40 H new ATOM 0 HB3 ASN B 738 5.358 28.605 44.791 1.00 85.40 H new ATOM 0 HD21 ASN B 738 1.753 29.725 44.646 1.00 88.69 H new ATOM 0 HD22 ASN B 738 2.241 28.336 44.421 1.00 88.69 H new ATOM 1849 N PRO B 739 6.812 30.848 42.056 1.00 63.37 N ATOM 1850 CA PRO B 739 5.829 31.295 41.092 1.00 55.78 C ATOM 1851 C PRO B 739 5.804 30.414 39.832 1.00 49.11 C ATOM 1852 O PRO B 739 6.787 29.738 39.503 1.00 45.23 O ATOM 1853 CB PRO B 739 6.275 32.729 40.785 1.00 56.04 C ATOM 1854 CG PRO B 739 7.753 32.689 40.930 1.00 58.55 C ATOM 1855 CD PRO B 739 8.038 31.667 42.000 1.00 58.07 C ATOM 0 HA PRO B 739 4.921 31.244 41.429 1.00 55.78 H new ATOM 0 HB2 PRO B 739 6.014 32.998 39.890 1.00 56.04 H new ATOM 0 HB3 PRO B 739 5.875 33.364 41.400 1.00 56.04 H new ATOM 0 HG2 PRO B 739 8.177 32.443 40.093 1.00 58.55 H new ATOM 0 HG3 PRO B 739 8.101 33.559 41.180 1.00 58.55 H new ATOM 0 HD2 PRO B 739 8.814 31.129 41.778 1.00 58.07 H new ATOM 0 HD3 PRO B 739 8.221 32.090 42.854 1.00 58.07 H new ATOM 1856 N TRP B 740 4.638 30.395 39.201 1.00 40.85 N ATOM 1857 CA TRP B 740 4.386 29.699 37.942 1.00 34.70 C ATOM 1858 C TRP B 740 3.987 30.766 36.933 1.00 32.57 C ATOM 1859 O TRP B 740 3.123 31.622 37.229 1.00 34.18 O ATOM 1860 CB TRP B 740 3.259 28.684 38.149 1.00 35.19 C ATOM 1861 CG TRP B 740 2.855 27.977 36.937 1.00 34.30 C ATOM 1862 CD1 TRP B 740 3.474 26.891 36.373 1.00 35.14 C ATOM 1863 CD2 TRP B 740 1.735 28.286 36.112 1.00 28.61 C ATOM 1864 NE1 TRP B 740 2.813 26.529 35.238 1.00 34.80 N ATOM 1865 CE2 TRP B 740 1.738 27.368 35.056 1.00 31.02 C ATOM 1866 CE3 TRP B 740 0.707 29.238 36.186 1.00 30.79 C ATOM 1867 CZ2 TRP B 740 0.747 27.376 34.052 1.00 29.93 C ATOM 1868 CZ3 TRP B 740 -0.270 29.252 35.231 1.00 28.40 C ATOM 1869 CH2 TRP B 740 -0.244 28.311 34.164 1.00 29.43 C ATOM 0 H TRP B 740 3.944 30.802 39.504 1.00 40.85 H new ATOM 0 HA TRP B 740 5.165 29.214 37.627 1.00 34.70 H new ATOM 0 HB2 TRP B 740 3.542 28.034 38.811 1.00 35.19 H new ATOM 0 HB3 TRP B 740 2.487 29.144 38.515 1.00 35.19 H new ATOM 0 HD1 TRP B 740 4.229 26.467 36.713 1.00 35.14 H new ATOM 0 HE1 TRP B 740 3.033 25.880 34.718 1.00 34.80 H new ATOM 0 HE3 TRP B 740 0.691 29.856 36.881 1.00 30.79 H new ATOM 0 HZ2 TRP B 740 0.767 26.772 33.345 1.00 29.93 H new ATOM 0 HZ3 TRP B 740 -0.955 29.879 35.279 1.00 28.40 H new ATOM 0 HH2 TRP B 740 -0.920 28.333 33.525 1.00 29.43 H new ATOM 1870 N SER B 741 4.626 30.726 35.766 1.00 28.62 N ATOM 1871 CA SER B 741 4.278 31.549 34.623 1.00 28.89 C ATOM 1872 C SER B 741 3.727 30.633 33.546 1.00 29.24 C ATOM 1873 O SER B 741 4.297 29.538 33.284 1.00 26.08 O ATOM 1874 CB SER B 741 5.482 32.269 34.061 1.00 28.91 C ATOM 1875 OG SER B 741 5.736 33.451 34.768 1.00 31.04 O ATOM 0 H SER B 741 5.292 30.203 35.618 1.00 28.62 H new ATOM 0 HA SER B 741 3.632 32.215 34.905 1.00 28.89 H new ATOM 0 HB2 SER B 741 6.259 31.689 34.104 1.00 28.91 H new ATOM 0 HB3 SER B 741 5.332 32.474 33.125 1.00 28.91 H new ATOM 0 HG SER B 741 5.127 34.008 34.612 1.00 31.04 H new ATOM 1876 N CYS B 742 2.617 31.111 32.960 1.00 27.68 N ATOM 1877 CA CYS B 742 1.899 30.509 31.871 1.00 24.03 C ATOM 1878 C CYS B 742 2.648 30.641 30.566 1.00 23.19 C ATOM 1879 O CYS B 742 3.595 31.421 30.436 1.00 24.03 O ATOM 1880 CB CYS B 742 0.507 31.204 31.750 1.00 25.78 C ATOM 1881 SG CYS B 742 0.378 32.749 30.818 1.00 23.46 S ATOM 0 H CYS B 742 2.254 31.846 33.219 1.00 27.68 H new ATOM 0 HA CYS B 742 1.796 29.562 32.054 1.00 24.03 H new ATOM 0 HB2 CYS B 742 -0.104 30.567 31.348 1.00 25.78 H new ATOM 0 HB3 CYS B 742 0.186 31.376 32.649 1.00 25.78 H new ATOM 1882 N ILE B 743 2.113 29.970 29.536 1.00 22.19 N ATOM 1883 CA ILE B 743 2.748 29.831 28.298 1.00 21.34 C ATOM 1884 C ILE B 743 2.744 31.152 27.518 1.00 21.60 C ATOM 1885 O ILE B 743 3.710 31.440 26.825 1.00 17.75 O ATOM 1886 CB ILE B 743 2.207 28.665 27.460 1.00 21.08 C ATOM 1887 CG1 ILE B 743 3.070 28.494 26.213 1.00 23.08 C ATOM 1888 CG2 ILE B 743 0.748 28.829 27.050 1.00 20.52 C ATOM 1889 CD1 ILE B 743 3.070 27.080 25.687 1.00 23.83 C ATOM 0 H ILE B 743 1.346 29.584 29.575 1.00 22.19 H new ATOM 0 HA ILE B 743 3.671 29.602 28.491 1.00 21.34 H new ATOM 0 HB ILE B 743 2.248 27.877 28.024 1.00 21.08 H new ATOM 0 HG12 ILE B 743 2.750 29.092 25.520 1.00 23.08 H new ATOM 0 HG13 ILE B 743 3.981 28.758 26.417 1.00 23.08 H new ATOM 0 HG21 ILE B 743 0.471 28.062 26.526 1.00 20.52 H new ATOM 0 HG22 ILE B 743 0.194 28.895 27.844 1.00 20.52 H new ATOM 0 HG23 ILE B 743 0.649 29.635 26.520 1.00 20.52 H new ATOM 0 HD11 ILE B 743 3.631 27.028 24.898 1.00 23.83 H new ATOM 0 HD12 ILE B 743 3.414 26.481 26.368 1.00 23.83 H new ATOM 0 HD13 ILE B 743 2.164 26.820 25.457 1.00 23.83 H new ATOM 1890 N PHE B 744 1.692 31.950 27.644 1.00 20.90 N ATOM 1891 CA PHE B 744 1.699 33.308 27.009 1.00 20.27 C ATOM 1892 C PHE B 744 2.921 34.128 27.486 1.00 21.96 C ATOM 1893 O PHE B 744 3.631 34.730 26.695 1.00 22.28 O ATOM 1894 CB PHE B 744 0.377 34.078 27.343 1.00 21.27 C ATOM 1895 CG PHE B 744 -0.857 33.491 26.724 1.00 20.32 C ATOM 1896 CD1 PHE B 744 -1.451 32.352 27.219 1.00 22.69 C ATOM 1897 CD2 PHE B 744 -1.412 34.042 25.612 1.00 20.97 C ATOM 1898 CE1 PHE B 744 -2.565 31.771 26.613 1.00 21.50 C ATOM 1899 CE2 PHE B 744 -2.551 33.498 25.031 1.00 20.68 C ATOM 1900 CZ PHE B 744 -3.115 32.357 25.522 1.00 21.17 C ATOM 0 H PHE B 744 0.975 31.752 28.075 1.00 20.90 H new ATOM 0 HA PHE B 744 1.759 33.190 26.048 1.00 20.27 H new ATOM 0 HB2 PHE B 744 0.263 34.100 28.306 1.00 21.27 H new ATOM 0 HB3 PHE B 744 0.468 34.997 27.047 1.00 21.27 H new ATOM 0 HD1 PHE B 744 -1.098 31.957 27.983 1.00 22.69 H new ATOM 0 HD2 PHE B 744 -1.022 34.797 25.233 1.00 20.97 H new ATOM 0 HE1 PHE B 744 -2.928 30.986 26.956 1.00 21.50 H new ATOM 0 HE2 PHE B 744 -2.935 33.918 24.296 1.00 20.68 H new ATOM 0 HZ PHE B 744 -3.865 31.987 25.115 1.00 21.17 H new ATOM 1901 N CYS B 745 3.150 34.103 28.801 1.00 21.73 N ATOM 1902 CA CYS B 745 4.234 34.790 29.442 1.00 25.28 C ATOM 1903 C CYS B 745 5.601 34.271 29.039 1.00 25.22 C ATOM 1904 O CYS B 745 6.531 35.054 28.727 1.00 23.31 O ATOM 1905 CB CYS B 745 4.063 34.689 30.957 1.00 27.85 C ATOM 1906 SG CYS B 745 2.759 35.769 31.558 1.00 31.61 S ATOM 0 H CYS B 745 2.653 33.666 29.350 1.00 21.73 H new ATOM 0 HA CYS B 745 4.199 35.715 29.151 1.00 25.28 H new ATOM 0 HB2 CYS B 745 3.860 33.772 31.199 1.00 27.85 H new ATOM 0 HB3 CYS B 745 4.899 34.919 31.392 1.00 27.85 H new ATOM 1907 N ARG B 746 5.736 32.944 28.985 1.00 23.97 N ATOM 1908 CA ARG B 746 6.997 32.348 28.560 1.00 23.63 C ATOM 1909 C ARG B 746 7.352 32.587 27.093 1.00 26.10 C ATOM 1910 O ARG B 746 8.526 32.757 26.746 1.00 23.50 O ATOM 1911 CB ARG B 746 6.971 30.864 28.819 1.00 26.69 C ATOM 1912 CG ARG B 746 6.944 30.544 30.313 1.00 28.36 C ATOM 1913 CD ARG B 746 6.609 29.088 30.561 1.00 30.25 C ATOM 1914 NE ARG B 746 7.643 28.170 30.118 1.00 31.63 N ATOM 1915 CZ ARG B 746 7.536 26.828 30.099 1.00 31.08 C ATOM 1916 NH1 ARG B 746 6.400 26.204 30.468 1.00 30.87 N ATOM 1917 NH2 ARG B 746 8.592 26.112 29.690 1.00 28.22 N ATOM 0 H ARG B 746 5.118 32.381 29.188 1.00 23.97 H new ATOM 0 HA ARG B 746 7.683 32.791 29.084 1.00 23.63 H new ATOM 0 HB2 ARG B 746 6.192 30.476 28.392 1.00 26.69 H new ATOM 0 HB3 ARG B 746 7.751 30.452 28.415 1.00 26.69 H new ATOM 0 HG2 ARG B 746 7.807 30.750 30.705 1.00 28.36 H new ATOM 0 HG3 ARG B 746 6.290 31.108 30.754 1.00 28.36 H new ATOM 0 HD2 ARG B 746 6.455 28.956 31.510 1.00 30.25 H new ATOM 0 HD3 ARG B 746 5.780 28.873 30.106 1.00 30.25 H new ATOM 0 HE ARG B 746 8.384 28.511 29.846 1.00 31.63 H new ATOM 0 HH11 ARG B 746 5.720 26.664 30.724 1.00 30.87 H new ATOM 0 HH12 ARG B 746 6.355 25.345 30.448 1.00 30.87 H new ATOM 0 HH21 ARG B 746 9.314 26.511 29.448 1.00 28.22 H new ATOM 0 HH22 ARG B 746 8.547 25.253 29.669 1.00 28.22 H new ATOM 1918 N ILE B 747 6.351 32.526 26.232 1.00 24.93 N ATOM 1919 CA ILE B 747 6.530 32.835 24.831 1.00 25.77 C ATOM 1920 C ILE B 747 6.913 34.318 24.690 1.00 29.09 C ATOM 1921 O ILE B 747 7.770 34.660 23.898 1.00 27.66 O ATOM 1922 CB ILE B 747 5.261 32.564 24.033 1.00 26.45 C ATOM 1923 CG1 ILE B 747 5.027 31.050 23.916 1.00 28.25 C ATOM 1924 CG2 ILE B 747 5.299 33.193 22.646 1.00 25.67 C ATOM 1925 CD1 ILE B 747 6.022 30.316 23.037 1.00 28.47 C ATOM 0 H ILE B 747 5.548 32.304 26.446 1.00 24.93 H new ATOM 0 HA ILE B 747 7.233 32.266 24.480 1.00 25.77 H new ATOM 0 HB ILE B 747 4.526 32.975 24.515 1.00 26.45 H new ATOM 0 HG12 ILE B 747 5.053 30.662 24.805 1.00 28.25 H new ATOM 0 HG13 ILE B 747 4.135 30.900 23.567 1.00 28.25 H new ATOM 0 HG21 ILE B 747 4.473 32.994 22.178 1.00 25.67 H new ATOM 0 HG22 ILE B 747 5.400 34.154 22.729 1.00 25.67 H new ATOM 0 HG23 ILE B 747 6.048 32.832 22.147 1.00 25.67 H new ATOM 0 HD11 ILE B 747 5.803 29.371 23.019 1.00 28.47 H new ATOM 0 HD12 ILE B 747 5.984 30.674 22.136 1.00 28.47 H new ATOM 0 HD13 ILE B 747 6.917 30.433 23.393 1.00 28.47 H new ATOM 1926 N LYS B 748 6.288 35.188 25.452 1.00 32.01 N ATOM 1927 CA LYS B 748 6.617 36.612 25.344 1.00 35.79 C ATOM 1928 C LYS B 748 8.084 36.846 25.737 1.00 32.54 C ATOM 1929 O LYS B 748 8.765 37.593 25.070 1.00 28.10 O ATOM 1930 CB LYS B 748 5.707 37.419 26.229 1.00 40.99 C ATOM 1931 CG LYS B 748 5.871 38.930 26.059 1.00 50.67 C ATOM 1932 CD LYS B 748 4.810 39.673 26.841 1.00 58.15 C ATOM 1933 CE LYS B 748 4.982 39.490 28.339 1.00 66.13 C ATOM 1934 NZ LYS B 748 4.070 40.392 29.110 1.00 79.57 N ATOM 0 H LYS B 748 5.682 34.992 26.029 1.00 32.01 H new ATOM 0 HA LYS B 748 6.492 36.895 24.425 1.00 35.79 H new ATOM 0 HB2 LYS B 748 4.787 37.178 26.040 1.00 40.99 H new ATOM 0 HB3 LYS B 748 5.877 37.185 27.155 1.00 40.99 H new ATOM 0 HG2 LYS B 748 6.752 39.201 26.362 1.00 50.67 H new ATOM 0 HG3 LYS B 748 5.810 39.163 25.119 1.00 50.67 H new ATOM 0 HD2 LYS B 748 4.850 40.618 26.624 1.00 58.15 H new ATOM 0 HD3 LYS B 748 3.932 39.358 26.575 1.00 58.15 H new ATOM 0 HE2 LYS B 748 4.802 38.567 28.576 1.00 66.13 H new ATOM 0 HE3 LYS B 748 5.903 39.672 28.585 1.00 66.13 H new ATOM 0 HZ1 LYS B 748 4.192 40.263 29.982 1.00 79.57 H new ATOM 0 HZ2 LYS B 748 4.250 41.240 28.908 1.00 79.57 H new ATOM 0 HZ3 LYS B 748 3.225 40.210 28.900 1.00 79.57 H new ATOM 1935 N THR B 749 8.519 36.245 26.845 1.00 29.36 N ATOM 1936 CA THR B 749 9.914 36.287 27.250 1.00 33.69 C ATOM 1937 C THR B 749 10.908 35.921 26.146 1.00 33.56 C ATOM 1938 O THR B 749 11.852 36.656 25.920 1.00 38.59 O ATOM 1939 CB THR B 749 10.149 35.447 28.515 1.00 33.78 C ATOM 1940 OG1 THR B 749 9.411 36.045 29.559 1.00 32.05 O ATOM 1941 CG2 THR B 749 11.596 35.476 28.943 1.00 36.07 C ATOM 0 H THR B 749 8.010 35.803 27.379 1.00 29.36 H new ATOM 0 HA THR B 749 10.094 37.218 27.452 1.00 33.69 H new ATOM 0 HB THR B 749 9.887 34.531 28.330 1.00 33.78 H new ATOM 0 HG1 THR B 749 8.616 35.775 29.530 1.00 32.05 H new ATOM 0 HG21 THR B 749 11.708 34.937 29.742 1.00 36.07 H new ATOM 0 HG22 THR B 749 12.151 35.119 28.232 1.00 36.07 H new ATOM 0 HG23 THR B 749 11.860 36.390 29.131 1.00 36.07 H new ATOM 1942 N ILE B 750 10.641 34.837 25.425 1.00 29.99 N ATOM 1943 CA ILE B 750 11.397 34.430 24.268 1.00 30.40 C ATOM 1944 C ILE B 750 11.382 35.452 23.123 1.00 33.01 C ATOM 1945 O ILE B 750 12.421 35.736 22.510 1.00 31.69 O ATOM 1946 CB ILE B 750 10.895 33.059 23.727 1.00 28.10 C ATOM 1947 CG1 ILE B 750 11.243 31.984 24.751 1.00 29.23 C ATOM 1948 CG2 ILE B 750 11.497 32.803 22.355 1.00 29.73 C ATOM 1949 CD1 ILE B 750 10.632 30.631 24.471 1.00 29.83 C ATOM 0 H ILE B 750 9.991 34.306 25.609 1.00 29.99 H new ATOM 0 HA ILE B 750 12.313 34.357 24.578 1.00 30.40 H new ATOM 0 HB ILE B 750 9.932 33.052 23.609 1.00 28.10 H new ATOM 0 HG12 ILE B 750 12.208 31.889 24.788 1.00 29.23 H new ATOM 0 HG13 ILE B 750 10.953 32.282 25.627 1.00 29.23 H new ATOM 0 HG21 ILE B 750 11.184 31.949 22.018 1.00 29.73 H new ATOM 0 HG22 ILE B 750 11.227 33.508 21.746 1.00 29.73 H new ATOM 0 HG23 ILE B 750 12.464 32.788 22.424 1.00 29.73 H new ATOM 0 HD11 ILE B 750 10.899 30.006 25.163 1.00 29.83 H new ATOM 0 HD12 ILE B 750 9.665 30.708 24.461 1.00 29.83 H new ATOM 0 HD13 ILE B 750 10.939 30.309 23.609 1.00 29.83 H new ATOM 1950 N GLN B 751 10.212 35.997 22.829 1.00 32.10 N ATOM 1951 CA GLN B 751 10.071 36.963 21.733 1.00 34.68 C ATOM 1952 C GLN B 751 10.865 38.257 21.990 1.00 33.62 C ATOM 1953 O GLN B 751 11.394 38.861 21.061 1.00 40.35 O ATOM 1954 CB GLN B 751 8.589 37.272 21.477 1.00 34.69 C ATOM 1955 CG GLN B 751 7.903 36.065 20.832 1.00 40.70 C ATOM 1956 CD GLN B 751 6.382 36.202 20.609 1.00 45.02 C ATOM 1957 OE1 GLN B 751 5.656 36.900 21.346 1.00 43.46 O ATOM 1958 NE2 GLN B 751 5.895 35.485 19.591 1.00 47.61 N ATOM 0 H GLN B 751 9.482 35.825 23.249 1.00 32.10 H new ATOM 0 HA GLN B 751 10.447 36.555 20.938 1.00 34.68 H new ATOM 0 HB2 GLN B 751 8.149 37.495 22.312 1.00 34.69 H new ATOM 0 HB3 GLN B 751 8.508 38.046 20.898 1.00 34.69 H new ATOM 0 HG2 GLN B 751 8.325 35.893 19.976 1.00 40.70 H new ATOM 0 HG3 GLN B 751 8.063 35.287 21.388 1.00 40.70 H new ATOM 0 HE21 GLN B 751 6.425 35.015 19.104 1.00 47.61 H new ATOM 0 HE22 GLN B 751 5.051 35.494 19.424 1.00 47.61 H new ATOM 1959 N GLU B 752 10.945 38.648 23.251 1.00 36.34 N ATOM 1960 CA GLU B 752 11.517 39.930 23.635 1.00 41.30 C ATOM 1961 C GLU B 752 13.039 39.900 23.847 1.00 46.71 C ATOM 1962 O GLU B 752 13.636 40.963 24.114 1.00 44.56 O ATOM 1963 CB GLU B 752 10.859 40.394 24.920 1.00 43.01 C ATOM 1964 CG GLU B 752 9.428 40.830 24.681 1.00 46.10 C ATOM 1965 CD GLU B 752 8.699 41.168 25.949 1.00 53.45 C ATOM 1966 OE1 GLU B 752 9.215 40.840 27.054 1.00 57.25 O ATOM 1967 OE2 GLU B 752 7.594 41.756 25.824 1.00 66.41 O ATOM 0 H GLU B 752 10.668 38.175 23.914 1.00 36.34 H new ATOM 0 HA GLU B 752 11.350 40.538 22.898 1.00 41.30 H new ATOM 0 HB2 GLU B 752 10.876 39.676 25.572 1.00 43.01 H new ATOM 0 HB3 GLU B 752 11.365 41.131 25.297 1.00 43.01 H new ATOM 0 HG2 GLU B 752 9.424 41.603 24.096 1.00 46.10 H new ATOM 0 HG3 GLU B 752 8.952 40.122 24.219 1.00 46.10 H new ATOM 1968 N ARG B 753 13.646 38.707 23.763 1.00 43.79 N ATOM 1969 CA ARG B 753 15.048 38.512 24.075 1.00 43.97 C ATOM 1970 C ARG B 753 15.989 39.341 23.189 1.00 50.89 C ATOM 1971 O ARG B 753 16.848 40.116 23.684 1.00 49.72 O ATOM 1972 CB ARG B 753 15.418 37.042 23.955 1.00 41.59 C ATOM 1973 CG ARG B 753 16.807 36.770 24.483 1.00 40.56 C ATOM 1974 CD ARG B 753 16.967 35.312 24.774 1.00 40.08 C ATOM 1975 NE ARG B 753 16.575 34.587 23.571 1.00 43.99 N ATOM 1976 CZ ARG B 753 15.781 33.519 23.519 1.00 43.99 C ATOM 1977 NH1 ARG B 753 15.273 32.928 24.636 1.00 41.82 N ATOM 1978 NH2 ARG B 753 15.541 33.009 22.331 1.00 40.04 N ATOM 0 H ARG B 753 13.242 37.988 23.520 1.00 43.79 H new ATOM 0 HA ARG B 753 15.164 38.818 24.988 1.00 43.97 H new ATOM 0 HB2 ARG B 753 14.775 36.505 24.444 1.00 41.59 H new ATOM 0 HB3 ARG B 753 15.366 36.770 23.025 1.00 41.59 H new ATOM 0 HG2 ARG B 753 17.469 37.052 23.833 1.00 40.56 H new ATOM 0 HG3 ARG B 753 16.962 37.287 25.289 1.00 40.56 H new ATOM 0 HD2 ARG B 753 17.885 35.109 25.012 1.00 40.08 H new ATOM 0 HD3 ARG B 753 16.414 35.050 25.527 1.00 40.08 H new ATOM 0 HE ARG B 753 16.886 34.877 22.824 1.00 43.99 H new ATOM 0 HH11 ARG B 753 15.462 33.244 25.413 1.00 41.82 H new ATOM 0 HH12 ARG B 753 14.763 32.239 24.564 1.00 41.82 H new ATOM 0 HH21 ARG B 753 15.892 33.365 21.631 1.00 40.04 H new ATOM 0 HH22 ARG B 753 15.033 32.319 22.254 1.00 40.04 H new ATOM 1979 N CYS B 754 15.843 39.138 21.885 1.00 53.87 N ATOM 1980 CA CYS B 754 16.550 39.928 20.880 1.00 58.45 C ATOM 1981 C CYS B 754 15.653 39.963 19.650 1.00 63.18 C ATOM 1982 O CYS B 754 15.753 39.073 18.801 1.00 59.07 O ATOM 1983 CB CYS B 754 17.933 39.343 20.524 1.00 55.82 C ATOM 1984 SG CYS B 754 18.950 40.549 19.604 1.00 55.27 S ATOM 0 H CYS B 754 15.328 38.534 21.554 1.00 53.87 H new ATOM 0 HA CYS B 754 16.725 40.817 21.227 1.00 58.45 H new ATOM 0 HB2 CYS B 754 18.394 39.081 21.336 1.00 55.82 H new ATOM 0 HB3 CYS B 754 17.819 38.540 19.991 1.00 55.82 H new ATOM 0 HG CYS B 754 20.016 40.061 19.347 1.00 55.27 H new ATOM 1985 N PRO B 755 14.744 40.959 19.587 1.00 70.10 N ATOM 1986 CA PRO B 755 13.866 41.053 18.426 1.00 80.97 C ATOM 1987 C PRO B 755 14.612 41.224 17.075 1.00 87.55 C ATOM 1988 O PRO B 755 15.001 42.329 16.724 1.00 81.95 O ATOM 1989 CB PRO B 755 12.957 42.261 18.763 1.00 80.61 C ATOM 1990 CG PRO B 755 12.973 42.348 20.251 1.00 77.03 C ATOM 1991 CD PRO B 755 14.347 41.902 20.657 1.00 74.84 C ATOM 0 HA PRO B 755 13.372 40.230 18.283 1.00 80.97 H new ATOM 0 HB2 PRO B 755 13.292 43.077 18.359 1.00 80.61 H new ATOM 0 HB3 PRO B 755 12.056 42.128 18.428 1.00 80.61 H new ATOM 0 HG2 PRO B 755 12.796 43.253 20.551 1.00 77.03 H new ATOM 0 HG3 PRO B 755 12.291 41.781 20.642 1.00 77.03 H new ATOM 0 HD2 PRO B 755 14.961 42.651 20.717 1.00 74.84 H new ATOM 0 HD3 PRO B 755 14.339 41.471 21.526 1.00 74.84 H new ATOM 1992 N GLU B 756 14.875 40.107 16.388 1.00 99.71 N ATOM 1993 CA GLU B 756 14.951 40.079 14.929 1.00105.90 C ATOM 1994 C GLU B 756 13.483 39.849 14.562 1.00124.72 C ATOM 1995 O GLU B 756 13.007 38.720 14.679 1.00138.43 O ATOM 1996 CB GLU B 756 15.835 38.929 14.434 1.00 93.54 C ATOM 0 H GLU B 756 15.014 39.344 16.759 1.00 99.71 H new ATOM 0 HA GLU B 756 15.343 40.874 14.536 1.00105.90 H new ATOM 1997 N SER B 757 12.784 40.926 14.158 1.00135.57 N ATOM 1998 CA SER B 757 11.290 41.038 14.149 1.00139.79 C ATOM 1999 C SER B 757 10.538 39.936 13.365 1.00145.93 C ATOM 2000 O SER B 757 11.152 38.941 12.979 1.00170.03 O ATOM 2001 CB SER B 757 10.893 42.426 13.615 1.00133.88 C ATOM 0 H SER B 757 13.171 41.639 13.871 1.00135.57 H new ATOM 0 HA SER B 757 11.015 40.913 15.071 1.00139.79 H new ATOM 2002 N GLN B 758 9.234 40.091 13.097 1.00135.11 N ATOM 2003 CA GLN B 758 8.531 39.162 12.181 1.00123.16 C ATOM 2004 C GLN B 758 9.084 39.288 10.739 1.00125.65 C ATOM 2005 O GLN B 758 8.332 39.170 9.766 1.00126.26 O ATOM 2006 CB GLN B 758 7.015 39.387 12.212 1.00111.60 C ATOM 0 H GLN B 758 8.742 40.714 13.426 1.00135.11 H new ATOM 0 HA GLN B 758 8.698 38.258 12.490 1.00123.16 H new ATOM 2007 N SER B 759 10.419 39.422 10.635 1.00123.58 N ATOM 2008 CA SER B 759 11.150 39.903 9.451 1.00119.19 C ATOM 2009 C SER B 759 11.086 38.892 8.309 1.00112.06 C ATOM 2010 O SER B 759 11.414 39.218 7.160 1.00121.30 O ATOM 2011 CB SER B 759 12.622 40.196 9.807 1.00109.74 C ATOM 0 H SER B 759 10.945 39.225 11.286 1.00123.58 H new ATOM 0 HA SER B 759 10.723 40.723 9.157 1.00119.19 H new ATOM 2012 N GLY B 760 10.699 37.661 8.644 1.00 87.32 N ATOM 2013 CA GLY B 760 10.256 36.692 7.672 1.00 80.38 C ATOM 2014 C GLY B 760 11.115 35.457 7.760 1.00 73.11 C ATOM 2015 O GLY B 760 12.343 35.552 7.759 1.00 71.93 O ATOM 0 H GLY B 760 10.690 37.372 9.454 1.00 87.32 H new ATOM 0 HA2 GLY B 760 9.327 36.463 7.831 1.00 80.38 H new ATOM 0 HA3 GLY B 760 10.307 37.069 6.780 1.00 80.38 H new ATOM 2016 N HIS B 761 10.455 34.310 7.886 1.00 60.58 N ATOM 2017 CA HIS B 761 11.040 33.021 7.596 1.00 50.76 C ATOM 2018 C HIS B 761 10.150 32.333 6.580 1.00 49.64 C ATOM 2019 O HIS B 761 8.972 32.685 6.421 1.00 44.58 O ATOM 2020 CB HIS B 761 11.109 32.192 8.856 1.00 52.84 C ATOM 2021 CG HIS B 761 11.859 32.851 9.958 1.00 53.40 C ATOM 2022 ND1 HIS B 761 11.275 33.759 10.803 1.00 59.06 N ATOM 2023 CD2 HIS B 761 13.156 32.756 10.343 1.00 54.31 C ATOM 2024 CE1 HIS B 761 12.173 34.186 11.676 1.00 54.91 C ATOM 2025 NE2 HIS B 761 13.319 33.585 11.422 1.00 46.86 N ATOM 0 H HIS B 761 9.637 34.266 8.149 1.00 60.58 H new ATOM 0 HA HIS B 761 11.940 33.126 7.249 1.00 50.76 H new ATOM 0 HB2 HIS B 761 10.208 31.999 9.158 1.00 52.84 H new ATOM 0 HB3 HIS B 761 11.528 31.341 8.653 1.00 52.84 H new ATOM 0 HD1 HIS B 761 10.454 34.012 10.771 1.00 59.06 H new ATOM 0 HD2 HIS B 761 13.812 32.227 9.949 1.00 54.31 H new ATOM 0 HE1 HIS B 761 12.022 34.805 12.354 1.00 54.91 H new ATOM 2026 N GLN B 762 10.720 31.363 5.885 1.00 44.56 N ATOM 2027 CA GLN B 762 10.009 30.592 4.880 1.00 46.45 C ATOM 2028 C GLN B 762 9.428 29.380 5.569 1.00 46.90 C ATOM 2029 O GLN B 762 10.063 28.830 6.452 1.00 49.80 O ATOM 2030 CB GLN B 762 10.958 30.132 3.786 1.00 52.36 C ATOM 2031 CG GLN B 762 11.923 31.201 3.328 1.00 59.03 C ATOM 2032 CD GLN B 762 11.215 32.522 3.088 1.00 69.43 C ATOM 2033 OE1 GLN B 762 10.281 32.605 2.259 1.00 72.41 O ATOM 2034 NE2 GLN B 762 11.623 33.561 3.832 1.00 75.12 N ATOM 0 H GLN B 762 11.542 31.130 5.985 1.00 44.56 H new ATOM 0 HA GLN B 762 9.317 31.137 4.474 1.00 46.45 H new ATOM 0 HB2 GLN B 762 11.463 29.368 4.107 1.00 52.36 H new ATOM 0 HB3 GLN B 762 10.439 29.829 3.025 1.00 52.36 H new ATOM 0 HG2 GLN B 762 12.616 31.321 3.996 1.00 59.03 H new ATOM 0 HG3 GLN B 762 12.362 30.915 2.512 1.00 59.03 H new ATOM 0 HE21 GLN B 762 12.269 33.462 4.391 1.00 75.12 H new ATOM 0 HE22 GLN B 762 11.238 34.326 3.750 1.00 75.12 H new ATOM 2035 N GLU B 763 8.252 28.932 5.161 1.00 43.53 N ATOM 2036 CA GLU B 763 7.621 27.837 5.866 1.00 40.42 C ATOM 2037 C GLU B 763 8.485 26.558 5.792 1.00 39.70 C ATOM 2038 O GLU B 763 8.590 25.840 6.798 1.00 37.76 O ATOM 2039 CB GLU B 763 6.133 27.615 5.446 1.00 38.62 C ATOM 2040 CG GLU B 763 5.582 26.236 5.896 1.00 41.61 C ATOM 2041 CD GLU B 763 4.181 25.884 5.434 1.00 39.92 C ATOM 2042 OE1 GLU B 763 3.271 26.694 5.679 1.00 43.25 O ATOM 2043 OE2 GLU B 763 3.983 24.786 4.844 1.00 40.68 O ATOM 0 H GLU B 763 7.811 29.242 4.491 1.00 43.53 H new ATOM 0 HA GLU B 763 7.571 28.085 6.802 1.00 40.42 H new ATOM 0 HB2 GLU B 763 5.585 28.318 5.828 1.00 38.62 H new ATOM 0 HB3 GLU B 763 6.059 27.690 4.482 1.00 38.62 H new ATOM 0 HG2 GLU B 763 6.188 25.549 5.578 1.00 41.61 H new ATOM 0 HG3 GLU B 763 5.599 26.204 6.865 1.00 41.61 H new ATOM 2044 N SER B 764 9.096 26.303 4.631 1.00 38.10 N ATOM 2045 CA ASER B 764 9.963 25.118 4.431 0.71 39.56 C ATOM 2046 CA BSER B 764 9.991 25.140 4.410 0.29 37.14 C ATOM 2047 C SER B 764 11.083 25.039 5.457 1.00 36.37 C ATOM 2048 O SER B 764 11.396 23.959 5.930 1.00 35.46 O ATOM 2049 CB ASER B 764 10.584 25.119 3.017 0.71 40.71 C ATOM 2050 CB BSER B 764 10.669 25.191 3.019 0.29 36.65 C ATOM 2051 OG ASER B 764 11.337 26.301 2.832 0.71 38.74 O ATOM 2052 OG BSER B 764 9.947 24.445 2.062 0.29 33.64 O ATOM 0 H ASER B 764 9.024 26.805 3.937 0.71 38.10 H new ATOM 0 H BSER B 764 9.006 26.802 3.936 0.29 38.10 H new ATOM 0 HA ASER B 764 9.390 24.343 4.541 0.71 37.14 H new ATOM 0 HA BSER B 764 9.415 24.362 4.471 0.29 37.14 H new ATOM 0 HB2ASER B 764 11.152 24.341 2.902 0.71 36.65 H new ATOM 0 HB2BSER B 764 10.739 26.113 2.726 0.29 36.65 H new ATOM 0 HB3ASER B 764 9.885 25.061 2.347 0.71 36.65 H new ATOM 0 HB3BSER B 764 11.573 24.845 3.086 0.29 36.65 H new ATOM 0 HG ASER B 764 11.676 26.300 2.063 0.71 33.64 H new ATOM 0 HG BSER B 764 10.336 24.491 1.319 0.29 33.64 H new ATOM 2053 N GLU B 765 11.652 26.191 5.797 1.00 32.58 N ATOM 2054 CA GLU B 765 12.727 26.281 6.789 1.00 39.03 C ATOM 2055 C GLU B 765 12.209 26.010 8.192 1.00 38.10 C ATOM 2056 O GLU B 765 12.799 25.199 8.940 1.00 34.14 O ATOM 2057 CB GLU B 765 13.451 27.651 6.717 1.00 39.23 C ATOM 2058 CG GLU B 765 14.584 27.847 7.718 1.00 47.18 C ATOM 2059 CD GLU B 765 14.228 28.546 9.039 1.00 47.19 C ATOM 2060 OE1 GLU B 765 13.398 29.480 9.063 1.00 48.65 O ATOM 2061 OE2 GLU B 765 14.826 28.177 10.089 1.00 46.61 O ATOM 0 H GLU B 765 11.426 26.949 5.458 1.00 32.58 H new ATOM 0 HA GLU B 765 13.377 25.593 6.575 1.00 39.03 H new ATOM 0 HB2 GLU B 765 13.808 27.764 5.822 1.00 39.23 H new ATOM 0 HB3 GLU B 765 12.796 28.353 6.852 1.00 39.23 H new ATOM 0 HG2 GLU B 765 14.956 26.976 7.928 1.00 47.18 H new ATOM 0 HG3 GLU B 765 15.285 28.358 7.285 1.00 47.18 H new ATOM 2062 N VAL B 766 11.089 26.653 8.535 1.00 31.68 N ATOM 2063 CA VAL B 766 10.473 26.473 9.843 1.00 28.21 C ATOM 2064 C VAL B 766 10.150 25.006 10.059 1.00 24.32 C ATOM 2065 O VAL B 766 10.417 24.474 11.118 1.00 20.90 O ATOM 2066 CB VAL B 766 9.199 27.373 10.049 1.00 31.28 C ATOM 2067 CG1 VAL B 766 8.445 26.975 11.335 1.00 31.55 C ATOM 2068 CG2 VAL B 766 9.621 28.837 10.143 1.00 29.14 C ATOM 0 H VAL B 766 10.672 27.200 8.018 1.00 31.68 H new ATOM 0 HA VAL B 766 11.114 26.763 10.511 1.00 28.21 H new ATOM 0 HB VAL B 766 8.607 27.245 9.292 1.00 31.28 H new ATOM 0 HG11 VAL B 766 7.665 27.542 11.442 1.00 31.55 H new ATOM 0 HG12 VAL B 766 8.165 26.048 11.272 1.00 31.55 H new ATOM 0 HG13 VAL B 766 9.030 27.084 12.101 1.00 31.55 H new ATOM 0 HG21 VAL B 766 8.836 29.393 10.270 1.00 29.14 H new ATOM 0 HG22 VAL B 766 10.224 28.953 10.894 1.00 29.14 H new ATOM 0 HG23 VAL B 766 10.072 29.097 9.324 1.00 29.14 H new ATOM 2069 N LEU B 767 9.635 24.341 9.055 1.00 21.87 N ATOM 2070 CA LEU B 767 9.233 22.960 9.275 1.00 24.40 C ATOM 2071 C LEU B 767 10.403 22.014 9.516 1.00 26.91 C ATOM 2072 O LEU B 767 10.207 20.959 10.142 1.00 23.25 O ATOM 2073 CB LEU B 767 8.432 22.412 8.103 1.00 25.24 C ATOM 2074 CG LEU B 767 7.072 23.045 7.708 1.00 27.85 C ATOM 2075 CD1 LEU B 767 6.473 22.425 6.455 1.00 29.38 C ATOM 2076 CD2 LEU B 767 6.081 22.962 8.847 1.00 25.46 C ATOM 0 H LEU B 767 9.509 24.648 8.262 1.00 21.87 H new ATOM 0 HA LEU B 767 8.689 22.993 10.077 1.00 24.40 H new ATOM 0 HB2 LEU B 767 9.005 22.455 7.321 1.00 25.24 H new ATOM 0 HB3 LEU B 767 8.268 21.473 8.283 1.00 25.24 H new ATOM 0 HG LEU B 767 7.257 23.977 7.511 1.00 27.85 H new ATOM 0 HD11 LEU B 767 5.627 22.855 6.253 1.00 29.38 H new ATOM 0 HD12 LEU B 767 7.083 22.546 5.710 1.00 29.38 H new ATOM 0 HD13 LEU B 767 6.326 21.477 6.601 1.00 29.38 H new ATOM 0 HD21 LEU B 767 5.241 23.364 8.575 1.00 25.46 H new ATOM 0 HD22 LEU B 767 5.934 22.032 9.081 1.00 25.46 H new ATOM 0 HD23 LEU B 767 6.432 23.437 9.617 1.00 25.46 H new ATOM 2077 N MET B 768 11.601 22.377 9.027 1.00 29.55 N ATOM 2078 CA MET B 768 12.810 21.544 9.236 1.00 31.78 C ATOM 2079 C MET B 768 13.474 21.730 10.613 1.00 29.78 C ATOM 2080 O MET B 768 14.364 20.928 10.976 1.00 27.90 O ATOM 2081 CB MET B 768 13.811 21.760 8.072 1.00 36.60 C ATOM 2082 CG MET B 768 13.340 21.122 6.764 1.00 40.42 C ATOM 2083 SD MET B 768 12.837 19.377 6.992 1.00 59.08 S ATOM 2084 CE MET B 768 14.428 18.644 7.410 1.00 57.43 C ATOM 0 H MET B 768 11.738 23.095 8.575 1.00 29.55 H new ATOM 0 HA MET B 768 12.516 20.620 9.233 1.00 31.78 H new ATOM 0 HB2 MET B 768 13.942 22.711 7.935 1.00 36.60 H new ATOM 0 HB3 MET B 768 14.672 21.388 8.318 1.00 36.60 H new ATOM 0 HG2 MET B 768 12.593 21.629 6.409 1.00 40.42 H new ATOM 0 HG3 MET B 768 14.053 21.169 6.108 1.00 40.42 H new ATOM 0 HE1 MET B 768 14.335 17.680 7.470 1.00 57.43 H new ATOM 0 HE2 MET B 768 15.076 18.863 6.723 1.00 57.43 H new ATOM 0 HE3 MET B 768 14.731 18.993 8.263 1.00 57.43 H new ATOM 2085 N ARG B 769 13.035 22.741 11.370 1.00 23.94 N ATOM 2086 CA ARG B 769 13.561 22.967 12.701 1.00 26.66 C ATOM 2087 C ARG B 769 13.340 21.773 13.589 1.00 27.54 C ATOM 2088 O ARG B 769 12.232 21.157 13.616 1.00 24.34 O ATOM 2089 CB ARG B 769 12.976 24.197 13.354 1.00 27.94 C ATOM 2090 CG ARG B 769 13.282 25.460 12.573 1.00 31.77 C ATOM 2091 CD ARG B 769 12.989 26.678 13.376 1.00 32.84 C ATOM 2092 NE ARG B 769 13.007 27.847 12.532 1.00 38.06 N ATOM 2093 CZ ARG B 769 12.486 29.036 12.845 1.00 44.01 C ATOM 2094 NH1 ARG B 769 11.833 29.222 14.003 1.00 47.72 N ATOM 2095 NH2 ARG B 769 12.594 30.046 11.966 1.00 45.11 N ATOM 0 H ARG B 769 12.432 23.303 11.123 1.00 23.94 H new ATOM 0 HA ARG B 769 14.514 23.111 12.591 1.00 26.66 H new ATOM 0 HB2 ARG B 769 12.015 24.093 13.434 1.00 27.94 H new ATOM 0 HB3 ARG B 769 13.328 24.282 14.254 1.00 27.94 H new ATOM 0 HG2 ARG B 769 14.215 25.461 12.309 1.00 31.77 H new ATOM 0 HG3 ARG B 769 12.757 25.474 11.758 1.00 31.77 H new ATOM 0 HD2 ARG B 769 12.122 26.592 13.802 1.00 32.84 H new ATOM 0 HD3 ARG B 769 13.645 26.772 14.084 1.00 32.84 H new ATOM 0 HE ARG B 769 13.385 27.772 11.763 1.00 38.06 H new ATOM 0 HH11 ARG B 769 11.745 28.570 14.557 1.00 47.72 H new ATOM 0 HH12 ARG B 769 11.503 29.993 14.191 1.00 47.72 H new ATOM 0 HH21 ARG B 769 12.994 29.921 11.215 1.00 45.11 H new ATOM 0 HH22 ARG B 769 12.263 30.817 12.154 1.00 45.11 H new ATOM 2096 N GLN B 770 14.409 21.409 14.277 1.00 26.08 N ATOM 2097 CA GLN B 770 14.305 20.361 15.278 1.00 26.55 C ATOM 2098 C GLN B 770 13.571 20.815 16.507 1.00 25.11 C ATOM 2099 O GLN B 770 13.612 21.997 16.918 1.00 20.44 O ATOM 2100 CB GLN B 770 15.704 19.810 15.634 1.00 26.96 C ATOM 2101 CG GLN B 770 16.350 19.136 14.422 1.00 29.18 C ATOM 2102 CD GLN B 770 17.731 18.583 14.731 1.00 34.44 C ATOM 2103 OE1 GLN B 770 18.106 18.451 15.881 1.00 33.39 O ATOM 2104 NE2 GLN B 770 18.473 18.247 13.702 1.00 38.25 N ATOM 0 H GLN B 770 15.193 21.749 14.183 1.00 26.08 H new ATOM 0 HA GLN B 770 13.780 19.643 14.891 1.00 26.55 H new ATOM 0 HB2 GLN B 770 16.270 20.533 15.947 1.00 26.96 H new ATOM 0 HB3 GLN B 770 15.629 19.173 16.362 1.00 26.96 H new ATOM 0 HG2 GLN B 770 15.778 18.416 14.113 1.00 29.18 H new ATOM 0 HG3 GLN B 770 16.416 19.777 13.697 1.00 29.18 H new ATOM 0 HE21 GLN B 770 18.174 18.355 12.903 1.00 38.25 H new ATOM 0 HE22 GLN B 770 19.258 17.919 13.827 1.00 38.25 H new ATOM 2105 N MET B 771 12.955 19.844 17.155 1.00 23.61 N ATOM 2106 CA MET B 771 12.150 20.128 18.342 1.00 24.48 C ATOM 2107 C MET B 771 12.958 20.329 19.609 1.00 22.23 C ATOM 2108 O MET B 771 12.689 19.730 20.628 1.00 20.93 O ATOM 2109 CB MET B 771 11.006 19.136 18.521 1.00 24.27 C ATOM 2110 CG MET B 771 9.960 19.225 17.445 1.00 28.84 C ATOM 2111 SD MET B 771 8.772 20.624 17.618 1.00 26.41 S ATOM 2112 CE MET B 771 7.486 19.796 18.519 1.00 31.29 C ATOM 0 H MET B 771 12.986 19.014 16.930 1.00 23.61 H new ATOM 0 HA MET B 771 11.745 20.993 18.171 1.00 24.48 H new ATOM 0 HB2 MET B 771 11.368 18.236 18.537 1.00 24.27 H new ATOM 0 HB3 MET B 771 10.587 19.289 19.382 1.00 24.27 H new ATOM 0 HG2 MET B 771 10.405 19.302 16.587 1.00 28.84 H new ATOM 0 HG3 MET B 771 9.459 18.394 17.431 1.00 28.84 H new ATOM 0 HE1 MET B 771 6.806 20.438 18.777 1.00 31.29 H new ATOM 0 HE2 MET B 771 7.087 19.112 17.959 1.00 31.29 H new ATOM 0 HE3 MET B 771 7.860 19.385 19.314 1.00 31.29 H new ATOM 2113 N LEU B 772 13.888 21.293 19.559 1.00 23.05 N ATOM 2114 CA LEU B 772 14.497 21.830 20.784 1.00 22.23 C ATOM 2115 C LEU B 772 13.468 22.468 21.689 1.00 25.14 C ATOM 2116 O LEU B 772 12.347 22.775 21.241 1.00 20.92 O ATOM 2117 CB LEU B 772 15.571 22.846 20.421 1.00 27.37 C ATOM 2118 CG LEU B 772 16.709 22.293 19.526 1.00 30.81 C ATOM 2119 CD1 LEU B 772 17.598 23.405 19.072 1.00 30.96 C ATOM 2120 CD2 LEU B 772 17.533 21.245 20.262 1.00 30.89 C ATOM 0 H LEU B 772 14.178 21.647 18.831 1.00 23.05 H new ATOM 0 HA LEU B 772 14.895 21.090 21.268 1.00 22.23 H new ATOM 0 HB2 LEU B 772 15.152 23.593 19.966 1.00 27.37 H new ATOM 0 HB3 LEU B 772 15.959 23.194 21.239 1.00 27.37 H new ATOM 0 HG LEU B 772 16.299 21.872 18.754 1.00 30.81 H new ATOM 0 HD11 LEU B 772 18.305 23.047 18.513 1.00 30.96 H new ATOM 0 HD12 LEU B 772 17.079 24.047 18.563 1.00 30.96 H new ATOM 0 HD13 LEU B 772 17.988 23.844 19.844 1.00 30.96 H new ATOM 0 HD21 LEU B 772 18.236 20.918 19.679 1.00 30.89 H new ATOM 0 HD22 LEU B 772 17.929 21.642 21.054 1.00 30.89 H new ATOM 0 HD23 LEU B 772 16.960 20.507 20.523 1.00 30.89 H new ATOM 2121 N PRO B 773 13.828 22.699 22.979 1.00 22.39 N ATOM 2122 CA PRO B 773 12.880 23.190 23.950 1.00 22.48 C ATOM 2123 C PRO B 773 12.042 24.411 23.534 1.00 22.82 C ATOM 2124 O PRO B 773 10.806 24.372 23.727 1.00 19.92 O ATOM 2125 CB PRO B 773 13.756 23.463 25.198 1.00 22.78 C ATOM 2126 CG PRO B 773 14.773 22.343 25.103 1.00 22.43 C ATOM 2127 CD PRO B 773 15.078 22.224 23.630 1.00 24.17 C ATOM 0 HA PRO B 773 12.177 22.537 24.093 1.00 22.48 H new ATOM 0 HB2 PRO B 773 14.173 24.338 25.167 1.00 22.78 H new ATOM 0 HB3 PRO B 773 13.243 23.422 26.020 1.00 22.78 H new ATOM 0 HG2 PRO B 773 15.572 22.549 25.613 1.00 22.43 H new ATOM 0 HG3 PRO B 773 14.417 21.513 25.457 1.00 22.43 H new ATOM 0 HD2 PRO B 773 15.841 22.767 23.378 1.00 24.17 H new ATOM 0 HD3 PRO B 773 15.286 21.310 23.381 1.00 24.17 H new ATOM 2128 N GLU B 774 12.653 25.412 22.909 1.00 24.95 N ATOM 2129 CA GLU B 774 11.865 26.590 22.466 1.00 29.00 C ATOM 2130 C GLU B 774 10.897 26.243 21.341 1.00 26.80 C ATOM 2131 O GLU B 774 9.776 26.788 21.286 1.00 27.29 O ATOM 2132 CB GLU B 774 12.780 27.800 22.134 1.00 27.54 C ATOM 2133 CG GLU B 774 13.339 28.417 23.427 1.00 30.25 C ATOM 2134 CD GLU B 774 14.142 29.723 23.256 1.00 35.86 C ATOM 2135 OE1 GLU B 774 14.406 30.160 22.095 1.00 36.70 O ATOM 2136 OE2 GLU B 774 14.511 30.305 24.320 1.00 36.69 O ATOM 0 H GLU B 774 13.494 25.442 22.730 1.00 24.95 H new ATOM 0 HA GLU B 774 11.311 26.866 23.213 1.00 29.00 H new ATOM 0 HB2 GLU B 774 13.510 27.514 21.563 1.00 27.54 H new ATOM 0 HB3 GLU B 774 12.278 28.467 21.640 1.00 27.54 H new ATOM 0 HG2 GLU B 774 12.599 28.589 24.029 1.00 30.25 H new ATOM 0 HG3 GLU B 774 13.909 27.761 23.858 1.00 30.25 H new ATOM 2137 N GLU B 775 11.281 25.352 20.445 1.00 26.25 N ATOM 2138 CA GLU B 775 10.388 24.981 19.353 1.00 26.48 C ATOM 2139 C GLU B 775 9.228 24.103 19.861 1.00 24.80 C ATOM 2140 O GLU B 775 8.073 24.242 19.431 1.00 23.86 O ATOM 2141 CB GLU B 775 11.111 24.369 18.125 1.00 29.43 C ATOM 2142 CG GLU B 775 12.419 25.037 17.695 1.00 40.93 C ATOM 2143 CD GLU B 775 12.273 26.476 17.213 1.00 50.40 C ATOM 2144 OE1 GLU B 775 11.329 26.798 16.454 1.00 53.47 O ATOM 2145 OE2 GLU B 775 13.129 27.291 17.594 1.00 58.25 O ATOM 0 H GLU B 775 12.043 24.953 20.446 1.00 26.25 H new ATOM 0 HA GLU B 775 10.008 25.809 19.019 1.00 26.48 H new ATOM 0 HB2 GLU B 775 11.296 23.436 18.316 1.00 29.43 H new ATOM 0 HB3 GLU B 775 10.499 24.389 17.373 1.00 29.43 H new ATOM 0 HG2 GLU B 775 13.037 25.021 18.443 1.00 40.93 H new ATOM 0 HG3 GLU B 775 12.818 24.510 16.985 1.00 40.93 H new ATOM 2146 N GLN B 776 9.512 23.239 20.833 1.00 23.36 N ATOM 2147 CA GLN B 776 8.528 22.425 21.497 1.00 22.67 C ATOM 2148 C GLN B 776 7.517 23.340 22.195 1.00 21.96 C ATOM 2149 O GLN B 776 6.332 23.152 22.055 1.00 16.88 O ATOM 2150 CB GLN B 776 9.256 21.466 22.465 1.00 23.22 C ATOM 2151 CG GLN B 776 8.408 20.693 23.434 1.00 21.92 C ATOM 2152 CD GLN B 776 7.841 19.401 22.873 1.00 21.54 C ATOM 2153 OE1 GLN B 776 8.370 18.806 21.952 1.00 21.08 O ATOM 2154 NE2 GLN B 776 6.710 19.005 23.419 1.00 22.17 N ATOM 0 H GLN B 776 10.311 23.114 21.126 1.00 23.36 H new ATOM 0 HA GLN B 776 8.029 21.878 20.871 1.00 22.67 H new ATOM 0 HB2 GLN B 776 9.761 20.830 21.935 1.00 23.22 H new ATOM 0 HB3 GLN B 776 9.898 21.984 22.975 1.00 23.22 H new ATOM 0 HG2 GLN B 776 8.938 20.487 24.220 1.00 21.92 H new ATOM 0 HG3 GLN B 776 7.674 21.256 23.727 1.00 21.92 H new ATOM 0 HE21 GLN B 776 6.367 19.452 24.069 1.00 22.17 H new ATOM 0 HE22 GLN B 776 6.315 18.300 23.126 1.00 22.17 H new ATOM 2155 N LEU B 777 7.998 24.366 22.919 1.00 20.22 N ATOM 2156 CA LEU B 777 7.121 25.327 23.522 1.00 20.62 C ATOM 2157 C LEU B 777 6.249 26.057 22.465 1.00 21.58 C ATOM 2158 O LEU B 777 5.026 26.266 22.674 1.00 21.06 O ATOM 2159 CB LEU B 777 7.892 26.350 24.344 1.00 22.88 C ATOM 2160 CG LEU B 777 7.039 27.195 25.293 1.00 24.43 C ATOM 2161 CD1 LEU B 777 6.530 26.341 26.454 1.00 26.74 C ATOM 2162 CD2 LEU B 777 7.837 28.406 25.878 1.00 25.90 C ATOM 0 H LEU B 777 8.834 24.506 23.061 1.00 20.22 H new ATOM 0 HA LEU B 777 6.535 24.830 24.113 1.00 20.62 H new ATOM 0 HB2 LEU B 777 8.566 25.885 24.864 1.00 22.88 H new ATOM 0 HB3 LEU B 777 8.362 26.944 23.738 1.00 22.88 H new ATOM 0 HG LEU B 777 6.295 27.536 24.773 1.00 24.43 H new ATOM 0 HD11 LEU B 777 5.992 26.888 27.047 1.00 26.74 H new ATOM 0 HD12 LEU B 777 5.991 25.613 26.108 1.00 26.74 H new ATOM 0 HD13 LEU B 777 7.284 25.979 26.945 1.00 26.74 H new ATOM 0 HD21 LEU B 777 7.264 28.915 26.472 1.00 25.90 H new ATOM 0 HD22 LEU B 777 8.605 28.079 26.372 1.00 25.90 H new ATOM 0 HD23 LEU B 777 8.138 28.976 25.153 1.00 25.90 H new ATOM 2163 N LYS B 778 6.858 26.439 21.363 1.00 19.45 N ATOM 2164 CA LYS B 778 6.068 27.185 20.363 1.00 21.01 C ATOM 2165 C LYS B 778 4.952 26.348 19.773 1.00 18.49 C ATOM 2166 O LYS B 778 3.856 26.850 19.516 1.00 20.12 O ATOM 2167 CB LYS B 778 6.976 27.762 19.308 1.00 23.19 C ATOM 2168 CG LYS B 778 7.739 28.937 19.856 1.00 24.88 C ATOM 2169 CD LYS B 778 8.769 29.366 18.854 1.00 33.72 C ATOM 2170 CE LYS B 778 9.389 30.684 19.225 1.00 42.03 C ATOM 2171 NZ LYS B 778 10.577 30.870 18.331 1.00 52.00 N ATOM 0 H LYS B 778 7.683 26.295 21.166 1.00 19.45 H new ATOM 0 HA LYS B 778 5.630 27.923 20.814 1.00 21.01 H new ATOM 0 HB2 LYS B 778 7.596 27.082 19.000 1.00 23.19 H new ATOM 0 HB3 LYS B 778 6.453 28.039 18.539 1.00 23.19 H new ATOM 0 HG2 LYS B 778 7.133 29.670 20.047 1.00 24.88 H new ATOM 0 HG3 LYS B 778 8.166 28.697 20.693 1.00 24.88 H new ATOM 0 HD2 LYS B 778 9.461 28.689 18.790 1.00 33.72 H new ATOM 0 HD3 LYS B 778 8.359 29.436 17.978 1.00 33.72 H new ATOM 0 HE2 LYS B 778 8.754 31.408 19.108 1.00 42.03 H new ATOM 0 HE3 LYS B 778 9.656 30.688 20.158 1.00 42.03 H new ATOM 0 HZ1 LYS B 778 10.973 31.644 18.521 1.00 52.00 H new ATOM 0 HZ2 LYS B 778 11.152 30.203 18.459 1.00 52.00 H new ATOM 0 HZ3 LYS B 778 10.312 30.874 17.481 1.00 52.00 H new ATOM 2172 N CYS B 779 5.185 25.069 19.615 1.00 16.05 N ATOM 2173 CA CYS B 779 4.191 24.179 19.130 1.00 17.84 C ATOM 2174 C CYS B 779 3.108 23.890 20.140 1.00 17.16 C ATOM 2175 O CYS B 779 1.943 23.806 19.757 1.00 17.46 O ATOM 2176 CB CYS B 779 4.826 22.846 18.610 1.00 20.30 C ATOM 2177 SG CYS B 779 5.849 22.890 17.127 1.00 23.01 S ATOM 0 H CYS B 779 5.939 24.695 19.791 1.00 16.05 H new ATOM 0 HA CYS B 779 3.766 24.635 18.387 1.00 17.84 H new ATOM 0 HB2 CYS B 779 5.365 22.478 19.328 1.00 20.30 H new ATOM 0 HB3 CYS B 779 4.103 22.220 18.449 1.00 20.30 H new ATOM 0 HG CYS B 779 6.795 22.166 17.271 1.00 23.01 H new ATOM 2178 N GLU B 780 3.483 23.762 21.445 1.00 18.58 N ATOM 2179 CA GLU B 780 2.551 23.732 22.516 1.00 17.71 C ATOM 2180 C GLU B 780 1.557 24.955 22.515 1.00 18.19 C ATOM 2181 O GLU B 780 0.318 24.816 22.652 1.00 15.49 O ATOM 2182 CB GLU B 780 3.260 23.577 23.862 1.00 18.42 C ATOM 2183 CG GLU B 780 3.859 22.157 24.036 1.00 21.93 C ATOM 2184 CD GLU B 780 4.913 22.002 25.139 1.00 23.81 C ATOM 2185 OE1 GLU B 780 5.405 23.040 25.654 1.00 23.40 O ATOM 2186 OE2 GLU B 780 5.293 20.810 25.472 1.00 25.04 O ATOM 0 H GLU B 780 4.303 23.692 21.696 1.00 18.58 H new ATOM 0 HA GLU B 780 1.999 22.947 22.375 1.00 17.71 H new ATOM 0 HB2 GLU B 780 3.967 24.237 23.933 1.00 18.42 H new ATOM 0 HB3 GLU B 780 2.633 23.754 24.580 1.00 18.42 H new ATOM 0 HG2 GLU B 780 3.133 21.539 24.218 1.00 21.93 H new ATOM 0 HG3 GLU B 780 4.257 21.888 23.193 1.00 21.93 H new ATOM 2187 N PHE B 781 2.132 26.114 22.359 1.00 17.44 N ATOM 2188 CA PHE B 781 1.358 27.350 22.347 1.00 20.01 C ATOM 2189 C PHE B 781 0.465 27.396 21.145 1.00 18.33 C ATOM 2190 O PHE B 781 -0.741 27.747 21.225 1.00 18.53 O ATOM 2191 CB PHE B 781 2.317 28.511 22.350 1.00 21.16 C ATOM 2192 CG PHE B 781 1.661 29.854 22.447 1.00 21.30 C ATOM 2193 CD1 PHE B 781 0.751 30.114 23.476 1.00 22.74 C ATOM 2194 CD2 PHE B 781 2.028 30.891 21.562 1.00 23.75 C ATOM 2195 CE1 PHE B 781 0.138 31.395 23.628 1.00 23.35 C ATOM 2196 CE2 PHE B 781 1.428 32.161 21.685 1.00 26.30 C ATOM 2197 CZ PHE B 781 0.472 32.409 22.727 1.00 25.34 C ATOM 0 H PHE B 781 2.979 26.222 22.256 1.00 17.44 H new ATOM 0 HA PHE B 781 0.791 27.395 23.133 1.00 20.01 H new ATOM 0 HB2 PHE B 781 2.930 28.408 23.094 1.00 21.16 H new ATOM 0 HB3 PHE B 781 2.848 28.480 21.539 1.00 21.16 H new ATOM 0 HD1 PHE B 781 0.540 29.436 24.076 1.00 22.74 H new ATOM 0 HD2 PHE B 781 2.663 30.737 20.900 1.00 23.75 H new ATOM 0 HE1 PHE B 781 -0.471 31.551 24.313 1.00 23.35 H new ATOM 0 HE2 PHE B 781 1.652 32.840 21.090 1.00 26.30 H new ATOM 0 HZ PHE B 781 0.074 33.246 22.802 1.00 25.34 H new ATOM 2198 N LEU B 782 0.993 26.981 20.013 1.00 18.76 N ATOM 2199 CA LEU B 782 0.147 26.852 18.814 1.00 19.99 C ATOM 2200 C LEU B 782 -1.038 25.947 19.011 1.00 20.63 C ATOM 2201 O LEU B 782 -2.191 26.300 18.675 1.00 17.42 O ATOM 2202 CB LEU B 782 1.012 26.483 17.611 1.00 22.09 C ATOM 2203 CG LEU B 782 0.409 26.364 16.237 1.00 23.51 C ATOM 2204 CD1 LEU B 782 -0.521 27.513 15.806 1.00 24.99 C ATOM 2205 CD2 LEU B 782 1.604 26.209 15.324 1.00 25.13 C ATOM 0 H LEU B 782 1.819 26.770 19.904 1.00 18.76 H new ATOM 0 HA LEU B 782 -0.256 27.716 18.634 1.00 19.99 H new ATOM 0 HB2 LEU B 782 1.720 27.144 17.555 1.00 22.09 H new ATOM 0 HB3 LEU B 782 1.433 25.633 17.812 1.00 22.09 H new ATOM 0 HG LEU B 782 -0.202 25.611 16.207 1.00 23.51 H new ATOM 0 HD11 LEU B 782 -0.855 27.341 14.912 1.00 24.99 H new ATOM 0 HD12 LEU B 782 -1.267 27.574 16.423 1.00 24.99 H new ATOM 0 HD13 LEU B 782 -0.028 28.348 15.812 1.00 24.99 H new ATOM 0 HD21 LEU B 782 1.302 26.125 14.406 1.00 25.13 H new ATOM 0 HD22 LEU B 782 2.177 26.988 15.405 1.00 25.13 H new ATOM 0 HD23 LEU B 782 2.102 25.415 15.574 1.00 25.13 H new ATOM 2206 N LEU B 783 -0.810 24.786 19.633 1.00 20.47 N ATOM 2207 CA LEU B 783 -1.909 23.855 19.879 1.00 19.43 C ATOM 2208 C LEU B 783 -2.955 24.458 20.859 1.00 17.53 C ATOM 2209 O LEU B 783 -4.179 24.315 20.667 1.00 14.37 O ATOM 2210 CB LEU B 783 -1.359 22.494 20.463 1.00 17.84 C ATOM 2211 CG LEU B 783 -2.372 21.440 20.754 1.00 19.11 C ATOM 2212 CD1 LEU B 783 -3.150 21.121 19.484 1.00 20.17 C ATOM 2213 CD2 LEU B 783 -1.702 20.144 21.236 1.00 19.61 C ATOM 0 H LEU B 783 -0.041 24.525 19.915 1.00 20.47 H new ATOM 0 HA LEU B 783 -2.346 23.688 19.029 1.00 19.43 H new ATOM 0 HB2 LEU B 783 -0.715 22.132 19.834 1.00 17.84 H new ATOM 0 HB3 LEU B 783 -0.877 22.687 21.283 1.00 17.84 H new ATOM 0 HG LEU B 783 -2.960 21.776 21.449 1.00 19.11 H new ATOM 0 HD11 LEU B 783 -3.810 20.435 19.672 1.00 20.17 H new ATOM 0 HD12 LEU B 783 -3.598 21.922 19.169 1.00 20.17 H new ATOM 0 HD13 LEU B 783 -2.539 20.803 18.801 1.00 20.17 H new ATOM 0 HD21 LEU B 783 -2.382 19.476 21.418 1.00 19.61 H new ATOM 0 HD22 LEU B 783 -1.102 19.815 20.549 1.00 19.61 H new ATOM 0 HD23 LEU B 783 -1.199 20.322 22.046 1.00 19.61 H new ATOM 2214 N LEU B 784 -2.448 25.144 21.914 1.00 19.98 N ATOM 2215 CA LEU B 784 -3.284 25.824 22.857 1.00 18.88 C ATOM 2216 C LEU B 784 -4.184 26.896 22.194 1.00 19.54 C ATOM 2217 O LEU B 784 -5.373 26.949 22.496 1.00 20.37 O ATOM 2218 CB LEU B 784 -2.502 26.393 24.014 1.00 19.26 C ATOM 2219 CG LEU B 784 -3.395 27.093 25.053 1.00 20.48 C ATOM 2220 CD1 LEU B 784 -2.877 26.868 26.456 1.00 22.53 C ATOM 2221 CD2 LEU B 784 -3.422 28.577 24.777 1.00 20.78 C ATOM 0 H LEU B 784 -1.606 25.211 22.078 1.00 19.98 H new ATOM 0 HA LEU B 784 -3.877 25.148 23.220 1.00 18.88 H new ATOM 0 HB2 LEU B 784 -2.008 25.679 24.447 1.00 19.26 H new ATOM 0 HB3 LEU B 784 -1.849 27.026 23.677 1.00 19.26 H new ATOM 0 HG LEU B 784 -4.287 26.719 24.984 1.00 20.48 H new ATOM 0 HD11 LEU B 784 -3.456 27.318 27.091 1.00 22.53 H new ATOM 0 HD12 LEU B 784 -2.865 25.917 26.648 1.00 22.53 H new ATOM 0 HD13 LEU B 784 -1.978 27.224 26.530 1.00 22.53 H new ATOM 0 HD21 LEU B 784 -3.985 29.018 25.432 1.00 20.78 H new ATOM 0 HD22 LEU B 784 -2.522 28.933 24.833 1.00 20.78 H new ATOM 0 HD23 LEU B 784 -3.777 28.735 23.888 1.00 20.78 H new ATOM 2222 N LYS B 785 -3.645 27.663 21.270 1.00 23.53 N ATOM 2223 CA LYS B 785 -4.434 28.652 20.475 1.00 22.35 C ATOM 2224 C LYS B 785 -5.573 28.023 19.743 1.00 21.28 C ATOM 2225 O LYS B 785 -6.673 28.571 19.739 1.00 24.13 O ATOM 2226 CB LYS B 785 -3.566 29.476 19.542 1.00 22.95 C ATOM 2227 CG LYS B 785 -2.559 30.398 20.238 1.00 26.20 C ATOM 2228 CD LYS B 785 -3.052 31.333 21.336 1.00 31.45 C ATOM 2229 CE LYS B 785 -4.034 32.376 20.872 1.00 36.77 C ATOM 2230 NZ LYS B 785 -3.509 33.437 19.990 1.00 42.07 N ATOM 0 H LYS B 785 -2.809 27.642 21.068 1.00 23.53 H new ATOM 0 HA LYS B 785 -4.816 29.264 21.124 1.00 22.35 H new ATOM 0 HB2 LYS B 785 -3.081 28.873 18.957 1.00 22.95 H new ATOM 0 HB3 LYS B 785 -4.142 30.016 18.979 1.00 22.95 H new ATOM 0 HG2 LYS B 785 -1.864 29.839 20.619 1.00 26.20 H new ATOM 0 HG3 LYS B 785 -2.140 30.944 19.554 1.00 26.20 H new ATOM 0 HD2 LYS B 785 -3.466 30.803 22.035 1.00 31.45 H new ATOM 0 HD3 LYS B 785 -2.288 31.779 21.733 1.00 31.45 H new ATOM 0 HE2 LYS B 785 -4.756 31.926 20.407 1.00 36.77 H new ATOM 0 HE3 LYS B 785 -4.420 32.798 21.655 1.00 36.77 H new ATOM 0 HZ1 LYS B 785 -4.129 34.067 19.881 1.00 42.07 H new ATOM 0 HZ2 LYS B 785 -2.783 33.797 20.358 1.00 42.07 H new ATOM 0 HZ3 LYS B 785 -3.299 33.088 19.199 1.00 42.07 H new ATOM 2231 N VAL B 786 -5.381 26.832 19.195 1.00 22.58 N ATOM 2232 CA VAL B 786 -6.485 26.118 18.560 1.00 20.43 C ATOM 2233 C VAL B 786 -7.537 25.723 19.567 1.00 21.92 C ATOM 2234 O VAL B 786 -8.743 25.980 19.353 1.00 18.70 O ATOM 2235 CB VAL B 786 -6.001 24.917 17.728 1.00 22.43 C ATOM 2236 CG1 VAL B 786 -7.161 24.067 17.216 1.00 22.29 C ATOM 2237 CG2 VAL B 786 -5.100 25.382 16.603 1.00 22.45 C ATOM 0 H VAL B 786 -4.626 26.420 19.178 1.00 22.58 H new ATOM 0 HA VAL B 786 -6.900 26.733 17.935 1.00 20.43 H new ATOM 0 HB VAL B 786 -5.481 24.342 18.311 1.00 22.43 H new ATOM 0 HG11 VAL B 786 -6.814 23.324 16.699 1.00 22.29 H new ATOM 0 HG12 VAL B 786 -7.670 23.727 17.968 1.00 22.29 H new ATOM 0 HG13 VAL B 786 -7.737 24.610 16.655 1.00 22.29 H new ATOM 0 HG21 VAL B 786 -4.803 24.615 16.088 1.00 22.45 H new ATOM 0 HG22 VAL B 786 -5.590 25.989 16.026 1.00 22.45 H new ATOM 0 HG23 VAL B 786 -4.329 25.840 16.974 1.00 22.45 H new ATOM 2238 N TYR B 787 -7.120 25.082 20.684 1.00 20.06 N ATOM 2239 CA TYR B 787 -8.053 24.788 21.768 1.00 18.62 C ATOM 2240 C TYR B 787 -8.855 26.006 22.308 1.00 18.07 C ATOM 2241 O TYR B 787 -10.020 25.830 22.746 1.00 21.23 O ATOM 2242 CB TYR B 787 -7.353 24.040 22.945 1.00 17.37 C ATOM 2243 CG TYR B 787 -7.106 22.533 22.767 1.00 17.97 C ATOM 2244 CD1 TYR B 787 -8.080 21.620 23.047 1.00 19.22 C ATOM 2245 CD2 TYR B 787 -5.847 22.016 22.399 1.00 18.38 C ATOM 2246 CE1 TYR B 787 -7.875 20.247 22.911 1.00 18.36 C ATOM 2247 CE2 TYR B 787 -5.627 20.648 22.311 1.00 17.41 C ATOM 2248 CZ TYR B 787 -6.618 19.780 22.583 1.00 18.61 C ATOM 2249 OH TYR B 787 -6.411 18.434 22.576 1.00 19.46 O ATOM 0 H TYR B 787 -6.313 24.818 20.820 1.00 20.06 H new ATOM 0 HA TYR B 787 -8.711 24.207 21.355 1.00 18.62 H new ATOM 0 HB2 TYR B 787 -6.498 24.468 23.108 1.00 17.37 H new ATOM 0 HB3 TYR B 787 -7.890 24.165 23.743 1.00 17.37 H new ATOM 0 HD1 TYR B 787 -8.909 21.923 23.339 1.00 19.22 H new ATOM 0 HD2 TYR B 787 -5.150 22.603 22.212 1.00 18.38 H new ATOM 0 HE1 TYR B 787 -8.578 19.652 23.040 1.00 18.36 H new ATOM 0 HE2 TYR B 787 -4.789 20.330 22.062 1.00 17.41 H new ATOM 0 HH TYR B 787 -7.046 18.051 22.970 1.00 19.46 H new ATOM 2250 N CYS B 788 -8.274 27.188 22.284 1.00 18.93 N ATOM 2251 CA CYS B 788 -8.962 28.439 22.690 1.00 21.75 C ATOM 2252 C CYS B 788 -10.228 28.775 21.886 1.00 24.16 C ATOM 2253 O CYS B 788 -11.145 29.432 22.411 1.00 27.28 O ATOM 2254 CB CYS B 788 -8.025 29.655 22.674 1.00 21.11 C ATOM 2255 SG CYS B 788 -6.794 29.570 24.032 1.00 24.01 S ATOM 0 H CYS B 788 -7.461 27.307 22.032 1.00 18.93 H new ATOM 0 HA CYS B 788 -9.244 28.250 23.599 1.00 21.75 H new ATOM 0 HB2 CYS B 788 -7.565 29.700 21.821 1.00 21.11 H new ATOM 0 HB3 CYS B 788 -8.547 30.468 22.758 1.00 21.11 H new ATOM 0 HG CYS B 788 -6.045 28.653 23.837 1.00 24.01 H new ATOM 2256 N ASP B 789 -10.313 28.255 20.671 1.00 22.32 N ATOM 2257 CA ASP B 789 -11.476 28.453 19.823 1.00 23.55 C ATOM 2258 C ASP B 789 -12.547 27.507 20.220 1.00 21.28 C ATOM 2259 O ASP B 789 -12.274 26.348 20.401 1.00 20.35 O ATOM 2260 CB ASP B 789 -11.161 28.284 18.306 1.00 23.65 C ATOM 2261 CG ASP B 789 -12.273 28.956 17.466 1.00 25.09 C ATOM 2262 OD1 ASP B 789 -13.343 28.358 17.320 1.00 24.79 O ATOM 2263 OD2 ASP B 789 -12.155 30.167 17.261 1.00 27.83 O ATOM 0 H ASP B 789 -9.695 27.775 20.314 1.00 22.32 H new ATOM 0 HA ASP B 789 -11.767 29.370 19.950 1.00 23.55 H new ATOM 0 HB2 ASP B 789 -10.301 28.682 18.099 1.00 23.65 H new ATOM 0 HB3 ASP B 789 -11.099 27.342 18.082 1.00 23.65 H new ATOM 2264 N SER B 790 -13.812 27.952 20.340 1.00 20.43 N ATOM 2265 CA SER B 790 -14.810 27.048 20.902 1.00 21.64 C ATOM 2266 C SER B 790 -15.150 25.943 19.888 1.00 20.10 C ATOM 2267 O SER B 790 -15.525 24.842 20.260 1.00 25.93 O ATOM 2268 CB SER B 790 -16.054 27.802 21.317 1.00 26.45 C ATOM 2269 OG SER B 790 -16.595 28.322 20.137 1.00 30.65 O ATOM 0 H SER B 790 -14.094 28.732 20.113 1.00 20.43 H new ATOM 0 HA SER B 790 -14.439 26.635 21.698 1.00 21.64 H new ATOM 0 HB2 SER B 790 -16.686 27.214 21.760 1.00 26.45 H new ATOM 0 HB3 SER B 790 -15.839 28.511 21.943 1.00 26.45 H new ATOM 0 HG SER B 790 -16.176 29.016 19.918 1.00 30.65 H new ATOM 2270 N LYS B 791 -14.940 26.212 18.604 1.00 19.83 N ATOM 2271 CA LYS B 791 -15.131 25.189 17.539 1.00 20.26 C ATOM 2272 C LYS B 791 -14.136 24.021 17.562 1.00 21.38 C ATOM 2273 O LYS B 791 -14.355 22.963 16.946 1.00 22.33 O ATOM 2274 CB LYS B 791 -15.052 25.917 16.199 1.00 22.21 C ATOM 2275 CG LYS B 791 -16.253 26.833 15.905 1.00 25.80 C ATOM 2276 CD LYS B 791 -15.936 27.752 14.698 1.00 31.33 C ATOM 2277 CE LYS B 791 -17.046 28.759 14.442 1.00 35.69 C ATOM 2278 NZ LYS B 791 -18.213 28.127 13.735 1.00 35.97 N ATOM 0 H LYS B 791 -14.685 26.980 18.313 1.00 19.83 H new ATOM 0 HA LYS B 791 -15.992 24.770 17.692 1.00 20.26 H new ATOM 0 HB2 LYS B 791 -14.241 26.448 16.179 1.00 22.21 H new ATOM 0 HB3 LYS B 791 -14.978 25.260 15.489 1.00 22.21 H new ATOM 0 HG2 LYS B 791 -17.039 26.297 15.716 1.00 25.80 H new ATOM 0 HG3 LYS B 791 -16.458 27.371 16.686 1.00 25.80 H new ATOM 0 HD2 LYS B 791 -15.104 28.223 14.861 1.00 31.33 H new ATOM 0 HD3 LYS B 791 -15.804 27.209 13.905 1.00 31.33 H new ATOM 0 HE2 LYS B 791 -17.343 29.136 15.285 1.00 35.69 H new ATOM 0 HE3 LYS B 791 -16.702 29.493 13.909 1.00 35.69 H new ATOM 0 HZ1 LYS B 791 -18.903 28.689 13.740 1.00 35.97 H new ATOM 0 HZ2 LYS B 791 -17.987 27.944 12.894 1.00 35.97 H new ATOM 0 HZ3 LYS B 791 -18.440 27.374 14.152 1.00 35.97 H new ATOM 2279 N SER B 792 -13.063 24.168 18.333 1.00 21.35 N ATOM 2280 CA SER B 792 -12.123 23.038 18.579 1.00 20.25 C ATOM 2281 C SER B 792 -12.786 21.800 19.145 1.00 22.76 C ATOM 2282 O SER B 792 -12.218 20.696 18.991 1.00 24.00 O ATOM 2283 CB SER B 792 -10.947 23.477 19.433 1.00 20.45 C ATOM 2284 OG SER B 792 -11.308 23.707 20.775 1.00 18.97 O ATOM 0 H SER B 792 -12.850 24.902 18.727 1.00 21.35 H new ATOM 0 HA SER B 792 -11.790 22.778 17.706 1.00 20.25 H new ATOM 0 HB2 SER B 792 -10.256 22.797 19.400 1.00 20.45 H new ATOM 0 HB3 SER B 792 -10.566 24.288 19.061 1.00 20.45 H new ATOM 0 HG SER B 792 -11.627 24.480 20.851 1.00 18.97 H new ATOM 2285 N CYS B 793 -14.020 21.909 19.693 1.00 22.83 N ATOM 2286 CA CYS B 793 -14.636 20.758 20.367 1.00 23.01 C ATOM 2287 C CYS B 793 -14.917 19.652 19.386 1.00 22.72 C ATOM 2288 O CYS B 793 -14.864 18.459 19.762 1.00 18.46 O ATOM 2289 CB CYS B 793 -15.953 21.127 21.121 1.00 29.05 C ATOM 2290 SG CYS B 793 -17.192 21.826 20.021 1.00 30.48 S ATOM 0 H CYS B 793 -14.498 22.624 19.682 1.00 22.83 H new ATOM 0 HA CYS B 793 -13.993 20.458 21.028 1.00 23.01 H new ATOM 0 HB2 CYS B 793 -16.313 20.334 21.548 1.00 29.05 H new ATOM 0 HB3 CYS B 793 -15.753 21.763 21.826 1.00 29.05 H new ATOM 0 HG CYS B 793 -16.929 22.976 19.800 1.00 30.48 H new ATOM 2291 N PHE B 794 -15.164 20.042 18.118 1.00 17.05 N ATOM 2292 CA PHE B 794 -15.438 19.104 17.075 1.00 17.67 C ATOM 2293 C PHE B 794 -14.223 18.239 16.724 1.00 18.67 C ATOM 2294 O PHE B 794 -14.381 17.158 16.158 1.00 20.92 O ATOM 2295 CB PHE B 794 -15.911 19.859 15.817 1.00 19.94 C ATOM 2296 CG PHE B 794 -17.269 20.578 15.989 1.00 19.24 C ATOM 2297 CD1 PHE B 794 -18.406 19.851 16.243 1.00 19.94 C ATOM 2298 CD2 PHE B 794 -17.361 21.970 15.931 1.00 21.54 C ATOM 2299 CE1 PHE B 794 -19.664 20.480 16.401 1.00 19.66 C ATOM 2300 CE2 PHE B 794 -18.593 22.608 16.087 1.00 22.02 C ATOM 2301 CZ PHE B 794 -19.734 21.854 16.334 1.00 20.93 C ATOM 0 H PHE B 794 -15.172 20.864 17.864 1.00 17.05 H new ATOM 0 HA PHE B 794 -16.132 18.508 17.398 1.00 17.67 H new ATOM 0 HB2 PHE B 794 -15.238 20.513 15.571 1.00 19.94 H new ATOM 0 HB3 PHE B 794 -15.979 19.231 15.081 1.00 19.94 H new ATOM 0 HD1 PHE B 794 -18.348 18.925 16.313 1.00 19.94 H new ATOM 0 HD2 PHE B 794 -16.595 22.477 15.787 1.00 21.54 H new ATOM 0 HE1 PHE B 794 -20.430 19.974 16.548 1.00 19.66 H new ATOM 0 HE2 PHE B 794 -18.650 23.534 16.026 1.00 22.02 H new ATOM 0 HZ PHE B 794 -20.551 22.281 16.455 1.00 20.93 H new ATOM 2302 N PHE B 795 -13.032 18.747 17.000 1.00 19.39 N ATOM 2303 CA PHE B 795 -11.785 18.126 16.547 1.00 19.01 C ATOM 2304 C PHE B 795 -10.988 17.495 17.727 1.00 21.56 C ATOM 2305 O PHE B 795 -9.911 16.992 17.480 1.00 21.95 O ATOM 2306 CB PHE B 795 -10.968 19.192 15.869 1.00 21.28 C ATOM 2307 CG PHE B 795 -11.680 19.766 14.679 1.00 23.67 C ATOM 2308 CD1 PHE B 795 -11.784 18.995 13.503 1.00 22.56 C ATOM 2309 CD2 PHE B 795 -12.333 20.976 14.760 1.00 23.49 C ATOM 2310 CE1 PHE B 795 -12.535 19.467 12.415 1.00 23.33 C ATOM 2311 CE2 PHE B 795 -13.081 21.444 13.680 1.00 24.84 C ATOM 2312 CZ PHE B 795 -13.162 20.705 12.503 1.00 21.76 C ATOM 0 H PHE B 795 -12.918 19.466 17.458 1.00 19.39 H new ATOM 0 HA PHE B 795 -11.987 17.402 15.934 1.00 19.01 H new ATOM 0 HB2 PHE B 795 -10.772 19.901 16.502 1.00 21.28 H new ATOM 0 HB3 PHE B 795 -10.118 18.819 15.588 1.00 21.28 H new ATOM 0 HD1 PHE B 795 -11.354 18.172 13.448 1.00 22.56 H new ATOM 0 HD2 PHE B 795 -12.275 21.483 15.538 1.00 23.49 H new ATOM 0 HE1 PHE B 795 -12.613 18.956 11.642 1.00 23.33 H new ATOM 0 HE2 PHE B 795 -13.529 22.256 13.747 1.00 24.84 H new ATOM 0 HZ PHE B 795 -13.635 21.039 11.776 1.00 21.76 H new ATOM 2313 N ALA B 796 -11.471 17.636 18.964 1.00 20.09 N ATOM 2314 CA ALA B 796 -10.686 17.258 20.171 1.00 20.20 C ATOM 2315 C ALA B 796 -10.519 15.745 20.362 1.00 20.52 C ATOM 2316 O ALA B 796 -9.426 15.283 20.643 1.00 20.90 O ATOM 2317 CB ALA B 796 -11.279 17.896 21.421 1.00 20.44 C ATOM 0 H ALA B 796 -12.253 17.949 19.137 1.00 20.09 H new ATOM 0 HA ALA B 796 -9.792 17.605 20.023 1.00 20.20 H new ATOM 0 HB1 ALA B 796 -10.755 17.639 22.196 1.00 20.44 H new ATOM 0 HB2 ALA B 796 -11.266 18.862 21.329 1.00 20.44 H new ATOM 0 HB3 ALA B 796 -12.194 17.595 21.535 1.00 20.44 H new ATOM 2318 N SER B 797 -11.602 15.001 20.227 1.00 21.42 N ATOM 2319 CA SER B 797 -11.664 13.581 20.501 1.00 25.52 C ATOM 2320 C SER B 797 -11.662 12.760 19.226 1.00 26.55 C ATOM 2321 O SER B 797 -11.833 13.293 18.144 1.00 22.07 O ATOM 2322 CB SER B 797 -12.985 13.298 21.265 1.00 31.01 C ATOM 2323 OG SER B 797 -12.896 13.862 22.535 1.00 36.21 O ATOM 0 H SER B 797 -12.353 15.325 19.962 1.00 21.42 H new ATOM 0 HA SER B 797 -10.884 13.332 21.021 1.00 25.52 H new ATOM 0 HB2 SER B 797 -13.739 13.672 20.783 1.00 31.01 H new ATOM 0 HB3 SER B 797 -13.137 12.342 21.331 1.00 31.01 H new ATOM 0 HG SER B 797 -13.607 13.716 22.957 1.00 36.21 H new ATOM 2324 N GLU B 798 -11.470 11.457 19.384 1.00 27.53 N ATOM 2325 CA GLU B 798 -11.465 10.506 18.276 1.00 31.33 C ATOM 2326 C GLU B 798 -12.779 10.598 17.493 1.00 35.89 C ATOM 2327 O GLU B 798 -13.857 10.429 18.055 1.00 36.91 O ATOM 2328 CB GLU B 798 -11.291 9.101 18.783 1.00 32.78 C ATOM 2329 CG GLU B 798 -11.029 8.095 17.682 1.00 41.53 C ATOM 2330 CD GLU B 798 -10.602 6.743 18.212 1.00 45.11 C ATOM 2331 OE1 GLU B 798 -10.161 5.950 17.391 1.00 50.93 O ATOM 2332 OE2 GLU B 798 -10.718 6.464 19.426 1.00 48.42 O ATOM 0 H GLU B 798 -11.336 11.092 20.151 1.00 27.53 H new ATOM 0 HA GLU B 798 -10.722 10.728 17.693 1.00 31.33 H new ATOM 0 HB2 GLU B 798 -10.554 9.080 19.413 1.00 32.78 H new ATOM 0 HB3 GLU B 798 -12.088 8.838 19.270 1.00 32.78 H new ATOM 0 HG2 GLU B 798 -11.832 7.990 17.148 1.00 41.53 H new ATOM 0 HG3 GLU B 798 -10.340 8.439 17.093 1.00 41.53 H new ATOM 2333 N PRO B 799 -12.708 10.887 16.188 1.00 40.70 N ATOM 2334 CA PRO B 799 -13.990 11.027 15.504 1.00 44.64 C ATOM 2335 C PRO B 799 -14.623 9.667 15.271 1.00 44.71 C ATOM 2336 O PRO B 799 -13.927 8.651 15.179 1.00 37.66 O ATOM 2337 CB PRO B 799 -13.635 11.731 14.184 1.00 47.02 C ATOM 2338 CG PRO B 799 -12.189 11.518 14.000 1.00 43.80 C ATOM 2339 CD PRO B 799 -11.572 11.030 15.283 1.00 42.29 C ATOM 0 HA PRO B 799 -14.642 11.530 16.016 1.00 44.64 H new ATOM 0 HB2 PRO B 799 -14.140 11.360 13.444 1.00 47.02 H new ATOM 0 HB3 PRO B 799 -13.846 12.677 14.225 1.00 47.02 H new ATOM 0 HG2 PRO B 799 -12.037 10.871 13.293 1.00 43.80 H new ATOM 0 HG3 PRO B 799 -11.765 12.346 13.723 1.00 43.80 H new ATOM 0 HD2 PRO B 799 -11.110 10.187 15.157 1.00 42.29 H new ATOM 0 HD3 PRO B 799 -10.921 11.661 15.627 1.00 42.29 H new ATOM 2340 N TYR B 800 -15.946 9.680 15.243 1.00 53.54 N ATOM 2341 CA TYR B 800 -16.733 8.547 14.788 1.00 61.37 C ATOM 2342 C TYR B 800 -17.005 8.734 13.273 1.00 62.18 C ATOM 2343 O TYR B 800 -17.409 9.829 12.813 1.00 58.84 O ATOM 2344 CB TYR B 800 -18.036 8.493 15.568 1.00 67.41 C ATOM 2345 CG TYR B 800 -18.889 7.370 15.101 1.00 82.33 C ATOM 2346 CD1 TYR B 800 -18.466 6.057 15.275 1.00 89.33 C ATOM 2347 CD2 TYR B 800 -20.104 7.604 14.440 1.00 90.45 C ATOM 2348 CE1 TYR B 800 -19.230 5.001 14.833 1.00 95.03 C ATOM 2349 CE2 TYR B 800 -20.881 6.548 13.985 1.00 95.88 C ATOM 2350 CZ TYR B 800 -20.436 5.243 14.188 1.00 99.32 C ATOM 2351 OH TYR B 800 -21.187 4.180 13.759 1.00102.19 O ATOM 0 H TYR B 800 -16.418 10.355 15.491 1.00 53.54 H new ATOM 0 HA TYR B 800 -16.259 7.713 14.933 1.00 61.37 H new ATOM 0 HB2 TYR B 800 -17.847 8.389 16.514 1.00 67.41 H new ATOM 0 HB3 TYR B 800 -18.514 9.331 15.465 1.00 67.41 H new ATOM 0 HD1 TYR B 800 -17.654 5.890 15.697 1.00 89.33 H new ATOM 0 HD2 TYR B 800 -20.392 8.478 14.305 1.00 90.45 H new ATOM 0 HE1 TYR B 800 -18.939 4.128 14.966 1.00 95.03 H new ATOM 0 HE2 TYR B 800 -21.687 6.709 13.551 1.00 95.88 H new ATOM 0 HH TYR B 800 -21.887 4.462 13.389 1.00102.19 H new ATOM 2352 N TYR B 801 -16.770 7.683 12.496 1.00 56.41 N ATOM 2353 CA TYR B 801 -17.017 7.747 11.060 1.00 59.50 C ATOM 2354 C TYR B 801 -18.072 6.685 10.628 1.00 68.75 C ATOM 2355 O TYR B 801 -19.288 6.883 10.850 1.00 68.33 O ATOM 2356 CB TYR B 801 -15.694 7.623 10.300 1.00 49.55 C ATOM 2357 CG TYR B 801 -14.773 8.781 10.419 1.00 42.83 C ATOM 2358 CD1 TYR B 801 -15.223 10.090 10.238 1.00 37.70 C ATOM 2359 CD2 TYR B 801 -13.430 8.582 10.665 1.00 46.04 C ATOM 2360 CE1 TYR B 801 -14.366 11.169 10.316 1.00 37.34 C ATOM 2361 CE2 TYR B 801 -12.555 9.671 10.740 1.00 44.55 C ATOM 2362 CZ TYR B 801 -13.038 10.955 10.562 1.00 39.03 C ATOM 2363 OH TYR B 801 -12.193 12.026 10.641 1.00 41.27 O ATOM 0 H TYR B 801 -16.469 6.928 12.778 1.00 56.41 H new ATOM 0 HA TYR B 801 -17.398 8.610 10.834 1.00 59.50 H new ATOM 0 HB2 TYR B 801 -15.232 6.830 10.614 1.00 49.55 H new ATOM 0 HB3 TYR B 801 -15.891 7.483 9.361 1.00 49.55 H new ATOM 0 HD1 TYR B 801 -16.124 10.239 10.060 1.00 37.70 H new ATOM 0 HD2 TYR B 801 -13.104 7.719 10.782 1.00 46.04 H new ATOM 0 HE1 TYR B 801 -14.689 12.034 10.202 1.00 37.34 H new ATOM 0 HE2 TYR B 801 -11.651 9.532 10.909 1.00 44.55 H new ATOM 0 HH TYR B 801 -12.498 12.659 10.181 1.00 41.27 H new ATOM 2364 N ASN B 802 -17.589 5.581 10.038 1.00 75.28 N ATOM 2365 CA ASN B 802 -18.379 4.475 9.513 1.00 75.83 C ATOM 2366 C ASN B 802 -17.997 3.262 10.395 1.00 90.33 C ATOM 2367 O ASN B 802 -17.112 2.485 10.011 1.00106.36 O ATOM 2368 CB ASN B 802 -18.000 4.181 8.017 1.00 67.79 C ATOM 2369 CG ASN B 802 -17.934 5.442 7.105 1.00 51.42 C ATOM 2370 OD1 ASN B 802 -18.944 6.062 6.835 1.00 41.33 O ATOM 2371 ND2 ASN B 802 -16.748 5.764 6.577 1.00 48.11 N ATOM 0 H ASN B 802 -16.744 5.459 9.932 1.00 75.28 H new ATOM 0 HA ASN B 802 -19.329 4.670 9.533 1.00 75.83 H new ATOM 0 HB2 ASN B 802 -17.139 3.735 7.995 1.00 67.79 H new ATOM 0 HB3 ASN B 802 -18.649 3.562 7.647 1.00 67.79 H new ATOM 0 HD21 ASN B 802 -16.686 6.425 6.031 1.00 48.11 H new ATOM 0 HD22 ASN B 802 -16.048 5.310 6.784 1.00 48.11 H new ATOM 2372 N ARG B 803 -18.606 3.115 11.579 1.00104.20 N ATOM 2373 CA ARG B 803 -18.197 2.042 12.525 1.00111.97 C ATOM 2374 C ARG B 803 -18.475 0.644 11.966 1.00110.09 C ATOM 2375 O ARG B 803 -19.617 0.360 11.612 1.00102.03 O ATOM 2376 CB ARG B 803 -18.906 2.138 13.873 1.00114.91 C ATOM 0 H ARG B 803 -19.249 3.614 11.858 1.00104.20 H new ATOM 0 HA ARG B 803 -17.244 2.175 12.647 1.00111.97 H new ATOM 2377 N GLU B 804 -17.467 -0.228 11.863 1.00119.88 N ATOM 2378 CA GLU B 804 -16.036 0.083 12.062 1.00118.49 C ATOM 2379 C GLU B 804 -15.216 -0.588 10.950 1.00122.72 C ATOM 2380 O GLU B 804 -14.903 0.072 9.951 1.00128.63 O ATOM 2381 CB GLU B 804 -15.560 -0.315 13.471 1.00110.19 C ATOM 0 H GLU B 804 -17.600 -1.055 11.667 1.00119.88 H new ATOM 0 HA GLU B 804 -15.903 1.042 12.002 1.00118.49 H new ATOM 2382 N GLY B 805 -14.900 -1.882 11.096 1.00122.39 N ATOM 2383 CA GLY B 805 -14.033 -2.591 10.147 1.00119.46 C ATOM 2384 C GLY B 805 -12.769 -1.795 9.846 1.00124.25 C ATOM 2385 O GLY B 805 -12.145 -1.255 10.768 1.00132.65 O ATOM 0 H GLY B 805 -15.182 -2.370 11.746 1.00122.39 H new ATOM 0 HA2 GLY B 805 -13.793 -3.457 10.511 1.00119.46 H new ATOM 0 HA3 GLY B 805 -14.518 -2.754 9.323 1.00119.46 H new ATOM 2386 N SER B 806 -12.408 -1.711 8.562 1.00120.50 N ATOM 2387 CA SER B 806 -11.329 -0.826 8.085 1.00112.35 C ATOM 2388 C SER B 806 -11.848 0.484 7.411 1.00104.90 C ATOM 2389 O SER B 806 -11.038 1.253 6.872 1.00109.04 O ATOM 2390 CB SER B 806 -10.384 -1.598 7.135 1.00105.35 C ATOM 0 H SER B 806 -12.783 -2.167 7.937 1.00120.50 H new ATOM 0 HA SER B 806 -10.836 -0.542 8.871 1.00112.35 H new ATOM 2391 N GLN B 807 -13.158 0.779 7.497 1.00 87.93 N ATOM 2392 CA GLN B 807 -13.765 1.937 6.781 1.00 77.99 C ATOM 2393 C GLN B 807 -13.398 3.347 7.343 1.00 65.41 C ATOM 2394 O GLN B 807 -14.026 4.361 6.971 1.00 50.22 O ATOM 2395 CB GLN B 807 -15.299 1.769 6.682 1.00 73.90 C ATOM 0 H GLN B 807 -13.718 0.323 7.964 1.00 87.93 H new ATOM 0 HA GLN B 807 -13.367 1.917 5.897 1.00 77.99 H new ATOM 2396 N GLY B 808 -12.417 3.406 8.253 1.00 56.40 N ATOM 2397 CA GLY B 808 -11.751 4.658 8.620 1.00 54.70 C ATOM 2398 C GLY B 808 -10.746 5.202 7.589 1.00 48.22 C ATOM 2399 O GLY B 808 -10.325 4.505 6.629 1.00 45.94 O ATOM 0 H GLY B 808 -12.120 2.717 8.674 1.00 56.40 H new ATOM 0 HA2 GLY B 808 -12.430 5.334 8.774 1.00 54.70 H new ATOM 0 HA3 GLY B 808 -11.287 4.525 9.461 1.00 54.70 H new ATOM 2400 N PRO B 809 -10.341 6.472 7.777 1.00 41.68 N ATOM 2401 CA PRO B 809 -9.416 7.101 6.826 1.00 42.01 C ATOM 2402 C PRO B 809 -8.012 6.504 6.908 1.00 41.75 C ATOM 2403 O PRO B 809 -7.723 5.715 7.834 1.00 44.61 O ATOM 2404 CB PRO B 809 -9.372 8.571 7.302 1.00 38.20 C ATOM 2405 CG PRO B 809 -9.545 8.444 8.782 1.00 40.21 C ATOM 2406 CD PRO B 809 -10.558 7.325 8.964 1.00 43.28 C ATOM 0 HA PRO B 809 -9.705 6.981 5.908 1.00 42.01 H new ATOM 0 HB2 PRO B 809 -8.532 8.999 7.073 1.00 38.20 H new ATOM 0 HB3 PRO B 809 -10.079 9.101 6.901 1.00 38.20 H new ATOM 0 HG2 PRO B 809 -8.705 8.231 9.217 1.00 40.21 H new ATOM 0 HG3 PRO B 809 -9.864 9.273 9.171 1.00 40.21 H new ATOM 0 HD2 PRO B 809 -10.407 6.836 9.788 1.00 43.28 H new ATOM 0 HD3 PRO B 809 -11.465 7.666 8.999 1.00 43.28 H new ATOM 2407 N GLN B 810 -7.129 6.956 6.025 1.00 43.02 N ATOM 2408 CA GLN B 810 -5.799 6.394 6.003 1.00 52.38 C ATOM 2409 C GLN B 810 -5.103 6.604 7.369 1.00 49.82 C ATOM 2410 O GLN B 810 -4.640 5.636 7.982 1.00 57.15 O ATOM 2411 CB GLN B 810 -5.000 6.947 4.848 1.00 60.79 C ATOM 2412 CG GLN B 810 -3.781 6.098 4.545 1.00 71.83 C ATOM 2413 CD GLN B 810 -2.661 6.935 3.981 1.00 80.15 C ATOM 2414 OE1 GLN B 810 -2.014 7.695 4.709 1.00 87.37 O ATOM 2415 NE2 GLN B 810 -2.438 6.823 2.679 1.00 82.47 N ATOM 0 H GLN B 810 -7.280 7.573 5.445 1.00 43.02 H new ATOM 0 HA GLN B 810 -5.861 5.437 5.860 1.00 52.38 H new ATOM 0 HB2 GLN B 810 -5.563 6.996 4.060 1.00 60.79 H new ATOM 0 HB3 GLN B 810 -4.720 7.853 5.053 1.00 60.79 H new ATOM 0 HG2 GLN B 810 -3.482 5.656 5.355 1.00 71.83 H new ATOM 0 HG3 GLN B 810 -4.018 5.401 3.913 1.00 71.83 H new ATOM 0 HE21 GLN B 810 -2.911 6.282 2.207 1.00 82.47 H new ATOM 0 HE22 GLN B 810 -1.820 7.291 2.307 1.00 82.47 H new ATOM 2416 N LYS B 811 -5.091 7.820 7.888 1.00 36.57 N ATOM 2417 CA LYS B 811 -4.598 8.017 9.257 1.00 34.97 C ATOM 2418 C LYS B 811 -5.545 8.943 10.049 1.00 31.82 C ATOM 2419 O LYS B 811 -5.614 10.138 9.737 1.00 26.08 O ATOM 2420 CB LYS B 811 -3.214 8.643 9.205 1.00 37.12 C ATOM 2421 CG LYS B 811 -2.585 8.868 10.578 1.00 38.27 C ATOM 2422 CD LYS B 811 -1.135 9.270 10.373 1.00 40.38 C ATOM 2423 CE LYS B 811 -0.496 9.591 11.684 1.00 41.94 C ATOM 2424 NZ LYS B 811 0.768 10.343 11.470 1.00 44.00 N ATOM 0 H LYS B 811 -5.354 8.532 7.484 1.00 36.57 H new ATOM 0 HA LYS B 811 -4.560 7.156 9.702 1.00 34.97 H new ATOM 0 HB2 LYS B 811 -2.630 8.073 8.681 1.00 37.12 H new ATOM 0 HB3 LYS B 811 -3.270 9.493 8.742 1.00 37.12 H new ATOM 0 HG2 LYS B 811 -3.063 9.560 11.060 1.00 38.27 H new ATOM 0 HG3 LYS B 811 -2.640 8.060 11.112 1.00 38.27 H new ATOM 0 HD2 LYS B 811 -0.652 8.550 9.938 1.00 40.38 H new ATOM 0 HD3 LYS B 811 -1.086 10.040 9.785 1.00 40.38 H new ATOM 0 HE2 LYS B 811 -1.104 10.116 12.228 1.00 41.94 H new ATOM 0 HE3 LYS B 811 -0.314 8.772 12.172 1.00 41.94 H new ATOM 0 HZ1 LYS B 811 1.413 9.989 11.971 1.00 44.00 H new ATOM 0 HZ2 LYS B 811 1.000 10.296 10.612 1.00 44.00 H new ATOM 0 HZ3 LYS B 811 0.649 11.195 11.699 1.00 44.00 H new ATOM 2425 N PRO B 812 -6.265 8.397 11.026 1.00 29.87 N ATOM 2426 CA PRO B 812 -7.171 9.238 11.780 1.00 33.37 C ATOM 2427 C PRO B 812 -6.358 10.141 12.740 1.00 32.78 C ATOM 2428 O PRO B 812 -5.255 9.790 13.140 1.00 26.06 O ATOM 2429 CB PRO B 812 -8.069 8.245 12.523 1.00 33.74 C ATOM 2430 CG PRO B 812 -7.374 6.946 12.446 1.00 33.60 C ATOM 2431 CD PRO B 812 -6.494 6.965 11.266 1.00 33.69 C ATOM 0 HA PRO B 812 -7.698 9.842 11.234 1.00 33.37 H new ATOM 0 HB2 PRO B 812 -8.200 8.516 13.445 1.00 33.74 H new ATOM 0 HB3 PRO B 812 -8.947 8.195 12.114 1.00 33.74 H new ATOM 0 HG2 PRO B 812 -6.856 6.791 13.252 1.00 33.60 H new ATOM 0 HG3 PRO B 812 -8.016 6.222 12.378 1.00 33.60 H new ATOM 0 HD2 PRO B 812 -5.663 6.494 11.434 1.00 33.69 H new ATOM 0 HD3 PRO B 812 -6.913 6.538 10.502 1.00 33.69 H new ATOM 2432 N MET B 813 -6.865 11.329 13.008 1.00 26.82 N ATOM 2433 CA MET B 813 -6.140 12.312 13.850 1.00 23.64 C ATOM 2434 C MET B 813 -7.113 13.233 14.572 1.00 24.38 C ATOM 2435 O MET B 813 -8.190 13.545 14.029 1.00 22.63 O ATOM 2436 CB MET B 813 -5.139 13.073 12.998 1.00 24.30 C ATOM 2437 CG MET B 813 -4.104 13.913 13.750 1.00 23.23 C ATOM 2438 SD MET B 813 -3.155 13.019 15.052 1.00 24.20 S ATOM 2439 CE MET B 813 -2.495 11.684 14.032 1.00 31.92 C ATOM 0 H MET B 813 -7.628 11.602 12.719 1.00 26.82 H new ATOM 0 HA MET B 813 -5.645 11.844 14.540 1.00 23.64 H new ATOM 0 HB2 MET B 813 -4.666 12.435 12.442 1.00 24.30 H new ATOM 0 HB3 MET B 813 -5.631 13.659 12.402 1.00 24.30 H new ATOM 0 HG2 MET B 813 -3.476 14.277 13.106 1.00 23.23 H new ATOM 0 HG3 MET B 813 -4.558 14.665 14.161 1.00 23.23 H new ATOM 0 HE1 MET B 813 -1.632 11.408 14.378 1.00 31.92 H new ATOM 0 HE2 MET B 813 -3.106 10.931 14.050 1.00 31.92 H new ATOM 0 HE3 MET B 813 -2.392 11.995 13.119 1.00 31.92 H new ATOM 2440 N TRP B 814 -6.809 13.576 15.848 1.00 20.66 N ATOM 2441 CA TRP B 814 -7.614 14.502 16.588 1.00 18.97 C ATOM 2442 C TRP B 814 -6.701 15.305 17.532 1.00 19.58 C ATOM 2443 O TRP B 814 -5.504 14.934 17.710 1.00 19.20 O ATOM 2444 CB TRP B 814 -8.756 13.775 17.319 1.00 20.99 C ATOM 2445 CG TRP B 814 -8.364 12.598 18.164 1.00 20.45 C ATOM 2446 CD1 TRP B 814 -8.189 12.631 19.476 1.00 22.57 C ATOM 2447 CD2 TRP B 814 -8.024 11.270 17.734 1.00 20.09 C ATOM 2448 NE1 TRP B 814 -7.753 11.401 19.943 1.00 23.45 N ATOM 2449 CE2 TRP B 814 -7.692 10.539 18.884 1.00 24.25 C ATOM 2450 CE3 TRP B 814 -8.004 10.619 16.491 1.00 22.69 C ATOM 2451 CZ2 TRP B 814 -7.336 9.181 18.850 1.00 24.46 C ATOM 2452 CZ3 TRP B 814 -7.662 9.252 16.437 1.00 23.59 C ATOM 2453 CH2 TRP B 814 -7.321 8.558 17.610 1.00 26.39 C ATOM 0 H TRP B 814 -6.133 13.268 16.281 1.00 20.66 H new ATOM 0 HA TRP B 814 -8.047 15.129 15.988 1.00 18.97 H new ATOM 0 HB2 TRP B 814 -9.212 14.417 17.885 1.00 20.99 H new ATOM 0 HB3 TRP B 814 -9.398 13.474 16.657 1.00 20.99 H new ATOM 0 HD1 TRP B 814 -8.338 13.377 20.011 1.00 22.57 H new ATOM 0 HE1 TRP B 814 -7.555 11.213 20.758 1.00 23.45 H new ATOM 0 HE3 TRP B 814 -8.214 11.083 15.713 1.00 22.69 H new ATOM 0 HZ2 TRP B 814 -7.119 8.718 19.627 1.00 24.46 H new ATOM 0 HZ3 TRP B 814 -7.662 8.807 15.620 1.00 23.59 H new ATOM 0 HH2 TRP B 814 -7.080 7.662 17.554 1.00 26.39 H new ATOM 2454 N LEU B 815 -7.199 16.413 18.049 1.00 15.29 N ATOM 2455 CA LEU B 815 -6.375 17.287 18.797 1.00 16.38 C ATOM 2456 C LEU B 815 -5.830 16.591 20.097 1.00 18.60 C ATOM 2457 O LEU B 815 -4.667 16.711 20.364 1.00 17.43 O ATOM 2458 CB LEU B 815 -7.075 18.539 19.154 1.00 17.04 C ATOM 2459 CG LEU B 815 -7.472 19.434 17.973 1.00 16.44 C ATOM 2460 CD1 LEU B 815 -8.340 20.557 18.557 1.00 17.45 C ATOM 2461 CD2 LEU B 815 -6.253 20.062 17.346 1.00 17.63 C ATOM 0 H LEU B 815 -8.018 16.664 17.969 1.00 15.29 H new ATOM 0 HA LEU B 815 -5.624 17.513 18.226 1.00 16.38 H new ATOM 0 HB2 LEU B 815 -7.876 18.313 19.652 1.00 17.04 H new ATOM 0 HB3 LEU B 815 -6.506 19.051 19.750 1.00 17.04 H new ATOM 0 HG LEU B 815 -7.934 18.914 17.297 1.00 16.44 H new ATOM 0 HD11 LEU B 815 -8.619 21.154 17.845 1.00 17.45 H new ATOM 0 HD12 LEU B 815 -9.123 20.173 18.982 1.00 17.45 H new ATOM 0 HD13 LEU B 815 -7.828 21.054 19.214 1.00 17.45 H new ATOM 0 HD21 LEU B 815 -6.524 20.623 16.603 1.00 17.63 H new ATOM 0 HD22 LEU B 815 -5.791 20.602 18.006 1.00 17.63 H new ATOM 0 HD23 LEU B 815 -5.659 19.366 17.025 1.00 17.63 H new ATOM 2462 N ASN B 816 -6.622 15.804 20.788 1.00 18.00 N ATOM 2463 CA ASN B 816 -6.089 15.187 21.998 1.00 19.60 C ATOM 2464 C ASN B 816 -4.938 14.208 21.706 1.00 19.99 C ATOM 2465 O ASN B 816 -4.121 14.009 22.592 1.00 18.86 O ATOM 2466 CB ASN B 816 -7.152 14.481 22.761 1.00 19.97 C ATOM 2467 CG ASN B 816 -8.171 15.407 23.412 1.00 20.38 C ATOM 2468 OD1 ASN B 816 -7.999 16.619 23.588 1.00 21.08 O ATOM 2469 ND2 ASN B 816 -9.282 14.794 23.795 1.00 18.35 N ATOM 0 H ASN B 816 -7.438 15.614 20.593 1.00 18.00 H new ATOM 0 HA ASN B 816 -5.737 15.915 22.533 1.00 19.60 H new ATOM 0 HB2 ASN B 816 -7.616 13.874 22.164 1.00 19.97 H new ATOM 0 HB3 ASN B 816 -6.736 13.939 23.449 1.00 19.97 H new ATOM 0 HD21 ASN B 816 -9.909 15.240 24.178 1.00 18.35 H new ATOM 0 HD22 ASN B 816 -9.376 13.950 23.660 1.00 18.35 H new ATOM 2470 N LYS B 817 -4.908 13.592 20.502 1.00 19.53 N ATOM 2471 CA LYS B 817 -3.875 12.711 20.113 1.00 21.80 C ATOM 2472 C LYS B 817 -2.603 13.505 19.785 1.00 20.96 C ATOM 2473 O LYS B 817 -1.459 13.051 20.060 1.00 18.74 O ATOM 2474 CB LYS B 817 -4.284 11.935 18.907 1.00 24.95 C ATOM 2475 CG LYS B 817 -3.291 10.893 18.515 1.00 28.48 C ATOM 2476 CD LYS B 817 -3.765 10.114 17.329 1.00 34.63 C ATOM 2477 CE LYS B 817 -2.753 9.008 17.088 1.00 46.84 C ATOM 2478 NZ LYS B 817 -2.921 8.425 15.731 1.00 60.07 N ATOM 0 H LYS B 817 -5.515 13.700 19.902 1.00 19.53 H new ATOM 0 HA LYS B 817 -3.701 12.101 20.847 1.00 21.80 H new ATOM 0 HB2 LYS B 817 -5.139 11.511 19.077 1.00 24.95 H new ATOM 0 HB3 LYS B 817 -4.413 12.546 18.165 1.00 24.95 H new ATOM 0 HG2 LYS B 817 -2.441 11.313 18.311 1.00 28.48 H new ATOM 0 HG3 LYS B 817 -3.138 10.291 19.260 1.00 28.48 H new ATOM 0 HD2 LYS B 817 -4.646 9.743 17.493 1.00 34.63 H new ATOM 0 HD3 LYS B 817 -3.839 10.687 16.550 1.00 34.63 H new ATOM 0 HE2 LYS B 817 -1.854 9.360 17.184 1.00 46.84 H new ATOM 0 HE3 LYS B 817 -2.860 8.315 17.758 1.00 46.84 H new ATOM 0 HZ1 LYS B 817 -3.163 7.571 15.802 1.00 60.07 H new ATOM 0 HZ2 LYS B 817 -3.549 8.875 15.290 1.00 60.07 H new ATOM 0 HZ3 LYS B 817 -2.151 8.479 15.287 1.00 60.07 H new ATOM 2479 N VAL B 818 -2.763 14.670 19.155 1.00 18.63 N ATOM 2480 CA VAL B 818 -1.628 15.538 18.934 1.00 17.99 C ATOM 2481 C VAL B 818 -1.089 15.985 20.294 1.00 18.28 C ATOM 2482 O VAL B 818 0.173 16.136 20.466 1.00 16.99 O ATOM 2483 CB VAL B 818 -1.949 16.796 18.098 1.00 17.87 C ATOM 2484 CG1 VAL B 818 -0.782 17.752 18.036 1.00 19.23 C ATOM 2485 CG2 VAL B 818 -2.323 16.404 16.689 1.00 18.42 C ATOM 0 H VAL B 818 -3.513 14.966 18.855 1.00 18.63 H new ATOM 0 HA VAL B 818 -0.979 15.025 18.427 1.00 17.99 H new ATOM 0 HB VAL B 818 -2.691 17.242 18.536 1.00 17.87 H new ATOM 0 HG11 VAL B 818 -1.025 18.525 17.503 1.00 19.23 H new ATOM 0 HG12 VAL B 818 -0.550 18.038 18.933 1.00 19.23 H new ATOM 0 HG13 VAL B 818 -0.021 17.308 17.631 1.00 19.23 H new ATOM 0 HG21 VAL B 818 -2.522 17.201 16.173 1.00 18.42 H new ATOM 0 HG22 VAL B 818 -1.583 15.930 16.278 1.00 18.42 H new ATOM 0 HG23 VAL B 818 -3.104 15.829 16.709 1.00 18.42 H new ATOM 2486 N LYS B 819 -1.986 16.309 21.206 1.00 17.60 N ATOM 2487 CA LYS B 819 -1.530 16.766 22.560 1.00 18.89 C ATOM 2488 C LYS B 819 -0.662 15.675 23.264 1.00 17.25 C ATOM 2489 O LYS B 819 0.423 15.983 23.768 1.00 18.06 O ATOM 2490 CB LYS B 819 -2.687 17.117 23.424 1.00 20.11 C ATOM 2491 CG LYS B 819 -2.353 17.591 24.840 1.00 22.35 C ATOM 2492 CD LYS B 819 -3.598 17.841 25.664 1.00 25.70 C ATOM 2493 CE LYS B 819 -4.047 19.281 25.627 1.00 28.68 C ATOM 2494 NZ LYS B 819 -5.044 19.673 26.709 1.00 33.24 N ATOM 0 H LYS B 819 -2.838 16.282 21.093 1.00 17.60 H new ATOM 0 HA LYS B 819 -0.986 17.558 22.426 1.00 18.89 H new ATOM 0 HB2 LYS B 819 -3.198 17.813 22.982 1.00 20.11 H new ATOM 0 HB3 LYS B 819 -3.265 16.341 23.491 1.00 20.11 H new ATOM 0 HG2 LYS B 819 -1.803 16.925 25.281 1.00 22.35 H new ATOM 0 HG3 LYS B 819 -1.829 18.406 24.792 1.00 22.35 H new ATOM 0 HD2 LYS B 819 -4.315 17.275 25.338 1.00 25.70 H new ATOM 0 HD3 LYS B 819 -3.429 17.583 26.584 1.00 25.70 H new ATOM 0 HE2 LYS B 819 -3.266 19.851 25.704 1.00 28.68 H new ATOM 0 HE3 LYS B 819 -4.444 19.460 24.760 1.00 28.68 H new ATOM 0 HZ1 LYS B 819 -5.421 20.451 26.498 1.00 33.24 H new ATOM 0 HZ2 LYS B 819 -5.673 19.047 26.774 1.00 33.24 H new ATOM 0 HZ3 LYS B 819 -4.621 19.750 27.488 1.00 33.24 H new ATOM 2495 N THR B 820 -1.155 14.451 23.263 1.00 17.46 N ATOM 2496 CA THR B 820 -0.379 13.294 23.843 1.00 19.45 C ATOM 2497 C THR B 820 0.932 13.125 23.117 1.00 18.37 C ATOM 2498 O THR B 820 1.937 12.842 23.769 1.00 21.22 O ATOM 2499 CB THR B 820 -1.206 12.010 23.690 1.00 21.50 C ATOM 2500 OG1 THR B 820 -2.347 12.174 24.455 1.00 22.51 O ATOM 2501 CG2 THR B 820 -0.448 10.766 24.220 1.00 29.69 C ATOM 0 H THR B 820 -1.925 14.241 22.942 1.00 17.46 H new ATOM 0 HA THR B 820 -0.201 13.471 24.780 1.00 19.45 H new ATOM 0 HB THR B 820 -1.398 11.866 22.750 1.00 21.50 H new ATOM 0 HG1 THR B 820 -2.970 11.714 24.131 1.00 22.51 H new ATOM 0 HG21 THR B 820 -1.001 9.977 24.106 1.00 29.69 H new ATOM 0 HG22 THR B 820 0.378 10.655 23.724 1.00 29.69 H new ATOM 0 HG23 THR B 820 -0.246 10.886 25.161 1.00 29.69 H new ATOM 2502 N SER B 821 0.941 13.222 21.764 1.00 16.07 N ATOM 2503 CA SER B 821 2.123 13.081 21.012 1.00 17.32 C ATOM 2504 C SER B 821 3.212 14.086 21.326 1.00 19.79 C ATOM 2505 O SER B 821 4.417 13.716 21.467 1.00 18.03 O ATOM 2506 CB SER B 821 1.897 13.064 19.488 1.00 18.51 C ATOM 2507 OG SER B 821 1.127 11.934 19.114 1.00 19.32 O ATOM 0 H SER B 821 0.238 13.373 21.291 1.00 16.07 H new ATOM 0 HA SER B 821 2.433 12.208 21.299 1.00 17.32 H new ATOM 0 HB2 SER B 821 1.444 13.876 19.213 1.00 18.51 H new ATOM 0 HB3 SER B 821 2.751 13.047 19.029 1.00 18.51 H new ATOM 0 HG SER B 821 0.322 12.065 19.313 1.00 19.32 H new ATOM 2508 N LEU B 822 2.832 15.346 21.404 1.00 18.17 N ATOM 2509 CA LEU B 822 3.713 16.375 21.931 1.00 19.52 C ATOM 2510 C LEU B 822 4.220 16.151 23.321 1.00 20.00 C ATOM 2511 O LEU B 822 5.410 16.341 23.597 1.00 21.22 O ATOM 2512 CB LEU B 822 2.984 17.723 21.994 1.00 19.80 C ATOM 2513 CG LEU B 822 3.080 18.697 20.900 1.00 21.96 C ATOM 2514 CD1 LEU B 822 2.321 19.977 21.276 1.00 21.85 C ATOM 2515 CD2 LEU B 822 4.541 19.065 20.590 1.00 20.56 C ATOM 0 H LEU B 822 2.060 15.632 21.155 1.00 18.17 H new ATOM 0 HA LEU B 822 4.464 16.354 21.317 1.00 19.52 H new ATOM 0 HB2 LEU B 822 2.042 17.529 22.117 1.00 19.80 H new ATOM 0 HB3 LEU B 822 3.289 18.171 22.798 1.00 19.80 H new ATOM 0 HG LEU B 822 2.690 18.288 20.112 1.00 21.96 H new ATOM 0 HD11 LEU B 822 2.387 20.618 20.551 1.00 21.85 H new ATOM 0 HD12 LEU B 822 1.388 19.765 21.436 1.00 21.85 H new ATOM 0 HD13 LEU B 822 2.708 20.358 22.080 1.00 21.85 H new ATOM 0 HD21 LEU B 822 4.566 19.708 19.865 1.00 20.56 H new ATOM 0 HD22 LEU B 822 4.952 19.452 21.379 1.00 20.56 H new ATOM 0 HD23 LEU B 822 5.028 18.267 20.331 1.00 20.56 H new ATOM 2516 N ASN B 823 3.345 15.768 24.210 1.00 20.25 N ATOM 2517 CA ASN B 823 3.731 15.464 25.627 1.00 22.93 C ATOM 2518 C ASN B 823 4.739 14.296 25.682 1.00 24.17 C ATOM 2519 O ASN B 823 5.635 14.290 26.491 1.00 22.64 O ATOM 2520 CB ASN B 823 2.477 15.129 26.440 1.00 25.42 C ATOM 2521 CG ASN B 823 2.771 14.683 27.877 1.00 29.90 C ATOM 2522 OD1 ASN B 823 2.416 13.569 28.307 1.00 36.24 O ATOM 2523 ND2 ASN B 823 3.368 15.527 28.599 1.00 26.28 N ATOM 0 H ASN B 823 2.507 15.667 24.043 1.00 20.25 H new ATOM 0 HA ASN B 823 4.159 16.246 26.010 1.00 22.93 H new ATOM 0 HB2 ASN B 823 1.900 15.908 26.464 1.00 25.42 H new ATOM 0 HB3 ASN B 823 1.986 14.426 25.986 1.00 25.42 H new ATOM 0 HD21 ASN B 823 3.544 15.342 29.420 1.00 26.28 H new ATOM 0 HD22 ASN B 823 3.599 16.287 28.270 1.00 26.28 H new ATOM 2524 N GLU B 824 4.610 13.348 24.769 1.00 22.18 N ATOM 2525 CA GLU B 824 5.464 12.177 24.755 1.00 25.79 C ATOM 2526 C GLU B 824 6.717 12.407 23.960 1.00 25.28 C ATOM 2527 O GLU B 824 7.470 11.477 23.817 1.00 25.93 O ATOM 2528 CB GLU B 824 4.668 10.941 24.265 1.00 24.46 C ATOM 2529 CG GLU B 824 3.635 10.660 25.329 1.00 31.39 C ATOM 2530 CD GLU B 824 2.697 9.479 25.098 1.00 39.37 C ATOM 2531 OE1 GLU B 824 2.826 8.759 24.122 1.00 49.84 O ATOM 2532 OE2 GLU B 824 1.799 9.275 25.944 1.00 55.13 O ATOM 0 H GLU B 824 4.024 13.366 24.140 1.00 22.18 H new ATOM 0 HA GLU B 824 5.756 11.999 25.663 1.00 25.79 H new ATOM 0 HB2 GLU B 824 4.246 11.117 23.410 1.00 24.46 H new ATOM 0 HB3 GLU B 824 5.254 10.178 24.140 1.00 24.46 H new ATOM 0 HG2 GLU B 824 4.100 10.515 26.168 1.00 31.39 H new ATOM 0 HG3 GLU B 824 3.093 11.457 25.439 1.00 31.39 H new ATOM 2533 N GLN B 825 6.892 13.601 23.374 1.00 23.74 N ATOM 2534 CA GLN B 825 8.043 13.957 22.548 1.00 25.38 C ATOM 2535 C GLN B 825 8.163 13.111 21.296 1.00 27.15 C ATOM 2536 O GLN B 825 9.252 12.647 20.915 1.00 23.73 O ATOM 2537 CB GLN B 825 9.336 13.959 23.364 1.00 29.95 C ATOM 2538 CG GLN B 825 9.287 14.941 24.540 1.00 32.91 C ATOM 2539 CD GLN B 825 10.283 14.623 25.651 1.00 33.37 C ATOM 2540 OE1 GLN B 825 10.384 13.472 26.090 1.00 36.54 O ATOM 2541 NE2 GLN B 825 11.029 15.643 26.107 1.00 28.73 N ATOM 0 H GLN B 825 6.323 14.241 23.452 1.00 23.74 H new ATOM 0 HA GLN B 825 7.888 14.863 22.239 1.00 25.38 H new ATOM 0 HB2 GLN B 825 9.504 13.065 23.700 1.00 29.95 H new ATOM 0 HB3 GLN B 825 10.080 14.189 22.785 1.00 29.95 H new ATOM 0 HG2 GLN B 825 9.459 15.837 24.210 1.00 32.91 H new ATOM 0 HG3 GLN B 825 8.391 14.943 24.911 1.00 32.91 H new ATOM 0 HE21 GLN B 825 10.929 16.430 25.776 1.00 28.73 H new ATOM 0 HE22 GLN B 825 11.606 15.509 26.730 1.00 28.73 H new ATOM 2542 N MET B 826 7.022 12.842 20.669 1.00 24.06 N ATOM 2543 CA AMET B 826 6.996 11.994 19.463 0.59 23.86 C ATOM 2544 CA BMET B 826 6.993 11.989 19.474 0.41 24.41 C ATOM 2545 C MET B 826 7.390 12.745 18.227 1.00 23.95 C ATOM 2546 O MET B 826 7.639 12.142 17.201 1.00 29.34 O ATOM 2547 CB AMET B 826 5.622 11.374 19.264 0.59 23.94 C ATOM 2548 CB BMET B 826 5.624 11.326 19.325 0.41 25.03 C ATOM 2549 CG AMET B 826 5.164 10.482 20.397 0.59 27.10 C ATOM 2550 CG BMET B 826 5.303 10.439 20.515 0.41 28.09 C ATOM 2551 SD AMET B 826 6.199 9.001 20.622 0.59 32.56 S ATOM 2552 SD BMET B 826 3.767 9.494 20.526 0.41 32.89 S ATOM 2553 CE AMET B 826 5.817 8.082 19.120 0.59 31.55 C ATOM 2554 CE BMET B 826 3.589 8.958 18.835 0.41 30.71 C ATOM 0 H AMET B 826 6.253 13.135 20.918 0.59 24.06 H new ATOM 0 H BMET B 826 6.254 13.140 20.915 0.41 24.06 H new ATOM 0 HA AMET B 826 7.650 11.292 19.607 0.59 24.41 H new ATOM 0 HA BMET B 826 7.655 11.290 19.592 0.41 24.41 H new ATOM 0 HB2AMET B 826 4.973 12.085 19.145 0.59 25.03 H new ATOM 0 HB2BMET B 826 4.941 12.009 19.235 0.41 25.03 H new ATOM 0 HB3AMET B 826 5.629 10.857 18.443 0.59 25.03 H new ATOM 0 HB3BMET B 826 5.606 10.798 18.512 0.41 25.03 H new ATOM 0 HG2AMET B 826 5.161 10.994 21.221 0.59 28.09 H new ATOM 0 HG2BMET B 826 6.033 9.808 20.613 0.41 28.09 H new ATOM 0 HG3AMET B 826 4.249 10.206 20.232 0.59 28.09 H new ATOM 0 HG3BMET B 826 5.305 11.001 21.306 0.41 28.09 H new ATOM 0 HE1AMET B 826 6.146 7.173 19.204 0.59 30.71 H new ATOM 0 HE1BMET B 826 2.973 8.210 18.796 0.41 30.71 H new ATOM 0 HE2AMET B 826 4.857 8.067 18.985 0.59 30.71 H new ATOM 0 HE2BMET B 826 3.245 9.689 18.298 0.41 30.71 H new ATOM 0 HE3AMET B 826 6.243 8.511 18.361 0.59 30.71 H new ATOM 0 HE3BMET B 826 4.453 8.683 18.490 0.41 30.71 H new ATOM 2555 N TYR B 827 7.426 14.089 18.280 1.00 21.83 N ATOM 2556 CA TYR B 827 7.787 14.856 17.095 1.00 20.28 C ATOM 2557 C TYR B 827 9.260 15.235 17.185 1.00 21.17 C ATOM 2558 O TYR B 827 9.689 15.855 18.194 1.00 25.24 O ATOM 2559 CB TYR B 827 6.894 16.130 16.970 1.00 20.77 C ATOM 2560 CG TYR B 827 5.426 15.827 16.850 1.00 17.93 C ATOM 2561 CD1 TYR B 827 4.956 15.055 15.832 1.00 18.87 C ATOM 2562 CD2 TYR B 827 4.514 16.282 17.787 1.00 18.25 C ATOM 2563 CE1 TYR B 827 3.597 14.750 15.744 1.00 20.01 C ATOM 2564 CE2 TYR B 827 3.159 16.033 17.672 1.00 19.58 C ATOM 2565 CZ TYR B 827 2.707 15.278 16.618 1.00 18.28 C ATOM 2566 OH TYR B 827 1.387 14.911 16.541 1.00 21.37 O ATOM 0 H TYR B 827 7.248 14.557 18.979 1.00 21.83 H new ATOM 0 HA TYR B 827 7.640 14.317 16.302 1.00 20.28 H new ATOM 0 HB2 TYR B 827 7.038 16.694 17.746 1.00 20.77 H new ATOM 0 HB3 TYR B 827 7.176 16.639 16.194 1.00 20.77 H new ATOM 0 HD1 TYR B 827 5.545 14.728 15.190 1.00 18.87 H new ATOM 0 HD2 TYR B 827 4.822 16.770 18.516 1.00 18.25 H new ATOM 0 HE1 TYR B 827 3.298 14.176 15.076 1.00 20.01 H new ATOM 0 HE2 TYR B 827 2.562 16.372 18.300 1.00 19.58 H new ATOM 0 HH TYR B 827 1.271 14.419 15.870 1.00 21.37 H new ATOM 2567 N THR B 828 10.042 14.905 16.154 1.00 19.09 N ATOM 2568 CA THR B 828 11.490 15.383 16.127 1.00 20.43 C ATOM 2569 C THR B 828 11.712 16.705 15.473 1.00 19.65 C ATOM 2570 O THR B 828 12.674 17.429 15.787 1.00 18.28 O ATOM 2571 CB THR B 828 12.417 14.379 15.461 1.00 21.19 C ATOM 2572 OG1 THR B 828 11.916 14.003 14.187 1.00 23.69 O ATOM 2573 CG2 THR B 828 12.465 13.122 16.276 1.00 21.70 C ATOM 0 H THR B 828 9.797 14.431 15.480 1.00 19.09 H new ATOM 0 HA THR B 828 11.699 15.479 17.069 1.00 20.43 H new ATOM 0 HB THR B 828 13.290 14.795 15.382 1.00 21.19 H new ATOM 0 HG1 THR B 828 12.439 13.450 13.832 1.00 23.69 H new ATOM 0 HG21 THR B 828 13.057 12.482 15.850 1.00 21.70 H new ATOM 0 HG22 THR B 828 12.795 13.325 17.165 1.00 21.70 H new ATOM 0 HG23 THR B 828 11.574 12.744 16.341 1.00 21.70 H new ATOM 2574 N ARG B 829 10.805 17.039 14.562 1.00 21.15 N ATOM 2575 CA AARG B 829 10.824 18.285 13.825 0.49 20.71 C ATOM 2576 CA BARG B 829 10.834 18.314 13.879 0.51 21.30 C ATOM 2577 C ARG B 829 9.428 18.997 13.874 1.00 20.31 C ATOM 2578 O ARG B 829 8.429 18.355 14.015 1.00 17.48 O ATOM 2579 CB AARG B 829 11.222 17.963 12.367 0.49 23.23 C ATOM 2580 CB BARG B 829 11.353 18.089 12.447 0.51 25.21 C ATOM 2581 CG AARG B 829 12.720 17.601 12.180 0.49 22.83 C ATOM 2582 CG BARG B 829 12.878 17.810 12.348 0.51 25.17 C ATOM 2583 CD AARG B 829 13.066 17.103 10.773 0.49 23.97 C ATOM 2584 CD BARG B 829 13.302 17.465 10.923 0.51 28.19 C ATOM 2585 NE AARG B 829 14.483 16.680 10.756 0.49 26.22 N ATOM 2586 NE BARG B 829 14.624 16.809 10.917 0.51 30.83 N ATOM 2587 CZ AARG B 829 14.882 15.466 11.135 0.49 22.51 C ATOM 2588 CZ BARG B 829 15.803 17.403 10.797 0.51 27.31 C ATOM 2589 NH1AARG B 829 13.985 14.552 11.493 0.49 19.82 N ATOM 2590 NH1BARG B 829 16.901 16.657 10.848 0.51 27.33 N ATOM 2591 NH2AARG B 829 16.170 15.169 11.141 0.49 25.87 N ATOM 2592 NH2BARG B 829 15.908 18.712 10.620 0.51 27.93 N ATOM 0 H AARG B 829 10.145 16.529 14.353 0.49 21.15 H new ATOM 0 H BARG B 829 10.155 16.527 14.325 0.51 21.15 H new ATOM 0 HA AARG B 829 11.464 18.894 14.225 0.49 21.30 H new ATOM 0 HA BARG B 829 11.429 18.918 14.350 0.51 21.30 H new ATOM 0 HB2AARG B 829 10.679 17.224 12.050 0.49 25.21 H new ATOM 0 HB2BARG B 829 10.873 17.342 12.055 0.51 25.21 H new ATOM 0 HB3AARG B 829 11.013 18.728 11.809 0.49 25.21 H new ATOM 0 HB3BARG B 829 11.144 18.871 11.913 0.51 25.21 H new ATOM 0 HG2AARG B 829 13.260 18.382 12.379 0.49 25.17 H new ATOM 0 HG2BARG B 829 13.369 18.589 12.652 0.51 25.17 H new ATOM 0 HG3AARG B 829 12.962 16.917 12.824 0.49 25.17 H new ATOM 0 HG3BARG B 829 13.112 17.079 12.941 0.51 25.17 H new ATOM 0 HD2AARG B 829 12.491 16.362 10.528 0.49 28.19 H new ATOM 0 HD2BARG B 829 12.643 16.880 10.517 0.51 28.19 H new ATOM 0 HD3AARG B 829 12.917 17.806 10.121 0.49 28.19 H new ATOM 0 HD3BARG B 829 13.334 18.272 10.386 0.51 28.19 H new ATOM 0 HE AARG B 829 15.076 17.243 10.490 0.49 30.83 H new ATOM 0 HE BARG B 829 14.630 15.953 11.000 0.51 30.83 H new ATOM 0 HH11AARG B 829 13.147 14.744 11.480 0.49 27.33 H new ATOM 0 HH11BARG B 829 16.838 15.806 10.957 0.51 27.33 H new ATOM 0 HH12AARG B 829 14.243 13.769 11.737 0.49 27.33 H new ATOM 0 HH12BARG B 829 17.675 17.025 10.772 0.51 27.33 H new ATOM 0 HH21AARG B 829 16.748 15.758 10.901 0.49 27.93 H new ATOM 0 HH21BARG B 829 15.200 19.199 10.580 0.51 27.93 H new ATOM 0 HH22AARG B 829 16.430 14.386 11.385 0.49 27.93 H new ATOM 0 HH22BARG B 829 16.684 19.075 10.545 0.51 27.93 H new ATOM 2593 N VAL B 830 9.405 20.307 13.671 1.00 20.69 N ATOM 2594 CA VAL B 830 8.124 21.110 13.573 1.00 22.97 C ATOM 2595 C VAL B 830 7.196 20.484 12.525 1.00 22.91 C ATOM 2596 O VAL B 830 5.981 20.312 12.772 1.00 22.23 O ATOM 2597 CB VAL B 830 8.446 22.594 13.318 1.00 21.94 C ATOM 2598 CG1 VAL B 830 7.225 23.382 12.842 1.00 23.99 C ATOM 2599 CG2 VAL B 830 8.981 23.240 14.573 1.00 20.64 C ATOM 0 H VAL B 830 10.117 20.781 13.582 1.00 20.69 H new ATOM 0 HA VAL B 830 7.642 21.083 14.414 1.00 22.97 H new ATOM 0 HB VAL B 830 9.115 22.615 12.616 1.00 21.94 H new ATOM 0 HG11 VAL B 830 7.474 24.308 12.695 1.00 23.99 H new ATOM 0 HG12 VAL B 830 6.896 23.000 12.013 1.00 23.99 H new ATOM 0 HG13 VAL B 830 6.529 23.338 13.516 1.00 23.99 H new ATOM 0 HG21 VAL B 830 9.179 24.173 14.398 1.00 20.64 H new ATOM 0 HG22 VAL B 830 8.317 23.178 15.278 1.00 20.64 H new ATOM 0 HG23 VAL B 830 9.791 22.785 14.851 1.00 20.64 H new ATOM 2600 N GLU B 831 7.790 20.099 11.389 1.00 22.87 N ATOM 2601 CA GLU B 831 7.122 19.316 10.344 1.00 27.40 C ATOM 2602 C GLU B 831 6.156 18.244 10.826 1.00 24.83 C ATOM 2603 O GLU B 831 5.034 18.174 10.307 1.00 24.10 O ATOM 2604 CB GLU B 831 8.165 18.670 9.431 1.00 34.95 C ATOM 2605 CG GLU B 831 7.652 17.888 8.230 1.00 45.80 C ATOM 2606 CD GLU B 831 8.768 17.112 7.536 1.00 52.41 C ATOM 2607 OE1 GLU B 831 9.379 16.234 8.194 1.00 58.07 O ATOM 2608 OE2 GLU B 831 9.041 17.409 6.355 1.00 49.47 O ATOM 0 H GLU B 831 8.607 20.290 11.202 1.00 22.87 H new ATOM 0 HA GLU B 831 6.574 19.963 9.873 1.00 27.40 H new ATOM 0 HB2 GLU B 831 8.753 19.369 9.105 1.00 34.95 H new ATOM 0 HB3 GLU B 831 8.706 18.072 9.970 1.00 34.95 H new ATOM 0 HG2 GLU B 831 6.961 17.271 8.518 1.00 45.80 H new ATOM 0 HG3 GLU B 831 7.242 18.499 7.598 1.00 45.80 H new ATOM 2609 N GLY B 832 6.561 17.372 11.778 1.00 21.58 N ATOM 2610 CA GLY B 832 5.682 16.290 12.210 1.00 19.15 C ATOM 2611 C GLY B 832 4.411 16.795 12.885 1.00 19.52 C ATOM 2612 O GLY B 832 3.357 16.226 12.728 1.00 18.73 O ATOM 0 H GLY B 832 7.326 17.398 12.171 1.00 21.58 H new ATOM 0 HA2 GLY B 832 5.442 15.748 11.442 1.00 19.15 H new ATOM 0 HA3 GLY B 832 6.163 15.714 12.825 1.00 19.15 H new ATOM 2613 N PHE B 833 4.567 17.837 13.739 1.00 19.87 N ATOM 2614 CA PHE B 833 3.476 18.437 14.448 1.00 20.93 C ATOM 2615 C PHE B 833 2.527 19.065 13.410 1.00 19.14 C ATOM 2616 O PHE B 833 1.325 18.821 13.447 1.00 21.12 O ATOM 2617 CB PHE B 833 3.984 19.457 15.485 1.00 20.21 C ATOM 2618 CG PHE B 833 2.948 20.351 16.013 1.00 21.02 C ATOM 2619 CD1 PHE B 833 2.091 19.941 17.000 1.00 21.40 C ATOM 2620 CD2 PHE B 833 2.843 21.649 15.527 1.00 23.92 C ATOM 2621 CE1 PHE B 833 1.083 20.786 17.513 1.00 24.18 C ATOM 2622 CE2 PHE B 833 1.890 22.522 16.045 1.00 24.01 C ATOM 2623 CZ PHE B 833 0.990 22.087 17.041 1.00 23.78 C ATOM 0 H PHE B 833 5.329 18.199 13.906 1.00 19.87 H new ATOM 0 HA PHE B 833 2.989 17.770 14.956 1.00 20.93 H new ATOM 0 HB2 PHE B 833 4.388 18.976 16.224 1.00 20.21 H new ATOM 0 HB3 PHE B 833 4.683 19.994 15.079 1.00 20.21 H new ATOM 0 HD1 PHE B 833 2.176 19.080 17.342 1.00 21.40 H new ATOM 0 HD2 PHE B 833 3.413 21.936 14.851 1.00 23.92 H new ATOM 0 HE1 PHE B 833 0.490 20.475 18.158 1.00 24.18 H new ATOM 0 HE2 PHE B 833 1.846 23.397 15.733 1.00 24.01 H new ATOM 0 HZ PHE B 833 0.343 22.665 17.376 1.00 23.78 H new ATOM 2624 N VAL B 834 3.047 19.877 12.539 1.00 19.65 N ATOM 2625 CA VAL B 834 2.174 20.612 11.589 1.00 20.74 C ATOM 2626 C VAL B 834 1.467 19.602 10.670 1.00 23.49 C ATOM 2627 O VAL B 834 0.268 19.767 10.305 1.00 21.55 O ATOM 2628 CB VAL B 834 2.971 21.613 10.791 1.00 22.01 C ATOM 2629 CG1 VAL B 834 2.177 22.241 9.617 1.00 25.36 C ATOM 2630 CG2 VAL B 834 3.500 22.724 11.720 1.00 21.55 C ATOM 0 H VAL B 834 3.888 20.035 12.458 1.00 19.65 H new ATOM 0 HA VAL B 834 1.505 21.109 12.085 1.00 20.74 H new ATOM 0 HB VAL B 834 3.709 21.124 10.395 1.00 22.01 H new ATOM 0 HG11 VAL B 834 2.742 22.873 9.145 1.00 25.36 H new ATOM 0 HG12 VAL B 834 1.895 21.542 9.006 1.00 25.36 H new ATOM 0 HG13 VAL B 834 1.397 22.702 9.963 1.00 25.36 H new ATOM 0 HG21 VAL B 834 4.011 23.364 11.201 1.00 21.55 H new ATOM 0 HG22 VAL B 834 2.753 23.175 12.143 1.00 21.55 H new ATOM 0 HG23 VAL B 834 4.069 22.333 12.401 1.00 21.55 H new ATOM 2631 N GLN B 835 2.154 18.531 10.322 1.00 22.15 N ATOM 2632 CA GLN B 835 1.507 17.520 9.477 1.00 24.91 C ATOM 2633 C GLN B 835 0.325 16.864 10.108 1.00 23.16 C ATOM 2634 O GLN B 835 -0.655 16.647 9.433 1.00 21.63 O ATOM 2635 CB GLN B 835 2.467 16.457 8.988 1.00 30.29 C ATOM 2636 CG GLN B 835 3.387 17.023 7.956 1.00 36.87 C ATOM 2637 CD GLN B 835 4.484 16.071 7.533 1.00 44.21 C ATOM 2638 OE1 GLN B 835 4.701 14.989 8.122 1.00 47.86 O ATOM 2639 NE2 GLN B 835 5.175 16.464 6.465 1.00 50.79 N ATOM 0 H GLN B 835 2.967 18.364 10.549 1.00 22.15 H new ATOM 0 HA GLN B 835 1.189 18.031 8.716 1.00 24.91 H new ATOM 0 HB2 GLN B 835 2.982 16.110 9.733 1.00 30.29 H new ATOM 0 HB3 GLN B 835 1.971 15.712 8.614 1.00 30.29 H new ATOM 0 HG2 GLN B 835 2.869 17.275 7.175 1.00 36.87 H new ATOM 0 HG3 GLN B 835 3.790 17.834 8.303 1.00 36.87 H new ATOM 0 HE21 GLN B 835 4.994 17.216 6.089 1.00 50.79 H new ATOM 0 HE22 GLN B 835 5.802 15.966 6.151 1.00 50.79 H new ATOM 2640 N ASP B 836 0.389 16.550 11.405 1.00 20.22 N ATOM 2641 CA ASP B 836 -0.723 15.945 12.084 1.00 18.48 C ATOM 2642 C ASP B 836 -1.883 16.984 12.263 1.00 18.14 C ATOM 2643 O ASP B 836 -3.050 16.624 12.188 1.00 17.81 O ATOM 2644 CB ASP B 836 -0.294 15.403 13.451 1.00 19.47 C ATOM 2645 CG ASP B 836 0.337 14.019 13.378 1.00 22.46 C ATOM 2646 OD1 ASP B 836 0.348 13.368 12.315 1.00 23.74 O ATOM 2647 OD2 ASP B 836 0.760 13.565 14.454 1.00 20.45 O ATOM 0 H ASP B 836 1.079 16.686 11.900 1.00 20.22 H new ATOM 0 HA ASP B 836 -1.041 15.205 11.543 1.00 18.48 H new ATOM 0 HB2 ASP B 836 0.338 16.019 13.853 1.00 19.47 H new ATOM 0 HB3 ASP B 836 -1.067 15.369 14.036 1.00 19.47 H new ATOM 2648 N MET B 837 -1.571 18.213 12.622 1.00 16.46 N ATOM 2649 CA MET B 837 -2.585 19.249 12.695 1.00 18.22 C ATOM 2650 C MET B 837 -3.332 19.412 11.346 1.00 20.50 C ATOM 2651 O MET B 837 -4.601 19.426 11.318 1.00 22.82 O ATOM 2652 CB MET B 837 -1.936 20.557 13.078 1.00 18.23 C ATOM 2653 CG MET B 837 -1.452 20.622 14.560 1.00 20.04 C ATOM 2654 SD MET B 837 -2.701 20.253 15.774 1.00 20.58 S ATOM 2655 CE MET B 837 -3.389 21.969 15.719 1.00 21.76 C ATOM 0 H MET B 837 -0.777 18.471 12.828 1.00 16.46 H new ATOM 0 HA MET B 837 -3.236 18.990 13.366 1.00 18.22 H new ATOM 0 HB2 MET B 837 -1.178 20.713 12.494 1.00 18.23 H new ATOM 0 HB3 MET B 837 -2.567 21.277 12.923 1.00 18.23 H new ATOM 0 HG2 MET B 837 -0.716 20.001 14.674 1.00 20.04 H new ATOM 0 HG3 MET B 837 -1.103 21.510 14.734 1.00 20.04 H new ATOM 0 HE1 MET B 837 -4.135 22.039 16.335 1.00 21.76 H new ATOM 0 HE2 MET B 837 -2.700 22.602 15.974 1.00 21.76 H new ATOM 0 HE3 MET B 837 -3.693 22.167 14.820 1.00 21.76 H new ATOM 2656 N ARG B 838 -2.574 19.546 10.258 1.00 19.21 N ATOM 2657 CA ARG B 838 -3.190 19.661 8.905 1.00 23.22 C ATOM 2658 C ARG B 838 -3.979 18.462 8.484 1.00 24.73 C ATOM 2659 O ARG B 838 -5.013 18.605 7.803 1.00 24.19 O ATOM 2660 CB ARG B 838 -2.181 20.045 7.851 1.00 25.87 C ATOM 2661 CG ARG B 838 -1.655 21.449 8.064 1.00 25.89 C ATOM 2662 CD ARG B 838 -0.556 21.782 7.057 1.00 26.95 C ATOM 2663 NE ARG B 838 -0.269 23.210 7.050 1.00 25.29 N ATOM 2664 CZ ARG B 838 0.865 23.766 6.644 1.00 26.48 C ATOM 2665 NH1 ARG B 838 1.901 23.030 6.211 1.00 30.97 N ATOM 2666 NH2 ARG B 838 1.002 25.054 6.743 1.00 27.37 N ATOM 0 H ARG B 838 -1.714 19.574 10.266 1.00 19.21 H new ATOM 0 HA ARG B 838 -3.832 20.384 8.989 1.00 23.22 H new ATOM 0 HB2 ARG B 838 -1.442 19.417 7.866 1.00 25.87 H new ATOM 0 HB3 ARG B 838 -2.589 19.982 6.973 1.00 25.87 H new ATOM 0 HG2 ARG B 838 -2.381 22.086 7.978 1.00 25.89 H new ATOM 0 HG3 ARG B 838 -1.308 21.535 8.966 1.00 25.89 H new ATOM 0 HD2 ARG B 838 0.249 21.288 7.277 1.00 26.95 H new ATOM 0 HD3 ARG B 838 -0.829 21.499 6.170 1.00 26.95 H new ATOM 0 HE ARG B 838 -0.887 23.737 7.333 1.00 25.29 H new ATOM 0 HH11 ARG B 838 1.841 22.172 6.191 1.00 30.97 H new ATOM 0 HH12 ARG B 838 2.625 23.416 5.953 1.00 30.97 H new ATOM 0 HH21 ARG B 838 0.364 25.531 7.067 1.00 27.37 H new ATOM 0 HH22 ARG B 838 1.731 25.430 6.484 1.00 27.37 H new ATOM 2667 N LEU B 839 -3.566 17.276 8.931 1.00 23.77 N ATOM 2668 CA LEU B 839 -4.326 16.075 8.649 1.00 23.53 C ATOM 2669 C LEU B 839 -5.725 16.073 9.266 1.00 24.06 C ATOM 2670 O LEU B 839 -6.636 15.451 8.699 1.00 20.55 O ATOM 2671 CB LEU B 839 -3.584 14.850 9.118 1.00 23.80 C ATOM 2672 CG LEU B 839 -4.157 13.443 9.044 1.00 26.30 C ATOM 2673 CD1 LEU B 839 -4.456 12.971 7.638 1.00 26.79 C ATOM 2674 CD2 LEU B 839 -3.098 12.516 9.670 1.00 30.79 C ATOM 0 H LEU B 839 -2.853 17.152 9.395 1.00 23.77 H new ATOM 0 HA LEU B 839 -4.434 16.059 7.685 1.00 23.53 H new ATOM 0 HB2 LEU B 839 -2.749 14.831 8.625 1.00 23.80 H new ATOM 0 HB3 LEU B 839 -3.361 15.006 10.049 1.00 23.80 H new ATOM 0 HG LEU B 839 -5.008 13.432 9.510 1.00 26.30 H new ATOM 0 HD11 LEU B 839 -4.816 12.071 7.668 1.00 26.79 H new ATOM 0 HD12 LEU B 839 -5.104 13.565 7.228 1.00 26.79 H new ATOM 0 HD13 LEU B 839 -3.639 12.974 7.115 1.00 26.79 H new ATOM 0 HD21 LEU B 839 -3.416 11.600 9.648 1.00 30.79 H new ATOM 0 HD22 LEU B 839 -2.271 12.583 9.167 1.00 30.79 H new ATOM 0 HD23 LEU B 839 -2.939 12.780 10.590 1.00 30.79 H new ATOM 2675 N ILE B 840 -5.877 16.655 10.471 1.00 18.56 N ATOM 2676 CA ILE B 840 -7.180 16.667 11.163 1.00 20.98 C ATOM 2677 C ILE B 840 -8.229 17.349 10.256 1.00 20.67 C ATOM 2678 O ILE B 840 -9.375 16.891 10.122 1.00 21.79 O ATOM 2679 CB ILE B 840 -7.080 17.467 12.487 1.00 19.45 C ATOM 2680 CG1 ILE B 840 -6.322 16.648 13.551 1.00 18.13 C ATOM 2681 CG2 ILE B 840 -8.426 17.932 12.979 1.00 20.63 C ATOM 2682 CD1 ILE B 840 -5.878 17.501 14.741 1.00 17.70 C ATOM 0 H ILE B 840 -5.242 17.045 10.900 1.00 18.56 H new ATOM 0 HA ILE B 840 -7.439 15.753 11.357 1.00 20.98 H new ATOM 0 HB ILE B 840 -6.571 18.273 12.310 1.00 19.45 H new ATOM 0 HG12 ILE B 840 -6.891 15.929 13.867 1.00 18.13 H new ATOM 0 HG13 ILE B 840 -5.544 16.236 13.144 1.00 18.13 H new ATOM 0 HG21 ILE B 840 -8.315 18.426 13.806 1.00 20.63 H new ATOM 0 HG22 ILE B 840 -8.834 18.506 12.312 1.00 20.63 H new ATOM 0 HG23 ILE B 840 -8.997 17.163 13.136 1.00 20.63 H new ATOM 0 HD11 ILE B 840 -5.407 16.944 15.381 1.00 17.70 H new ATOM 0 HD12 ILE B 840 -5.288 18.206 14.432 1.00 17.70 H new ATOM 0 HD13 ILE B 840 -6.656 17.894 15.166 1.00 17.70 H new ATOM 2683 N PHE B 841 -7.824 18.452 9.671 1.00 19.53 N ATOM 2684 CA PHE B 841 -8.755 19.257 8.836 1.00 21.76 C ATOM 2685 C PHE B 841 -8.944 18.652 7.453 1.00 24.10 C ATOM 2686 O PHE B 841 -10.062 18.678 6.914 1.00 22.16 O ATOM 2687 CB PHE B 841 -8.267 20.696 8.781 1.00 22.38 C ATOM 2688 CG PHE B 841 -7.990 21.239 10.172 1.00 24.26 C ATOM 2689 CD1 PHE B 841 -9.027 21.307 11.105 1.00 23.75 C ATOM 2690 CD2 PHE B 841 -6.718 21.616 10.545 1.00 23.65 C ATOM 2691 CE1 PHE B 841 -8.787 21.709 12.398 1.00 25.33 C ATOM 2692 CE2 PHE B 841 -6.481 22.074 11.836 1.00 25.25 C ATOM 2693 CZ PHE B 841 -7.523 22.120 12.756 1.00 25.35 C ATOM 0 H PHE B 841 -7.026 18.768 9.730 1.00 19.53 H new ATOM 0 HA PHE B 841 -9.634 19.249 9.246 1.00 21.76 H new ATOM 0 HB2 PHE B 841 -7.460 20.746 8.246 1.00 22.38 H new ATOM 0 HB3 PHE B 841 -8.933 21.249 8.342 1.00 22.38 H new ATOM 0 HD1 PHE B 841 -9.891 21.077 10.849 1.00 23.75 H new ATOM 0 HD2 PHE B 841 -6.019 21.564 9.934 1.00 23.65 H new ATOM 0 HE1 PHE B 841 -9.473 21.703 13.026 1.00 25.33 H new ATOM 0 HE2 PHE B 841 -5.628 22.349 12.084 1.00 25.25 H new ATOM 0 HZ PHE B 841 -7.365 22.430 13.618 1.00 25.35 H new ATOM 2694 N HIS B 842 -7.916 17.965 6.960 1.00 23.49 N ATOM 2695 CA HIS B 842 -8.025 17.192 5.724 1.00 25.69 C ATOM 2696 C HIS B 842 -9.002 16.079 5.785 1.00 24.17 C ATOM 2697 O HIS B 842 -9.808 15.875 4.846 1.00 26.46 O ATOM 2698 CB HIS B 842 -6.658 16.656 5.295 1.00 29.91 C ATOM 2699 CG HIS B 842 -6.741 15.717 4.144 1.00 32.52 C ATOM 2700 ND1 HIS B 842 -6.647 16.152 2.840 1.00 32.08 N ATOM 2701 CD2 HIS B 842 -6.963 14.380 4.086 1.00 36.59 C ATOM 2702 CE1 HIS B 842 -6.798 15.128 2.026 1.00 35.10 C ATOM 2703 NE2 HIS B 842 -7.002 14.043 2.755 1.00 39.81 N ATOM 0 H HIS B 842 -7.140 17.933 7.330 1.00 23.49 H new ATOM 0 HA HIS B 842 -8.362 17.817 5.063 1.00 25.69 H new ATOM 0 HB2 HIS B 842 -6.083 17.401 5.058 1.00 29.91 H new ATOM 0 HB3 HIS B 842 -6.242 16.204 6.046 1.00 29.91 H new ATOM 0 HD2 HIS B 842 -7.068 13.803 4.808 1.00 36.59 H new ATOM 0 HE1 HIS B 842 -6.767 15.162 1.097 1.00 35.10 H new ATOM 0 HE2 HIS B 842 -7.137 13.252 2.445 1.00 39.81 H new ATOM 2704 N ASN B 843 -8.920 15.275 6.833 1.00 22.14 N ATOM 2705 CA ASN B 843 -9.852 14.222 7.067 1.00 22.91 C ATOM 2706 C ASN B 843 -11.320 14.725 7.226 1.00 24.35 C ATOM 2707 O ASN B 843 -12.286 14.048 6.812 1.00 24.72 O ATOM 2708 CB ASN B 843 -9.442 13.406 8.313 1.00 25.21 C ATOM 2709 CG ASN B 843 -8.177 12.541 8.070 1.00 27.12 C ATOM 2710 OD1 ASN B 843 -7.740 12.293 6.913 1.00 26.43 O ATOM 2711 ND2 ASN B 843 -7.605 12.086 9.132 1.00 25.64 N ATOM 0 H ASN B 843 -8.306 15.337 7.432 1.00 22.14 H new ATOM 0 HA ASN B 843 -9.829 13.658 6.279 1.00 22.91 H new ATOM 0 HB2 ASN B 843 -9.278 14.012 9.053 1.00 25.21 H new ATOM 0 HB3 ASN B 843 -10.178 12.831 8.575 1.00 25.21 H new ATOM 0 HD21 ASN B 843 -6.901 11.596 9.065 1.00 25.64 H new ATOM 0 HD22 ASN B 843 -7.927 12.273 9.907 1.00 25.64 H new ATOM 2712 N HIS B 844 -11.473 15.825 7.938 1.00 22.23 N ATOM 2713 CA HIS B 844 -12.806 16.443 8.130 1.00 22.88 C ATOM 2714 C HIS B 844 -13.470 16.771 6.754 1.00 23.33 C ATOM 2715 O HIS B 844 -14.608 16.404 6.523 1.00 21.92 O ATOM 2716 CB HIS B 844 -12.662 17.707 8.958 1.00 22.32 C ATOM 2717 CG HIS B 844 -13.964 18.362 9.226 1.00 21.69 C ATOM 2718 ND1 HIS B 844 -14.820 17.922 10.205 1.00 22.21 N ATOM 2719 CD2 HIS B 844 -14.585 19.375 8.592 1.00 22.07 C ATOM 2720 CE1 HIS B 844 -15.928 18.627 10.167 1.00 26.10 C ATOM 2721 NE2 HIS B 844 -15.816 19.514 9.187 1.00 25.71 N ATOM 0 H HIS B 844 -10.828 16.242 8.325 1.00 22.23 H new ATOM 0 HA HIS B 844 -13.378 15.814 8.597 1.00 22.88 H new ATOM 0 HB2 HIS B 844 -12.233 17.491 9.801 1.00 22.32 H new ATOM 0 HB3 HIS B 844 -12.080 18.329 8.494 1.00 22.32 H new ATOM 0 HD2 HIS B 844 -14.247 19.881 7.889 1.00 22.07 H new ATOM 0 HE1 HIS B 844 -16.662 18.523 10.729 1.00 26.10 H new ATOM 0 HE2 HIS B 844 -16.418 20.085 8.960 1.00 25.71 H new ATOM 2722 N LYS B 845 -12.736 17.460 5.913 1.00 23.98 N ATOM 2723 CA LYS B 845 -13.163 17.809 4.517 1.00 29.27 C ATOM 2724 C LYS B 845 -13.463 16.537 3.705 1.00 30.13 C ATOM 2725 O LYS B 845 -14.456 16.481 3.011 1.00 28.70 O ATOM 2726 CB LYS B 845 -12.087 18.638 3.859 1.00 35.39 C ATOM 2727 CG LYS B 845 -12.403 19.132 2.436 1.00 45.67 C ATOM 2728 CD LYS B 845 -11.254 19.841 1.696 1.00 53.14 C ATOM 2729 CE LYS B 845 -9.845 19.244 1.911 1.00 59.72 C ATOM 2730 NZ LYS B 845 -9.665 17.775 1.620 1.00 60.96 N ATOM 0 H LYS B 845 -11.955 17.758 6.114 1.00 23.98 H new ATOM 0 HA LYS B 845 -13.981 18.329 4.551 1.00 29.27 H new ATOM 0 HB2 LYS B 845 -11.908 19.409 4.419 1.00 35.39 H new ATOM 0 HB3 LYS B 845 -11.271 18.114 3.828 1.00 35.39 H new ATOM 0 HG2 LYS B 845 -12.686 18.372 1.904 1.00 45.67 H new ATOM 0 HG3 LYS B 845 -13.157 19.740 2.484 1.00 45.67 H new ATOM 0 HD2 LYS B 845 -11.449 19.831 0.746 1.00 53.14 H new ATOM 0 HD3 LYS B 845 -11.239 20.771 1.973 1.00 53.14 H new ATOM 0 HE2 LYS B 845 -9.222 19.739 1.356 1.00 59.72 H new ATOM 0 HE3 LYS B 845 -9.590 19.401 2.834 1.00 59.72 H new ATOM 0 HZ1 LYS B 845 -9.728 17.312 2.378 1.00 60.96 H new ATOM 0 HZ2 LYS B 845 -10.297 17.505 1.054 1.00 60.96 H new ATOM 0 HZ3 LYS B 845 -8.864 17.640 1.256 1.00 60.96 H new ATOM 2731 N GLU B 846 -12.664 15.474 3.829 1.00 30.94 N ATOM 2732 CA GLU B 846 -12.888 14.281 3.042 1.00 32.52 C ATOM 2733 C GLU B 846 -14.039 13.496 3.484 1.00 30.05 C ATOM 2734 O GLU B 846 -14.586 12.716 2.700 1.00 30.64 O ATOM 2735 CB GLU B 846 -11.652 13.322 2.967 1.00 34.30 C ATOM 2736 CG GLU B 846 -10.475 13.890 2.218 1.00 39.98 C ATOM 2737 CD GLU B 846 -10.748 14.125 0.729 1.00 45.87 C ATOM 2738 OE1 GLU B 846 -11.249 13.217 0.036 1.00 42.62 O ATOM 2739 OE2 GLU B 846 -10.477 15.243 0.255 1.00 50.12 O ATOM 0 H GLU B 846 -11.992 15.432 4.364 1.00 30.94 H new ATOM 0 HA GLU B 846 -13.061 14.641 2.158 1.00 32.52 H new ATOM 0 HB2 GLU B 846 -11.372 13.100 3.869 1.00 34.30 H new ATOM 0 HB3 GLU B 846 -11.924 12.493 2.542 1.00 34.30 H new ATOM 0 HG2 GLU B 846 -10.216 14.730 2.628 1.00 39.98 H new ATOM 0 HG3 GLU B 846 -9.722 13.286 2.309 1.00 39.98 H new ATOM 2740 N PHE B 847 -14.374 13.568 4.758 1.00 25.86 N ATOM 2741 CA PHE B 847 -15.542 12.865 5.234 1.00 25.90 C ATOM 2742 C PHE B 847 -16.866 13.608 4.958 1.00 23.42 C ATOM 2743 O PHE B 847 -17.881 12.974 4.676 1.00 22.30 O ATOM 2744 CB PHE B 847 -15.449 12.600 6.749 1.00 24.49 C ATOM 2745 CG PHE B 847 -16.548 11.742 7.270 1.00 22.93 C ATOM 2746 CD1 PHE B 847 -16.512 10.366 7.100 1.00 23.86 C ATOM 2747 CD2 PHE B 847 -17.582 12.298 7.985 1.00 24.78 C ATOM 2748 CE1 PHE B 847 -17.527 9.574 7.563 1.00 24.33 C ATOM 2749 CE2 PHE B 847 -18.579 11.507 8.509 1.00 26.22 C ATOM 2750 CZ PHE B 847 -18.556 10.144 8.287 1.00 29.13 C ATOM 0 H PHE B 847 -13.944 14.013 5.355 1.00 25.86 H new ATOM 0 HA PHE B 847 -15.554 12.032 4.737 1.00 25.90 H new ATOM 0 HB2 PHE B 847 -14.598 12.178 6.945 1.00 24.49 H new ATOM 0 HB3 PHE B 847 -15.459 13.448 7.220 1.00 24.49 H new ATOM 0 HD1 PHE B 847 -15.788 9.976 6.665 1.00 23.86 H new ATOM 0 HD2 PHE B 847 -17.608 13.218 8.116 1.00 24.78 H new ATOM 0 HE1 PHE B 847 -17.524 8.660 7.392 1.00 24.33 H new ATOM 0 HE2 PHE B 847 -19.264 11.888 9.010 1.00 26.22 H new ATOM 0 HZ PHE B 847 -19.236 9.608 8.626 1.00 29.13 H new ATOM 2751 N TYR B 848 -16.860 14.891 5.224 1.00 24.08 N ATOM 2752 CA TYR B 848 -18.131 15.677 5.212 1.00 25.64 C ATOM 2753 C TYR B 848 -18.423 16.170 3.780 1.00 29.03 C ATOM 2754 O TYR B 848 -19.567 16.406 3.479 1.00 30.58 O ATOM 2755 CB TYR B 848 -18.161 16.784 6.259 1.00 21.08 C ATOM 2756 CG TYR B 848 -18.408 16.205 7.652 1.00 21.05 C ATOM 2757 CD1 TYR B 848 -19.600 15.615 7.983 1.00 20.53 C ATOM 2758 CD2 TYR B 848 -17.399 16.137 8.581 1.00 21.95 C ATOM 2759 CE1 TYR B 848 -19.826 15.018 9.213 1.00 20.77 C ATOM 2760 CE2 TYR B 848 -17.591 15.556 9.831 1.00 21.14 C ATOM 2761 CZ TYR B 848 -18.816 15.009 10.162 1.00 22.08 C ATOM 2762 OH TYR B 848 -19.051 14.423 11.386 1.00 21.37 O ATOM 0 H TYR B 848 -16.155 15.345 5.415 1.00 24.08 H new ATOM 0 HA TYR B 848 -18.856 15.089 5.476 1.00 25.64 H new ATOM 0 HB2 TYR B 848 -17.320 17.267 6.249 1.00 21.08 H new ATOM 0 HB3 TYR B 848 -18.858 17.423 6.041 1.00 21.08 H new ATOM 0 HD1 TYR B 848 -20.286 15.615 7.355 1.00 20.53 H new ATOM 0 HD2 TYR B 848 -16.565 16.489 8.369 1.00 21.95 H new ATOM 0 HE1 TYR B 848 -20.649 14.627 9.400 1.00 20.77 H new ATOM 0 HE2 TYR B 848 -16.893 15.536 10.445 1.00 21.14 H new ATOM 0 HH TYR B 848 -19.608 13.800 11.296 1.00 21.37 H new ATOM 2763 N ARG B 849 -17.400 16.319 2.949 1.00 29.98 N ATOM 2764 CA ARG B 849 -17.526 16.559 1.483 1.00 33.11 C ATOM 2765 C ARG B 849 -18.449 17.759 1.211 1.00 37.87 C ATOM 2766 O ARG B 849 -18.092 18.892 1.567 1.00 36.77 O ATOM 2767 CB ARG B 849 -17.877 15.251 0.731 1.00 34.29 C ATOM 2768 CG ARG B 849 -16.923 14.080 1.136 1.00 36.87 C ATOM 2769 CD ARG B 849 -16.906 12.836 0.241 1.00 37.24 C ATOM 2770 NE ARG B 849 -16.198 13.108 -0.995 1.00 39.54 N ATOM 2771 CZ ARG B 849 -14.862 13.126 -1.171 1.00 44.09 C ATOM 2772 NH1 ARG B 849 -14.003 12.879 -0.171 1.00 38.29 N ATOM 2773 NH2 ARG B 849 -14.366 13.453 -2.365 1.00 41.75 N ATOM 0 H ARG B 849 -16.583 16.285 3.214 1.00 29.98 H new ATOM 0 HA ARG B 849 -16.668 16.819 1.112 1.00 33.11 H new ATOM 0 HB2 ARG B 849 -18.795 15.003 0.923 1.00 34.29 H new ATOM 0 HB3 ARG B 849 -17.818 15.401 -0.226 1.00 34.29 H new ATOM 0 HG2 ARG B 849 -16.020 14.431 1.177 1.00 36.87 H new ATOM 0 HG3 ARG B 849 -17.159 13.799 2.034 1.00 36.87 H new ATOM 0 HD2 ARG B 849 -16.480 12.100 0.709 1.00 37.24 H new ATOM 0 HD3 ARG B 849 -17.815 12.560 0.045 1.00 37.24 H new ATOM 0 HE ARG B 849 -16.680 13.275 -1.687 1.00 39.54 H new ATOM 0 HH11 ARG B 849 -14.299 12.701 0.616 1.00 38.29 H new ATOM 0 HH12 ARG B 849 -13.156 12.898 -0.317 1.00 38.29 H new ATOM 0 HH21 ARG B 849 -14.897 13.649 -3.012 1.00 41.75 H new ATOM 0 HH22 ARG B 849 -13.515 13.468 -2.488 1.00 41.75 H new ATOM 2774 N GLU B 850 -19.623 17.530 0.645 1.00 38.73 N ATOM 2775 CA AGLU B 850 -20.524 18.627 0.230 0.44 38.90 C ATOM 2776 CA BGLU B 850 -20.504 18.634 0.229 0.56 42.08 C ATOM 2777 C GLU B 850 -21.376 19.216 1.380 1.00 40.96 C ATOM 2778 O GLU B 850 -21.916 20.333 1.263 1.00 35.57 O ATOM 2779 CB AGLU B 850 -21.447 18.152 -0.918 0.44 40.26 C ATOM 2780 CB BGLU B 850 -21.356 18.205 -1.001 0.56 47.97 C ATOM 2781 CG AGLU B 850 -20.963 18.516 -2.311 0.44 39.00 C ATOM 2782 CG BGLU B 850 -22.499 17.215 -0.762 0.56 51.95 C ATOM 2783 CD AGLU B 850 -19.490 18.259 -2.536 0.44 41.15 C ATOM 2784 CD BGLU B 850 -22.067 15.753 -0.716 0.56 57.40 C ATOM 2785 OE1AGLU B 850 -18.726 19.254 -2.643 0.44 42.24 O ATOM 2786 OE1BGLU B 850 -22.572 14.962 -1.542 0.56 61.46 O ATOM 2787 OE2AGLU B 850 -19.097 17.067 -2.609 0.44 44.35 O ATOM 2788 OE2BGLU B 850 -21.240 15.391 0.152 0.56 55.96 O ATOM 0 H AGLU B 850 -19.930 16.743 0.486 0.44 38.73 H new ATOM 0 H BGLU B 850 -19.937 16.745 0.489 0.56 38.73 H new ATOM 0 HA AGLU B 850 -19.946 19.345 -0.073 0.44 42.08 H new ATOM 0 HA BGLU B 850 -19.929 19.370 -0.033 0.56 42.08 H new ATOM 0 HB2AGLU B 850 -21.542 17.188 -0.863 0.44 47.97 H new ATOM 0 HB2BGLU B 850 -21.733 19.006 -1.398 0.56 47.97 H new ATOM 0 HB3AGLU B 850 -22.330 18.532 -0.786 0.44 47.97 H new ATOM 0 HB3BGLU B 850 -20.757 17.817 -1.659 0.56 47.97 H new ATOM 0 HG2AGLU B 850 -21.473 18.011 -2.963 0.44 51.95 H new ATOM 0 HG2BGLU B 850 -22.936 17.438 0.075 0.56 51.95 H new ATOM 0 HG3AGLU B 850 -21.147 19.455 -2.472 0.44 51.95 H new ATOM 0 HG3BGLU B 850 -23.159 17.324 -1.465 0.56 51.95 H new ATOM 2789 N ASP B 851 -21.510 18.468 2.486 1.00 35.69 N ATOM 2790 CA ASP B 851 -22.231 18.935 3.624 1.00 36.79 C ATOM 2791 C ASP B 851 -21.618 20.212 4.138 1.00 33.77 C ATOM 2792 O ASP B 851 -20.390 20.407 4.137 1.00 33.23 O ATOM 2793 CB ASP B 851 -22.263 17.905 4.719 1.00 41.86 C ATOM 2794 CG ASP B 851 -23.290 18.226 5.826 1.00 38.45 C ATOM 2795 OD1 ASP B 851 -23.128 19.198 6.607 1.00 35.47 O ATOM 2796 OD2 ASP B 851 -24.224 17.424 5.937 1.00 38.77 O ATOM 0 H ASP B 851 -21.178 17.680 2.575 1.00 35.69 H new ATOM 0 HA ASP B 851 -23.145 19.104 3.346 1.00 36.79 H new ATOM 0 HB2 ASP B 851 -22.471 17.039 4.334 1.00 41.86 H new ATOM 0 HB3 ASP B 851 -21.380 17.835 5.115 1.00 41.86 H new ATOM 2797 N LYS B 852 -22.492 21.121 4.521 1.00 26.90 N ATOM 2798 CA LYS B 852 -22.043 22.421 5.007 1.00 30.32 C ATOM 2799 C LYS B 852 -21.162 22.378 6.257 1.00 25.35 C ATOM 2800 O LYS B 852 -20.446 23.355 6.573 1.00 26.36 O ATOM 2801 CB LYS B 852 -23.230 23.324 5.272 1.00 33.23 C ATOM 2802 CG LYS B 852 -24.182 22.783 6.320 1.00 38.60 C ATOM 2803 CD LYS B 852 -25.504 23.556 6.298 1.00 44.81 C ATOM 2804 CE LYS B 852 -26.239 23.412 7.627 1.00 43.22 C ATOM 2805 NZ LYS B 852 -27.604 23.980 7.617 1.00 41.90 N ATOM 0 H LYS B 852 -23.345 21.012 4.510 1.00 26.90 H new ATOM 0 HA LYS B 852 -21.485 22.771 4.294 1.00 30.32 H new ATOM 0 HB2 LYS B 852 -22.908 24.194 5.557 1.00 33.23 H new ATOM 0 HB3 LYS B 852 -23.716 23.459 4.443 1.00 33.23 H new ATOM 0 HG2 LYS B 852 -24.349 21.842 6.157 1.00 38.60 H new ATOM 0 HG3 LYS B 852 -23.776 22.851 7.199 1.00 38.60 H new ATOM 0 HD2 LYS B 852 -25.332 24.494 6.119 1.00 44.81 H new ATOM 0 HD3 LYS B 852 -26.064 23.227 5.577 1.00 44.81 H new ATOM 0 HE2 LYS B 852 -26.291 22.471 7.858 1.00 43.22 H new ATOM 0 HE3 LYS B 852 -25.721 23.847 8.322 1.00 43.22 H new ATOM 0 HZ1 LYS B 852 -27.979 23.866 8.416 1.00 41.90 H new ATOM 0 HZ2 LYS B 852 -27.563 24.849 7.431 1.00 41.90 H new ATOM 0 HZ3 LYS B 852 -28.093 23.567 6.998 1.00 41.90 H new ATOM 2806 N PHE B 853 -21.253 21.270 6.977 1.00 25.24 N ATOM 2807 CA PHE B 853 -20.446 21.078 8.205 1.00 25.87 C ATOM 2808 C PHE B 853 -18.934 21.078 7.895 1.00 25.65 C ATOM 2809 O PHE B 853 -18.135 21.298 8.794 1.00 23.68 O ATOM 2810 CB PHE B 853 -20.892 19.795 8.875 1.00 24.48 C ATOM 2811 CG PHE B 853 -20.328 19.588 10.263 1.00 24.44 C ATOM 2812 CD1 PHE B 853 -20.601 20.494 11.272 1.00 24.62 C ATOM 2813 CD2 PHE B 853 -19.534 18.473 10.549 1.00 22.15 C ATOM 2814 CE1 PHE B 853 -20.090 20.295 12.536 1.00 26.10 C ATOM 2815 CE2 PHE B 853 -19.055 18.261 11.826 1.00 23.49 C ATOM 2816 CZ PHE B 853 -19.302 19.192 12.807 1.00 25.33 C ATOM 0 H PHE B 853 -21.771 20.611 6.784 1.00 25.24 H new ATOM 0 HA PHE B 853 -20.591 21.820 8.812 1.00 25.87 H new ATOM 0 HB2 PHE B 853 -21.861 19.790 8.927 1.00 24.48 H new ATOM 0 HB3 PHE B 853 -20.634 19.045 8.317 1.00 24.48 H new ATOM 0 HD1 PHE B 853 -21.130 21.238 11.097 1.00 24.62 H new ATOM 0 HD2 PHE B 853 -19.327 17.869 9.873 1.00 22.15 H new ATOM 0 HE1 PHE B 853 -20.276 20.907 13.211 1.00 26.10 H new ATOM 0 HE2 PHE B 853 -18.568 17.493 12.022 1.00 23.49 H new ATOM 0 HZ PHE B 853 -18.938 19.079 13.655 1.00 25.33 H new ATOM 2817 N THR B 854 -18.561 20.898 6.620 1.00 26.83 N ATOM 2818 CA ATHR B 854 -17.151 21.038 6.136 0.45 27.80 C ATOM 2819 CA BTHR B 854 -17.147 21.033 6.165 0.55 27.78 C ATOM 2820 C THR B 854 -16.553 22.382 6.479 1.00 25.80 C ATOM 2821 O THR B 854 -15.324 22.512 6.648 1.00 22.13 O ATOM 2822 CB ATHR B 854 -17.017 20.849 4.584 0.45 28.86 C ATOM 2823 CB BTHR B 854 -17.020 20.841 4.629 0.55 27.85 C ATOM 2824 OG1ATHR B 854 -15.747 20.309 4.263 0.45 29.08 O ATOM 2825 OG1BTHR B 854 -18.043 21.627 3.984 0.55 35.38 O ATOM 2826 CG2ATHR B 854 -17.154 22.197 3.806 0.45 29.60 C ATOM 2827 CG2BTHR B 854 -17.206 19.420 4.256 0.55 23.84 C ATOM 0 H ATHR B 854 -19.116 20.689 5.997 0.45 26.83 H new ATOM 0 H BTHR B 854 -19.111 20.695 5.991 0.55 26.83 H new ATOM 0 HA ATHR B 854 -16.670 20.332 6.595 0.45 27.78 H new ATOM 0 HA BTHR B 854 -16.668 20.342 6.648 0.55 27.78 H new ATOM 0 HB ATHR B 854 -17.735 20.252 4.322 0.45 27.85 H new ATOM 0 HB BTHR B 854 -16.135 21.122 4.349 0.55 27.85 H new ATOM 0 HG1ATHR B 854 -15.686 20.211 3.431 0.45 35.38 H new ATOM 0 HG1BTHR B 854 -18.765 21.198 3.979 0.55 35.38 H new ATOM 0 HG21ATHR B 854 -17.065 22.032 2.854 0.45 23.84 H new ATOM 0 HG21BTHR B 854 -17.123 19.324 3.294 0.55 23.84 H new ATOM 0 HG22ATHR B 854 -18.023 22.588 3.986 0.45 23.84 H new ATOM 0 HG22BTHR B 854 -16.530 18.879 4.694 0.55 23.84 H new ATOM 0 HG23ATHR B 854 -16.459 22.809 4.094 0.45 23.84 H new ATOM 0 HG23BTHR B 854 -18.087 19.125 4.535 0.55 23.84 H new ATOM 2828 N ARG B 855 -17.406 23.419 6.508 1.00 21.82 N ATOM 2829 CA ARG B 855 -16.918 24.729 6.801 1.00 24.21 C ATOM 2830 C ARG B 855 -16.292 24.824 8.216 1.00 24.00 C ATOM 2831 O ARG B 855 -15.437 25.698 8.421 1.00 26.45 O ATOM 2832 CB ARG B 855 -18.031 25.749 6.607 1.00 28.07 C ATOM 2833 CG ARG B 855 -17.725 27.183 6.921 1.00 34.65 C ATOM 2834 CD ARG B 855 -18.947 28.041 6.487 1.00 41.68 C ATOM 2835 NE ARG B 855 -18.856 29.476 6.866 1.00 53.33 N ATOM 2836 CZ ARG B 855 -19.450 30.072 7.927 1.00 59.52 C ATOM 2837 NH1 ARG B 855 -20.229 29.412 8.818 1.00 52.27 N ATOM 2838 NH2 ARG B 855 -19.269 31.386 8.100 1.00 60.06 N ATOM 0 H ARG B 855 -18.252 23.366 6.361 1.00 21.82 H new ATOM 0 HA ARG B 855 -16.201 24.928 6.179 1.00 24.21 H new ATOM 0 HB2 ARG B 855 -18.322 25.701 5.683 1.00 28.07 H new ATOM 0 HB3 ARG B 855 -18.784 25.477 7.155 1.00 28.07 H new ATOM 0 HG2 ARG B 855 -17.553 27.293 7.869 1.00 34.65 H new ATOM 0 HG3 ARG B 855 -16.926 27.470 6.452 1.00 34.65 H new ATOM 0 HD2 ARG B 855 -19.047 27.978 5.524 1.00 41.68 H new ATOM 0 HD3 ARG B 855 -19.749 27.664 6.881 1.00 41.68 H new ATOM 0 HE ARG B 855 -18.377 29.979 6.359 1.00 53.33 H new ATOM 0 HH11 ARG B 855 -20.368 28.568 8.725 1.00 52.27 H new ATOM 0 HH12 ARG B 855 -20.584 29.837 9.476 1.00 52.27 H new ATOM 0 HH21 ARG B 855 -18.785 31.830 7.545 1.00 60.06 H new ATOM 0 HH22 ARG B 855 -19.636 31.787 8.767 1.00 60.06 H new ATOM 2839 N LEU B 856 -16.708 23.973 9.167 1.00 21.68 N ATOM 2840 CA LEU B 856 -16.090 24.011 10.517 1.00 26.82 C ATOM 2841 C LEU B 856 -14.558 23.727 10.422 1.00 25.22 C ATOM 2842 O LEU B 856 -13.779 24.409 11.081 1.00 26.01 O ATOM 2843 CB LEU B 856 -16.772 23.071 11.527 1.00 27.85 C ATOM 2844 CG LEU B 856 -18.004 23.580 12.291 1.00 32.71 C ATOM 2845 CD1 LEU B 856 -17.648 24.815 13.129 1.00 34.12 C ATOM 2846 CD2 LEU B 856 -19.108 23.945 11.345 1.00 34.27 C ATOM 0 H LEU B 856 -17.325 23.383 9.063 1.00 21.68 H new ATOM 0 HA LEU B 856 -16.224 24.908 10.861 1.00 26.82 H new ATOM 0 HB2 LEU B 856 -17.032 22.267 11.051 1.00 27.85 H new ATOM 0 HB3 LEU B 856 -16.106 22.810 12.182 1.00 27.85 H new ATOM 0 HG LEU B 856 -18.301 22.863 12.873 1.00 32.71 H new ATOM 0 HD11 LEU B 856 -18.436 25.122 13.604 1.00 34.12 H new ATOM 0 HD12 LEU B 856 -16.956 24.584 13.768 1.00 34.12 H new ATOM 0 HD13 LEU B 856 -17.327 25.520 12.546 1.00 34.12 H new ATOM 0 HD21 LEU B 856 -19.874 24.263 11.848 1.00 34.27 H new ATOM 0 HD22 LEU B 856 -18.803 24.644 10.745 1.00 34.27 H new ATOM 0 HD23 LEU B 856 -19.363 23.165 10.828 1.00 34.27 H new ATOM 2847 N GLY B 857 -14.180 22.848 9.498 1.00 24.62 N ATOM 2848 CA GLY B 857 -12.758 22.416 9.297 1.00 24.64 C ATOM 2849 C GLY B 857 -11.981 23.568 8.740 1.00 25.88 C ATOM 2850 O GLY B 857 -10.945 23.882 9.223 1.00 25.97 O ATOM 0 H GLY B 857 -14.732 22.472 8.957 1.00 24.62 H new ATOM 0 HA2 GLY B 857 -12.373 22.126 10.138 1.00 24.64 H new ATOM 0 HA3 GLY B 857 -12.719 21.660 8.691 1.00 24.64 H new ATOM 2851 N ILE B 858 -12.561 24.272 7.746 1.00 26.73 N ATOM 2852 CA ILE B 858 -11.959 25.410 7.160 1.00 25.62 C ATOM 2853 C ILE B 858 -11.753 26.494 8.205 1.00 25.59 C ATOM 2854 O ILE B 858 -10.705 27.157 8.235 1.00 25.18 O ATOM 2855 CB ILE B 858 -12.827 25.947 5.948 1.00 29.70 C ATOM 2856 CG1 ILE B 858 -12.866 24.913 4.832 1.00 33.95 C ATOM 2857 CG2 ILE B 858 -12.276 27.268 5.431 1.00 29.98 C ATOM 2858 CD1 ILE B 858 -14.131 24.946 4.005 1.00 38.31 C ATOM 0 H ILE B 858 -13.327 24.073 7.411 1.00 26.73 H new ATOM 0 HA ILE B 858 -11.091 25.153 6.811 1.00 25.62 H new ATOM 0 HB ILE B 858 -13.731 26.101 6.263 1.00 29.70 H new ATOM 0 HG12 ILE B 858 -12.105 25.053 4.247 1.00 33.95 H new ATOM 0 HG13 ILE B 858 -12.767 24.029 5.219 1.00 33.95 H new ATOM 0 HG21 ILE B 858 -12.821 27.579 4.691 1.00 29.98 H new ATOM 0 HG22 ILE B 858 -12.293 27.927 6.143 1.00 29.98 H new ATOM 0 HG23 ILE B 858 -11.363 27.142 5.129 1.00 29.98 H new ATOM 0 HD11 ILE B 858 -14.086 24.264 3.317 1.00 38.31 H new ATOM 0 HD12 ILE B 858 -14.896 24.778 4.577 1.00 38.31 H new ATOM 0 HD13 ILE B 858 -14.224 25.818 3.590 1.00 38.31 H new ATOM 2859 N GLN B 859 -12.770 26.722 9.030 1.00 24.66 N ATOM 2860 CA GLN B 859 -12.679 27.738 10.097 1.00 25.41 C ATOM 2861 C GLN B 859 -11.553 27.520 11.194 1.00 22.39 C ATOM 2862 O GLN B 859 -10.839 28.415 11.574 1.00 20.09 O ATOM 2863 CB GLN B 859 -14.032 27.835 10.749 1.00 29.05 C ATOM 2864 CG GLN B 859 -15.030 28.569 9.847 1.00 32.66 C ATOM 2865 CD GLN B 859 -16.395 28.690 10.453 1.00 32.92 C ATOM 2866 OE1 GLN B 859 -16.974 27.726 10.958 1.00 34.88 O ATOM 2867 NE2 GLN B 859 -16.919 29.894 10.419 1.00 34.65 N ATOM 0 H GLN B 859 -13.522 26.306 8.996 1.00 24.66 H new ATOM 0 HA GLN B 859 -12.407 28.562 9.662 1.00 25.41 H new ATOM 0 HB2 GLN B 859 -14.364 26.945 10.946 1.00 29.05 H new ATOM 0 HB3 GLN B 859 -13.953 28.302 11.596 1.00 29.05 H new ATOM 0 HG2 GLN B 859 -14.689 29.456 9.652 1.00 32.66 H new ATOM 0 HG3 GLN B 859 -15.099 28.099 9.001 1.00 32.66 H new ATOM 0 HE21 GLN B 859 -16.484 30.542 10.058 1.00 34.65 H new ATOM 0 HE22 GLN B 859 -17.697 30.034 10.758 1.00 34.65 H new ATOM 2868 N VAL B 860 -11.481 26.317 11.704 1.00 23.74 N ATOM 2869 CA VAL B 860 -10.490 25.976 12.722 1.00 23.77 C ATOM 2870 C VAL B 860 -9.110 25.900 12.025 1.00 21.76 C ATOM 2871 O VAL B 860 -8.143 26.354 12.592 1.00 20.58 O ATOM 2872 CB VAL B 860 -10.933 24.709 13.499 1.00 24.88 C ATOM 2873 CG1 VAL B 860 -9.939 24.285 14.566 1.00 25.16 C ATOM 2874 CG2 VAL B 860 -12.290 24.953 14.195 1.00 22.56 C ATOM 0 H VAL B 860 -11.998 25.668 11.479 1.00 23.74 H new ATOM 0 HA VAL B 860 -10.413 26.653 13.413 1.00 23.77 H new ATOM 0 HB VAL B 860 -10.995 24.003 12.837 1.00 24.88 H new ATOM 0 HG11 VAL B 860 -10.267 23.491 15.017 1.00 25.16 H new ATOM 0 HG12 VAL B 860 -9.083 24.091 14.153 1.00 25.16 H new ATOM 0 HG13 VAL B 860 -9.831 25.001 15.211 1.00 25.16 H new ATOM 0 HG21 VAL B 860 -12.555 24.154 14.677 1.00 22.56 H new ATOM 0 HG22 VAL B 860 -12.206 25.692 14.817 1.00 22.56 H new ATOM 0 HG23 VAL B 860 -12.962 25.166 13.529 1.00 22.56 H new ATOM 2875 N GLN B 861 -9.044 25.435 10.753 1.00 21.95 N ATOM 2876 CA GLN B 861 -7.753 25.395 10.059 1.00 25.24 C ATOM 2877 C GLN B 861 -7.218 26.807 9.889 1.00 23.06 C ATOM 2878 O GLN B 861 -6.010 27.086 10.080 1.00 20.84 O ATOM 2879 CB GLN B 861 -7.771 24.647 8.744 1.00 27.38 C ATOM 2880 CG GLN B 861 -6.339 24.585 8.236 1.00 31.20 C ATOM 2881 CD GLN B 861 -6.051 23.578 7.144 1.00 35.62 C ATOM 2882 OE1 GLN B 861 -6.928 22.876 6.640 1.00 36.52 O ATOM 2883 NE2 GLN B 861 -4.772 23.521 6.758 1.00 36.85 N ATOM 0 H GLN B 861 -9.715 25.150 10.297 1.00 21.95 H new ATOM 0 HA GLN B 861 -7.153 24.882 10.623 1.00 25.24 H new ATOM 0 HB2 GLN B 861 -8.130 23.754 8.864 1.00 27.38 H new ATOM 0 HB3 GLN B 861 -8.342 25.098 8.102 1.00 27.38 H new ATOM 0 HG2 GLN B 861 -6.095 25.465 7.909 1.00 31.20 H new ATOM 0 HG3 GLN B 861 -5.758 24.391 8.988 1.00 31.20 H new ATOM 0 HE21 GLN B 861 -4.187 24.027 7.133 1.00 36.85 H new ATOM 0 HE22 GLN B 861 -4.535 22.978 6.134 1.00 36.85 H new ATOM 2884 N ASP B 862 -8.120 27.770 9.652 1.00 24.44 N ATOM 2885 CA AASP B 862 -7.670 29.125 9.486 0.50 24.99 C ATOM 2886 CA BASP B 862 -7.686 29.137 9.504 0.50 25.10 C ATOM 2887 C ASP B 862 -7.149 29.719 10.805 1.00 24.61 C ATOM 2888 O ASP B 862 -6.204 30.543 10.811 1.00 25.08 O ATOM 2889 CB AASP B 862 -8.758 29.949 8.822 0.50 28.54 C ATOM 2890 CB BASP B 862 -8.803 30.010 8.997 0.50 29.15 C ATOM 2891 CG AASP B 862 -8.648 29.928 7.301 0.50 32.69 C ATOM 2892 CG BASP B 862 -8.335 31.413 8.757 0.50 32.52 C ATOM 2893 OD1AASP B 862 -8.679 28.835 6.653 0.50 30.03 O ATOM 2894 OD1BASP B 862 -7.234 31.553 8.189 0.50 37.30 O ATOM 2895 OD2AASP B 862 -8.495 31.045 6.767 0.50 39.92 O ATOM 2896 OD2BASP B 862 -9.034 32.361 9.159 0.50 38.88 O ATOM 0 H AASP B 862 -8.969 27.650 9.588 0.50 24.44 H new ATOM 0 H BASP B 862 -8.967 27.643 9.577 0.50 24.44 H new ATOM 0 HA AASP B 862 -6.904 29.140 8.892 0.50 25.10 H new ATOM 0 HA BASP B 862 -6.964 29.122 8.856 0.50 25.10 H new ATOM 0 HB2AASP B 862 -9.627 29.608 9.087 0.50 29.15 H new ATOM 0 HB2BASP B 862 -9.156 29.640 8.173 0.50 29.15 H new ATOM 0 HB3AASP B 862 -8.705 30.865 9.136 0.50 29.15 H new ATOM 0 HB3BASP B 862 -9.529 30.015 9.640 0.50 29.15 H new ATOM 2897 N ILE B 863 -7.711 29.293 11.932 1.00 21.76 N ATOM 2898 CA ILE B 863 -7.157 29.738 13.248 1.00 22.50 C ATOM 2899 C ILE B 863 -5.740 29.115 13.385 1.00 22.76 C ATOM 2900 O ILE B 863 -4.766 29.795 13.712 1.00 23.20 O ATOM 2901 CB ILE B 863 -8.078 29.247 14.376 1.00 24.41 C ATOM 2902 CG1 ILE B 863 -9.511 29.882 14.262 1.00 31.37 C ATOM 2903 CG2 ILE B 863 -7.468 29.396 15.751 1.00 23.32 C ATOM 2904 CD1 ILE B 863 -9.445 31.366 14.524 1.00 36.23 C ATOM 0 H ILE B 863 -8.389 28.766 11.977 1.00 21.76 H new ATOM 0 HA ILE B 863 -7.102 30.705 13.303 1.00 22.50 H new ATOM 0 HB ILE B 863 -8.184 28.290 14.256 1.00 24.41 H new ATOM 0 HG12 ILE B 863 -9.875 29.719 13.378 1.00 31.37 H new ATOM 0 HG13 ILE B 863 -10.110 29.461 14.898 1.00 31.37 H new ATOM 0 HG21 ILE B 863 -8.092 29.071 16.419 1.00 23.32 H new ATOM 0 HG22 ILE B 863 -6.647 28.881 15.799 1.00 23.32 H new ATOM 0 HG23 ILE B 863 -7.273 30.331 15.919 1.00 23.32 H new ATOM 0 HD11 ILE B 863 -10.334 31.748 14.451 1.00 36.23 H new ATOM 0 HD12 ILE B 863 -9.099 31.522 15.417 1.00 36.23 H new ATOM 0 HD13 ILE B 863 -8.860 31.784 13.873 1.00 36.23 H new ATOM 2905 N PHE B 864 -5.634 27.832 13.057 1.00 20.53 N ATOM 2906 CA PHE B 864 -4.276 27.165 13.155 1.00 21.92 C ATOM 2907 C PHE B 864 -3.247 27.882 12.287 1.00 22.14 C ATOM 2908 O PHE B 864 -2.236 28.303 12.758 1.00 25.41 O ATOM 2909 CB PHE B 864 -4.398 25.713 12.750 1.00 21.99 C ATOM 2910 CG PHE B 864 -3.061 25.049 12.580 1.00 24.51 C ATOM 2911 CD1 PHE B 864 -2.263 24.809 13.714 1.00 22.35 C ATOM 2912 CD2 PHE B 864 -2.555 24.771 11.305 1.00 22.52 C ATOM 2913 CE1 PHE B 864 -0.980 24.236 13.542 1.00 21.61 C ATOM 2914 CE2 PHE B 864 -1.314 24.181 11.151 1.00 26.02 C ATOM 2915 CZ PHE B 864 -0.529 23.911 12.273 1.00 21.47 C ATOM 0 H PHE B 864 -6.279 27.331 12.787 1.00 20.53 H new ATOM 0 HA PHE B 864 -3.969 27.216 14.074 1.00 21.92 H new ATOM 0 HB2 PHE B 864 -4.910 25.235 13.421 1.00 21.99 H new ATOM 0 HB3 PHE B 864 -4.894 25.653 11.918 1.00 21.99 H new ATOM 0 HD1 PHE B 864 -2.574 25.024 14.564 1.00 22.35 H new ATOM 0 HD2 PHE B 864 -3.059 24.985 10.553 1.00 22.52 H new ATOM 0 HE1 PHE B 864 -0.439 24.078 14.282 1.00 21.61 H new ATOM 0 HE2 PHE B 864 -1.003 23.965 10.302 1.00 26.02 H new ATOM 0 HZ PHE B 864 0.303 23.510 12.168 1.00 21.47 H new ATOM 2916 N GLU B 865 -3.576 28.111 11.004 1.00 23.86 N ATOM 2917 CA GLU B 865 -2.642 28.684 10.084 1.00 23.68 C ATOM 2918 C GLU B 865 -2.270 30.104 10.443 1.00 24.57 C ATOM 2919 O GLU B 865 -1.103 30.415 10.359 1.00 22.62 O ATOM 2920 CB GLU B 865 -3.119 28.592 8.593 1.00 24.50 C ATOM 2921 CG GLU B 865 -3.338 27.185 8.057 1.00 26.92 C ATOM 2922 CD GLU B 865 -2.075 26.302 7.891 1.00 29.67 C ATOM 2923 OE1 GLU B 865 -0.972 26.846 7.979 1.00 31.43 O ATOM 2924 OE2 GLU B 865 -2.204 25.076 7.597 1.00 27.35 O ATOM 0 H GLU B 865 -4.346 27.933 10.665 1.00 23.86 H new ATOM 0 HA GLU B 865 -1.841 28.143 10.163 1.00 23.68 H new ATOM 0 HB2 GLU B 865 -3.949 29.087 8.505 1.00 24.50 H new ATOM 0 HB3 GLU B 865 -2.463 29.036 8.033 1.00 24.50 H new ATOM 0 HG2 GLU B 865 -3.953 26.726 8.651 1.00 26.92 H new ATOM 0 HG3 GLU B 865 -3.776 27.254 7.194 1.00 26.92 H new ATOM 2925 N LYS B 866 -3.202 30.953 10.900 1.00 25.38 N ATOM 2926 CA LYS B 866 -2.817 32.337 11.295 1.00 28.78 C ATOM 2927 C LYS B 866 -1.939 32.337 12.523 1.00 25.35 C ATOM 2928 O LYS B 866 -1.016 33.140 12.637 1.00 26.68 O ATOM 2929 CB LYS B 866 -4.000 33.224 11.688 1.00 34.31 C ATOM 2930 CG LYS B 866 -4.891 33.638 10.557 1.00 45.39 C ATOM 2931 CD LYS B 866 -6.163 34.310 11.108 1.00 55.14 C ATOM 2932 CE LYS B 866 -6.790 35.278 10.110 1.00 55.41 C ATOM 2933 NZ LYS B 866 -7.479 34.546 9.018 1.00 50.89 N ATOM 0 H LYS B 866 -4.036 30.765 10.990 1.00 25.38 H new ATOM 0 HA LYS B 866 -2.374 32.680 10.503 1.00 28.78 H new ATOM 0 HB2 LYS B 866 -4.535 32.753 12.346 1.00 34.31 H new ATOM 0 HB3 LYS B 866 -3.658 34.022 12.120 1.00 34.31 H new ATOM 0 HG2 LYS B 866 -4.420 34.251 9.972 1.00 45.39 H new ATOM 0 HG3 LYS B 866 -5.130 32.864 10.024 1.00 45.39 H new ATOM 0 HD2 LYS B 866 -6.811 33.627 11.342 1.00 55.14 H new ATOM 0 HD3 LYS B 866 -5.946 34.787 11.924 1.00 55.14 H new ATOM 0 HE2 LYS B 866 -7.423 35.854 10.567 1.00 55.41 H new ATOM 0 HE3 LYS B 866 -6.103 35.852 9.736 1.00 55.41 H new ATOM 0 HZ1 LYS B 866 -8.002 35.108 8.567 1.00 50.89 H new ATOM 0 HZ2 LYS B 866 -6.874 34.197 8.466 1.00 50.89 H new ATOM 0 HZ3 LYS B 866 -7.975 33.893 9.365 1.00 50.89 H new ATOM 2934 N ASN B 867 -2.248 31.487 13.476 1.00 24.20 N ATOM 2935 CA ASN B 867 -1.342 31.412 14.663 1.00 25.94 C ATOM 2936 C ASN B 867 0.045 30.819 14.348 1.00 23.36 C ATOM 2937 O ASN B 867 1.033 31.272 14.910 1.00 27.80 O ATOM 2938 CB ASN B 867 -2.033 30.694 15.807 1.00 24.86 C ATOM 2939 CG ASN B 867 -3.058 31.575 16.483 1.00 26.15 C ATOM 2940 OD1 ASN B 867 -2.697 32.471 17.224 1.00 26.72 O ATOM 2941 ND2 ASN B 867 -4.333 31.320 16.220 1.00 27.21 N ATOM 0 H ASN B 867 -2.930 30.963 13.484 1.00 24.20 H new ATOM 0 HA ASN B 867 -1.160 32.324 14.939 1.00 25.94 H new ATOM 0 HB2 ASN B 867 -2.465 29.893 15.472 1.00 24.86 H new ATOM 0 HB3 ASN B 867 -1.372 30.409 16.457 1.00 24.86 H new ATOM 0 HD21 ASN B 867 -4.950 31.799 16.580 1.00 27.21 H new ATOM 0 HD22 ASN B 867 -4.542 30.676 15.690 1.00 27.21 H new ATOM 2942 N PHE B 868 0.114 29.878 13.407 1.00 23.95 N ATOM 2943 CA PHE B 868 1.401 29.291 12.941 1.00 23.57 C ATOM 2944 C PHE B 868 2.319 30.327 12.332 1.00 25.41 C ATOM 2945 O PHE B 868 3.452 30.421 12.704 1.00 22.72 O ATOM 2946 CB PHE B 868 1.110 28.166 11.935 1.00 25.15 C ATOM 2947 CG PHE B 868 2.332 27.549 11.293 1.00 27.77 C ATOM 2948 CD1 PHE B 868 3.326 26.946 12.067 1.00 25.57 C ATOM 2949 CD2 PHE B 868 2.472 27.522 9.894 1.00 29.08 C ATOM 2950 CE1 PHE B 868 4.463 26.389 11.470 1.00 28.11 C ATOM 2951 CE2 PHE B 868 3.607 26.969 9.308 1.00 32.92 C ATOM 2952 CZ PHE B 868 4.592 26.385 10.098 1.00 29.80 C ATOM 0 H PHE B 868 -0.578 29.553 13.013 1.00 23.95 H new ATOM 0 HA PHE B 868 1.864 28.931 13.713 1.00 23.57 H new ATOM 0 HB2 PHE B 868 0.612 27.467 12.387 1.00 25.15 H new ATOM 0 HB3 PHE B 868 0.536 28.517 11.236 1.00 25.15 H new ATOM 0 HD1 PHE B 868 3.231 26.914 12.992 1.00 25.57 H new ATOM 0 HD2 PHE B 868 1.801 27.876 9.356 1.00 29.08 H new ATOM 0 HE1 PHE B 868 5.133 26.021 12.000 1.00 28.11 H new ATOM 0 HE2 PHE B 868 3.707 26.990 8.384 1.00 32.92 H new ATOM 0 HZ PHE B 868 5.336 25.993 9.701 1.00 29.80 H new ATOM 2953 N ARG B 869 1.816 31.121 11.371 1.00 26.00 N ATOM 2954 CA ARG B 869 2.562 32.259 10.828 1.00 28.68 C ATOM 2955 C ARG B 869 2.960 33.306 11.872 1.00 28.62 C ATOM 2956 O ARG B 869 4.051 33.858 11.852 1.00 31.34 O ATOM 2957 CB ARG B 869 1.790 32.890 9.641 1.00 29.43 C ATOM 2958 CG ARG B 869 1.557 31.902 8.507 1.00 31.07 C ATOM 2959 CD ARG B 869 0.979 32.576 7.246 1.00 34.73 C ATOM 2960 NE ARG B 869 -0.257 33.315 7.509 1.00 35.87 N ATOM 2961 CZ ARG B 869 -1.488 32.827 7.365 1.00 40.10 C ATOM 2962 NH1 ARG B 869 -1.714 31.566 6.941 1.00 36.62 N ATOM 2963 NH2 ARG B 869 -2.522 33.614 7.629 1.00 40.87 N ATOM 0 H ARG B 869 1.038 31.012 11.021 1.00 26.00 H new ATOM 0 HA ARG B 869 3.405 31.905 10.505 1.00 28.68 H new ATOM 0 HB2 ARG B 869 0.935 33.224 9.956 1.00 29.43 H new ATOM 0 HB3 ARG B 869 2.286 33.653 9.305 1.00 29.43 H new ATOM 0 HG2 ARG B 869 2.395 31.468 8.283 1.00 31.07 H new ATOM 0 HG3 ARG B 869 0.949 31.208 8.807 1.00 31.07 H new ATOM 0 HD2 ARG B 869 1.640 33.182 6.877 1.00 34.73 H new ATOM 0 HD3 ARG B 869 0.808 31.899 6.573 1.00 34.73 H new ATOM 0 HE ARG B 869 -0.182 34.129 7.778 1.00 35.87 H new ATOM 0 HH11 ARG B 869 -1.052 31.050 6.754 1.00 36.62 H new ATOM 0 HH12 ARG B 869 -2.520 31.278 6.858 1.00 36.62 H new ATOM 0 HH21 ARG B 869 -2.391 34.424 7.888 1.00 40.87 H new ATOM 0 HH22 ARG B 869 -3.324 33.315 7.541 1.00 40.87 H new ATOM 2964 N ASN B 870 2.099 33.583 12.815 1.00 31.01 N ATOM 2965 CA ASN B 870 2.433 34.579 13.824 1.00 30.82 C ATOM 2966 C ASN B 870 3.486 34.075 14.778 1.00 28.85 C ATOM 2967 O ASN B 870 4.425 34.768 15.083 1.00 29.39 O ATOM 2968 CB ASN B 870 1.186 34.922 14.602 1.00 33.26 C ATOM 2969 CG ASN B 870 1.421 35.993 15.619 1.00 43.64 C ATOM 2970 OD1 ASN B 870 1.473 35.730 16.830 1.00 52.00 O ATOM 2971 ND2 ASN B 870 1.624 37.206 15.146 1.00 50.98 N ATOM 0 H ASN B 870 1.325 33.219 12.899 1.00 31.01 H new ATOM 0 HA ASN B 870 2.786 35.362 13.373 1.00 30.82 H new ATOM 0 HB2 ASN B 870 0.494 35.211 13.987 1.00 33.26 H new ATOM 0 HB3 ASN B 870 0.856 34.125 15.046 1.00 33.26 H new ATOM 0 HD21 ASN B 870 1.801 37.853 15.684 1.00 50.98 H new ATOM 0 HD22 ASN B 870 1.580 37.350 14.299 1.00 50.98 H new ATOM 2972 N ILE B 871 3.326 32.862 15.269 1.00 30.17 N ATOM 2973 CA ILE B 871 4.232 32.339 16.332 1.00 29.09 C ATOM 2974 C ILE B 871 5.631 32.106 15.760 1.00 26.03 C ATOM 2975 O ILE B 871 6.624 32.360 16.436 1.00 28.96 O ATOM 2976 CB ILE B 871 3.622 31.075 16.993 1.00 29.96 C ATOM 2977 CG1 ILE B 871 2.396 31.491 17.773 1.00 30.74 C ATOM 2978 CG2 ILE B 871 4.622 30.359 17.921 1.00 33.86 C ATOM 2979 CD1 ILE B 871 1.435 30.349 18.064 1.00 30.02 C ATOM 0 H ILE B 871 2.712 32.314 15.018 1.00 30.17 H new ATOM 0 HA ILE B 871 4.324 32.998 17.038 1.00 29.09 H new ATOM 0 HB ILE B 871 3.389 30.444 16.294 1.00 29.96 H new ATOM 0 HG12 ILE B 871 2.677 31.888 18.612 1.00 30.74 H new ATOM 0 HG13 ILE B 871 1.926 32.179 17.277 1.00 30.74 H new ATOM 0 HG21 ILE B 871 4.200 29.578 18.311 1.00 33.86 H new ATOM 0 HG22 ILE B 871 5.399 30.084 17.409 1.00 33.86 H new ATOM 0 HG23 ILE B 871 4.898 30.963 18.628 1.00 33.86 H new ATOM 0 HD11 ILE B 871 0.675 30.685 18.565 1.00 30.02 H new ATOM 0 HD12 ILE B 871 1.127 29.964 17.229 1.00 30.02 H new ATOM 0 HD13 ILE B 871 1.889 29.668 18.585 1.00 30.02 H new ATOM 2980 N PHE B 872 5.714 31.607 14.526 1.00 26.44 N ATOM 2981 CA PHE B 872 7.008 31.298 13.893 1.00 27.68 C ATOM 2982 C PHE B 872 7.492 32.403 12.935 1.00 31.08 C ATOM 2983 O PHE B 872 8.496 32.212 12.236 1.00 33.81 O ATOM 2984 CB PHE B 872 6.947 29.935 13.180 1.00 27.97 C ATOM 2985 CG PHE B 872 6.887 28.738 14.130 1.00 27.41 C ATOM 2986 CD1 PHE B 872 8.024 28.184 14.638 1.00 31.04 C ATOM 2987 CD2 PHE B 872 5.670 28.157 14.494 1.00 28.51 C ATOM 2988 CE1 PHE B 872 7.972 27.091 15.490 1.00 26.07 C ATOM 2989 CE2 PHE B 872 5.589 27.070 15.342 1.00 27.24 C ATOM 2990 CZ PHE B 872 6.755 26.518 15.837 1.00 29.48 C ATOM 0 H PHE B 872 5.030 31.438 14.032 1.00 26.44 H new ATOM 0 HA PHE B 872 7.664 31.253 14.606 1.00 27.68 H new ATOM 0 HB2 PHE B 872 6.168 29.917 12.602 1.00 27.97 H new ATOM 0 HB3 PHE B 872 7.726 29.844 12.609 1.00 27.97 H new ATOM 0 HD1 PHE B 872 8.850 28.546 14.409 1.00 31.04 H new ATOM 0 HD2 PHE B 872 4.883 28.516 14.152 1.00 28.51 H new ATOM 0 HE1 PHE B 872 8.761 26.738 15.833 1.00 26.07 H new ATOM 0 HE2 PHE B 872 4.762 26.715 15.576 1.00 27.24 H new ATOM 0 HZ PHE B 872 6.725 25.774 16.394 1.00 29.48 H new ATOM 2991 N ALA B 873 6.798 33.557 12.921 1.00 29.23 N ATOM 2992 CA ALA B 873 7.166 34.712 12.085 1.00 32.89 C ATOM 2993 C ALA B 873 7.333 34.372 10.627 1.00 33.81 C ATOM 2994 O ALA B 873 8.372 34.693 10.057 1.00 34.11 O ATOM 2995 CB ALA B 873 8.444 35.347 12.614 1.00 33.54 C ATOM 0 H ALA B 873 6.097 33.689 13.401 1.00 29.23 H new ATOM 0 HA ALA B 873 6.427 35.338 12.140 1.00 32.89 H new ATOM 0 HB1 ALA B 873 8.681 36.107 12.060 1.00 33.54 H new ATOM 0 HB2 ALA B 873 8.304 35.644 13.527 1.00 33.54 H new ATOM 0 HB3 ALA B 873 9.162 34.695 12.593 1.00 33.54 H new ATOM 2996 N ILE B 874 6.368 33.655 10.050 1.00 35.30 N ATOM 2997 CA ILE B 874 6.460 33.193 8.649 1.00 40.24 C ATOM 2998 C ILE B 874 6.197 34.432 7.782 1.00 52.96 C ATOM 2999 O ILE B 874 5.292 35.216 8.130 1.00 48.35 O ATOM 3000 CB ILE B 874 5.405 32.125 8.326 1.00 39.63 C ATOM 3001 CG1 ILE B 874 5.578 30.876 9.213 1.00 44.15 C ATOM 3002 CG2 ILE B 874 5.410 31.750 6.850 1.00 38.52 C ATOM 3003 CD1 ILE B 874 6.578 29.886 8.718 1.00 47.33 C ATOM 0 H ILE B 874 5.644 33.421 10.451 1.00 35.30 H new ATOM 0 HA ILE B 874 7.328 32.793 8.486 1.00 40.24 H new ATOM 0 HB ILE B 874 4.539 32.514 8.524 1.00 39.63 H new ATOM 0 HG12 ILE B 874 5.838 31.161 10.103 1.00 44.15 H new ATOM 0 HG13 ILE B 874 4.719 30.434 9.297 1.00 44.15 H new ATOM 0 HG21 ILE B 874 4.733 31.075 6.685 1.00 38.52 H new ATOM 0 HG22 ILE B 874 5.219 32.537 6.315 1.00 38.52 H new ATOM 0 HG23 ILE B 874 6.281 31.399 6.608 1.00 38.52 H new ATOM 0 HD11 ILE B 874 6.623 29.136 9.332 1.00 47.33 H new ATOM 0 HD12 ILE B 874 6.313 29.569 7.840 1.00 47.33 H new ATOM 0 HD13 ILE B 874 7.449 30.308 8.659 1.00 47.33 H new ATOM 3004 N GLN B 875 6.977 34.635 6.708 1.00 61.05 N ATOM 3005 CA GLN B 875 6.696 35.694 5.701 1.00 72.15 C ATOM 3006 C GLN B 875 5.169 35.829 5.342 1.00 90.03 C ATOM 3007 O GLN B 875 4.438 34.825 5.320 1.00 91.69 O ATOM 3008 CB GLN B 875 7.522 35.438 4.428 1.00 73.97 C ATOM 3009 CG GLN B 875 7.273 34.077 3.739 1.00 78.39 C ATOM 3010 CD GLN B 875 7.377 34.127 2.202 1.00 80.93 C ATOM 3011 OE1 GLN B 875 8.168 34.889 1.642 1.00 87.60 O ATOM 3012 NE2 GLN B 875 6.582 33.310 1.520 1.00 75.01 N ATOM 0 H GLN B 875 7.680 34.170 6.538 1.00 61.05 H new ATOM 0 HA GLN B 875 6.956 36.537 6.104 1.00 72.15 H new ATOM 0 HB2 GLN B 875 7.334 36.145 3.791 1.00 73.97 H new ATOM 0 HB3 GLN B 875 8.463 35.502 4.653 1.00 73.97 H new ATOM 0 HG2 GLN B 875 7.913 33.431 4.077 1.00 78.39 H new ATOM 0 HG3 GLN B 875 6.391 33.757 3.984 1.00 78.39 H new ATOM 0 HE21 GLN B 875 6.040 32.789 1.938 1.00 75.01 H new ATOM 0 HE22 GLN B 875 6.609 33.302 0.660 1.00 75.01 H new ATOM 3013 N GLU B 876 4.695 37.057 5.077 1.00103.59 N ATOM 3014 CA GLU B 876 3.255 37.327 4.792 1.00102.21 C ATOM 3015 C GLU B 876 2.885 37.124 3.317 1.00105.50 C ATOM 3016 O GLU B 876 3.494 36.313 2.607 1.00104.35 O ATOM 3017 CB GLU B 876 2.863 38.749 5.227 1.00 95.89 C ATOM 0 H GLU B 876 5.191 37.760 5.056 1.00103.59 H new ATOM 0 HA GLU B 876 2.756 36.676 5.311 1.00102.21 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.343 7.800 4.220 1.00 25.98 ZN2+ HETATM 3020 ZN ZN A 902 22.569 -6.420 2.802 1.00 29.41 ZN2+ HETATM 3021 ZN ZN A 903 34.842 -21.525 13.921 0.43 86.74 ZN2+ HETATM 3022 O1 MES A 904 19.329 32.079 23.508 0.59 34.21 O HETATM 3023 C2 MES A 904 18.789 31.826 24.801 0.59 31.64 C HETATM 3024 C3 MES A 904 18.805 30.329 25.040 0.59 31.64 C HETATM 3025 N4 MES A 904 18.000 29.605 24.038 0.59 29.56 N HETATM 3026 C5 MES A 904 18.287 30.010 22.642 0.59 30.21 C HETATM 3027 C6 MES A 904 18.629 31.491 22.408 0.59 32.33 C HETATM 3028 C7 MES A 904 18.041 28.117 24.121 0.59 28.90 C HETATM 3029 C8 MES A 904 18.164 27.479 25.508 0.59 26.81 C HETATM 3030 S MES A 904 17.368 25.997 25.645 0.59 26.24 S HETATM 3031 O1S MES A 904 17.874 25.162 26.755 0.59 23.06 O HETATM 3032 O2S MES A 904 17.405 25.252 24.368 0.59 25.66 O HETATM 3033 O3S MES A 904 15.940 26.325 25.970 0.59 23.35 O HETATM 0 HN4 MES A 904 17.204 29.848 24.253 0.59 29.56 H new HETATM 0 H82 MES A 904 19.103 27.353 25.715 0.59 26.81 H new HETATM 0 H81 MES A 904 17.807 28.091 26.170 0.59 26.81 H new HETATM 0 H72 MES A 904 17.234 27.774 23.706 0.59 28.90 H new HETATM 0 H71 MES A 904 18.789 27.810 23.585 0.59 28.90 H new HETATM 0 H62 MES A 904 17.810 31.986 22.249 0.59 32.33 H new HETATM 0 H61 MES A 904 19.169 31.571 21.606 0.59 32.33 H new HETATM 0 H52 MES A 904 19.027 29.474 22.317 0.59 30.21 H new HETATM 0 H51 MES A 904 17.515 29.788 22.098 0.59 30.21 H new HETATM 0 H32 MES A 904 19.720 30.007 25.014 0.59 31.64 H new HETATM 0 H31 MES A 904 18.463 30.140 25.928 0.59 31.64 H new HETATM 0 H22 MES A 904 19.311 32.282 25.480 0.59 31.64 H new HETATM 0 H21 MES A 904 17.883 32.168 24.862 0.59 31.64 H new HETATM 3034 C1 EDO A 905 31.992 -0.388 32.087 1.00 79.07 C HETATM 3035 O1 EDO A 905 30.616 -0.034 31.869 1.00 78.91 O HETATM 3036 C2 EDO A 905 32.111 -1.786 32.672 1.00 72.87 C HETATM 3037 O2 EDO A 905 33.107 -2.546 31.955 1.00 59.68 O HETATM 0 HO2 EDO A 905 33.871 -2.243 32.130 1.00 59.68 H new HETATM 0 HO1 EDO A 905 30.397 -0.230 31.082 1.00 78.91 H new HETATM 0 H22 EDO A 905 32.350 -1.731 33.610 1.00 72.87 H new HETATM 0 H21 EDO A 905 31.254 -2.238 32.624 1.00 72.87 H new HETATM 0 H12 EDO A 905 32.478 -0.343 31.248 1.00 79.07 H new HETATM 0 H11 EDO A 905 32.403 0.253 32.688 1.00 79.07 H new HETATM 3038 ZN ZN B 901 -10.312 25.216 30.851 1.00 24.86 ZN2+ HETATM 3039 ZN ZN B 902 0.917 34.517 32.218 1.00 26.51 ZN2+ HETATM 3040 C1 EDO B 903 12.686 26.476 28.930 1.00 56.06 C HETATM 3041 O1 EDO B 903 11.368 26.043 29.231 1.00 47.14 O HETATM 3042 C2 EDO B 903 13.044 26.232 27.463 1.00 57.19 C HETATM 3043 O2 EDO B 903 12.026 26.634 26.522 1.00 56.70 O HETATM 0 HO2 EDO B 903 11.274 26.612 26.896 1.00 56.70 H new HETATM 0 HO1 EDO B 903 11.374 25.220 29.397 1.00 47.14 H new HETATM 0 H22 EDO B 903 13.863 26.709 27.259 1.00 57.19 H new HETATM 0 H21 EDO B 903 13.227 25.287 27.340 1.00 57.19 H new HETATM 0 H12 EDO B 903 12.769 27.421 29.130 1.00 56.06 H new HETATM 0 H11 EDO B 903 13.318 26.009 29.499 1.00 56.06 H new HETATM 3044 O HOH A1001 16.191 23.387 27.353 1.00121.50 O HETATM 3045 O HOH A1002 45.051 1.311 23.166 1.00 39.07 O HETATM 3046 O HOH A1003 18.992 5.189 29.014 1.00 45.76 O HETATM 3047 O HOH A1004 36.562 0.586 30.103 1.00 44.60 O HETATM 3048 O HOH A1005 19.263 -0.257 27.255 1.00 59.99 O HETATM 3049 O HOH A1006 19.761 25.349 33.233 1.00 52.07 O HETATM 3050 O HOH A1007 26.195 18.452 35.960 1.00 57.60 O HETATM 3051 O HOH A1008 34.716 4.770 6.742 1.00 40.28 O HETATM 3052 O HOH A1009 16.138 15.526 34.808 1.00 52.94 O HETATM 3053 O HOH A1010 14.104 5.110 27.034 1.00 52.94 O HETATM 3054 O HOH A1011 39.436 -10.051 24.403 1.00 39.63 O HETATM 3055 O HOH A1012 46.075 -7.092 17.896 1.00 45.68 O HETATM 3056 O HOH A1013 16.817 -1.905 9.853 1.00 50.22 O HETATM 3057 O HOH A1014 23.372 -14.078 33.701 1.00 27.93 O HETATM 3058 O HOH A1015 14.736 10.709 8.093 1.00 47.27 O HETATM 3059 O BHOH A1016 18.962 12.720 29.965 0.64 41.65 O HETATM 3060 O HOH A1017 15.450 3.079 16.805 1.00 29.99 O HETATM 3061 O HOH A1018 19.103 26.371 18.059 1.00 63.58 O HETATM 3062 O HOH A1019 25.737 22.157 14.618 1.00 28.68 O HETATM 3063 O HOH A1020 19.621 15.972 34.210 1.00 45.06 O HETATM 3064 O HOH A1021 31.004 21.173 13.497 1.00 28.15 O HETATM 3065 O HOH A1022 23.403 -13.315 17.915 1.00 56.78 O HETATM 3066 O HOH A1023 14.503 1.123 7.872 1.00 52.88 O HETATM 3067 O HOH A1024 29.322 14.820 30.942 1.00 30.46 O HETATM 3068 O HOH A1025 30.314 -5.807 -0.608 1.00 57.19 O HETATM 3069 O HOH A1026 32.409 21.829 20.402 1.00 26.39 O HETATM 3070 O HOH A1027 10.539 -0.264 -0.447 1.00 57.23 O HETATM 3071 O HOH A1028 21.898 -4.373 -5.701 1.00 63.14 O HETATM 3072 O HOH A1029 35.533 -1.796 31.588 1.00 33.52 O HETATM 3073 O HOH A1030 48.091 -0.690 24.476 1.00 49.17 O HETATM 3074 O HOH A1031 26.601 -3.907 28.697 1.00 24.99 O HETATM 3075 O HOH A1032 30.842 6.734 -0.627 1.00 43.58 O HETATM 3076 O HOH A1033 35.501 10.067 25.595 1.00 24.19 O HETATM 3077 O HOH A1034 28.826 -15.914 29.754 1.00 56.07 O HETATM 3078 O HOH A1035 31.919 -4.275 33.464 1.00 44.79 O HETATM 3079 O HOH A1036 24.530 17.851 24.941 1.00 24.40 O HETATM 3080 O HOH A1037 17.895 -8.209 27.787 1.00 45.00 O HETATM 3081 O HOH A1038 29.000 7.078 6.366 1.00 25.08 O HETATM 3082 O HOH A1039 19.837 24.365 24.108 1.00 44.48 O HETATM 3083 O HOH A1040 40.200 -7.243 18.497 1.00 29.43 O HETATM 3084 O HOH A1041 35.156 17.769 22.004 1.00 31.64 O HETATM 3085 O HOH A1042 14.804 4.309 23.429 1.00 32.47 O HETATM 3086 O HOH A1043 25.639 15.603 23.704 1.00 16.85 O HETATM 3087 O HOH A1044 14.762 1.541 23.486 1.00 46.98 O HETATM 3088 O HOH A1045 19.118 11.243 -2.582 1.00 33.89 O HETATM 3089 O HOH A1046 26.396 20.720 31.826 1.00 31.62 O HETATM 3090 O HOH A1047 37.430 11.170 22.541 1.00 37.89 O HETATM 3091 O HOH A1048 34.891 -1.413 7.957 1.00 23.38 O HETATM 3092 O HOH A1049 19.381 -5.753 12.986 1.00 76.19 O HETATM 3093 O HOH A1050 31.993 8.315 28.425 1.00 22.32 O HETATM 3094 O HOH A1051 19.251 -11.365 2.623 1.00 54.02 O HETATM 3095 O HOH A1052 14.264 4.686 29.588 1.00 54.85 O HETATM 3096 O HOH A1053 24.666 -2.070 27.925 1.00 28.17 O HETATM 3097 O HOH A1054 16.988 27.646 32.600 1.00 49.60 O HETATM 3098 O HOH A1055 6.905 17.210 26.470 1.00 55.64 O HETATM 3099 O HOH A1056 13.133 6.340 14.206 1.00 31.14 O HETATM 3100 O HOH A1057 17.487 -12.804 28.444 1.00 57.20 O HETATM 3101 O HOH A1058 31.668 -9.930 21.314 1.00 32.44 O HETATM 3102 O HOH A1059 24.233 -13.444 22.216 1.00 27.40 O HETATM 3103 O HOH A1060 23.001 8.695 -2.028 1.00 35.00 O HETATM 3104 O HOH A1061 34.886 -11.592 4.741 1.00 63.18 O HETATM 3105 O HOH A1062 33.820 23.619 29.864 1.00 78.67 O HETATM 3106 O HOH A1063 27.183 -8.661 15.844 1.00 43.73 O HETATM 3107 O HOH A1064 22.901 -8.182 10.416 1.00 38.35 O HETATM 3108 O HOH A1065 10.809 6.178 25.598 1.00 54.26 O HETATM 3109 O HOH A1066 20.062 34.571 24.195 1.00 75.03 O HETATM 3110 O HOH A1067 14.336 0.015 27.879 1.00 69.41 O HETATM 3111 O HOH A1068 26.274 11.399 8.962 1.00 47.28 O HETATM 3112 O HOH A1069 23.025 -8.733 26.898 1.00 53.74 O HETATM 3113 O HOH A1070 32.779 6.230 5.119 1.00 44.12 O HETATM 3114 O HOH A1071 29.911 -17.286 27.520 1.00 72.08 O HETATM 3115 O HOH A1072 44.470 7.549 12.452 1.00 45.86 O HETATM 3116 O HOH A1073 36.636 -3.318 9.094 1.00 25.78 O HETATM 3117 O HOH A1074 20.077 -6.926 26.294 1.00 34.73 O HETATM 3118 O HOH A1075 21.866 6.075 32.684 1.00 53.81 O HETATM 3119 O HOH A1076 20.665 2.909 28.676 1.00 44.57 O HETATM 3120 O HOH A1077 15.435 -4.485 -6.571 1.00 68.20 O HETATM 3121 O HOH A1078 37.520 7.984 23.173 1.00 29.85 O HETATM 3122 O HOH A1079 31.390 12.744 9.608 1.00 44.38 O HETATM 3123 O HOH A1080 24.896 27.595 29.107 1.00 23.30 O HETATM 3124 O HOH A1081 37.761 8.156 25.621 1.00 37.38 O HETATM 3125 O HOH A1082 29.058 -8.622 33.949 1.00132.20 O HETATM 3126 O HOH A1083 15.796 12.453 12.249 1.00 38.32 O HETATM 3127 O HOH A1084 22.481 17.532 15.974 1.00 28.72 O HETATM 3128 O HOH A1085 27.459 -1.205 31.452 1.00 42.82 O HETATM 3129 O HOH A1086 12.228 7.807 17.005 1.00 50.52 O HETATM 3130 O HOH A1087 16.915 8.131 11.306 1.00 30.23 O HETATM 3131 O HOH A1088 17.745 1.710 15.791 1.00 20.31 O HETATM 3132 O HOH A1089 9.330 9.622 22.663 1.00 34.17 O HETATM 3133 O HOH A1090 30.507 -21.120 23.370 1.00 27.29 O HETATM 3134 O HOH A1091 21.454 -5.031 16.680 1.00 28.07 O HETATM 3135 O HOH A1092 24.114 -11.434 20.327 1.00 38.90 O HETATM 3136 O HOH A1093 20.107 11.441 12.224 1.00 29.83 O HETATM 3137 O HOH A1094 24.658 7.327 9.020 1.00 26.21 O HETATM 3138 O HOH A1095 28.138 17.017 23.845 1.00 16.70 O HETATM 3139 O HOH A1096 32.613 -16.495 22.454 1.00 57.90 O HETATM 3140 O HOH A1097 32.007 16.527 29.086 1.00 20.01 O HETATM 3141 O HOH A1098 34.240 4.129 9.158 1.00 25.37 O HETATM 3142 O HOH A1099 17.121 -1.709 27.530 1.00 70.86 O HETATM 3143 O HOH A1100 39.207 -8.577 12.726 1.00 43.21 O HETATM 3144 O HOH A1101 27.895 27.069 28.446 1.00 32.49 O HETATM 3145 O HOH A1102 37.064 13.222 14.797 1.00 56.14 O HETATM 3146 O HOH A1103 27.320 -21.312 10.732 1.00 45.01 O HETATM 3147 O HOH A1104 27.763 -11.154 33.349 1.00 64.40 O HETATM 3148 O HOH A1105 30.573 21.818 32.684 1.00 41.52 O HETATM 3149 O HOH A1106 35.711 -20.398 19.668 1.00 59.22 O HETATM 3150 O HOH A1107 37.942 3.615 8.744 1.00 39.98 O HETATM 3151 O BHOH A1108 20.915 8.484 29.582 0.92 62.41 O HETATM 3152 O HOH A1109 30.069 22.331 21.578 1.00 22.95 O HETATM 3153 O HOH A1110 26.935 -9.348 31.501 1.00 38.72 O HETATM 3154 O HOH A1111 28.951 -10.689 3.794 1.00 40.88 O HETATM 3155 O HOH A1112 20.808 -9.301 8.728 1.00 49.59 O HETATM 3156 O BHOH A1113 21.055 11.148 28.601 0.62 25.93 O HETATM 3157 O HOH A1114 12.730 5.372 19.631 1.00 50.30 O HETATM 3158 O HOH A1115 34.166 -12.006 27.634 1.00 27.59 O HETATM 3159 O HOH A1116 42.047 1.736 14.464 1.00 55.89 O HETATM 3160 O HOH A1117 29.082 -7.642 31.139 1.00 27.00 O HETATM 3161 O HOH A1118 35.964 11.539 18.739 1.00 36.36 O HETATM 3162 O HOH A1119 40.327 12.080 6.528 1.00 84.53 O HETATM 3163 O HOH A1120 40.353 -0.184 10.180 1.00 34.70 O HETATM 3164 O HOH A1121 29.722 -2.815 3.179 1.00 30.43 O HETATM 3165 O HOH A1122 30.707 23.290 26.113 1.00 31.40 O HETATM 3166 O HOH A1123 31.660 25.036 29.730 1.00 50.33 O HETATM 3167 O HOH A1124 24.373 -8.483 15.485 1.00 42.03 O HETATM 3168 O HOH A1125 21.705 26.326 38.192 1.00 52.61 O HETATM 3169 O HOH A1126 15.625 3.580 10.233 1.00 31.99 O HETATM 3170 O HOH A1127 45.111 -6.129 23.905 1.00 60.10 O HETATM 3171 O HOH A1128 23.539 -7.891 29.805 1.00 47.18 O HETATM 3172 O HOH A1129 28.555 -0.021 -4.697 1.00 53.74 O HETATM 3173 O HOH A1130 24.399 9.125 30.268 1.00 43.09 O HETATM 3174 O HOH A1131 16.222 -0.300 2.806 1.00 29.43 O HETATM 3175 O HOH A1132 20.079 19.032 20.064 1.00 33.50 O HETATM 3176 O HOH A1133 25.923 7.788 29.174 1.00 40.82 O HETATM 3177 O HOH A1134 35.134 2.610 29.356 1.00 56.47 O HETATM 3178 O HOH A1135 39.967 -7.841 25.543 1.00 31.33 O HETATM 3179 O HOH A1136 31.039 -11.522 19.521 1.00 47.67 O HETATM 3180 O HOH A1137 20.024 31.002 27.628 1.00136.24 O HETATM 3181 O HOH A1138 20.029 -6.254 -5.420 1.00 59.81 O HETATM 3182 O HOH A1139 20.527 -0.555 29.452 1.00 46.28 O HETATM 3183 O HOH A1140 11.505 20.745 26.263 1.00 28.06 O HETATM 3184 O HOH A1141 15.431 25.719 22.391 1.00 22.32 O HETATM 3185 O HOH A1142 19.412 -8.012 -3.037 1.00 52.06 O HETATM 3186 O HOH A1143 34.664 -13.709 9.530 1.00 49.36 O HETATM 3187 O HOH A1144 44.159 3.365 15.490 1.00 50.59 O HETATM 3188 O HOH A1145 40.600 -0.023 12.857 1.00 30.62 O HETATM 3189 O HOH A1146 23.463 -10.379 22.538 1.00 50.26 O HETATM 3190 O HOH A1147 27.698 -11.195 1.607 1.00 57.51 O HETATM 3191 O HOH A1148 37.636 -2.858 30.396 1.00 38.37 O HETATM 3192 O HOH A1149 25.132 9.128 -3.830 1.00 57.97 O HETATM 3193 O HOH A1150 13.513 5.649 11.991 1.00 46.12 O HETATM 3194 O HOH A1151 26.574 5.413 30.582 1.00 42.69 O HETATM 3195 O HOH A1152 30.168 -11.962 15.718 1.00 36.47 O HETATM 3196 O HOH A1153 34.412 -13.830 21.079 1.00 54.76 O HETATM 3197 O HOH A1154 15.496 -4.658 27.487 1.00 54.42 O HETATM 3198 O HOH A1155 33.593 -8.824 34.358 1.00 53.44 O HETATM 3199 O HOH A1156 22.385 0.172 -6.424 1.00 45.01 O HETATM 3200 O HOH A1157 22.078 26.079 24.130 1.00 32.06 O HETATM 3201 O HOH A1158 33.423 -12.109 7.250 1.00 56.49 O HETATM 3202 O HOH A1159 24.128 10.386 1.176 1.00 33.40 O HETATM 3203 O HOH A1160 42.340 -7.244 21.451 1.00 31.67 O HETATM 3204 O HOH A1161 44.298 5.329 21.221 1.00 38.66 O HETATM 3205 O HOH A1162 24.343 17.363 19.217 1.00 19.45 O HETATM 3206 O HOH A1163 25.600 23.105 34.410 1.00 41.24 O HETATM 3207 O HOH A1164 25.626 -18.067 13.664 1.00 59.94 O HETATM 3208 O HOH A1165 18.071 30.211 28.776 1.00 39.82 O HETATM 3209 O HOH A1166 21.140 19.885 22.219 1.00 31.35 O HETATM 3210 O HOH A1167 17.669 -0.441 17.051 1.00 30.07 O HETATM 3211 O HOH A1168 33.902 -14.732 12.264 1.00 46.86 O HETATM 3212 O HOH A1169 17.761 -5.464 26.465 1.00 30.10 O HETATM 3213 O HOH A1170 32.407 6.096 10.026 1.00 21.42 O HETATM 3214 O HOH A1171 32.215 -15.968 25.176 1.00 49.73 O HETATM 3215 O HOH A1172 31.895 -9.922 6.672 1.00 38.58 O HETATM 3216 O HOH A1173 39.023 3.342 14.740 1.00 25.68 O HETATM 3217 O HOH A1174 16.638 3.977 30.594 1.00 49.98 O HETATM 3218 O HOH A1175 19.997 -6.432 23.469 1.00 25.39 O HETATM 3219 O HOH A1176 27.771 -15.100 3.837 1.00 58.93 O HETATM 3220 O HOH A1177 24.117 15.657 10.379 1.00 39.35 O HETATM 3221 O HOH A1178 25.296 -12.440 5.181 1.00 53.96 O HETATM 3222 O HOH A1179 27.088 18.749 30.163 1.00 21.56 O HETATM 3223 O HOH A1180 21.135 16.990 12.880 1.00 46.09 O HETATM 3224 O HOH A1181 25.460 15.659 20.983 1.00 16.19 O HETATM 3225 O HOH A1182 39.978 4.736 26.030 1.00 42.18 O HETATM 3226 O HOH A1183 31.555 18.167 31.422 1.00 30.86 O HETATM 3227 O HOH A1184 35.447 3.343 -3.076 1.00 69.35 O HETATM 3228 O HOH A1185 28.752 -10.419 13.860 1.00 42.05 O HETATM 3229 O HOH A1186 22.379 18.063 23.645 1.00 26.40 O HETATM 3230 O HOH A1187 19.299 27.129 20.765 1.00 54.27 O HETATM 3231 O HOH A1188 32.182 -6.635 32.666 1.00 31.86 O HETATM 3232 O HOH A1189 38.885 -9.616 15.291 1.00 43.39 O HETATM 3233 O HOH A1190 15.844 28.164 28.290 1.00 35.35 O HETATM 3234 O HOH A1191 28.557 17.702 11.666 1.00 28.64 O HETATM 3235 O HOH A1192 39.776 4.795 29.742 1.00 41.08 O HETATM 3236 O HOH A1193 35.971 19.109 18.121 1.00 62.51 O HETATM 3237 O HOH A1194 19.870 9.370 10.135 1.00 30.30 O HETATM 3238 O HOH A1195 32.243 3.279 28.916 1.00 26.98 O HETATM 3239 O HOH A1196 34.381 22.871 26.467 1.00 54.45 O HETATM 3240 O HOH A1197 9.448 8.429 3.202 1.00 71.49 O HETATM 3241 O HOH A1198 34.581 21.841 16.333 1.00 48.22 O HETATM 3242 O HOH A1199 25.399 29.738 33.403 1.00 48.33 O HETATM 3243 O HOH A1200 23.751 18.692 36.133 1.00 45.59 O HETATM 3244 O HOH A1201 16.564 22.411 35.387 1.00 59.11 O HETATM 3245 O HOH A1202 21.173 -8.381 29.972 1.00 47.33 O HETATM 3246 O HOH A1203 25.038 -0.807 -4.931 1.00 62.42 O HETATM 3247 O HOH A1204 21.298 -12.905 35.939 1.00 63.80 O HETATM 3248 O HOH A1205 22.665 22.572 20.817 1.00 31.11 O HETATM 3249 O HOH A1206 36.741 -12.677 22.743 1.00 56.01 O HETATM 3250 O HOH A1207 35.001 0.671 -4.102 1.00 78.01 O HETATM 3251 O HOH A1208 25.816 2.820 30.345 1.00 46.26 O HETATM 3252 O HOH A1209 12.742 -2.781 27.501 1.00 50.09 O HETATM 3253 O HOH A1210 17.694 -2.883 -7.147 1.00 60.78 O HETATM 3254 O HOH A1211 28.567 20.028 12.945 1.00 26.70 O HETATM 3255 O HOH A1212 40.702 4.131 21.690 1.00 25.57 O HETATM 3256 O HOH A1213 31.238 17.006 12.489 1.00 27.96 O HETATM 3257 O HOH A1214 18.396 13.855 34.264 1.00 56.53 O HETATM 3258 O HOH A1215 29.499 -0.613 -8.098 1.00 67.71 O HETATM 3259 O HOH A1216 30.844 -3.490 -12.701 1.00 53.82 O HETATM 3260 O HOH A1217 20.918 28.355 23.029 1.00 41.49 O HETATM 3261 O HOH A1218 30.688 -13.995 29.794 1.00 43.60 O HETATM 3262 O HOH A1219 23.399 -10.262 12.165 1.00 64.47 O HETATM 3263 O HOH A1220 36.099 7.862 29.229 1.00 77.57 O HETATM 3264 O HOH A1221 22.341 20.161 16.598 1.00 44.91 O HETATM 3265 O HOH A1222 6.030 19.327 30.409 1.00 52.82 O HETATM 3266 O HOH A1223 35.627 18.057 15.401 1.00 66.47 O HETATM 3267 O HOH A1224 21.241 -9.710 6.153 1.00 38.78 O HETATM 3268 O HOH A1225 38.078 -8.151 31.655 1.00 47.67 O HETATM 3269 O HOH A1226 20.123 -8.751 22.162 1.00 37.38 O HETATM 3270 O HOH A1227 18.048 -1.035 11.774 1.00 40.15 O HETATM 3271 O HOH A1228 22.826 -11.749 3.596 1.00 58.17 O HETATM 3272 O HOH A1229 14.669 2.158 12.525 1.00 50.42 O HETATM 3273 O HOH A1230 21.377 -13.597 14.800 1.00 55.80 O HETATM 3274 O HOH A1231 28.495 17.412 34.827 1.00 42.90 O HETATM 3275 O HOH A1232 24.151 -12.271 -4.345 1.00 60.72 O HETATM 3276 O HOH A1233 33.852 4.986 2.754 1.00 54.47 O HETATM 3277 O HOH A1234 17.872 25.059 35.440 1.00 61.51 O HETATM 3278 O HOH A1235 30.039 9.784 34.178 1.00 45.31 O HETATM 3279 O HOH A1236 10.535 21.335 30.719 1.00 48.35 O HETATM 3280 O HOH A1237 15.519 27.376 30.610 1.00 44.76 O HETATM 3281 O HOH A1238 33.289 9.054 4.531 1.00 44.53 O HETATM 3282 O HOH A1239 34.604 5.864 31.228 1.00 48.19 O HETATM 3283 O HOH A1240 40.702 3.148 23.835 1.00 42.14 O HETATM 3284 O HOH A1241 37.798 12.452 28.591 1.00 79.98 O HETATM 3285 O HOH A1242 28.906 13.526 8.953 1.00 55.66 O HETATM 3286 O HOH A1243 27.572 -5.416 31.223 1.00 46.81 O HETATM 3287 O HOH A1244 23.986 5.460 31.953 1.00 57.79 O HETATM 3288 O HOH A1245 17.988 28.479 27.839 1.00104.84 O HETATM 3289 O HOH A1246 21.991 30.430 21.889 1.00 46.03 O HETATM 3290 O HOH A1247 31.578 13.775 31.874 1.00 34.26 O HETATM 3291 O HOH A1248 21.290 30.959 19.457 1.00 45.66 O HETATM 3292 O HOH A1249 24.361 -0.662 30.466 1.00 49.01 O HETATM 3293 O HOH A1250 31.314 11.113 31.790 1.00 38.49 O HETATM 3294 O HOH A1251 33.594 1.799 31.069 1.00 55.65 O HETATM 3295 O HOH A1252 21.379 -10.262 23.511 1.00 60.90 O HETATM 3296 O HOH A1253 32.093 -3.691 0.654 1.00 55.19 O HETATM 3297 O HOH A1254 22.742 10.705 3.607 1.00 36.79 O HETATM 3298 O HOH A1255 17.864 -10.619 -0.912 1.00 59.12 O HETATM 3299 O HOH A1256 13.542 3.403 14.662 1.00 42.14 O HETATM 3300 O HOH A1257 29.932 9.693 29.988 1.00 28.43 O HETATM 3301 O HOH A1258 39.992 10.164 26.080 1.00 46.81 O HETATM 3302 O HOH A1259 33.412 15.886 12.954 1.00 50.44 O HETATM 3303 O HOH A1260 31.967 -17.918 26.019 1.00 60.20 O HETATM 3304 O HOH A1261 34.294 9.742 28.366 1.00 31.32 O HETATM 3305 O HOH A1262 33.789 -12.498 18.721 1.00 54.58 O HETATM 3306 O HOH A1263 34.909 20.430 14.836 1.00 50.02 O HETATM 3307 O HOH A1264 37.010 15.619 21.607 1.00 57.92 O HETATM 3308 O HOH A1265 22.691 -8.464 13.468 1.00 55.63 O HETATM 3309 O HOH A1266 44.651 5.329 23.554 1.00 56.08 O HETATM 3310 O HOH A1267 24.626 20.574 10.469 1.00 62.03 O HETATM 3311 O HOH A1268 26.680 21.765 12.183 1.00 38.40 O HETATM 3312 O HOH A1269 30.705 25.768 27.031 1.00 41.90 O HETATM 3313 O HOH A1270 23.764 11.912 5.489 1.00 44.01 O HETATM 3314 O HOH A1271 37.414 13.074 20.490 1.00 60.72 O HETATM 3315 O HOH A1272 28.866 17.639 31.692 1.00 25.77 O HETATM 3316 O HOH A1273 34.075 -14.550 26.587 1.00 43.71 O HETATM 3317 O HOH A1274 10.496 13.148 30.707 1.00 69.83 O HETATM 3318 O HOH A1275 28.150 7.858 30.945 1.00 35.56 O HETATM 3319 O HOH A1276 32.885 9.367 7.163 1.00 40.07 O HETATM 3320 O HOH A1277 23.217 2.496 30.953 1.00 60.86 O HETATM 3321 O HOH A1278 43.650 -8.410 19.311 1.00 60.63 O HETATM 3322 O HOH A1279 31.496 6.908 7.598 1.00 24.26 O HETATM 3323 O HOH A1280 15.226 0.467 30.545 1.00 70.26 O HETATM 3324 O HOH A1281 37.000 18.921 23.575 1.00 46.97 O HETATM 3325 O HOH A1282 34.539 20.070 20.642 1.00 36.82 O HETATM 3326 O HOH A1283 18.818 -6.621 30.008 1.00 54.20 O HETATM 3327 O HOH A1284 34.110 23.731 21.341 1.00 41.05 O HETATM 3328 O HOH A1285 13.096 5.976 21.810 1.00 52.47 O HETATM 3329 O HOH A1286 23.366 11.027 8.445 1.00 42.62 O HETATM 3330 O HOH A1287 34.022 14.952 29.900 1.00 26.48 O HETATM 3331 O HOH A1288 33.098 -14.944 29.792 1.00 53.93 O HETATM 3332 O HOH A1289 21.368 -13.714 4.426 1.00 79.74 O HETATM 3333 O HOH A1290 14.604 36.060 30.916 1.00 68.12 O HETATM 3334 O HOH A1291 40.691 -8.034 28.344 1.00 54.26 O HETATM 3335 O HOH A1292 32.817 -20.083 23.350 1.00 43.24 O HETATM 3336 O HOH A1293 35.559 22.355 23.544 1.00 56.59 O HETATM 3337 O HOH A1294 31.273 14.304 34.659 1.00 69.08 O HETATM 3338 O HOH A1295 18.248 11.539 4.691 1.00 50.32 O HETATM 3339 O HOH A1296 35.544 15.666 13.584 1.00 56.59 O HETATM 3340 O HOH A1297 16.299 10.345 10.587 1.00 39.51 O HETATM 3341 O HOH A1298 22.254 22.920 18.007 1.00 70.13 O HETATM 3342 O HOH A1299 22.149 8.881 8.382 1.00 32.69 O HETATM 3343 O HOH A1300 13.007 8.703 31.280 1.00 47.08 O HETATM 3344 O HOH A1301 16.442 0.363 13.665 1.00 30.85 O HETATM 3345 O HOH A1302 40.268 6.899 22.170 1.00 43.77 O HETATM 3346 O HOH A1303 24.352 10.928 -5.650 1.00 59.74 O HETATM 3347 O HOH A1304 20.840 -2.607 -7.652 1.00 48.78 O HETATM 3348 O HOH A1305 22.285 13.004 10.506 1.00 42.37 O HETATM 3349 O HOH A1306 32.018 5.859 29.865 1.00 23.29 O HETATM 3350 O HOH A1307 25.144 -5.639 30.626 1.00 32.90 O HETATM 3351 O HOH A1308 36.004 -12.132 29.936 1.00 45.76 O HETATM 3352 O HOH A1309 34.873 12.278 29.404 1.00 38.21 O HETATM 3353 O HOH A1310 20.036 -15.210 2.417 1.00 57.89 O HETATM 3354 O HOH A1311 30.065 5.655 31.297 1.00 40.16 O HETATM 3355 O HOH A1312 33.201 17.489 33.517 1.00 44.85 O HETATM 3356 O HOH A1313 9.484 11.542 33.702 1.00 65.49 O HETATM 3357 O HOH A1314 14.849 7.241 32.896 1.00 69.03 O HETATM 3358 O HOH B1001 11.740 28.415 26.865 1.00 41.91 O HETATM 3359 O HOH B1002 -15.590 5.809 12.978 1.00 57.58 O HETATM 3360 O HOH B1003 -13.595 30.561 38.377 1.00 43.43 O HETATM 3361 O HOH B1004 -13.232 14.111 10.797 1.00 34.45 O HETATM 3362 O HOH B1005 -6.506 27.917 6.199 1.00 58.19 O HETATM 3363 O HOH B1006 -5.988 18.410 2.347 1.00 70.95 O HETATM 3364 O HOH B1007 -0.076 18.918 35.778 1.00 33.36 O HETATM 3365 O HOH B1008 -14.042 15.753 23.488 1.00 81.80 O HETATM 3366 O HOH B1009 -6.366 34.530 25.192 1.00 45.60 O HETATM 3367 O HOH B1010 -13.540 20.977 5.115 1.00 66.10 O HETATM 3368 O HOH B1011 3.920 17.928 28.271 1.00 39.53 O HETATM 3369 O HOH B1012 -10.247 31.493 18.179 1.00 28.39 O HETATM 3370 O HOH B1013 -9.519 6.197 14.985 1.00 57.39 O HETATM 3371 O HOH B1014 11.370 23.666 28.410 1.00 31.51 O HETATM 3372 O HOH B1015 -2.922 17.515 30.018 1.00 63.00 O HETATM 3373 O HOH B1016 7.474 22.634 27.097 1.00 24.35 O HETATM 3374 O HOH B1017 3.492 13.083 9.321 1.00 46.64 O HETATM 3375 O HOH B1018 -9.986 7.622 21.586 1.00 46.24 O HETATM 3376 O HOH B1019 19.479 20.115 17.276 1.00 40.36 O HETATM 3377 O HOH B1020 -21.307 13.231 11.711 1.00 47.16 O HETATM 3378 O HOH B1021 -12.898 29.022 39.790 1.00 47.23 O HETATM 3379 O HOH B1022 3.539 18.959 25.812 1.00 24.48 O HETATM 3380 O HOH B1023 -14.355 15.966 19.333 1.00 33.21 O HETATM 3381 O HOH B1024 14.631 37.206 20.666 1.00 53.60 O HETATM 3382 O HOH B1025 10.378 38.189 30.655 1.00 46.85 O HETATM 3383 O HOH B1026 -15.671 29.749 18.160 1.00 46.77 O HETATM 3384 O HOH B1027 -10.131 11.080 1.032 1.00 53.25 O HETATM 3385 O HOH B1028 13.962 29.569 26.779 1.00 30.89 O HETATM 3386 O HOH B1029 0.876 11.584 27.536 1.00 34.89 O HETATM 3387 O HOH B1030 15.347 23.890 16.345 1.00 39.43 O HETATM 3388 O HOH B1031 -9.686 32.993 11.631 1.00 55.74 O HETATM 3389 O HOH B1032 -5.308 35.081 18.991 1.00 46.15 O HETATM 3390 O HOH B1033 1.667 9.130 21.778 1.00 52.68 O HETATM 3391 O HOH B1034 16.569 26.221 10.437 1.00 64.47 O HETATM 3392 O HOH B1035 -8.698 42.297 40.773 0.50 98.79 O HETATM 3393 O HOH B1036 -5.612 20.347 5.890 1.00 40.25 O HETATM 3394 O HOH B1037 -12.373 27.112 23.734 1.00 42.00 O HETATM 3395 O HOH B1038 -8.000 33.609 32.048 1.00 27.51 O HETATM 3396 O HOH B1039 -15.838 25.621 26.791 1.00 42.81 O HETATM 3397 O HOH B1040 0.218 11.964 16.606 1.00 44.57 O HETATM 3398 O HOH B1041 10.492 11.767 13.887 1.00 55.50 O HETATM 3399 O HOH B1042 -11.936 22.158 22.855 1.00 34.23 O HETATM 3400 O HOH B1043 -8.335 40.177 38.515 1.00 64.48 O HETATM 3401 O HOH B1044 2.063 11.307 13.874 1.00 52.65 O HETATM 3402 O HOH B1045 15.088 33.877 27.126 1.00 42.56 O HETATM 3403 O HOH B1046 -7.855 22.324 37.067 1.00 30.03 O HETATM 3404 O HOH B1047 -12.796 34.134 25.599 1.00 87.91 O HETATM 3405 O HOH B1048 3.822 20.209 32.708 1.00 42.61 O HETATM 3406 O HOH B1049 0.694 12.979 9.679 1.00 26.63 O HETATM 3407 O HOH B1050 13.420 38.428 27.200 1.00 39.17 O HETATM 3408 O HOH B1051 -4.129 10.633 23.153 1.00 39.94 O HETATM 3409 O HOH B1052 -1.888 11.803 27.083 1.00 58.25 O HETATM 3410 O HOH B1053 -13.581 30.391 23.073 1.00 52.83 O HETATM 3411 O HOH B1054 -14.775 17.881 22.402 1.00 60.22 O HETATM 3412 O HOH B1055 -19.478 21.831 1.698 1.00 80.72 O HETATM 3413 O HOH B1056 0.073 29.068 6.825 1.00 33.76 O HETATM 3414 O HOH B1057 -12.830 14.769 16.095 1.00 22.77 O HETATM 3415 O HOH B1058 8.160 19.743 5.281 1.00 59.59 O HETATM 3416 O HOH B1059 -13.829 31.174 15.367 1.00 41.11 O HETATM 3417 O HOH B1060 -2.525 19.918 28.544 1.00 24.34 O HETATM 3418 O HOH B1061 11.000 18.115 22.182 1.00 25.08 O HETATM 3419 O HOH B1062 13.658 31.425 7.166 1.00 59.60 O HETATM 3420 O HOH B1063 -0.823 16.468 6.711 1.00 26.61 O HETATM 3421 O HOH B1064 -11.674 31.012 11.404 1.00 36.75 O HETATM 3422 O HOH B1065 6.578 37.372 30.176 1.00 38.18 O HETATM 3423 O HOH B1066 -0.414 33.942 17.682 1.00 48.12 O HETATM 3424 O HOH B1067 10.447 31.632 28.336 1.00 30.52 O HETATM 3425 O HOH B1068 8.057 15.352 4.843 1.00 47.98 O HETATM 3426 O HOH B1069 -7.843 31.006 19.254 1.00 26.56 O HETATM 3427 O HOH B1070 2.815 29.305 6.394 1.00 30.61 O HETATM 3428 O HOH B1071 -6.985 20.085 38.685 1.00 36.25 O HETATM 3429 O HOH B1072 -0.199 35.936 8.341 1.00 58.02 O HETATM 3430 O HOH B1073 11.024 18.234 25.182 1.00 25.63 O HETATM 3431 O HOH B1074 15.431 24.394 9.081 1.00 48.68 O HETATM 3432 O HOH B1075 -11.605 14.032 -2.576 1.00 49.77 O HETATM 3433 O HOH B1076 -4.416 7.217 13.717 1.00 82.35 O HETATM 3434 O HOH B1077 10.172 21.926 4.500 1.00 49.53 O HETATM 3435 O HOH B1078 1.112 18.384 24.971 1.00 24.58 O HETATM 3436 O HOH B1079 -14.676 15.999 12.203 1.00 32.77 O HETATM 3437 O HOH B1080 -21.842 14.811 3.696 1.00 75.26 O HETATM 3438 O HOH B1081 -11.307 33.250 29.402 1.00 54.13 O HETATM 3439 O HOH B1082 -10.647 14.896 11.601 1.00 29.20 O HETATM 3440 O HOH B1083 11.606 13.145 19.502 1.00 43.36 O HETATM 3441 O HOH B1084 -5.963 22.406 26.094 1.00 23.99 O HETATM 3442 O HOH B1085 -14.175 30.719 20.526 1.00 33.46 O HETATM 3443 O HOH B1086 -0.582 37.635 38.222 1.00 65.87 O HETATM 3444 O HOH B1087 -11.216 21.181 6.405 1.00 45.97 O HETATM 3445 O HOH B1088 1.746 26.528 3.331 1.00 54.74 O HETATM 3446 O HOH B1089 -9.333 12.007 23.484 1.00 29.67 O HETATM 3447 O HOH B1090 3.266 24.587 32.690 1.00 29.47 O HETATM 3448 O HOH B1091 -4.714 14.181 25.338 1.00 31.24 O HETATM 3449 O HOH B1092 7.551 23.513 29.345 1.00 44.31 O HETATM 3450 O HOH B1093 -1.340 34.692 21.288 1.00 59.49 O HETATM 3451 O HOH B1094 -10.454 15.227 14.179 1.00 25.76 O HETATM 3452 O HOH B1095 8.385 28.022 2.487 1.00 43.49 O HETATM 3453 O HOH B1096 -14.632 4.314 9.762 1.00 61.91 O HETATM 3454 O HOH B1097 4.039 27.136 31.796 1.00 26.06 O HETATM 3455 O HOH B1098 -10.114 1.807 9.498 1.00 65.55 O HETATM 3456 O HOH B1099 -23.143 14.897 6.672 1.00 57.15 O HETATM 3457 O HOH B1100 11.050 15.550 20.682 1.00 49.39 O HETATM 3458 O HOH B1101 7.649 16.513 20.416 1.00 23.15 O HETATM 3459 O HOH B1102 -18.459 30.489 20.212 1.00 76.55 O HETATM 3460 O HOH B1103 -16.936 15.958 15.681 1.00 39.83 O HETATM 3461 O HOH B1104 -7.893 36.877 30.329 1.00 46.65 O HETATM 3462 O HOH B1105 -14.663 10.259 20.807 1.00 47.64 O HETATM 3463 O HOH B1106 -15.598 31.844 8.774 1.00 54.57 O HETATM 3464 O HOH B1107 -6.170 9.877 6.190 1.00 38.00 O HETATM 3465 O HOH B1108 -16.480 24.220 35.277 1.00 62.22 O HETATM 3466 O HOH B1109 8.472 33.869 31.201 1.00 53.89 O HETATM 3467 O HOH B1110 8.873 28.673 41.188 1.00 61.06 O HETATM 3468 O HOH B1111 7.286 14.641 9.383 1.00 41.87 O HETATM 3469 O HOH B1112 -10.736 31.105 24.728 1.00 26.10 O HETATM 3470 O HOH B1113 10.181 29.105 29.108 1.00 30.03 O HETATM 3471 O HOH B1114 -10.362 35.570 30.736 1.00 59.47 O HETATM 3472 O HOH B1115 -6.380 32.740 17.691 1.00 30.17 O HETATM 3473 O HOH B1116 3.761 13.474 11.929 1.00 39.25 O HETATM 3474 O HOH B1117 -9.703 23.102 5.846 1.00 43.99 O HETATM 3475 O HOH B1118 8.594 14.649 13.657 1.00 26.37 O HETATM 3476 O HOH B1119 6.528 30.772 3.732 1.00 49.84 O HETATM 3477 O HOH B1120 6.342 23.940 3.384 1.00 50.45 O HETATM 3478 O HOH B1121 -7.533 18.099 26.042 1.00 45.09 O HETATM 3479 O HOH B1122 -26.920 17.894 6.913 1.00 33.50 O HETATM 3480 O HOH B1123 12.351 43.381 23.142 1.00 51.93 O HETATM 3481 O HOH B1124 13.227 30.159 19.306 1.00 46.48 O HETATM 3482 O HOH B1125 -10.971 10.250 21.988 1.00 28.06 O HETATM 3483 O HOH B1126 9.943 23.047 26.178 1.00 23.58 O HETATM 3484 O HOH B1127 -16.997 15.202 13.311 1.00 38.51 O HETATM 3485 O HOH B1128 -8.273 8.561 3.866 1.00 63.15 O HETATM 3486 O HOH B1129 -24.733 20.184 8.843 1.00 31.09 O HETATM 3487 O HOH B1130 -13.378 6.421 20.639 1.00 79.73 O HETATM 3488 O HOH B1131 -10.351 33.672 27.170 1.00 47.95 O HETATM 3489 O HOH B1132 1.370 19.086 38.466 1.00 58.06 O HETATM 3490 O HOH B1133 2.183 35.920 24.439 1.00 41.58 O HETATM 3491 O HOH B1134 1.263 41.131 32.700 1.00 54.41 O HETATM 3492 O HOH B1135 2.923 36.105 22.058 1.00 54.94 O HETATM 3493 O HOH B1136 -9.422 12.338 11.554 1.00 24.33 O HETATM 3494 O HOH B1137 17.110 22.522 13.980 1.00 32.81 O HETATM 3495 O HOH B1138 2.502 20.155 6.228 1.00 35.89 O HETATM 3496 O HOH B1139 -6.815 10.683 22.636 1.00 24.83 O HETATM 3497 O HOH B1140 8.409 9.349 17.739 1.00 56.28 O HETATM 3498 O HOH B1141 -20.283 9.403 12.011 1.00 53.64 O HETATM 3499 O HOH B1142 -4.484 30.835 6.233 1.00 42.91 O HETATM 3500 O HOH B1143 14.224 25.882 3.285 1.00 59.35 O HETATM 3501 O HOH B1144 -0.663 35.728 11.259 1.00 42.70 O HETATM 3502 O HOH B1145 -8.004 20.141 33.906 1.00 27.84 O HETATM 3503 O HOH B1146 15.604 29.560 19.459 1.00 52.90 O HETATM 3504 O HOH B1147 8.245 39.475 29.500 1.00 79.66 O HETATM 3505 O HOH B1148 -2.143 5.704 9.590 1.00 78.63 O HETATM 3506 O HOH B1149 11.418 39.916 28.821 1.00 50.50 O HETATM 3507 O HOH B1150 -16.377 24.165 23.028 1.00 29.95 O HETATM 3508 O HOH B1151 -5.900 30.636 40.951 1.00 36.23 O HETATM 3509 O HOH B1152 -0.270 9.950 20.845 1.00 43.88 O HETATM 3510 O HOH B1153 -25.360 20.543 3.940 1.00 38.60 O HETATM 3511 O HOH B1154 -10.964 23.868 24.786 1.00 31.24 O HETATM 3512 O HOH B1155 10.715 15.192 5.229 1.00 68.17 O HETATM 3513 O HOH B1156 -6.414 37.741 28.148 1.00 53.87 O HETATM 3514 O HOH B1157 17.941 41.742 16.580 1.00 57.52 O HETATM 3515 O HOH B1158 6.662 28.218 34.583 1.00 36.73 O HETATM 3516 O HOH B1159 0.666 36.683 41.588 1.00 50.24 O HETATM 3517 O HOH B1160 -3.332 22.296 4.423 1.00 56.22 O HETATM 3518 O HOH B1161 4.522 39.553 38.730 1.00 66.92 O HETATM 3519 O HOH B1162 1.607 18.220 29.510 1.00 31.81 O HETATM 3520 O HOH B1163 12.209 15.599 7.306 1.00 58.13 O HETATM 3521 O HOH B1164 5.248 37.223 13.503 1.00 53.97 O HETATM 3522 O HOH B1165 7.666 35.190 33.197 1.00 59.55 O HETATM 3523 O HOH B1166 -27.996 25.491 4.998 1.00 54.30 O HETATM 3524 O HOH B1167 -18.100 30.295 32.916 1.00 53.59 O HETATM 3525 O HOH B1168 0.033 9.238 15.562 1.00 39.92 O HETATM 3526 O HOH B1169 -17.006 12.566 15.192 1.00 57.22 O HETATM 3527 O HOH B1170 -20.829 24.281 27.590 1.00 49.40 O HETATM 3528 O HOH B1171 -23.967 16.640 2.175 1.00 84.38 O HETATM 3529 O HOH B1172 -3.682 10.181 5.458 1.00 43.06 O HETATM 3530 O HOH B1173 17.501 36.096 21.041 1.00 49.70 O HETATM 3531 O HOH B1174 1.095 40.164 30.068 1.00 88.30 O HETATM 3532 O HOH B1175 19.518 18.465 10.754 1.00 64.18 O HETATM 3533 O HOH B1176 8.996 13.847 28.923 1.00 65.50 O HETATM 3534 O HOH B1177 11.118 28.807 0.882 1.00 71.20 O HETATM 3535 O HOH B1178 -11.174 7.491 14.061 1.00 45.53 O HETATM 3536 O HOH B1179 1.146 28.165 47.253 1.00 52.20 O HETATM 3537 O HOH B1180 -20.023 28.962 31.409 1.00 55.12 O HETATM 3538 O HOH B1181 -0.431 6.762 7.344 1.00 56.90 O HETATM 3539 O HOH B1182 -11.717 16.346 25.233 1.00 42.49 O HETATM 3540 O HOH B1183 6.941 32.677 37.672 1.00 53.55 O HETATM 3541 O HOH B1184 0.846 35.107 19.972 1.00 70.47 O HETATM 3542 O HOH B1185 3.383 36.781 41.734 1.00 80.23 O HETATM 3543 O HOH B1186 -1.973 24.874 4.313 1.00 53.68 O HETATM 3544 O HOH B1187 1.639 37.514 28.982 1.00 36.77 O HETATM 3545 O HOH B1188 4.759 38.599 31.819 1.00 51.07 O HETATM 3546 O HOH B1189 -8.873 4.072 10.502 1.00 73.06 O HETATM 3547 O HOH B1190 -4.713 36.610 24.429 1.00 44.14 O HETATM 3548 O HOH B1191 -1.427 36.114 14.132 1.00 76.27 O HETATM 3549 O HOH B1192 9.178 15.237 11.496 1.00 47.92 O HETATM 3550 O HOH B1193 8.646 30.910 36.884 1.00 59.55 O HETATM 3551 O HOH B1194 -21.165 12.891 5.660 1.00 49.97 O HETATM 3552 O HOH B1195 -10.061 32.690 22.664 1.00 42.79 O HETATM 3553 O HOH B1196 2.992 10.648 16.516 1.00 56.01 O HETATM 3554 O HOH B1197 -8.111 40.058 35.907 1.00 52.54 O HETATM 3555 O HOH B1198 2.546 16.679 4.151 1.00 59.95 O HETATM 3556 O HOH B1199 -7.747 20.079 4.145 1.00 51.83 O HETATM 3557 O HOH B1200 -13.532 10.476 23.328 1.00 65.19 O HETATM 3558 O HOH B1201 -4.822 26.184 4.431 1.00 69.28 O HETATM 3559 O HOH B1202 10.988 28.927 31.274 1.00 59.76 O HETATM 3560 O HOH B1203 -4.600 6.338 18.077 1.00 53.64 O HETATM 3561 O HOH B1204 0.944 31.816 46.452 1.00 55.31 O HETATM 3562 O HOH B1205 -11.833 32.329 20.119 1.00 38.77 O HETATM 3563 O HOH B1206 -20.124 12.329 -1.828 1.00 53.63 O HETATM 3564 O HOH B1207 -3.962 8.955 25.165 1.00 58.07 O HETATM 3565 O HOH B1208 8.965 30.088 32.977 1.00 47.95 O HETATM 3566 O HOH B1209 -9.395 20.762 31.459 1.00 32.64 O HETATM 3567 O HOH B1210 -3.197 16.652 5.235 1.00 31.11 O HETATM 3568 O HOH B1211 -4.307 39.088 29.605 1.00 52.38 O HETATM 3569 O HOH B1212 -12.574 31.302 8.741 1.00 49.19 O HETATM 3570 O HOH B1213 7.746 21.630 3.113 1.00 60.29 O HETATM 3571 O HOH B1214 -2.862 14.704 27.170 1.00 53.98 O HETATM 3572 O HOH B1215 -15.538 13.972 18.416 1.00 59.14 O HETATM 3573 O HOH B1216 1.215 37.697 26.510 1.00 61.13 O HETATM 3574 O HOH B1217 -14.266 30.631 13.096 1.00 49.01 O HETATM 3575 O HOH B1218 -5.393 14.400 31.249 1.00 64.39 O HETATM 3576 O HOH B1219 -3.567 19.125 4.250 1.00 50.70 O HETATM 3577 O HOH B1220 -4.925 16.478 28.901 1.00 55.24 O HETATM 3578 O HOH B1221 14.991 36.470 28.247 1.00 37.77 O HETATM 3579 O HOH B1222 -3.246 14.031 3.875 1.00 49.74 O HETATM 3580 O HOH B1223 6.255 39.678 33.883 1.00 57.97 O HETATM 3581 O HOH B1224 -0.888 15.753 27.866 1.00 38.77 O HETATM 3582 O HOH B1225 -17.284 29.000 25.562 1.00 51.69 O HETATM 3583 O HOH B1226 16.215 26.755 20.071 1.00 45.18 O HETATM 3584 O HOH B1227 -2.153 36.450 23.048 1.00 52.88 O HETATM 3585 O HOH B1228 -0.104 13.563 6.904 1.00 47.07 O HETATM 3586 O HOH B1229 -0.265 18.350 27.507 1.00 24.89 O HETATM 3587 O HOH B1230 13.161 31.966 27.980 1.00 31.78 O HETATM 3588 O HOH B1231 -9.968 20.894 35.712 1.00 41.16 O HETATM 3589 O HOH B1232 -14.578 33.883 23.981 1.00 58.79 O HETATM 3590 O HOH B1233 -2.024 8.940 27.430 1.00 56.83 O HETATM 3591 O HOH B1234 14.212 46.255 17.730 1.00 60.50 O HETATM 3592 O HOH B1235 -5.940 33.085 23.443 1.00 41.47 O HETATM 3593 O HOH B1236 -0.088 35.336 0.502 1.00118.84 O HETATM 3594 O HOH B1237 -16.805 31.463 16.035 1.00 51.59 O HETATM 3595 O HOH B1238 3.625 30.661 4.038 1.00 49.56 O HETATM 3596 O HOH B1239 -9.985 21.856 3.771 1.00 62.51 O HETATM 3597 O HOH B1240 -7.599 8.045 22.702 1.00 44.91 O HETATM 3598 O HOH B1241 6.280 12.993 12.848 1.00 57.67 O HETATM 3599 O HOH B1242 -4.178 28.615 4.828 1.00 59.33 O HETATM 3600 O HOH B1243 4.206 10.610 8.080 1.00 67.34 O HETATM 3601 O HOH B1244 -1.404 40.841 30.788 1.00 78.81 O HETATM 3602 O HOH B1245 -7.688 32.931 21.379 1.00 32.03 O HETATM 3603 O HOH B1246 -1.423 20.356 3.843 1.00 44.50 O HETATM 3604 O HOH B1247 -9.482 20.118 26.650 1.00 43.27 O HETATM 3605 O HOH B1248 -8.867 22.727 26.616 1.00 26.41 O HETATM 3606 O HOH B1249 14.642 45.131 21.312 1.00 47.46 O HETATM 3607 O HOH B1250 -20.745 6.609 17.580 1.00 69.09 O HETATM 3608 O HOH B1251 -3.001 8.778 21.487 1.00 51.87 O HETATM 3609 O HOH B1252 -22.769 11.243 1.287 1.00 61.23 O HETATM 3610 O HOH B1253 0.739 18.498 5.472 1.00 39.41 O HETATM 3611 O HOH B1254 -9.855 34.133 16.966 1.00 45.61 O HETATM 3612 O HOH B1255 -1.547 40.034 41.039 1.00 56.30 O HETATM 3613 O HOH B1256 18.215 31.025 19.090 1.00 75.17 O HETATM 3614 O HOH B1257 -11.492 19.639 24.362 1.00 47.92 O HETATM 3615 O HOH B1258 8.871 36.542 36.481 1.00 65.86 O HETATM 3616 O HOH B1259 7.926 35.082 38.916 1.00 74.69 O HETATM 3617 O HOH B1260 -4.863 6.608 20.626 1.00 54.71 O HETATM 3618 O HOH B1261 -10.739 34.974 14.453 1.00 71.21 O HETATM 3619 O HOH B1262 19.632 12.842 7.009 1.00 53.69 O HETATM 3620 O HOH B1263 -12.604 35.476 20.231 1.00 56.29 O HETATM 3621 O HOH B1264 -12.985 21.520 27.939 1.00 54.14 O HETATM 3622 O HOH B1265 -7.952 7.510 25.753 1.00 58.22 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3022 3023 3027 CONECT 3023 3022 3024 CONECT 3024 3023 3025 CONECT 3025 3024 3026 3028 CONECT 3026 3025 3027 CONECT 3027 3022 3026 CONECT 3028 3025 3029 CONECT 3029 3028 3030 CONECT 3030 3029 3031 3032 3033 CONECT 3031 3030 CONECT 3032 3030 CONECT 3033 3030 CONECT 3034 3035 3036 CONECT 3035 3034 CONECT 3036 3034 3037 CONECT 3037 3036 CONECT 3038 1578 1600 1743 1771 CONECT 3039 1680 1701 1881 1906 CONECT 3040 3041 3042 CONECT 3041 3040 CONECT 3042 3040 3043 CONECT 3043 3042 END