USER MOD reduce.3.24.130724 H: found=0, std=0, add=1904, rem=0, adj=97 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 26-SEP-05 2C26 TITLE STRUCTURAL BASIS FOR THE PROMISCUOUS SPECIFICITY OF THE TITLE 2 CARBOHYDRATE-BINDING MODULES FROM THE BETA-SANDWICH SUPER TITLE 3 FAMILY COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDOGLUCANASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PKD AND CBM44 DOMAINS, 1353-1601; COMPND 5 SYNONYM: CEL44A; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: CONTAINS 2 CALCIUM IONS SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; SOURCE 3 ORGANISM_TAXID: 1515; SOURCE 4 STRAIN: YS; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET21A KEYWDS HYDROLASE, CELLULASE CTCEL9D-CEL44A, PKD DOMAIN, CBM44, CARBOHYDRATE KEYWDS 2 BINDING MODULE, BETA-SANDWICH PROTEINS, CELLULOSOME EXPDTA X-RAY DIFFRACTION AUTHOR S.NAJMUDIN,C.I.P.D.GUERREIRO,A.L.CARVALHO,D.N.BOLAM,J.A.M.PRATES, AUTHOR 2 M.A.S.CORREIA,V.D.ALVES,L.M.A.FERREIRA,M.J.ROMAO,H.J.GILBERT, AUTHOR 3 C.M.G.A.FONTES REVDAT 6 13-JUL-11 2C26 1 VERSN REVDAT 5 24-FEB-09 2C26 1 VERSN REVDAT 4 05-APR-06 2C26 1 REMARK REVDAT 3 29-MAR-06 2C26 1 JRNL REVDAT 2 07-DEC-05 2C26 1 JRNL REVDAT 1 18-OCT-05 2C26 0 JRNL AUTH S.NAJMUDIN,C.I.P.D.GUERREIRO,A.L.CARVALHO,J.A.M.PRATES, JRNL AUTH 2 M.A.S.CORREIA,V.D.ALVES,L.M.A.FERREIRA,M.J.ROMAO, JRNL AUTH 3 H.J.GILBERT,D.N.BOLAM,C.M.G.A.FONTES JRNL TITL XYLOGLUCAN IS RECOGNIZED BY CARBOHYDRATE-BINDING MODULES JRNL TITL 2 THAT INTERACT WITH BETA-GLUCAN CHAINS. JRNL REF J.BIOL.CHEM. V. 281 8815 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16314409 JRNL DOI 10.1074/JBC.M510559200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.NAJMUDIN,C.I.P.D.GUERREIRO,C.M.G.A.FONTES,L.M.A.FERREIRA, REMARK 1 AUTH 2 M.J.ROMAO,J.A.M.PRATES REMARK 1 TITL OVEREXPRESSION, PURIFICATION AND CRYSTALLIZATION OF THE TWO REMARK 1 TITL 2 C-TERMINAL DOMAINS OF THE BIFUNCTIONAL CELLULASE REMARK 1 TITL 3 CTCEL9D-CEL44A FROM CLOSTRIDIUM THERMOCELLUM. REMARK 1 REF ACTA CRYSTALLOGR.,SECT.F V. 61 1043 2005 REMARK 1 REFN ISSN 1744-3091 REMARK 1 PMID 16511230 REMARK 1 DOI 10.1107/S1744309105035670 REMARK 2 REMARK 2 RESOLUTION. 2.1 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 66.67 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 22667 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) : 0.176 REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1207 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.15 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1566 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3070 REMARK 3 BIN FREE R VALUE SET COUNT : 78 REMARK 3 BIN FREE R VALUE : 0.3580 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1936 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 50 REMARK 3 SOLVENT ATOMS : 382 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 45.01 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 45.41 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.18000 REMARK 3 B22 (A**2) : 0.18000 REMARK 3 B33 (A**2) : -0.36000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.158 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.152 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.113 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.858 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2024 ; 0.010 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2749 ; 1.239 ; 1.939 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 249 ; 6.930 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 86 ;36.942 ;26.047 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 298 ;14.188 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 2 ;16.758 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 308 ; 0.081 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1523 ; 0.004 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 903 ; 0.198 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1349 ; 0.301 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 278 ; 0.163 ; 0.200 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): 65 ; 0.231 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 39 ; 0.183 ; 0.200 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): 1278 ; 0.523 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2030 ; 0.862 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 884 ; 1.199 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 719 ; 1.900 ; 4.500 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 : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 2 A 93 REMARK 3 ORIGIN FOR THE GROUP (A): 7.5178 44.3192 11.3514 REMARK 3 T TENSOR REMARK 3 T11: -0.0494 T22: -0.0052 REMARK 3 T33: -0.0735 T12: -0.0594 REMARK 3 T13: 0.0714 T23: -0.0536 REMARK 3 L TENSOR REMARK 3 L11: 1.7346 L22: 1.5011 REMARK 3 L33: 2.4099 L12: -0.8601 REMARK 3 L13: 1.5264 L23: -0.7105 REMARK 3 S TENSOR REMARK 3 S11: -0.0126 S12: 0.0907 S13: 0.0241 REMARK 3 S21: -0.0029 S22: 0.1298 S23: -0.1349 REMARK 3 S31: -0.1530 S32: 0.1329 S33: -0.1172 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 94 A 251 REMARK 3 ORIGIN FOR THE GROUP (A): 41.1413 20.8209 8.6931 REMARK 3 T TENSOR REMARK 3 T11: -0.0695 T22: -0.0514 REMARK 3 T33: -0.0264 T12: 0.0313 REMARK 3 T13: -0.0660 T23: -0.1074 REMARK 3 L TENSOR REMARK 3 L11: 1.5496 L22: 3.4969 REMARK 3 L33: 1.9957 L12: 0.2912 REMARK 3 L13: 0.4638 L23: 1.3538 REMARK 3 S TENSOR REMARK 3 S11: -0.1863 S12: -0.2375 S13: 0.3316 REMARK 3 S21: -0.2079 S22: 0.0812 S23: 0.0855 REMARK 3 S31: -0.2096 S32: -0.0900 S33: 0.1051 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 REMARK 3 RIDING POSITIONS. REMARK 4 REMARK 4 2C26 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25750. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAY-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 4.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-4 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.2915 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23914 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 61.900 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.300 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 6.100 REMARK 200 R MERGE (I) : 0.07000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.21 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.7 REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 REMARK 200 R MERGE FOR SHELL (I) : 0.72000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHELXD REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.6 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M NA ACETATE,PH 4.5, 0.2M REMARK 280 CACL2, 20% ISOPROPANOL, 10MM CDCL2 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 51.59450 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 43.73450 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 43.73450 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 77.39175 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 43.73450 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 43.73450 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 25.79725 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 43.73450 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 43.73450 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 77.39175 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 43.73450 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 43.73450 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 25.79725 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 51.59450 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PQS 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 BIOMT1 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -3 REMARK 465 ALA A -2 REMARK 465 SER A -1 REMARK 465 VAL A 1 REMARK 465 HIS A 252 REMARK 465 HIS A 253 REMARK 465 HIS A 254 REMARK 465 HIS A 255 REMARK 465 HIS A 256 REMARK 465 HIS A 257 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 OE1 GLU A 3 O HOH A 2006 2.15 REMARK 500 OE2 GLU A 3 O HOH A 2010 1.81 REMARK 500 O HOH A 2005 O HOH A 2007 0.16 REMARK 500 O HOH A 2006 O HOH A 2008 0.83 REMARK 500 O HOH A 2192 O HOH A 2196 1.80 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 A 2053 O HOH A 2291 6455 2.11 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 GLU A 3 -51.20 -163.57 REMARK 500 ASP A 17 67.41 -119.36 REMARK 500 ASP A 21 15.89 57.85 REMARK 500 PRO A 174 48.75 -75.39 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 ASP A 152 GLY A 153 31.61 REMARK 500 REMARK 500 REMARK: NULL 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 CA A 301 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 4 OD1 REMARK 620 2 GLN A 5 O 80.3 REMARK 620 3 ASP A 76 OD2 86.3 84.1 REMARK 620 4 ASP A 35 OD1 93.4 90.0 174.1 REMARK 620 5 ASP A 33 OD1 162.9 82.6 91.8 86.8 REMARK 620 6 ASP A 33 OD2 144.4 135.3 95.0 88.7 52.6 REMARK 620 7 HOH A2171 O 68.9 147.7 84.3 101.1 127.8 75.8 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 302 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 245 OD1 REMARK 620 2 ASN A 101 O 80.0 REMARK 620 3 ASP A 96 OD2 88.1 85.4 REMARK 620 4 LYS A 130 O 125.3 151.0 81.9 REMARK 620 5 ASP A 245 OD2 50.9 130.7 96.1 76.8 REMARK 620 6 GLU A 103 OE2 152.8 75.0 100.3 81.7 150.8 REMARK 620 7 ARG A 133 O 84.6 87.8 170.8 106.8 83.7 83.9 REMARK 620 N 1 2 3 4 5 6 REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 403 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 404 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 405 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 406 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 407 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 408 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 411 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 412 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1WMX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FAMILY 30 CARBOHYDRATE REMARK 900 BINDING MODULE REMARK 900 RELATED ID: 1WZX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF FAMILY 30 CARBOHYDRATE REMARK 900 BINDING MODULE. REMARK 900 RELATED ID: 2C24 RELATED DB: PDB REMARK 900 FAMILY 30 CARBOHYDRATE-BINDING MODULE OF REMARK 900 CELLULOSOMAL CELLULASE CEL9D-CEL44B OF REMARK 900 CLOSTRIDIUM THERMOCELLUM REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE START IN FULL PROTEIN CORRESPONDS TO RESIDUE REMARK 999 NUMBER 1353 AT VAL. THE ALA1394VAL CONFLICT SHOWN REMARK 999 WAS INTRODUCED DURING THE CLONING PROCEDURE. DBREF 2C26 A -3 -1 PDB 2C26 2C26 -3 -1 DBREF 2C26 A 1 249 UNP P71140 P71140_CLOTM 1353 1601 DBREF 2C26 A 250 257 PDB 2C26 2C26 250 257 SEQADV 2C26 VAL A 42 UNP P71140 ALA 1394 CONFLICT SEE REMARK 999 SEQRES 1 A 260 MET ALA SER VAL PRO GLU ASN GLN ALA PRO LYS ALA ILE SEQRES 2 A 260 PHE THR PHE SER PRO GLU ASP PRO VAL THR ASP GLU ASN SEQRES 3 A 260 VAL VAL PHE ASN ALA SER ASN SER ILE ASP GLU ASP GLY SEQRES 4 A 260 THR ILE ALA TYR TYR VAL TRP ASP PHE GLY ASP GLY TYR SEQRES 5 A 260 GLU GLY THR SER THR THR PRO THR ILE THR TYR LYS TYR SEQRES 6 A 260 LYS ASN PRO GLY THR TYR LYS VAL LYS LEU ILE VAL THR SEQRES 7 A 260 ASP ASN GLN GLY ALA SER SER SER PHE THR ALA THR ILE SEQRES 8 A 260 LYS VAL THR SER ALA THR GLY ASP ASN SER LYS PHE ASN SEQRES 9 A 260 PHE GLU ASP GLY THR LEU GLY GLY PHE THR THR SER GLY SEQRES 10 A 260 THR ASN ALA THR GLY VAL VAL VAL ASN THR THR GLU LYS SEQRES 11 A 260 ALA PHE LYS GLY GLU ARG GLY LEU LYS TRP THR VAL THR SEQRES 12 A 260 SER GLU GLY GLU GLY THR ALA GLU LEU LYS LEU ASP GLY SEQRES 13 A 260 GLY THR ILE VAL VAL PRO GLY THR THR MET THR PHE ARG SEQRES 14 A 260 ILE TRP ILE PRO SER GLY ALA PRO ILE ALA ALA ILE GLN SEQRES 15 A 260 PRO TYR ILE MET PRO HIS THR PRO ASP TRP SER GLU VAL SEQRES 16 A 260 LEU TRP ASN SER THR TRP LYS GLY TYR THR MET VAL LYS SEQRES 17 A 260 THR ASP ASP TRP ASN GLU ILE THR LEU THR LEU PRO GLU SEQRES 18 A 260 ASP VAL ASP PRO THR TRP PRO GLN GLN MET GLY ILE GLN SEQRES 19 A 260 VAL GLN THR ILE ASP GLU GLY GLU PHE THR ILE TYR VAL SEQRES 20 A 260 ASP ALA ILE ASP TRP LEU GLU HIS HIS HIS HIS HIS HIS HET CA A 301 1 HET CA A 302 1 HET EDO A 401 4 HET EDO A 402 4 HET EDO A 403 4 HET EDO A 404 4 HET EDO A 405 4 HET EDO A 406 4 HET EDO A 407 4 HET EDO A 408 4 HET EDO A 409 4 HET EDO A 410 4 HET EDO A 411 4 HET EDO A 412 4 HETNAM CA CALCIUM ION HETNAM EDO 1,2-ETHANEDIOL FORMUL 2 CA 2(CA 2+) FORMUL 4 EDO 12(C2 H6 O2) FORMUL 16 HOH *382(H2 O) HELIX 1 1 THR A 202 VAL A 204 5 3 SHEET 1 AA 3 THR A 12 SER A 14 0 SHEET 2 AA 3 VAL A 24 ASN A 27 -1 O VAL A 25 N SER A 14 SHEET 3 AA 3 THR A 57 TYR A 60 -1 O ILE A 58 N PHE A 26 SHEET 1 AB 4 GLU A 50 SER A 53 0 SHEET 2 AB 4 ILE A 38 ASP A 44 -1 O TYR A 41 N SER A 53 SHEET 3 AB 4 GLY A 66 ASP A 76 -1 O LYS A 71 N ASP A 44 SHEET 4 AB 4 SER A 81 VAL A 90 -1 O SER A 82 N VAL A 74 SHEET 1 AC 5 THR A 111 THR A 124 0 SHEET 2 AC 5 GLY A 134 ASP A 152 -1 O GLY A 134 N THR A 124 SHEET 3 AC 5 GLN A 226 ASP A 248 -1 O MET A 228 N LEU A 151 SHEET 4 AC 5 THR A 162 ILE A 169 -1 O THR A 164 N ASP A 248 SHEET 5 AC 5 ASP A 208 THR A 215 -1 O ASP A 208 N ILE A 169 SHEET 1 AD 4 THR A 111 THR A 124 0 SHEET 2 AD 4 GLY A 134 ASP A 152 -1 O GLY A 134 N THR A 124 SHEET 3 AD 4 GLN A 226 ASP A 248 -1 O MET A 228 N LEU A 151 SHEET 4 AD 4 ILE A 175 PRO A 184 -1 N ALA A 176 O GLN A 233 LINK CA CA A 301 OD1 ASN A 4 1555 1555 2.46 LINK CA CA A 301 O GLN A 5 1555 1555 2.40 LINK CA CA A 301 OD2 ASP A 76 1555 1555 2.44 LINK CA CA A 301 OD1 ASP A 35 1555 1555 2.42 LINK CA CA A 301 OD1 ASP A 33 1555 1555 2.45 LINK CA CA A 301 OD2 ASP A 33 1555 1555 2.47 LINK CA CA A 301 O HOH A2171 1555 1555 2.56 LINK CA CA A 302 O ASN A 101 1555 1555 2.40 LINK CA CA A 302 OD2 ASP A 96 1555 1555 2.50 LINK CA CA A 302 O LYS A 130 1555 1555 2.46 LINK CA CA A 302 OD2 ASP A 245 1555 1555 2.52 LINK CA CA A 302 OE2 GLU A 103 1555 1555 2.50 LINK CA CA A 302 O ARG A 133 1555 1555 2.33 LINK CA CA A 302 OD1 ASP A 245 1555 1555 2.58 CISPEP 1 SER A 14 PRO A 15 0 0.14 SITE *** AC1 6 ASN A 4 GLN A 5 ASP A 33 ASP A 35 SITE *** AC1 6 ASP A 76 HOH A2171 SITE *** AC2 6 ASP A 96 ASN A 101 GLU A 103 LYS A 130 SITE *** AC2 6 ARG A 133 ASP A 245 SITE *** AC3 8 ILE A 73 SER A 81 SER A 82 SER A 190 SITE *** AC3 8 GLU A 191 HOH A2159 HOH A2368 HOH A2369 SITE *** AC4 4 PHE A 100 ASN A 101 PHE A 102 ASP A 104 SITE *** AC5 6 ILE A 10 GLY A 48 TYR A 49 GLU A 50 SITE *** AC5 6 TRP A 189 HOH A2371 SITE *** AC6 6 GLN A 5 SER A 53 THR A 54 THR A 55 SITE *** AC6 6 THR A 57 HOH A2372 SITE *** AC7 4 GLN A 5 ALA A 6 GLU A 50 HOH A2381 SITE *** AC8 8 LYS A 8 ASP A 47 LYS A 61 TYR A 62 SITE *** AC8 8 LYS A 63 THR A 115 EDO A 409 HOH A2373 SITE *** AC9 3 THR A 12 ASN A 27 SER A 29 SITE *** BC1 7 ALA A 39 TYR A 40 TYR A 41 THR A 52 SITE *** BC1 7 SER A 53 THR A 54 HOH A2375 SITE *** BC2 7 ASP A 21 ILE A 32 LYS A 61 EDO A 406 SITE *** BC2 7 HOH A2094 HOH A2376 HOH A2377 SITE *** BC3 6 ASP A 44 GLY A 46 LYS A 69 LYS A 71 SITE *** BC3 6 HOH A2378 HOH A2380 SITE *** BC4 10 PRO A 7 LYS A 8 ALA A 9 SER A 82 SITE *** BC4 10 SER A 83 TRP A 189 SER A 190 VAL A 192 SITE *** BC4 10 HOH A2381 HOH A2382 SITE *** BC5 6 LEU A 107 THR A 112 VAL A 120 VAL A 121 SITE *** BC5 6 ASP A 219 HOH A2217 CRYST1 87.469 87.469 103.189 90.00 90.00 90.00 P 43 21 2 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 0.011433 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011433 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009691 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 : A 4 ASNHD21 : A 4 ASN OD1 : A 301 CACA :(metal ligand) USER MOD NoAdj : A 4 ASNHD22 : A 4 ASN OD1 : A 301 CACA :(metal ligand) USER MOD Set 1.1: A 406 EDO O1 : rot -153:sc= 1.01 USER MOD Set 1.2: A 409 EDO O1 : rot 180:sc= 0.829 USER MOD Set 2.1: A 12 THR OG1 : rot -113:sc= 1.17 USER MOD Set 2.2: A 407 EDO O1 : rot -162:sc= 1.01 USER MOD Set 3.1: A 5 GLN : amide:sc= -0.437 K(o=-0.24,f=0.4) USER MOD Set 3.2: A 405 EDO O2 : rot -151:sc= 0.198 USER MOD Set 4.1: A 181 TYR OH : rot 15:sc= 1.13 USER MOD Set 4.2: A 227 GLN : amide:sc= 1.94 K(o=3.1,f=1.7) USER MOD Set 5.1: A 162 THR OG1 : rot 180:sc= 1.02 USER MOD Set 5.2: A 215 THR OG1 : rot -84:sc= 1.19 USER MOD Set 6.1: A 179 GLN : amide:sc= 1.68 K(o=2.9,f=-2.4) USER MOD Set 6.2: A 196 SER OG : rot 139:sc= 1.32 USER MOD Set 6.3: A 231 GLN : amide:sc= -0.103 K(o=2.9,f=-2.4) USER MOD Set 7.1: A 186 THR OG1 : rot 119:sc= 1.3 USER MOD Set 7.2: A 190 SER OG : rot -78:sc= 1.23 USER MOD Set 8.1: A 113 SER OG : rot 74:sc= 0.266 USER MOD Set 8.2: A 150 LYS NZ :NH3+ -171:sc= 0.97 (180deg=0.587) USER MOD Set 9.1: A 138 THR OG1 : rot -74:sc= 0.0984 USER MOD Set 9.2: A 241 THR OG1 : rot 180:sc= 0.0909 USER MOD Set10.1: A 55 THR OG1 : rot -79:sc= 0.845 USER MOD Set10.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set10.3: A 404 EDO O1 : rot -26:sc= 0.804 USER MOD Set11.1: A 54 THR OG1 : rot 180:sc= 0.1 USER MOD Set11.2: A 404 EDO O2 : rot -96:sc= 0.882 USER MOD Set12.1: A 52 THR OG1 : rot 120:sc= 0.591 USER MOD Set12.2: A 408 EDO O2 : rot -33:sc= 0.534 USER MOD Set13.1: A 27 ASN : amide:sc= 0.528 K(o=1.9,f=-7.3!) USER MOD Set13.2: A 29 SER OG : rot -85:sc= 1.34 USER MOD Set14.1: A 23 ASN : amide:sc= -0.161 K(o=0.013,f=-4.9) USER MOD Set14.2: A 61 LYS NZ :NH3+ -152:sc= 0.174 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= 0.0318 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 30 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.14) USER MOD Single : A 31 SER OG : rot 80:sc= 0.231 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 30:sc= 1.08 USER MOD Single : A 49 TYR OH : rot 30:sc= 0.357 USER MOD Single : A 53 SER OG : rot 102:sc= 1.39 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 168:sc= 1.28 USER MOD Single : A 62 TYR OH : rot -4:sc= 1.02 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 1.17 (180deg=1.02) USER MOD Single : A 64 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -168:sc= 2.11 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.128 (180deg=-0.506) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 126:sc= 1.43 USER MOD Single : A 77 ASN : amide:sc= 1.48 K(o=1.5,f=-4.5!) USER MOD Single : A 78 GLN : amide:sc= 1.2 K(o=1.2,f=0.64) USER MOD Single : A 81 SER OG : rot 180:sc= -0.262 USER MOD Single : A 82 SER OG : rot 147:sc= 1.24 USER MOD Single : A 83 SER OG : rot 85:sc= 1.17 USER MOD Single : A 85 THR OG1 : rot 80:sc= 0.818 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -88:sc= 0.296 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1 K(o=-1,f=-0.0051) USER MOD Single : A 98 SER OG : rot 93:sc= 1.41 USER MOD Single : A 99 LYS NZ :NH3+ -144:sc= 0.151 (180deg=-0.0928) USER MOD Single : A 101 ASN : amide:sc= 0.806 K(o=0.81,f=-3.7!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 162:sc= 0.652 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -2.52! K(o=-2.5!,f=-0.077) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.024 K(o=0.024,f=-8.4!) USER MOD Single : A 124 THR OG1 : rot 170:sc= 0.218 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -176:sc= 0.519 (180deg=0.514) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot -160:sc= 0.00259 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 49:sc= 0.0744 USER MOD Single : A 161 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 163 MET CE :methyl -110:sc= -0.0854 (180deg=-0.185) USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot -114:sc= 0.957 USER MOD Single : A 183 MET CE :methyl 164:sc= -0.0652 (180deg=-0.489) USER MOD Single : A 185 HIS : no HE2:sc= 1.34 K(o=1.5,f=-6.8!) USER MOD Single : A 195 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.3) USER MOD Single : A 197 THR OG1 : rot 173:sc= 1.32 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 10:sc= 1.4 USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 MET CE :methyl -141:sc= -2.84! (180deg=-5.74!) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 210 ASN : amide:sc= 1.48 K(o=1.5,f=-5.8!) USER MOD Single : A 213 THR OG1 : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 226 GLN : amide:sc= 1.7 K(o=1.7,f=-4.9!) USER MOD Single : A 228 MET CE :methyl 176:sc= -0.556 (180deg=-0.589) USER MOD Single : A 233 GLN : amide:sc=-0.00628 X(o=-0.0063,f=-0.24) USER MOD Single : A 234 THR OG1 : rot 90:sc= 0.39 USER MOD Single : A 243 TYR OH : rot 169:sc= 0.441 USER MOD Single : A 401 EDO O1 : rot 180:sc= 0 USER MOD Single : A 401 EDO O2 : rot 180:sc= 0 USER MOD Single : A 402 EDO O1 : rot -32:sc= 0.237 USER MOD Single : A 402 EDO O2 : rot -139:sc= 0.124 USER MOD Single : A 403 EDO O1 : rot 180:sc= 0 USER MOD Single : A 403 EDO O2 : rot 35:sc= 0.643 USER MOD Single : A 405 EDO O1 : rot 180:sc= 0 USER MOD Single : A 406 EDO O2 : rot -101:sc= 2.3 USER MOD Single : A 407 EDO O2 : rot 180:sc= 0 USER MOD Single : A 408 EDO O1 : rot -119:sc= 1.43 USER MOD Single : A 409 EDO O2 : rot 176:sc= 0.896 USER MOD Single : A 410 EDO O1 : rot 150:sc= 1.28 USER MOD Single : A 410 EDO O2 : rot 180:sc= 0 USER MOD Single : A 411 EDO O1 : rot 21:sc= 0.0391 USER MOD Single : A 411 EDO O2 : rot -130:sc= 0.0648 USER MOD Single : A 412 EDO O1 : rot 19:sc= 0.134 USER MOD Single : A 412 EDO O2 : rot 110:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 -15.133 47.219 -6.385 1.00 53.15 N ATOM 2 CA PRO A 2 -14.050 47.486 -5.429 1.00 52.74 C ATOM 3 C PRO A 2 -13.749 48.982 -5.371 1.00 52.20 C ATOM 4 O PRO A 2 -14.212 49.717 -6.248 1.00 52.99 O ATOM 5 CB PRO A 2 -12.870 46.719 -6.021 1.00 52.75 C ATOM 6 CG PRO A 2 -13.485 45.682 -6.936 1.00 53.04 C ATOM 7 CD PRO A 2 -14.712 46.328 -7.482 1.00 53.28 C ATOM 0 HA PRO A 2 -14.261 47.218 -4.521 1.00 52.74 H new ATOM 0 HB2 PRO A 2 -12.278 47.311 -6.511 1.00 52.75 H new ATOM 0 HB3 PRO A 2 -12.340 46.301 -5.325 1.00 52.75 H new ATOM 0 HG2 PRO A 2 -12.873 45.434 -7.646 1.00 53.04 H new ATOM 0 HG3 PRO A 2 -13.702 44.870 -6.451 1.00 53.04 H new ATOM 0 HD2 PRO A 2 -14.526 46.823 -8.295 1.00 53.28 H new ATOM 0 HD3 PRO A 2 -15.396 45.675 -7.697 1.00 53.28 H new ATOM 8 N GLU A 3 -13.054 49.490 -4.334 1.00 47.11 N ATOM 9 CA GLU A 3 -12.791 50.937 -4.224 1.00 45.70 C ATOM 10 C GLU A 3 -11.685 51.350 -3.244 1.00 43.77 C ATOM 11 O GLU A 3 -10.809 52.136 -3.615 1.00 43.71 O ATOM 12 CB GLU A 3 -14.089 51.710 -3.944 1.00 46.49 C ATOM 13 CG GLU A 3 -13.960 53.223 -4.040 1.00 49.21 C ATOM 14 CD GLU A 3 -15.207 53.896 -4.607 1.00 53.65 C ATOM 15 OE1 GLU A 3 -16.062 53.194 -5.204 1.00 55.30 O ATOM 16 OE2 GLU A 3 -15.326 55.140 -4.465 1.00 54.75 O ATOM 0 H GLU A 3 -12.731 49.018 -3.692 1.00 47.11 H new ATOM 0 HA GLU A 3 -12.439 51.181 -5.094 1.00 45.70 H new ATOM 0 HB2 GLU A 3 -14.768 51.415 -4.570 1.00 46.49 H new ATOM 0 HB3 GLU A 3 -14.403 51.480 -3.056 1.00 46.49 H new ATOM 0 HG2 GLU A 3 -13.778 53.583 -3.158 1.00 49.21 H new ATOM 0 HG3 GLU A 3 -13.198 53.442 -4.599 1.00 49.21 H new ATOM 17 N ASN A 4 -11.733 50.869 -1.982 1.00 44.47 N ATOM 18 CA ASN A 4 -10.619 51.141 -1.070 1.00 42.06 C ATOM 19 C ASN A 4 -9.370 50.440 -1.580 1.00 40.58 C ATOM 20 O ASN A 4 -9.414 49.278 -1.988 1.00 40.65 O ATOM 21 CB ASN A 4 -10.913 50.700 0.371 1.00 41.48 C ATOM 22 CG ASN A 4 -9.712 50.895 1.318 1.00 39.80 C ATOM 23 OD1 ASN A 4 -8.984 51.885 1.232 1.00 37.84 O ATOM 24 ND2 ASN A 4 -9.528 49.955 2.248 1.00 37.26 N ATOM 0 H ASN A 4 -12.377 50.403 -1.653 1.00 44.47 H new ATOM 0 HA ASN A 4 -10.485 52.101 -1.050 1.00 42.06 H new ATOM 0 HB2 ASN A 4 -11.670 51.203 0.710 1.00 41.48 H new ATOM 0 HB3 ASN A 4 -11.170 49.765 0.372 1.00 41.48 H new ATOM 0 HD21 ASN A 4 -8.884 50.029 2.813 1.00 37.26 H new ATOM 0 HD22 ASN A 4 -10.054 49.275 2.282 1.00 37.26 H new ATOM 25 N GLN A 5 -8.263 51.164 -1.557 1.00 38.65 N ATOM 26 CA GLN A 5 -6.984 50.610 -1.952 1.00 37.17 C ATOM 27 C GLN A 5 -6.267 50.095 -0.715 1.00 36.44 C ATOM 28 O GLN A 5 -6.205 50.781 0.302 1.00 35.86 O ATOM 29 CB GLN A 5 -6.156 51.679 -2.674 1.00 37.27 C ATOM 30 CG GLN A 5 -4.889 51.164 -3.362 1.00 36.03 C ATOM 31 CD GLN A 5 -4.146 52.276 -4.088 1.00 36.39 C ATOM 32 OE1 GLN A 5 -2.925 52.405 -3.978 1.00 36.49 O ATOM 33 NE2 GLN A 5 -4.884 53.093 -4.813 1.00 31.52 N ATOM 0 H GLN A 5 -8.233 51.988 -1.312 1.00 38.65 H new ATOM 0 HA GLN A 5 -7.113 49.871 -2.566 1.00 37.17 H new ATOM 0 HB2 GLN A 5 -6.717 52.108 -3.339 1.00 37.27 H new ATOM 0 HB3 GLN A 5 -5.904 52.361 -2.032 1.00 37.27 H new ATOM 0 HG2 GLN A 5 -4.303 50.762 -2.702 1.00 36.03 H new ATOM 0 HG3 GLN A 5 -5.125 50.467 -3.994 1.00 36.03 H new ATOM 0 HE21 GLN A 5 -5.734 52.972 -4.866 1.00 31.52 H new ATOM 0 HE22 GLN A 5 -4.516 53.747 -5.233 1.00 31.52 H new ATOM 34 N ALA A 6 -5.735 48.881 -0.801 1.00 35.93 N ATOM 35 CA ALA A 6 -4.982 48.292 0.307 1.00 35.56 C ATOM 36 C ALA A 6 -3.650 49.031 0.488 1.00 35.42 C ATOM 37 O ALA A 6 -3.112 49.587 -0.477 1.00 35.53 O ATOM 38 CB ALA A 6 -4.769 46.786 0.080 1.00 35.22 C ATOM 0 H ALA A 6 -5.798 48.377 -1.495 1.00 35.93 H new ATOM 0 HA ALA A 6 -5.494 48.391 1.125 1.00 35.56 H new ATOM 0 HB1 ALA A 6 -4.269 46.414 0.823 1.00 35.22 H new ATOM 0 HB2 ALA A 6 -5.630 46.343 0.016 1.00 35.22 H new ATOM 0 HB3 ALA A 6 -4.274 46.649 -0.743 1.00 35.22 H new ATOM 39 N PRO A 7 -3.140 49.090 1.737 1.00 35.78 N ATOM 40 CA PRO A 7 -1.869 49.773 2.012 1.00 35.72 C ATOM 41 C PRO A 7 -0.609 49.072 1.477 1.00 36.21 C ATOM 42 O PRO A 7 -0.616 47.865 1.232 1.00 36.48 O ATOM 43 CB PRO A 7 -1.830 49.824 3.541 1.00 35.71 C ATOM 44 CG PRO A 7 -2.673 48.620 3.970 1.00 35.32 C ATOM 45 CD PRO A 7 -3.773 48.572 2.972 1.00 35.31 C ATOM 0 HA PRO A 7 -1.849 50.632 1.563 1.00 35.72 H new ATOM 0 HB2 PRO A 7 -0.922 49.760 3.876 1.00 35.71 H new ATOM 0 HB3 PRO A 7 -2.199 50.655 3.879 1.00 35.71 H new ATOM 0 HG2 PRO A 7 -2.152 47.802 3.963 1.00 35.32 H new ATOM 0 HG3 PRO A 7 -3.016 48.730 4.871 1.00 35.32 H new ATOM 0 HD2 PRO A 7 -4.107 47.669 2.851 1.00 35.31 H new ATOM 0 HD3 PRO A 7 -4.527 49.119 3.244 1.00 35.31 H new ATOM 46 N LYS A 8 0.456 49.854 1.312 1.00 36.05 N ATOM 47 CA LYS A 8 1.797 49.353 1.044 1.00 36.10 C ATOM 48 C LYS A 8 2.424 48.944 2.384 1.00 35.90 C ATOM 49 O LYS A 8 2.502 49.759 3.288 1.00 36.22 O ATOM 50 CB LYS A 8 2.643 50.457 0.369 1.00 35.80 C ATOM 51 CG LYS A 8 4.114 50.082 0.148 1.00 35.74 C ATOM 52 CD LYS A 8 5.030 51.290 -0.090 1.00 36.04 C ATOM 53 CE LYS A 8 4.768 51.959 -1.421 1.00 36.35 C ATOM 54 NZ LYS A 8 5.672 53.128 -1.616 1.00 36.74 N ATOM 0 H LYS A 8 0.415 50.712 1.354 1.00 36.05 H new ATOM 0 HA LYS A 8 1.763 48.590 0.446 1.00 36.10 H new ATOM 0 HB2 LYS A 8 2.244 50.676 -0.488 1.00 35.80 H new ATOM 0 HB3 LYS A 8 2.603 51.258 0.914 1.00 35.80 H new ATOM 0 HG2 LYS A 8 4.434 49.591 0.921 1.00 35.74 H new ATOM 0 HG3 LYS A 8 4.176 49.484 -0.613 1.00 35.74 H new ATOM 0 HD2 LYS A 8 4.903 51.935 0.624 1.00 36.04 H new ATOM 0 HD3 LYS A 8 5.956 51.003 -0.052 1.00 36.04 H new ATOM 0 HE2 LYS A 8 4.899 51.321 -2.139 1.00 36.35 H new ATOM 0 HE3 LYS A 8 3.844 52.249 -1.465 1.00 36.35 H new ATOM 0 HZ1 LYS A 8 5.185 53.867 -1.715 1.00 36.74 H new ATOM 0 HZ2 LYS A 8 6.202 53.215 -0.907 1.00 36.74 H new ATOM 0 HZ3 LYS A 8 6.169 53.001 -2.343 1.00 36.74 H new ATOM 55 N ALA A 9 2.845 47.686 2.502 1.00 35.38 N ATOM 56 CA ALA A 9 3.521 47.172 3.690 1.00 35.13 C ATOM 57 C ALA A 9 4.964 46.793 3.374 1.00 35.06 C ATOM 58 O ALA A 9 5.231 46.035 2.440 1.00 34.78 O ATOM 59 CB ALA A 9 2.774 45.965 4.261 1.00 34.73 C ATOM 0 H ALA A 9 2.744 47.098 1.883 1.00 35.38 H new ATOM 0 HA ALA A 9 3.526 47.877 4.356 1.00 35.13 H new ATOM 0 HB1 ALA A 9 3.238 45.639 5.048 1.00 34.73 H new ATOM 0 HB2 ALA A 9 1.872 46.227 4.504 1.00 34.73 H new ATOM 0 HB3 ALA A 9 2.737 45.262 3.594 1.00 34.73 H new ATOM 60 N ILE A 10 5.887 47.322 4.171 1.00 34.84 N ATOM 61 CA ILE A 10 7.315 47.057 4.028 1.00 34.76 C ATOM 62 C ILE A 10 7.998 47.496 5.316 1.00 35.05 C ATOM 63 O ILE A 10 7.504 48.387 6.002 1.00 34.94 O ATOM 64 CB ILE A 10 7.937 47.784 2.782 1.00 35.09 C ATOM 65 CG1 ILE A 10 9.366 47.281 2.508 1.00 34.84 C ATOM 66 CG2 ILE A 10 7.874 49.319 2.918 1.00 34.47 C ATOM 67 CD1 ILE A 10 9.760 47.335 1.075 1.00 36.75 C ATOM 0 H ILE A 10 5.698 47.853 4.820 1.00 34.84 H new ATOM 0 HA ILE A 10 7.451 46.109 3.875 1.00 34.76 H new ATOM 0 HB ILE A 10 7.397 47.558 2.009 1.00 35.09 H new ATOM 0 HG12 ILE A 10 9.991 47.812 3.026 1.00 34.84 H new ATOM 0 HG13 ILE A 10 9.443 46.366 2.821 1.00 34.84 H new ATOM 0 HG21 ILE A 10 8.266 49.730 2.132 1.00 34.47 H new ATOM 0 HG22 ILE A 10 6.949 49.599 3.001 1.00 34.47 H new ATOM 0 HG23 ILE A 10 8.367 49.595 3.707 1.00 34.47 H new ATOM 0 HD11 ILE A 10 10.667 47.005 0.976 1.00 36.75 H new ATOM 0 HD12 ILE A 10 9.157 46.784 0.552 1.00 36.75 H new ATOM 0 HD13 ILE A 10 9.714 48.252 0.761 1.00 36.75 H new ATOM 68 N PHE A 11 9.100 46.834 5.655 1.00 35.14 N ATOM 69 CA PHE A 11 9.968 47.249 6.748 1.00 35.63 C ATOM 70 C PHE A 11 11.416 46.920 6.448 1.00 36.06 C ATOM 71 O PHE A 11 11.716 46.077 5.593 1.00 36.23 O ATOM 72 CB PHE A 11 9.534 46.665 8.119 1.00 34.97 C ATOM 73 CG PHE A 11 9.731 45.171 8.258 1.00 34.09 C ATOM 74 CD1 PHE A 11 8.726 44.289 7.890 1.00 32.95 C ATOM 75 CD2 PHE A 11 10.913 44.652 8.786 1.00 34.36 C ATOM 76 CE1 PHE A 11 8.895 42.903 8.028 1.00 33.09 C ATOM 77 CE2 PHE A 11 11.095 43.273 8.923 1.00 33.40 C ATOM 78 CZ PHE A 11 10.091 42.401 8.547 1.00 33.90 C ATOM 0 H PHE A 11 9.366 46.123 5.251 1.00 35.14 H new ATOM 0 HA PHE A 11 9.880 48.212 6.820 1.00 35.63 H new ATOM 0 HB2 PHE A 11 10.033 47.112 8.820 1.00 34.97 H new ATOM 0 HB3 PHE A 11 8.597 46.871 8.263 1.00 34.97 H new ATOM 0 HD1 PHE A 11 7.928 44.621 7.547 1.00 32.95 H new ATOM 0 HD2 PHE A 11 11.590 45.232 9.051 1.00 34.36 H new ATOM 0 HE1 PHE A 11 8.215 42.322 7.775 1.00 33.09 H new ATOM 0 HE2 PHE A 11 11.893 42.942 9.268 1.00 33.40 H new ATOM 0 HZ PHE A 11 10.211 41.483 8.639 1.00 33.90 H new ATOM 79 N THR A 12 12.309 47.619 7.143 1.00 36.75 N ATOM 80 CA THR A 12 13.713 47.228 7.235 1.00 37.36 C ATOM 81 C THR A 12 14.032 47.037 8.717 1.00 37.72 C ATOM 82 O THR A 12 13.221 47.385 9.588 1.00 37.93 O ATOM 83 CB THR A 12 14.679 48.288 6.617 1.00 37.32 C ATOM 84 OG1 THR A 12 14.506 49.542 7.289 1.00 37.58 O ATOM 85 CG2 THR A 12 14.411 48.469 5.138 1.00 36.77 C ATOM 0 H THR A 12 12.117 48.337 7.576 1.00 36.75 H new ATOM 0 HA THR A 12 13.846 46.412 6.727 1.00 37.36 H new ATOM 0 HB THR A 12 15.590 47.974 6.729 1.00 37.32 H new ATOM 0 HG1 THR A 12 14.176 50.102 6.757 1.00 37.58 H new ATOM 0 HG21 THR A 12 15.022 49.131 4.777 1.00 36.77 H new ATOM 0 HG22 THR A 12 14.542 47.624 4.679 1.00 36.77 H new ATOM 0 HG23 THR A 12 13.497 48.768 5.009 1.00 36.77 H new ATOM 86 N PHE A 13 15.195 46.467 9.008 1.00 37.93 N ATOM 87 CA PHE A 13 15.615 46.339 10.401 1.00 38.53 C ATOM 88 C PHE A 13 17.113 46.624 10.569 1.00 38.78 C ATOM 89 O PHE A 13 17.868 46.652 9.586 1.00 38.49 O ATOM 90 CB PHE A 13 15.214 44.975 10.993 1.00 38.19 C ATOM 91 CG PHE A 13 15.804 43.791 10.267 1.00 38.55 C ATOM 92 CD1 PHE A 13 17.086 43.349 10.560 1.00 37.91 C ATOM 93 CD2 PHE A 13 15.058 43.103 9.309 1.00 39.24 C ATOM 94 CE1 PHE A 13 17.642 42.257 9.895 1.00 37.83 C ATOM 95 CE2 PHE A 13 15.602 42.005 8.636 1.00 39.19 C ATOM 96 CZ PHE A 13 16.896 41.581 8.930 1.00 39.52 C ATOM 0 H PHE A 13 15.747 46.153 8.428 1.00 37.93 H new ATOM 0 HA PHE A 13 15.141 47.016 10.909 1.00 38.53 H new ATOM 0 HB2 PHE A 13 15.490 44.943 11.922 1.00 38.19 H new ATOM 0 HB3 PHE A 13 14.247 44.900 10.982 1.00 38.19 H new ATOM 0 HD1 PHE A 13 17.583 43.789 11.211 1.00 37.91 H new ATOM 0 HD2 PHE A 13 14.191 43.378 9.116 1.00 39.24 H new ATOM 0 HE1 PHE A 13 18.507 41.980 10.094 1.00 37.83 H new ATOM 0 HE2 PHE A 13 15.101 41.558 7.993 1.00 39.19 H new ATOM 0 HZ PHE A 13 17.261 40.850 8.485 1.00 39.52 H new ATOM 97 N SER A 14 17.521 46.823 11.819 1.00 39.27 N ATOM 98 CA SER A 14 18.885 47.215 12.171 1.00 40.50 C ATOM 99 C SER A 14 19.174 46.783 13.609 1.00 40.80 C ATOM 100 O SER A 14 18.373 47.057 14.492 1.00 40.67 O ATOM 101 CB SER A 14 19.027 48.731 12.062 1.00 40.34 C ATOM 102 OG SER A 14 20.383 49.111 12.105 1.00 43.01 O ATOM 0 H SER A 14 17.004 46.732 12.500 1.00 39.27 H new ATOM 0 HA SER A 14 19.512 46.789 11.566 1.00 40.50 H new ATOM 0 HB2 SER A 14 18.627 49.039 11.234 1.00 40.34 H new ATOM 0 HB3 SER A 14 18.544 49.158 12.787 1.00 40.34 H new ATOM 0 HG SER A 14 20.442 49.947 12.042 1.00 43.01 H new ATOM 103 N PRO A 15 20.316 46.115 13.854 1.00 41.55 N ATOM 104 CA PRO A 15 21.336 45.753 12.863 1.00 42.11 C ATOM 105 C PRO A 15 20.917 44.537 12.030 1.00 42.70 C ATOM 106 O PRO A 15 20.042 43.770 12.453 1.00 42.54 O ATOM 107 CB PRO A 15 22.561 45.438 13.729 1.00 41.99 C ATOM 108 CG PRO A 15 21.984 44.936 15.018 1.00 42.05 C ATOM 109 CD PRO A 15 20.684 45.674 15.216 1.00 41.43 C ATOM 0 HA PRO A 15 21.494 46.455 12.213 1.00 42.11 H new ATOM 0 HB2 PRO A 15 23.128 44.771 13.311 1.00 41.99 H new ATOM 0 HB3 PRO A 15 23.108 46.227 13.869 1.00 41.99 H new ATOM 0 HG2 PRO A 15 21.836 43.978 14.981 1.00 42.05 H new ATOM 0 HG3 PRO A 15 22.591 45.101 15.756 1.00 42.05 H new ATOM 0 HD2 PRO A 15 20.003 45.099 15.600 1.00 41.43 H new ATOM 0 HD3 PRO A 15 20.791 46.428 15.817 1.00 41.43 H new ATOM 110 N GLU A 16 21.528 44.375 10.855 1.00 43.47 N ATOM 111 CA GLU A 16 21.195 43.269 9.946 1.00 44.65 C ATOM 112 C GLU A 16 21.687 41.932 10.488 1.00 44.52 C ATOM 113 O GLU A 16 21.127 40.882 10.160 1.00 44.66 O ATOM 114 CB GLU A 16 21.783 43.480 8.535 1.00 45.24 C ATOM 115 CG GLU A 16 21.800 44.907 8.007 1.00 48.11 C ATOM 116 CD GLU A 16 20.423 45.467 7.641 1.00 52.81 C ATOM 117 OE1 GLU A 16 19.532 44.705 7.159 1.00 53.85 O ATOM 118 OE2 GLU A 16 20.254 46.700 7.826 1.00 54.51 O ATOM 0 H GLU A 16 22.144 44.899 10.562 1.00 43.47 H new ATOM 0 HA GLU A 16 20.227 43.256 9.884 1.00 44.65 H new ATOM 0 HB2 GLU A 16 22.694 43.146 8.534 1.00 45.24 H new ATOM 0 HB3 GLU A 16 21.279 42.933 7.912 1.00 45.24 H new ATOM 0 HG2 GLU A 16 22.203 45.482 8.676 1.00 48.11 H new ATOM 0 HG3 GLU A 16 22.370 44.942 7.223 1.00 48.11 H new ATOM 119 N ASP A 17 22.732 41.985 11.314 1.00 44.46 N ATOM 120 CA ASP A 17 23.349 40.804 11.902 1.00 44.58 C ATOM 121 C ASP A 17 23.277 40.835 13.431 1.00 44.02 C ATOM 122 O ASP A 17 24.312 40.954 14.093 1.00 44.21 O ATOM 123 CB ASP A 17 24.818 40.707 11.448 1.00 45.33 C ATOM 124 CG ASP A 17 25.665 41.917 11.887 1.00 47.84 C ATOM 125 OD1 ASP A 17 25.107 43.042 12.021 1.00 50.29 O ATOM 126 OD2 ASP A 17 26.897 41.737 12.101 1.00 50.29 O ATOM 0 H ASP A 17 23.106 42.722 11.550 1.00 44.46 H new ATOM 0 HA ASP A 17 22.859 40.024 11.597 1.00 44.58 H new ATOM 0 HB2 ASP A 17 25.210 39.896 11.809 1.00 45.33 H new ATOM 0 HB3 ASP A 17 24.848 40.631 10.481 1.00 45.33 H new ATOM 127 N PRO A 18 22.057 40.727 14.010 1.00 43.31 N ATOM 128 CA PRO A 18 21.977 40.839 15.464 1.00 42.74 C ATOM 129 C PRO A 18 22.521 39.615 16.195 1.00 42.07 C ATOM 130 O PRO A 18 22.543 38.508 15.640 1.00 42.02 O ATOM 131 CB PRO A 18 20.464 40.962 15.720 1.00 42.55 C ATOM 132 CG PRO A 18 19.855 40.214 14.606 1.00 42.81 C ATOM 133 CD PRO A 18 20.725 40.515 13.412 1.00 42.96 C ATOM 0 HA PRO A 18 22.509 41.582 15.790 1.00 42.74 H new ATOM 0 HB2 PRO A 18 20.217 40.585 16.579 1.00 42.55 H new ATOM 0 HB3 PRO A 18 20.178 41.889 15.724 1.00 42.55 H new ATOM 0 HG2 PRO A 18 19.832 39.262 14.793 1.00 42.81 H new ATOM 0 HG3 PRO A 18 18.939 40.495 14.453 1.00 42.81 H new ATOM 0 HD2 PRO A 18 20.730 39.781 12.778 1.00 42.96 H new ATOM 0 HD3 PRO A 18 20.418 41.301 12.934 1.00 42.96 H new ATOM 134 N VAL A 19 22.947 39.829 17.435 1.00 41.49 N ATOM 135 CA VAL A 19 23.282 38.737 18.340 1.00 41.09 C ATOM 136 C VAL A 19 22.147 38.545 19.355 1.00 41.08 C ATOM 137 O VAL A 19 21.242 39.385 19.458 1.00 41.03 O ATOM 138 CB VAL A 19 24.664 38.934 19.048 1.00 41.03 C ATOM 139 CG1 VAL A 19 25.825 38.785 18.046 1.00 40.66 C ATOM 140 CG2 VAL A 19 24.740 40.273 19.806 1.00 40.64 C ATOM 0 H VAL A 19 23.050 40.612 17.775 1.00 41.49 H new ATOM 0 HA VAL A 19 23.375 37.930 17.810 1.00 41.09 H new ATOM 0 HB VAL A 19 24.751 38.232 19.711 1.00 41.03 H new ATOM 0 HG11 VAL A 19 26.669 38.911 18.507 1.00 40.66 H new ATOM 0 HG12 VAL A 19 25.801 37.899 17.652 1.00 40.66 H new ATOM 0 HG13 VAL A 19 25.737 39.451 17.347 1.00 40.66 H new ATOM 0 HG21 VAL A 19 25.609 40.357 20.229 1.00 40.64 H new ATOM 0 HG22 VAL A 19 24.613 41.005 19.183 1.00 40.64 H new ATOM 0 HG23 VAL A 19 24.047 40.301 20.484 1.00 40.64 H new ATOM 141 N THR A 20 22.184 37.437 20.088 1.00 40.74 N ATOM 142 CA THR A 20 21.185 37.181 21.118 1.00 40.73 C ATOM 143 C THR A 20 21.159 38.303 22.148 1.00 40.98 C ATOM 144 O THR A 20 22.208 38.888 22.472 1.00 41.31 O ATOM 145 CB THR A 20 21.390 35.815 21.813 1.00 40.55 C ATOM 146 OG1 THR A 20 22.744 35.686 22.239 1.00 40.22 O ATOM 147 CG2 THR A 20 21.074 34.689 20.862 1.00 40.64 C ATOM 0 H THR A 20 22.779 36.822 20.004 1.00 40.74 H new ATOM 0 HA THR A 20 20.326 37.150 20.669 1.00 40.73 H new ATOM 0 HB THR A 20 20.795 35.770 22.578 1.00 40.55 H new ATOM 0 HG1 THR A 20 22.849 34.943 22.617 1.00 40.22 H new ATOM 0 HG21 THR A 20 21.207 33.839 21.311 1.00 40.64 H new ATOM 0 HG22 THR A 20 20.151 34.760 20.571 1.00 40.64 H new ATOM 0 HG23 THR A 20 21.660 34.742 20.091 1.00 40.64 H new ATOM 148 N ASP A 21 19.956 38.607 22.642 1.00 40.81 N ATOM 149 CA ASP A 21 19.709 39.703 23.598 1.00 40.86 C ATOM 150 C ASP A 21 20.134 41.099 23.131 1.00 40.10 C ATOM 151 O ASP A 21 20.251 42.004 23.947 1.00 40.12 O ATOM 152 CB ASP A 21 20.330 39.398 24.974 1.00 41.32 C ATOM 153 CG ASP A 21 19.821 38.097 25.570 1.00 43.47 C ATOM 154 OD1 ASP A 21 18.629 37.767 25.388 1.00 44.36 O ATOM 155 OD2 ASP A 21 20.615 37.398 26.232 1.00 47.18 O ATOM 0 H ASP A 21 19.243 38.175 22.429 1.00 40.81 H new ATOM 0 HA ASP A 21 18.742 39.737 23.666 1.00 40.86 H new ATOM 0 HB2 ASP A 21 21.295 39.354 24.887 1.00 41.32 H new ATOM 0 HB3 ASP A 21 20.133 40.127 25.583 1.00 41.32 H new ATOM 156 N GLU A 22 20.375 41.273 21.835 1.00 39.03 N ATOM 157 CA GLU A 22 20.672 42.599 21.289 1.00 38.81 C ATOM 158 C GLU A 22 19.391 43.232 20.749 1.00 37.90 C ATOM 159 O GLU A 22 18.609 42.556 20.084 1.00 37.79 O ATOM 160 CB GLU A 22 21.738 42.522 20.186 1.00 38.33 C ATOM 161 CG GLU A 22 22.160 43.888 19.651 1.00 38.97 C ATOM 162 CD GLU A 22 23.186 43.819 18.538 1.00 40.11 C ATOM 163 OE1 GLU A 22 23.357 42.745 17.928 1.00 41.70 O ATOM 164 OE2 GLU A 22 23.835 44.856 18.270 1.00 43.20 O ATOM 0 H GLU A 22 20.372 40.639 21.254 1.00 39.03 H new ATOM 0 HA GLU A 22 21.027 43.152 22.003 1.00 38.81 H new ATOM 0 HB2 GLU A 22 22.519 42.063 20.532 1.00 38.33 H new ATOM 0 HB3 GLU A 22 21.396 41.987 19.453 1.00 38.33 H new ATOM 0 HG2 GLU A 22 21.374 44.356 19.327 1.00 38.97 H new ATOM 0 HG3 GLU A 22 22.522 44.414 20.381 1.00 38.97 H new ATOM 165 N ASN A 23 19.174 44.514 21.049 1.00 37.28 N ATOM 166 CA ASN A 23 18.021 45.256 20.506 1.00 36.90 C ATOM 167 C ASN A 23 18.066 45.292 18.986 1.00 36.28 C ATOM 168 O ASN A 23 19.084 45.644 18.408 1.00 36.27 O ATOM 169 CB ASN A 23 18.002 46.709 20.995 1.00 36.83 C ATOM 170 CG ASN A 23 17.433 46.873 22.409 1.00 37.24 C ATOM 171 OD1 ASN A 23 16.759 46.007 22.942 1.00 39.23 O ATOM 172 ND2 ASN A 23 17.694 48.016 22.996 1.00 39.03 N ATOM 0 H ASN A 23 19.681 44.977 21.566 1.00 37.28 H new ATOM 0 HA ASN A 23 17.228 44.791 20.816 1.00 36.90 H new ATOM 0 HB2 ASN A 23 18.906 47.061 20.975 1.00 36.83 H new ATOM 0 HB3 ASN A 23 17.476 47.243 20.379 1.00 36.83 H new ATOM 0 HD21 ASN A 23 17.387 48.175 23.783 1.00 39.03 H new ATOM 0 HD22 ASN A 23 18.173 48.607 22.594 1.00 39.03 H new ATOM 173 N VAL A 24 16.954 44.937 18.357 1.00 36.12 N ATOM 174 CA VAL A 24 16.765 45.100 16.915 1.00 35.89 C ATOM 175 C VAL A 24 15.629 46.084 16.730 1.00 35.83 C ATOM 176 O VAL A 24 14.559 45.923 17.325 1.00 36.14 O ATOM 177 CB VAL A 24 16.365 43.772 16.222 1.00 36.01 C ATOM 178 CG1 VAL A 24 16.203 43.978 14.718 1.00 35.64 C ATOM 179 CG2 VAL A 24 17.384 42.673 16.512 1.00 35.89 C ATOM 0 H VAL A 24 16.277 44.590 18.758 1.00 36.12 H new ATOM 0 HA VAL A 24 17.598 45.402 16.520 1.00 35.89 H new ATOM 0 HB VAL A 24 15.511 43.489 16.585 1.00 36.01 H new ATOM 0 HG11 VAL A 24 15.953 43.138 14.301 1.00 35.64 H new ATOM 0 HG12 VAL A 24 15.511 44.638 14.554 1.00 35.64 H new ATOM 0 HG13 VAL A 24 17.041 44.288 14.342 1.00 35.64 H new ATOM 0 HG21 VAL A 24 17.112 41.854 16.069 1.00 35.89 H new ATOM 0 HG22 VAL A 24 18.255 42.944 16.183 1.00 35.89 H new ATOM 0 HG23 VAL A 24 17.433 42.521 17.469 1.00 35.89 H new ATOM 180 N VAL A 25 15.855 47.100 15.907 1.00 35.45 N ATOM 181 CA VAL A 25 14.823 48.070 15.618 1.00 35.55 C ATOM 182 C VAL A 25 14.240 47.753 14.243 1.00 36.33 C ATOM 183 O VAL A 25 14.946 47.798 13.233 1.00 35.83 O ATOM 184 CB VAL A 25 15.350 49.534 15.722 1.00 35.67 C ATOM 185 CG1 VAL A 25 14.297 50.546 15.248 1.00 35.59 C ATOM 186 CG2 VAL A 25 15.763 49.849 17.163 1.00 35.23 C ATOM 0 H VAL A 25 16.603 47.242 15.507 1.00 35.45 H new ATOM 0 HA VAL A 25 14.120 48.007 16.283 1.00 35.55 H new ATOM 0 HB VAL A 25 16.124 49.610 15.142 1.00 35.67 H new ATOM 0 HG11 VAL A 25 14.654 51.445 15.325 1.00 35.59 H new ATOM 0 HG12 VAL A 25 14.069 50.367 14.322 1.00 35.59 H new ATOM 0 HG13 VAL A 25 13.501 50.467 15.797 1.00 35.59 H new ATOM 0 HG21 VAL A 25 16.089 50.761 17.214 1.00 35.23 H new ATOM 0 HG22 VAL A 25 14.997 49.746 17.749 1.00 35.23 H new ATOM 0 HG23 VAL A 25 16.465 49.240 17.439 1.00 35.23 H new ATOM 187 N PHE A 26 12.951 47.405 14.226 1.00 36.46 N ATOM 188 CA PHE A 26 12.223 47.190 12.971 1.00 36.85 C ATOM 189 C PHE A 26 11.534 48.492 12.578 1.00 37.10 C ATOM 190 O PHE A 26 10.906 49.156 13.409 1.00 37.39 O ATOM 191 CB PHE A 26 11.203 46.056 13.115 1.00 36.08 C ATOM 192 CG PHE A 26 11.821 44.728 13.455 1.00 37.07 C ATOM 193 CD1 PHE A 26 12.021 44.352 14.793 1.00 36.34 C ATOM 194 CD2 PHE A 26 12.222 43.851 12.442 1.00 36.39 C ATOM 195 CE1 PHE A 26 12.602 43.112 15.116 1.00 35.02 C ATOM 196 CE2 PHE A 26 12.807 42.609 12.751 1.00 36.56 C ATOM 197 CZ PHE A 26 12.997 42.246 14.093 1.00 36.02 C ATOM 0 H PHE A 26 12.477 47.288 14.934 1.00 36.46 H new ATOM 0 HA PHE A 26 12.847 46.928 12.276 1.00 36.85 H new ATOM 0 HB2 PHE A 26 10.563 46.292 13.805 1.00 36.08 H new ATOM 0 HB3 PHE A 26 10.707 45.970 12.286 1.00 36.08 H new ATOM 0 HD1 PHE A 26 11.766 44.931 15.475 1.00 36.34 H new ATOM 0 HD2 PHE A 26 12.100 44.092 11.552 1.00 36.39 H new ATOM 0 HE1 PHE A 26 12.723 42.870 16.006 1.00 35.02 H new ATOM 0 HE2 PHE A 26 13.066 42.032 12.069 1.00 36.56 H new ATOM 0 HZ PHE A 26 13.386 41.428 14.302 1.00 36.02 H new ATOM 198 N ASN A 27 11.657 48.858 11.311 1.00 37.26 N ATOM 199 CA ASN A 27 11.231 50.181 10.867 1.00 36.87 C ATOM 200 C ASN A 27 10.323 50.065 9.647 1.00 36.82 C ATOM 201 O ASN A 27 10.784 49.818 8.531 1.00 37.09 O ATOM 202 CB ASN A 27 12.462 51.045 10.564 1.00 36.59 C ATOM 203 CG ASN A 27 12.111 52.497 10.289 1.00 36.79 C ATOM 204 OD1 ASN A 27 11.082 52.799 9.690 1.00 38.45 O ATOM 205 ND2 ASN A 27 12.973 53.408 10.732 1.00 37.51 N ATOM 0 H ASN A 27 11.983 48.358 10.692 1.00 37.26 H new ATOM 0 HA ASN A 27 10.722 50.609 11.574 1.00 36.87 H new ATOM 0 HB2 ASN A 27 13.075 51.002 11.315 1.00 36.59 H new ATOM 0 HB3 ASN A 27 12.928 50.678 9.796 1.00 36.59 H new ATOM 0 HD21 ASN A 27 12.819 54.244 10.603 1.00 37.51 H new ATOM 0 HD22 ASN A 27 13.684 53.161 11.148 1.00 37.51 H new ATOM 206 N ALA A 28 9.029 50.238 9.877 1.00 36.64 N ATOM 207 CA ALA A 28 8.022 50.134 8.820 1.00 36.45 C ATOM 208 C ALA A 28 7.633 51.494 8.230 1.00 35.93 C ATOM 209 O ALA A 28 6.566 51.625 7.639 1.00 36.59 O ATOM 210 CB ALA A 28 6.786 49.405 9.365 1.00 35.55 C ATOM 0 H ALA A 28 8.705 50.420 10.652 1.00 36.64 H new ATOM 0 HA ALA A 28 8.412 49.626 8.092 1.00 36.45 H new ATOM 0 HB1 ALA A 28 6.117 49.335 8.666 1.00 35.55 H new ATOM 0 HB2 ALA A 28 7.038 48.516 9.661 1.00 35.55 H new ATOM 0 HB3 ALA A 28 6.420 49.902 10.113 1.00 35.55 H new ATOM 211 N SER A 29 8.488 52.507 8.381 1.00 35.81 N ATOM 212 CA SER A 29 8.106 53.883 8.025 1.00 35.39 C ATOM 213 C SER A 29 7.899 54.136 6.527 1.00 34.85 C ATOM 214 O SER A 29 7.304 55.144 6.152 1.00 33.69 O ATOM 215 CB SER A 29 9.075 54.908 8.608 1.00 35.59 C ATOM 216 OG SER A 29 10.386 54.629 8.162 1.00 37.93 O ATOM 0 H SER A 29 9.288 52.424 8.685 1.00 35.81 H new ATOM 0 HA SER A 29 7.232 53.996 8.431 1.00 35.39 H new ATOM 0 HB2 SER A 29 8.815 55.803 8.337 1.00 35.59 H new ATOM 0 HB3 SER A 29 9.041 54.884 9.577 1.00 35.59 H new ATOM 0 HG SER A 29 10.739 54.060 8.669 1.00 37.93 H new ATOM 217 N ASN A 30 8.370 53.225 5.680 1.00 34.88 N ATOM 218 CA ASN A 30 8.082 53.333 4.248 1.00 35.25 C ATOM 219 C ASN A 30 6.742 52.716 3.858 1.00 35.46 C ATOM 220 O ASN A 30 6.317 52.824 2.709 1.00 35.93 O ATOM 221 CB ASN A 30 9.239 52.798 3.398 1.00 35.41 C ATOM 222 CG ASN A 30 10.448 53.741 3.392 1.00 35.64 C ATOM 223 OD1 ASN A 30 11.576 53.318 3.128 1.00 38.33 O ATOM 224 ND2 ASN A 30 10.213 55.017 3.670 1.00 34.58 N ATOM 0 H ASN A 30 8.850 52.548 5.906 1.00 34.88 H new ATOM 0 HA ASN A 30 7.998 54.280 4.056 1.00 35.25 H new ATOM 0 HB2 ASN A 30 9.511 51.931 3.736 1.00 35.41 H new ATOM 0 HB3 ASN A 30 8.933 52.664 2.487 1.00 35.41 H new ATOM 0 HD21 ASN A 30 10.860 55.583 3.670 1.00 34.58 H new ATOM 0 HD22 ASN A 30 9.413 55.278 3.850 1.00 34.58 H new ATOM 225 N SER A 31 6.068 52.085 4.824 1.00 35.22 N ATOM 226 CA SER A 31 4.695 51.637 4.628 1.00 35.14 C ATOM 227 C SER A 31 3.814 52.866 4.498 1.00 35.17 C ATOM 228 O SER A 31 4.095 53.895 5.104 1.00 35.62 O ATOM 229 CB SER A 31 4.194 50.779 5.801 1.00 34.74 C ATOM 230 OG SER A 31 5.019 49.664 6.021 1.00 33.80 O ATOM 0 H SER A 31 6.393 51.908 5.600 1.00 35.22 H new ATOM 0 HA SER A 31 4.660 51.087 3.830 1.00 35.14 H new ATOM 0 HB2 SER A 31 4.159 51.320 6.606 1.00 34.74 H new ATOM 0 HB3 SER A 31 3.289 50.481 5.620 1.00 34.74 H new ATOM 0 HG SER A 31 5.697 49.899 6.457 1.00 33.80 H new ATOM 231 N ILE A 32 2.741 52.744 3.720 1.00 35.09 N ATOM 232 CA ILE A 32 1.840 53.866 3.463 1.00 35.39 C ATOM 233 C ILE A 32 0.503 53.358 2.933 1.00 35.48 C ATOM 234 O ILE A 32 0.445 52.388 2.173 1.00 35.23 O ATOM 235 CB ILE A 32 2.471 54.924 2.483 1.00 35.34 C ATOM 236 CG1 ILE A 32 1.491 56.059 2.148 1.00 36.12 C ATOM 237 CG2 ILE A 32 3.026 54.265 1.184 1.00 35.17 C ATOM 238 CD1 ILE A 32 2.180 57.381 1.684 1.00 35.06 C ATOM 0 H ILE A 32 2.515 52.013 3.328 1.00 35.09 H new ATOM 0 HA ILE A 32 1.691 54.321 4.306 1.00 35.39 H new ATOM 0 HB ILE A 32 3.222 55.316 2.955 1.00 35.34 H new ATOM 0 HG12 ILE A 32 0.889 55.758 1.450 1.00 36.12 H new ATOM 0 HG13 ILE A 32 0.948 56.246 2.930 1.00 36.12 H new ATOM 0 HG21 ILE A 32 3.404 54.949 0.610 1.00 35.17 H new ATOM 0 HG22 ILE A 32 3.714 53.621 1.416 1.00 35.17 H new ATOM 0 HG23 ILE A 32 2.306 53.814 0.717 1.00 35.17 H new ATOM 0 HD11 ILE A 32 1.503 58.048 1.491 1.00 35.06 H new ATOM 0 HD12 ILE A 32 2.763 57.706 2.388 1.00 35.06 H new ATOM 0 HD13 ILE A 32 2.702 57.211 0.885 1.00 35.06 H new ATOM 239 N ASP A 33 -0.567 54.021 3.346 1.00 35.64 N ATOM 240 CA ASP A 33 -1.854 53.845 2.701 1.00 36.10 C ATOM 241 C ASP A 33 -2.067 55.039 1.778 1.00 36.35 C ATOM 242 O ASP A 33 -2.126 56.176 2.243 1.00 36.55 O ATOM 243 CB ASP A 33 -2.982 53.739 3.728 1.00 35.98 C ATOM 244 CG ASP A 33 -4.292 53.339 3.090 1.00 35.88 C ATOM 245 OD1 ASP A 33 -4.256 52.507 2.165 1.00 35.74 O ATOM 246 OD2 ASP A 33 -5.364 53.841 3.489 1.00 35.42 O ATOM 0 H ASP A 33 -0.567 54.579 4.000 1.00 35.64 H new ATOM 0 HA ASP A 33 -1.864 53.017 2.195 1.00 36.10 H new ATOM 0 HB2 ASP A 33 -2.741 53.088 4.406 1.00 35.98 H new ATOM 0 HB3 ASP A 33 -3.089 54.591 4.179 1.00 35.98 H new ATOM 247 N GLU A 34 -2.151 54.778 0.473 1.00 36.43 N ATOM 248 CA GLU A 34 -2.175 55.848 -0.535 1.00 36.99 C ATOM 249 C GLU A 34 -3.439 56.715 -0.510 1.00 37.12 C ATOM 250 O GLU A 34 -3.394 57.892 -0.871 1.00 37.37 O ATOM 251 CB GLU A 34 -1.967 55.286 -1.952 1.00 36.83 C ATOM 252 CG GLU A 34 -0.719 54.420 -2.146 1.00 36.43 C ATOM 253 CD GLU A 34 0.584 55.188 -2.011 1.00 38.27 C ATOM 254 OE1 GLU A 34 0.576 56.436 -2.026 1.00 36.86 O ATOM 255 OE2 GLU A 34 1.635 54.532 -1.895 1.00 40.85 O ATOM 0 H GLU A 34 -2.195 53.984 0.146 1.00 36.43 H new ATOM 0 HA GLU A 34 -1.435 56.428 -0.294 1.00 36.99 H new ATOM 0 HB2 GLU A 34 -2.746 54.760 -2.191 1.00 36.83 H new ATOM 0 HB3 GLU A 34 -1.925 56.029 -2.574 1.00 36.83 H new ATOM 0 HG2 GLU A 34 -0.730 53.701 -1.495 1.00 36.43 H new ATOM 0 HG3 GLU A 34 -0.754 54.009 -3.024 1.00 36.43 H new ATOM 256 N ASP A 35 -4.560 56.123 -0.107 1.00 37.60 N ATOM 257 CA ASP A 35 -5.857 56.802 -0.133 1.00 38.20 C ATOM 258 C ASP A 35 -6.511 56.897 1.260 1.00 38.71 C ATOM 259 O ASP A 35 -7.724 57.094 1.366 1.00 39.44 O ATOM 260 CB ASP A 35 -6.795 56.074 -1.103 1.00 37.80 C ATOM 261 CG ASP A 35 -7.149 54.685 -0.624 1.00 36.96 C ATOM 262 OD1 ASP A 35 -6.448 54.177 0.267 1.00 35.66 O ATOM 263 OD2 ASP A 35 -8.133 54.104 -1.112 1.00 37.37 O ATOM 0 H ASP A 35 -4.592 55.316 0.190 1.00 37.60 H new ATOM 0 HA ASP A 35 -5.701 57.711 -0.432 1.00 38.20 H new ATOM 0 HB2 ASP A 35 -7.607 56.592 -1.215 1.00 37.80 H new ATOM 0 HB3 ASP A 35 -6.374 56.016 -1.975 1.00 37.80 H new ATOM 264 N GLY A 36 -5.715 56.749 2.317 1.00 38.83 N ATOM 265 CA GLY A 36 -6.227 56.814 3.693 1.00 38.82 C ATOM 266 C GLY A 36 -5.075 56.886 4.671 1.00 39.20 C ATOM 267 O GLY A 36 -4.059 57.512 4.384 1.00 39.58 O ATOM 0 H GLY A 36 -4.868 56.609 2.262 1.00 38.83 H new ATOM 0 HA2 GLY A 36 -6.798 57.591 3.797 1.00 38.82 H new ATOM 0 HA3 GLY A 36 -6.772 56.034 3.880 1.00 38.82 H new ATOM 268 N THR A 37 -5.225 56.251 5.828 1.00 39.15 N ATOM 269 CA THR A 37 -4.150 56.216 6.820 1.00 39.15 C ATOM 270 C THR A 37 -3.925 54.802 7.332 1.00 38.78 C ATOM 271 O THR A 37 -4.803 53.944 7.210 1.00 38.83 O ATOM 272 CB THR A 37 -4.448 57.123 8.045 1.00 39.31 C ATOM 273 OG1 THR A 37 -5.668 56.704 8.671 1.00 39.06 O ATOM 274 CG2 THR A 37 -4.538 58.591 7.652 1.00 39.09 C ATOM 0 H THR A 37 -5.940 55.834 6.060 1.00 39.15 H new ATOM 0 HA THR A 37 -3.358 56.543 6.365 1.00 39.15 H new ATOM 0 HB THR A 37 -3.712 57.033 8.670 1.00 39.31 H new ATOM 0 HG1 THR A 37 -5.826 57.195 9.334 1.00 39.06 H new ATOM 0 HG21 THR A 37 -4.724 59.126 8.439 1.00 39.09 H new ATOM 0 HG22 THR A 37 -3.696 58.874 7.261 1.00 39.09 H new ATOM 0 HG23 THR A 37 -5.251 58.710 7.005 1.00 39.09 H new ATOM 275 N ILE A 38 -2.756 54.566 7.922 1.00 38.75 N ATOM 276 CA ILE A 38 -2.486 53.278 8.569 1.00 38.17 C ATOM 277 C ILE A 38 -3.045 53.277 9.982 1.00 38.05 C ATOM 278 O ILE A 38 -2.757 54.184 10.770 1.00 38.73 O ATOM 279 CB ILE A 38 -0.983 52.912 8.568 1.00 38.11 C ATOM 280 CG1 ILE A 38 -0.477 52.779 7.123 1.00 37.75 C ATOM 281 CG2 ILE A 38 -0.721 51.612 9.398 1.00 36.96 C ATOM 282 CD1 ILE A 38 1.009 52.622 6.996 1.00 37.20 C ATOM 0 H ILE A 38 -2.109 55.131 7.960 1.00 38.75 H new ATOM 0 HA ILE A 38 -2.934 52.593 8.048 1.00 38.17 H new ATOM 0 HB ILE A 38 -0.485 53.626 8.997 1.00 38.11 H new ATOM 0 HG12 ILE A 38 -0.908 52.014 6.711 1.00 37.75 H new ATOM 0 HG13 ILE A 38 -0.752 53.563 6.623 1.00 37.75 H new ATOM 0 HG21 ILE A 38 0.226 51.403 9.383 1.00 36.96 H new ATOM 0 HG22 ILE A 38 -1.006 51.750 10.315 1.00 36.96 H new ATOM 0 HG23 ILE A 38 -1.220 50.875 9.012 1.00 36.96 H new ATOM 0 HD11 ILE A 38 1.248 52.545 6.059 1.00 37.20 H new ATOM 0 HD12 ILE A 38 1.450 53.396 7.379 1.00 37.20 H new ATOM 0 HD13 ILE A 38 1.292 51.823 7.468 1.00 37.20 H new ATOM 283 N ALA A 39 -3.837 52.256 10.300 1.00 37.72 N ATOM 284 CA ALA A 39 -4.440 52.121 11.628 1.00 37.42 C ATOM 285 C ALA A 39 -3.679 51.160 12.545 1.00 37.67 C ATOM 286 O ALA A 39 -3.656 51.358 13.759 1.00 37.75 O ATOM 287 CB ALA A 39 -5.888 51.686 11.511 1.00 37.23 C ATOM 0 H ALA A 39 -4.041 51.623 9.755 1.00 37.72 H new ATOM 0 HA ALA A 39 -4.391 52.998 12.039 1.00 37.42 H new ATOM 0 HB1 ALA A 39 -6.273 51.601 12.397 1.00 37.23 H new ATOM 0 HB2 ALA A 39 -6.385 52.348 11.005 1.00 37.23 H new ATOM 0 HB3 ALA A 39 -5.933 50.831 11.056 1.00 37.23 H new ATOM 288 N TYR A 40 -3.097 50.106 11.976 1.00 37.18 N ATOM 289 CA TYR A 40 -2.372 49.099 12.762 1.00 37.37 C ATOM 290 C TYR A 40 -1.067 48.683 12.095 1.00 36.87 C ATOM 291 O TYR A 40 -1.043 48.422 10.893 1.00 36.64 O ATOM 292 CB TYR A 40 -3.229 47.832 12.983 1.00 37.73 C ATOM 293 CG TYR A 40 -4.437 48.022 13.880 1.00 38.76 C ATOM 294 CD1 TYR A 40 -5.659 48.426 13.346 1.00 38.39 C ATOM 295 CD2 TYR A 40 -4.362 47.780 15.262 1.00 38.56 C ATOM 296 CE1 TYR A 40 -6.771 48.610 14.155 1.00 39.88 C ATOM 297 CE2 TYR A 40 -5.480 47.955 16.086 1.00 38.28 C ATOM 298 CZ TYR A 40 -6.678 48.375 15.516 1.00 38.77 C ATOM 299 OH TYR A 40 -7.799 48.561 16.286 1.00 40.35 O ATOM 0 H TYR A 40 -3.109 49.952 11.130 1.00 37.18 H new ATOM 0 HA TYR A 40 -2.175 49.517 13.615 1.00 37.37 H new ATOM 0 HB2 TYR A 40 -3.532 47.508 12.120 1.00 37.73 H new ATOM 0 HB3 TYR A 40 -2.666 47.140 13.364 1.00 37.73 H new ATOM 0 HD1 TYR A 40 -5.730 48.575 12.431 1.00 38.39 H new ATOM 0 HD2 TYR A 40 -3.558 47.499 15.635 1.00 38.56 H new ATOM 0 HE1 TYR A 40 -7.576 48.890 13.784 1.00 39.88 H new ATOM 0 HE2 TYR A 40 -5.423 47.793 17.000 1.00 38.28 H new ATOM 0 HH TYR A 40 -7.620 48.388 17.088 1.00 40.35 H new ATOM 300 N TYR A 41 0.011 48.638 12.876 1.00 36.40 N ATOM 301 CA TYR A 41 1.211 47.885 12.515 1.00 36.46 C ATOM 302 C TYR A 41 1.236 46.661 13.418 1.00 36.76 C ATOM 303 O TYR A 41 1.440 46.794 14.632 1.00 36.54 O ATOM 304 CB TYR A 41 2.482 48.708 12.762 1.00 36.40 C ATOM 305 CG TYR A 41 2.569 49.982 11.975 1.00 37.13 C ATOM 306 CD1 TYR A 41 2.047 51.182 12.486 1.00 36.76 C ATOM 307 CD2 TYR A 41 3.177 50.001 10.718 1.00 36.41 C ATOM 308 CE1 TYR A 41 2.125 52.349 11.761 1.00 38.10 C ATOM 309 CE2 TYR A 41 3.257 51.163 9.983 1.00 37.88 C ATOM 310 CZ TYR A 41 2.734 52.334 10.504 1.00 37.84 C ATOM 311 OH TYR A 41 2.825 53.494 9.768 1.00 38.59 O ATOM 0 H TYR A 41 0.067 49.044 13.632 1.00 36.40 H new ATOM 0 HA TYR A 41 1.188 47.653 11.573 1.00 36.46 H new ATOM 0 HB2 TYR A 41 2.535 48.922 13.707 1.00 36.40 H new ATOM 0 HB3 TYR A 41 3.254 48.159 12.551 1.00 36.40 H new ATOM 0 HD1 TYR A 41 1.644 51.188 13.324 1.00 36.76 H new ATOM 0 HD2 TYR A 41 3.534 49.215 10.371 1.00 36.41 H new ATOM 0 HE1 TYR A 41 1.776 53.140 12.104 1.00 38.10 H new ATOM 0 HE2 TYR A 41 3.659 51.161 9.144 1.00 37.88 H new ATOM 0 HH TYR A 41 2.873 54.153 10.287 1.00 38.59 H new ATOM 312 N VAL A 42 0.996 45.473 12.854 1.00 36.49 N ATOM 313 CA VAL A 42 1.027 44.244 13.655 1.00 36.00 C ATOM 314 C VAL A 42 2.284 43.453 13.302 1.00 35.73 C ATOM 315 O VAL A 42 2.557 43.189 12.130 1.00 36.14 O ATOM 316 CB VAL A 42 -0.261 43.372 13.478 1.00 35.99 C ATOM 317 CG1 VAL A 42 -0.205 42.115 14.372 1.00 36.00 C ATOM 318 CG2 VAL A 42 -1.512 44.175 13.789 1.00 34.89 C ATOM 0 H VAL A 42 0.816 45.357 12.021 1.00 36.49 H new ATOM 0 HA VAL A 42 1.049 44.494 14.592 1.00 36.00 H new ATOM 0 HB VAL A 42 -0.298 43.091 12.550 1.00 35.99 H new ATOM 0 HG11 VAL A 42 -1.012 41.592 14.246 1.00 36.00 H new ATOM 0 HG12 VAL A 42 0.568 41.581 14.131 1.00 36.00 H new ATOM 0 HG13 VAL A 42 -0.136 42.382 15.302 1.00 36.00 H new ATOM 0 HG21 VAL A 42 -2.294 43.614 13.672 1.00 34.89 H new ATOM 0 HG22 VAL A 42 -1.475 44.490 14.706 1.00 34.89 H new ATOM 0 HG23 VAL A 42 -1.567 44.935 13.188 1.00 34.89 H new ATOM 319 N TRP A 43 3.043 43.073 14.320 1.00 34.78 N ATOM 320 CA TRP A 43 4.327 42.430 14.121 1.00 34.55 C ATOM 321 C TRP A 43 4.274 41.020 14.675 1.00 34.52 C ATOM 322 O TRP A 43 3.871 40.815 15.819 1.00 34.39 O ATOM 323 CB TRP A 43 5.427 43.206 14.850 1.00 33.79 C ATOM 324 CG TRP A 43 5.634 44.623 14.372 1.00 33.86 C ATOM 325 CD1 TRP A 43 5.033 45.750 14.865 1.00 34.93 C ATOM 326 CD2 TRP A 43 6.510 45.057 13.333 1.00 33.72 C ATOM 327 NE1 TRP A 43 5.488 46.858 14.199 1.00 34.19 N ATOM 328 CE2 TRP A 43 6.392 46.463 13.248 1.00 34.34 C ATOM 329 CE3 TRP A 43 7.387 44.393 12.456 1.00 31.92 C ATOM 330 CZ2 TRP A 43 7.129 47.234 12.324 1.00 33.10 C ATOM 331 CZ3 TRP A 43 8.116 45.162 11.527 1.00 33.57 C ATOM 332 CH2 TRP A 43 7.979 46.569 11.476 1.00 33.46 C ATOM 0 H TRP A 43 2.826 43.182 15.145 1.00 34.78 H new ATOM 0 HA TRP A 43 4.523 42.410 13.171 1.00 34.55 H new ATOM 0 HB2 TRP A 43 5.217 43.226 15.797 1.00 33.79 H new ATOM 0 HB3 TRP A 43 6.262 42.722 14.755 1.00 33.79 H new ATOM 0 HD1 TRP A 43 4.407 45.762 15.552 1.00 34.93 H new ATOM 0 HE1 TRP A 43 5.246 47.669 14.353 1.00 34.19 H new ATOM 0 HE3 TRP A 43 7.483 43.469 12.489 1.00 31.92 H new ATOM 0 HZ2 TRP A 43 7.042 48.159 12.291 1.00 33.10 H new ATOM 0 HZ3 TRP A 43 8.697 44.737 10.938 1.00 33.57 H new ATOM 0 HH2 TRP A 43 8.475 47.053 10.856 1.00 33.46 H new ATOM 333 N ASP A 44 4.701 40.059 13.868 1.00 34.77 N ATOM 334 CA ASP A 44 4.889 38.691 14.329 1.00 34.96 C ATOM 335 C ASP A 44 6.381 38.434 14.248 1.00 35.04 C ATOM 336 O ASP A 44 6.958 38.447 13.160 1.00 35.02 O ATOM 337 CB ASP A 44 4.104 37.704 13.443 1.00 34.95 C ATOM 338 CG ASP A 44 4.258 36.248 13.895 1.00 35.46 C ATOM 339 OD1 ASP A 44 5.372 35.805 14.245 1.00 37.66 O ATOM 340 OD2 ASP A 44 3.256 35.528 13.900 1.00 36.48 O ATOM 0 H ASP A 44 4.890 40.181 13.038 1.00 34.77 H new ATOM 0 HA ASP A 44 4.559 38.567 15.232 1.00 34.96 H new ATOM 0 HB2 ASP A 44 3.164 37.944 13.453 1.00 34.95 H new ATOM 0 HB3 ASP A 44 4.408 37.787 12.526 1.00 34.95 H new ATOM 341 N PHE A 45 7.010 38.202 15.400 1.00 34.70 N ATOM 342 CA PHE A 45 8.470 38.104 15.473 1.00 34.10 C ATOM 343 C PHE A 45 9.069 36.738 15.153 1.00 33.60 C ATOM 344 O PHE A 45 10.290 36.564 15.208 1.00 33.08 O ATOM 345 CB PHE A 45 8.968 38.643 16.824 1.00 33.79 C ATOM 346 CG PHE A 45 8.608 40.080 17.048 1.00 34.41 C ATOM 347 CD1 PHE A 45 9.299 41.094 16.388 1.00 35.64 C ATOM 348 CD2 PHE A 45 7.559 40.423 17.906 1.00 35.27 C ATOM 349 CE1 PHE A 45 8.953 42.439 16.587 1.00 35.54 C ATOM 350 CE2 PHE A 45 7.217 41.758 18.109 1.00 35.02 C ATOM 351 CZ PHE A 45 7.913 42.758 17.444 1.00 34.34 C ATOM 0 H PHE A 45 6.609 38.098 16.154 1.00 34.70 H new ATOM 0 HA PHE A 45 8.797 38.662 14.750 1.00 34.10 H new ATOM 0 HB2 PHE A 45 8.593 38.105 17.539 1.00 33.79 H new ATOM 0 HB3 PHE A 45 9.932 38.545 16.870 1.00 33.79 H new ATOM 0 HD1 PHE A 45 9.995 40.877 15.811 1.00 35.64 H new ATOM 0 HD2 PHE A 45 7.085 39.754 18.345 1.00 35.27 H new ATOM 0 HE1 PHE A 45 9.419 43.112 16.146 1.00 35.54 H new ATOM 0 HE2 PHE A 45 6.524 41.979 18.689 1.00 35.02 H new ATOM 0 HZ PHE A 45 7.679 43.649 17.575 1.00 34.34 H new ATOM 352 N GLY A 46 8.207 35.781 14.812 1.00 33.95 N ATOM 353 CA GLY A 46 8.630 34.463 14.337 1.00 33.30 C ATOM 354 C GLY A 46 9.017 33.492 15.429 1.00 34.14 C ATOM 355 O GLY A 46 9.397 32.350 15.149 1.00 34.32 O ATOM 0 H GLY A 46 7.353 35.879 14.850 1.00 33.95 H new ATOM 0 HA2 GLY A 46 7.910 34.074 13.816 1.00 33.30 H new ATOM 0 HA3 GLY A 46 9.385 34.575 13.739 1.00 33.30 H new ATOM 356 N ASP A 47 8.912 33.946 16.676 1.00 34.18 N ATOM 357 CA ASP A 47 9.359 33.184 17.840 1.00 34.19 C ATOM 358 C ASP A 47 8.229 32.766 18.779 1.00 34.42 C ATOM 359 O ASP A 47 8.479 32.153 19.810 1.00 34.37 O ATOM 360 CB ASP A 47 10.416 33.985 18.624 1.00 33.54 C ATOM 361 CG ASP A 47 9.841 35.221 19.312 1.00 33.16 C ATOM 362 OD1 ASP A 47 8.735 35.689 18.940 1.00 33.23 O ATOM 363 OD2 ASP A 47 10.501 35.724 20.246 1.00 31.68 O ATOM 0 H ASP A 47 8.576 34.713 16.872 1.00 34.18 H new ATOM 0 HA ASP A 47 9.743 32.364 17.491 1.00 34.19 H new ATOM 0 HB2 ASP A 47 10.821 33.409 19.291 1.00 33.54 H new ATOM 0 HB3 ASP A 47 11.122 34.258 18.018 1.00 33.54 H new ATOM 364 N GLY A 48 6.994 33.118 18.437 1.00 34.87 N ATOM 365 CA GLY A 48 5.859 32.796 19.300 1.00 35.18 C ATOM 366 C GLY A 48 5.165 34.026 19.843 1.00 35.70 C ATOM 367 O GLY A 48 4.066 33.933 20.383 1.00 36.07 O ATOM 0 H GLY A 48 6.791 33.540 17.716 1.00 34.87 H new ATOM 0 HA2 GLY A 48 5.220 32.263 18.801 1.00 35.18 H new ATOM 0 HA3 GLY A 48 6.166 32.250 20.041 1.00 35.18 H new ATOM 368 N TYR A 49 5.823 35.174 19.715 1.00 36.29 N ATOM 369 CA TYR A 49 5.318 36.442 20.217 1.00 36.56 C ATOM 370 C TYR A 49 4.891 37.370 19.089 1.00 36.10 C ATOM 371 O TYR A 49 5.473 37.361 17.989 1.00 36.00 O ATOM 372 CB TYR A 49 6.346 37.135 21.131 1.00 37.08 C ATOM 373 CG TYR A 49 6.645 36.338 22.392 1.00 39.56 C ATOM 374 CD1 TYR A 49 5.781 36.376 23.499 1.00 40.49 C ATOM 375 CD2 TYR A 49 7.784 35.516 22.468 1.00 41.00 C ATOM 376 CE1 TYR A 49 6.054 35.612 24.655 1.00 41.03 C ATOM 377 CE2 TYR A 49 8.066 34.767 23.610 1.00 39.49 C ATOM 378 CZ TYR A 49 7.206 34.821 24.701 1.00 39.78 C ATOM 379 OH TYR A 49 7.496 34.070 25.834 1.00 39.57 O ATOM 0 H TYR A 49 6.588 35.237 19.327 1.00 36.29 H new ATOM 0 HA TYR A 49 4.530 36.240 20.746 1.00 36.56 H new ATOM 0 HB2 TYR A 49 7.170 37.273 20.638 1.00 37.08 H new ATOM 0 HB3 TYR A 49 6.013 38.012 21.379 1.00 37.08 H new ATOM 0 HD1 TYR A 49 5.020 36.910 23.470 1.00 40.49 H new ATOM 0 HD2 TYR A 49 8.362 35.471 21.741 1.00 41.00 H new ATOM 0 HE1 TYR A 49 5.472 35.635 25.380 1.00 41.03 H new ATOM 0 HE2 TYR A 49 8.827 34.233 23.642 1.00 39.49 H new ATOM 0 HH TYR A 49 6.780 33.847 26.214 1.00 39.57 H new ATOM 380 N GLU A 50 3.855 38.150 19.372 1.00 35.60 N ATOM 381 CA GLU A 50 3.362 39.182 18.456 1.00 35.93 C ATOM 382 C GLU A 50 3.072 40.452 19.245 1.00 36.06 C ATOM 383 O GLU A 50 2.858 40.409 20.464 1.00 35.95 O ATOM 384 CB GLU A 50 2.092 38.721 17.714 1.00 35.61 C ATOM 385 CG GLU A 50 2.241 37.363 17.005 1.00 35.00 C ATOM 386 CD GLU A 50 1.181 37.100 15.961 1.00 35.77 C ATOM 387 OE1 GLU A 50 0.762 38.040 15.245 1.00 37.10 O ATOM 388 OE2 GLU A 50 0.771 35.934 15.844 1.00 36.50 O ATOM 0 H GLU A 50 3.412 38.098 20.107 1.00 35.60 H new ATOM 0 HA GLU A 50 4.045 39.353 17.789 1.00 35.93 H new ATOM 0 HB2 GLU A 50 1.360 38.666 18.348 1.00 35.61 H new ATOM 0 HB3 GLU A 50 1.849 39.393 17.058 1.00 35.61 H new ATOM 0 HG2 GLU A 50 3.114 37.321 16.585 1.00 35.00 H new ATOM 0 HG3 GLU A 50 2.212 36.656 17.669 1.00 35.00 H new ATOM 389 N GLY A 51 3.070 41.583 18.552 1.00 36.03 N ATOM 390 CA GLY A 51 2.621 42.830 19.158 1.00 36.12 C ATOM 391 C GLY A 51 2.334 43.902 18.136 1.00 36.42 C ATOM 392 O GLY A 51 2.434 43.673 16.932 1.00 35.59 O ATOM 0 H GLY A 51 3.323 41.651 17.733 1.00 36.03 H new ATOM 0 HA2 GLY A 51 1.820 42.662 19.679 1.00 36.12 H new ATOM 0 HA3 GLY A 51 3.299 43.149 19.774 1.00 36.12 H new ATOM 393 N THR A 52 1.951 45.074 18.618 1.00 36.52 N ATOM 394 CA THR A 52 1.685 46.185 17.726 1.00 36.86 C ATOM 395 C THR A 52 2.529 47.402 18.117 1.00 37.29 C ATOM 396 O THR A 52 2.979 47.542 19.268 1.00 36.60 O ATOM 397 CB THR A 52 0.182 46.560 17.683 1.00 36.73 C ATOM 398 OG1 THR A 52 -0.237 47.041 18.965 1.00 38.28 O ATOM 399 CG2 THR A 52 -0.691 45.361 17.294 1.00 36.97 C ATOM 0 H THR A 52 1.840 45.245 19.454 1.00 36.52 H new ATOM 0 HA THR A 52 1.934 45.899 16.833 1.00 36.86 H new ATOM 0 HB THR A 52 0.074 47.251 17.011 1.00 36.73 H new ATOM 0 HG1 THR A 52 -0.518 47.829 18.891 1.00 38.28 H new ATOM 0 HG21 THR A 52 -1.623 45.631 17.277 1.00 36.97 H new ATOM 0 HG22 THR A 52 -0.431 45.043 16.415 1.00 36.97 H new ATOM 0 HG23 THR A 52 -0.573 44.650 17.943 1.00 36.97 H new ATOM 400 N SER A 53 2.725 48.290 17.152 1.00 37.58 N ATOM 401 CA SER A 53 3.380 49.556 17.424 1.00 38.22 C ATOM 402 C SER A 53 2.440 50.703 17.094 1.00 38.90 C ATOM 403 O SER A 53 1.585 50.608 16.197 1.00 39.08 O ATOM 404 CB SER A 53 4.724 49.648 16.692 1.00 37.77 C ATOM 405 OG SER A 53 4.599 49.355 15.308 1.00 38.18 O ATOM 0 H SER A 53 2.486 48.177 16.334 1.00 37.58 H new ATOM 0 HA SER A 53 3.587 49.618 18.370 1.00 38.22 H new ATOM 0 HB2 SER A 53 5.090 50.540 16.801 1.00 37.77 H new ATOM 0 HB3 SER A 53 5.354 49.031 17.096 1.00 37.77 H new ATOM 0 HG SER A 53 4.604 50.071 14.868 1.00 38.18 H new ATOM 406 N THR A 54 2.565 51.779 17.857 1.00 39.65 N ATOM 407 CA THR A 54 1.698 52.929 17.662 1.00 40.57 C ATOM 408 C THR A 54 2.348 53.865 16.628 1.00 40.42 C ATOM 409 O THR A 54 1.690 54.730 16.043 1.00 41.67 O ATOM 410 CB THR A 54 1.399 53.638 19.014 1.00 40.65 C ATOM 411 OG1 THR A 54 2.632 53.965 19.674 1.00 40.64 O ATOM 412 CG2 THR A 54 0.577 52.719 19.936 1.00 41.26 C ATOM 0 H THR A 54 3.142 51.863 18.489 1.00 39.65 H new ATOM 0 HA THR A 54 0.837 52.645 17.317 1.00 40.57 H new ATOM 0 HB THR A 54 0.894 54.445 18.829 1.00 40.65 H new ATOM 0 HG1 THR A 54 2.467 54.349 20.403 1.00 40.64 H new ATOM 0 HG21 THR A 54 0.399 53.175 20.773 1.00 41.26 H new ATOM 0 HG22 THR A 54 -0.263 52.496 19.505 1.00 41.26 H new ATOM 0 HG23 THR A 54 1.076 51.906 20.111 1.00 41.26 H new ATOM 413 N THR A 55 3.648 53.668 16.421 1.00 39.46 N ATOM 414 CA THR A 55 4.399 54.300 15.353 1.00 38.44 C ATOM 415 C THR A 55 4.895 53.181 14.418 1.00 37.65 C ATOM 416 O THR A 55 4.653 52.008 14.700 1.00 37.45 O ATOM 417 CB THR A 55 5.596 55.121 15.914 1.00 38.39 C ATOM 418 OG1 THR A 55 6.615 54.237 16.404 1.00 39.44 O ATOM 419 CG2 THR A 55 5.149 56.034 17.035 1.00 37.67 C ATOM 0 H THR A 55 4.125 53.149 16.913 1.00 39.46 H new ATOM 0 HA THR A 55 3.835 54.925 14.871 1.00 38.44 H new ATOM 0 HB THR A 55 5.951 55.662 15.191 1.00 38.39 H new ATOM 0 HG1 THR A 55 6.397 53.951 17.163 1.00 39.44 H new ATOM 0 HG21 THR A 55 5.910 56.534 17.368 1.00 37.67 H new ATOM 0 HG22 THR A 55 4.478 56.650 16.702 1.00 37.67 H new ATOM 0 HG23 THR A 55 4.772 55.503 17.754 1.00 37.67 H new ATOM 420 N PRO A 56 5.566 53.536 13.302 1.00 36.82 N ATOM 421 CA PRO A 56 6.151 52.542 12.388 1.00 36.66 C ATOM 422 C PRO A 56 7.350 51.736 12.924 1.00 36.49 C ATOM 423 O PRO A 56 7.826 50.836 12.245 1.00 36.49 O ATOM 424 CB PRO A 56 6.601 53.391 11.189 1.00 36.28 C ATOM 425 CG PRO A 56 5.866 54.696 11.319 1.00 36.38 C ATOM 426 CD PRO A 56 5.755 54.909 12.785 1.00 36.88 C ATOM 0 HA PRO A 56 5.493 51.853 12.204 1.00 36.66 H new ATOM 0 HB2 PRO A 56 7.561 53.529 11.200 1.00 36.28 H new ATOM 0 HB3 PRO A 56 6.387 52.952 10.351 1.00 36.28 H new ATOM 0 HG2 PRO A 56 6.351 55.420 10.892 1.00 36.38 H new ATOM 0 HG3 PRO A 56 4.992 54.654 10.900 1.00 36.38 H new ATOM 0 HD2 PRO A 56 6.552 55.324 13.150 1.00 36.88 H new ATOM 0 HD3 PRO A 56 5.007 55.484 13.010 1.00 36.88 H new ATOM 427 N THR A 57 7.847 52.049 14.114 1.00 36.63 N ATOM 428 CA THR A 57 9.032 51.352 14.621 1.00 36.20 C ATOM 429 C THR A 57 8.704 50.534 15.872 1.00 36.06 C ATOM 430 O THR A 57 7.792 50.863 16.627 1.00 35.42 O ATOM 431 CB THR A 57 10.212 52.325 14.908 1.00 36.37 C ATOM 432 OG1 THR A 57 9.833 53.235 15.936 1.00 37.63 O ATOM 433 CG2 THR A 57 10.622 53.126 13.644 1.00 35.00 C ATOM 0 H THR A 57 7.524 52.649 14.638 1.00 36.63 H new ATOM 0 HA THR A 57 9.315 50.746 13.919 1.00 36.20 H new ATOM 0 HB THR A 57 10.974 51.794 15.186 1.00 36.37 H new ATOM 0 HG1 THR A 57 10.469 53.761 16.094 1.00 37.63 H new ATOM 0 HG21 THR A 57 11.358 53.720 13.861 1.00 35.00 H new ATOM 0 HG22 THR A 57 10.898 52.511 12.947 1.00 35.00 H new ATOM 0 HG23 THR A 57 9.867 53.649 13.333 1.00 35.00 H new ATOM 434 N ILE A 58 9.459 49.462 16.082 1.00 35.79 N ATOM 435 CA ILE A 58 9.288 48.609 17.251 1.00 35.84 C ATOM 436 C ILE A 58 10.655 47.985 17.498 1.00 36.28 C ATOM 437 O ILE A 58 11.393 47.703 16.554 1.00 35.89 O ATOM 438 CB ILE A 58 8.179 47.518 17.013 1.00 35.41 C ATOM 439 CG1 ILE A 58 7.639 46.967 18.340 1.00 34.97 C ATOM 440 CG2 ILE A 58 8.688 46.429 16.035 1.00 34.39 C ATOM 441 CD1 ILE A 58 6.333 46.111 18.221 1.00 35.33 C ATOM 0 H ILE A 58 10.085 49.209 15.550 1.00 35.79 H new ATOM 0 HA ILE A 58 8.986 49.114 18.022 1.00 35.84 H new ATOM 0 HB ILE A 58 7.415 47.931 16.582 1.00 35.41 H new ATOM 0 HG12 ILE A 58 8.328 46.424 18.753 1.00 34.97 H new ATOM 0 HG13 ILE A 58 7.468 47.712 18.938 1.00 34.97 H new ATOM 0 HG21 ILE A 58 7.994 45.765 15.899 1.00 34.39 H new ATOM 0 HG22 ILE A 58 8.915 46.838 15.185 1.00 34.39 H new ATOM 0 HG23 ILE A 58 9.475 46.001 16.408 1.00 34.39 H new ATOM 0 HD11 ILE A 58 6.065 45.806 19.102 1.00 35.33 H new ATOM 0 HD12 ILE A 58 5.625 46.652 17.837 1.00 35.33 H new ATOM 0 HD13 ILE A 58 6.499 45.345 17.650 1.00 35.33 H new ATOM 442 N THR A 59 11.011 47.801 18.765 1.00 36.85 N ATOM 443 CA THR A 59 12.265 47.133 19.080 1.00 37.33 C ATOM 444 C THR A 59 11.995 45.771 19.692 1.00 37.10 C ATOM 445 O THR A 59 10.965 45.547 20.342 1.00 36.83 O ATOM 446 CB THR A 59 13.291 48.039 19.879 1.00 37.60 C ATOM 447 OG1 THR A 59 13.983 47.272 20.871 1.00 39.48 O ATOM 448 CG2 THR A 59 12.625 49.175 20.522 1.00 37.21 C ATOM 0 H THR A 59 10.549 48.051 19.446 1.00 36.85 H new ATOM 0 HA THR A 59 12.737 46.973 18.248 1.00 37.33 H new ATOM 0 HB THR A 59 13.928 48.381 19.233 1.00 37.60 H new ATOM 0 HG1 THR A 59 14.522 47.767 21.283 1.00 39.48 H new ATOM 0 HG21 THR A 59 13.281 49.706 21.000 1.00 37.21 H new ATOM 0 HG22 THR A 59 12.196 49.723 19.847 1.00 37.21 H new ATOM 0 HG23 THR A 59 11.957 48.848 21.145 1.00 37.21 H new ATOM 449 N TYR A 60 12.892 44.837 19.410 1.00 37.14 N ATOM 450 CA TYR A 60 12.717 43.480 19.886 1.00 36.89 C ATOM 451 C TYR A 60 14.060 42.812 20.141 1.00 36.92 C ATOM 452 O TYR A 60 15.075 43.243 19.613 1.00 36.75 O ATOM 453 CB TYR A 60 11.831 42.674 18.915 1.00 36.79 C ATOM 454 CG TYR A 60 11.258 41.427 19.536 1.00 35.85 C ATOM 455 CD1 TYR A 60 10.231 41.501 20.486 1.00 36.40 C ATOM 456 CD2 TYR A 60 11.741 40.165 19.175 1.00 35.97 C ATOM 457 CE1 TYR A 60 9.697 40.339 21.069 1.00 34.22 C ATOM 458 CE2 TYR A 60 11.225 39.006 19.751 1.00 34.72 C ATOM 459 CZ TYR A 60 10.204 39.100 20.693 1.00 35.96 C ATOM 460 OH TYR A 60 9.706 37.944 21.259 1.00 35.64 O ATOM 0 H TYR A 60 13.604 44.970 18.947 1.00 37.14 H new ATOM 0 HA TYR A 60 12.255 43.507 20.738 1.00 36.89 H new ATOM 0 HB2 TYR A 60 11.105 43.237 18.605 1.00 36.79 H new ATOM 0 HB3 TYR A 60 12.354 42.430 18.135 1.00 36.79 H new ATOM 0 HD1 TYR A 60 9.897 42.333 20.735 1.00 36.40 H new ATOM 0 HD2 TYR A 60 12.417 40.098 18.540 1.00 35.97 H new ATOM 0 HE1 TYR A 60 9.014 40.398 21.698 1.00 34.22 H new ATOM 0 HE2 TYR A 60 11.561 38.174 19.507 1.00 34.72 H new ATOM 0 HH TYR A 60 9.987 37.278 20.830 1.00 35.64 H new ATOM 461 N LYS A 61 14.048 41.790 20.994 1.00 37.33 N ATOM 462 CA LYS A 61 15.241 41.018 21.369 1.00 37.55 C ATOM 463 C LYS A 61 14.938 39.531 21.309 1.00 36.83 C ATOM 464 O LYS A 61 13.880 39.088 21.773 1.00 36.36 O ATOM 465 CB LYS A 61 15.642 41.333 22.815 1.00 37.26 C ATOM 466 CG LYS A 61 16.585 42.458 22.954 1.00 39.65 C ATOM 467 CD LYS A 61 16.814 42.802 24.410 1.00 40.43 C ATOM 468 CE LYS A 61 15.850 43.857 24.837 1.00 42.61 C ATOM 469 NZ LYS A 61 16.613 44.842 25.621 1.00 45.51 N ATOM 0 H LYS A 61 13.331 41.517 21.382 1.00 37.33 H new ATOM 0 HA LYS A 61 15.953 41.254 20.754 1.00 37.55 H new ATOM 0 HB2 LYS A 61 14.841 41.531 23.325 1.00 37.26 H new ATOM 0 HB3 LYS A 61 16.040 40.541 23.209 1.00 37.26 H new ATOM 0 HG2 LYS A 61 17.430 42.229 22.536 1.00 39.65 H new ATOM 0 HG3 LYS A 61 16.238 43.234 22.486 1.00 39.65 H new ATOM 0 HD2 LYS A 61 16.704 42.010 24.959 1.00 40.43 H new ATOM 0 HD3 LYS A 61 17.724 43.112 24.539 1.00 40.43 H new ATOM 0 HE2 LYS A 61 15.437 44.277 24.066 1.00 42.61 H new ATOM 0 HE3 LYS A 61 15.135 43.474 25.369 1.00 42.61 H new ATOM 0 HZ1 LYS A 61 16.074 45.235 26.210 1.00 45.51 H new ATOM 0 HZ2 LYS A 61 17.274 44.431 26.053 1.00 45.51 H new ATOM 0 HZ3 LYS A 61 16.954 45.457 25.075 1.00 45.51 H new ATOM 470 N TYR A 62 15.890 38.767 20.784 1.00 36.48 N ATOM 471 CA TYR A 62 15.797 37.309 20.736 1.00 36.16 C ATOM 472 C TYR A 62 16.827 36.699 21.677 1.00 36.89 C ATOM 473 O TYR A 62 18.017 36.985 21.568 1.00 36.85 O ATOM 474 CB TYR A 62 16.057 36.816 19.319 1.00 35.45 C ATOM 475 CG TYR A 62 15.048 37.265 18.296 1.00 34.59 C ATOM 476 CD1 TYR A 62 13.889 36.516 18.061 1.00 32.82 C ATOM 477 CD2 TYR A 62 15.264 38.423 17.534 1.00 34.51 C ATOM 478 CE1 TYR A 62 12.963 36.907 17.120 1.00 33.86 C ATOM 479 CE2 TYR A 62 14.343 38.820 16.564 1.00 33.75 C ATOM 480 CZ TYR A 62 13.197 38.060 16.366 1.00 34.13 C ATOM 481 OH TYR A 62 12.282 38.438 15.416 1.00 34.06 O ATOM 0 H TYR A 62 16.614 39.081 20.443 1.00 36.48 H new ATOM 0 HA TYR A 62 14.906 37.042 21.010 1.00 36.16 H new ATOM 0 HB2 TYR A 62 16.936 37.118 19.042 1.00 35.45 H new ATOM 0 HB3 TYR A 62 16.080 35.846 19.327 1.00 35.45 H new ATOM 0 HD1 TYR A 62 13.742 35.739 18.550 1.00 32.82 H new ATOM 0 HD2 TYR A 62 16.029 38.932 17.677 1.00 34.51 H new ATOM 0 HE1 TYR A 62 12.189 36.408 16.987 1.00 33.86 H new ATOM 0 HE2 TYR A 62 14.494 39.584 16.056 1.00 33.75 H new ATOM 0 HH TYR A 62 11.675 37.859 15.365 1.00 34.06 H new ATOM 482 N LYS A 63 16.380 35.870 22.610 1.00 37.98 N ATOM 483 CA LYS A 63 17.310 35.252 23.557 1.00 39.38 C ATOM 484 C LYS A 63 18.013 34.021 22.992 1.00 39.38 C ATOM 485 O LYS A 63 19.095 33.678 23.449 1.00 40.33 O ATOM 486 CB LYS A 63 16.638 34.934 24.900 1.00 39.25 C ATOM 487 CG LYS A 63 15.485 33.939 24.869 1.00 40.74 C ATOM 488 CD LYS A 63 14.729 33.988 26.220 1.00 41.78 C ATOM 489 CE LYS A 63 14.080 32.646 26.548 1.00 46.09 C ATOM 490 NZ LYS A 63 12.971 32.236 25.619 1.00 47.13 N ATOM 0 H LYS A 63 15.555 35.652 22.715 1.00 37.98 H new ATOM 0 HA LYS A 63 17.998 35.917 23.717 1.00 39.38 H new ATOM 0 HB2 LYS A 63 17.316 34.593 25.505 1.00 39.25 H new ATOM 0 HB3 LYS A 63 16.311 35.765 25.279 1.00 39.25 H new ATOM 0 HG2 LYS A 63 14.881 34.151 24.141 1.00 40.74 H new ATOM 0 HG3 LYS A 63 15.821 33.044 24.707 1.00 40.74 H new ATOM 0 HD2 LYS A 63 15.345 34.232 26.928 1.00 41.78 H new ATOM 0 HD3 LYS A 63 14.048 34.678 26.186 1.00 41.78 H new ATOM 0 HE2 LYS A 63 14.765 31.959 26.537 1.00 46.09 H new ATOM 0 HE3 LYS A 63 13.730 32.683 27.452 1.00 46.09 H new ATOM 0 HZ1 LYS A 63 12.764 31.382 25.762 1.00 47.13 H new ATOM 0 HZ2 LYS A 63 12.256 32.744 25.768 1.00 47.13 H new ATOM 0 HZ3 LYS A 63 13.237 32.339 24.776 1.00 47.13 H new ATOM 491 N ASN A 64 17.403 33.376 21.998 1.00 39.13 N ATOM 492 CA ASN A 64 17.959 32.177 21.369 1.00 39.39 C ATOM 493 C ASN A 64 18.467 32.471 19.959 1.00 39.19 C ATOM 494 O ASN A 64 17.853 33.259 19.240 1.00 39.41 O ATOM 495 CB ASN A 64 16.911 31.056 21.318 1.00 39.14 C ATOM 496 CG ASN A 64 16.446 30.626 22.698 1.00 40.25 C ATOM 497 OD1 ASN A 64 15.240 30.520 22.966 1.00 41.80 O ATOM 498 ND2 ASN A 64 17.394 30.399 23.589 1.00 39.26 N ATOM 0 H ASN A 64 16.649 33.624 21.667 1.00 39.13 H new ATOM 0 HA ASN A 64 18.710 31.887 21.911 1.00 39.39 H new ATOM 0 HB2 ASN A 64 16.146 31.356 20.802 1.00 39.14 H new ATOM 0 HB3 ASN A 64 17.284 30.291 20.853 1.00 39.14 H new ATOM 0 HD21 ASN A 64 17.184 30.168 24.390 1.00 39.26 H new ATOM 0 HD22 ASN A 64 18.221 30.482 23.368 1.00 39.26 H new ATOM 499 N PRO A 65 19.606 31.861 19.563 1.00 39.16 N ATOM 500 CA PRO A 65 20.036 32.004 18.170 1.00 39.19 C ATOM 501 C PRO A 65 19.069 31.310 17.213 1.00 39.35 C ATOM 502 O PRO A 65 18.280 30.465 17.628 1.00 39.55 O ATOM 503 CB PRO A 65 21.405 31.321 18.140 1.00 39.15 C ATOM 504 CG PRO A 65 21.419 30.414 19.313 1.00 39.27 C ATOM 505 CD PRO A 65 20.550 31.055 20.357 1.00 39.14 C ATOM 0 HA PRO A 65 20.066 32.931 17.887 1.00 39.19 H new ATOM 0 HB2 PRO A 65 21.531 30.827 17.315 1.00 39.15 H new ATOM 0 HB3 PRO A 65 22.122 31.972 18.193 1.00 39.15 H new ATOM 0 HG2 PRO A 65 21.082 29.536 19.075 1.00 39.27 H new ATOM 0 HG3 PRO A 65 22.323 30.291 19.644 1.00 39.27 H new ATOM 0 HD2 PRO A 65 20.090 30.393 20.896 1.00 39.14 H new ATOM 0 HD3 PRO A 65 21.068 31.606 20.965 1.00 39.14 H new ATOM 506 N GLY A 66 19.119 31.679 15.943 1.00 39.42 N ATOM 507 CA GLY A 66 18.260 31.061 14.958 1.00 39.86 C ATOM 508 C GLY A 66 17.909 32.015 13.842 1.00 40.03 C ATOM 509 O GLY A 66 18.339 33.174 13.829 1.00 40.49 O ATOM 0 H GLY A 66 19.644 32.286 15.634 1.00 39.42 H new ATOM 0 HA2 GLY A 66 18.701 30.280 14.589 1.00 39.86 H new ATOM 0 HA3 GLY A 66 17.447 30.752 15.387 1.00 39.86 H new ATOM 510 N THR A 67 17.130 31.507 12.900 1.00 40.02 N ATOM 511 CA THR A 67 16.633 32.282 11.783 1.00 40.14 C ATOM 512 C THR A 67 15.123 32.431 12.006 1.00 39.76 C ATOM 513 O THR A 67 14.409 31.432 12.094 1.00 40.20 O ATOM 514 CB THR A 67 16.960 31.568 10.440 1.00 40.24 C ATOM 515 OG1 THR A 67 18.380 31.569 10.227 1.00 41.02 O ATOM 516 CG2 THR A 67 16.291 32.256 9.273 1.00 40.58 C ATOM 0 H THR A 67 16.872 30.687 12.894 1.00 40.02 H new ATOM 0 HA THR A 67 17.052 33.155 11.731 1.00 40.14 H new ATOM 0 HB THR A 67 16.626 30.659 10.497 1.00 40.24 H new ATOM 0 HG1 THR A 67 18.555 31.182 9.502 1.00 41.02 H new ATOM 0 HG21 THR A 67 16.513 31.790 8.452 1.00 40.58 H new ATOM 0 HG22 THR A 67 15.329 32.247 9.400 1.00 40.58 H new ATOM 0 HG23 THR A 67 16.601 33.173 9.217 1.00 40.58 H new ATOM 517 N TYR A 68 14.661 33.677 12.122 1.00 39.01 N ATOM 518 CA TYR A 68 13.256 33.987 12.416 1.00 38.60 C ATOM 519 C TYR A 68 12.568 34.648 11.216 1.00 39.00 C ATOM 520 O TYR A 68 13.175 35.464 10.521 1.00 39.30 O ATOM 521 CB TYR A 68 13.145 34.893 13.652 1.00 37.78 C ATOM 522 CG TYR A 68 13.731 34.282 14.914 1.00 36.88 C ATOM 523 CD1 TYR A 68 12.939 33.508 15.772 1.00 34.24 C ATOM 524 CD2 TYR A 68 15.094 34.440 15.232 1.00 36.38 C ATOM 525 CE1 TYR A 68 13.478 32.925 16.914 1.00 33.76 C ATOM 526 CE2 TYR A 68 15.636 33.868 16.388 1.00 35.67 C ATOM 527 CZ TYR A 68 14.814 33.111 17.221 1.00 35.03 C ATOM 528 OH TYR A 68 15.337 32.533 18.359 1.00 36.38 O ATOM 0 H TYR A 68 15.157 34.374 12.032 1.00 39.01 H new ATOM 0 HA TYR A 68 12.805 33.148 12.601 1.00 38.60 H new ATOM 0 HB2 TYR A 68 13.596 35.732 13.469 1.00 37.78 H new ATOM 0 HB3 TYR A 68 12.210 35.101 13.807 1.00 37.78 H new ATOM 0 HD1 TYR A 68 12.039 33.382 15.575 1.00 34.24 H new ATOM 0 HD2 TYR A 68 15.642 34.932 14.665 1.00 36.38 H new ATOM 0 HE1 TYR A 68 12.940 32.410 17.471 1.00 33.76 H new ATOM 0 HE2 TYR A 68 16.534 33.991 16.598 1.00 35.67 H new ATOM 0 HH TYR A 68 16.098 32.854 18.512 1.00 36.38 H new ATOM 529 N LYS A 69 11.316 34.276 10.963 1.00 38.65 N ATOM 530 CA LYS A 69 10.502 34.980 9.976 1.00 39.03 C ATOM 531 C LYS A 69 9.804 36.120 10.673 1.00 38.11 C ATOM 532 O LYS A 69 9.011 35.887 11.594 1.00 38.50 O ATOM 533 CB LYS A 69 9.447 34.050 9.360 1.00 39.11 C ATOM 534 CG LYS A 69 10.024 32.938 8.534 1.00 42.25 C ATOM 535 CD LYS A 69 9.023 31.801 8.285 1.00 49.00 C ATOM 536 CE LYS A 69 7.597 32.310 8.047 1.00 52.51 C ATOM 537 NZ LYS A 69 7.440 33.153 6.801 1.00 56.02 N ATOM 0 H LYS A 69 10.919 33.619 11.352 1.00 38.65 H new ATOM 0 HA LYS A 69 11.076 35.301 9.263 1.00 39.03 H new ATOM 0 HB2 LYS A 69 8.911 33.667 10.072 1.00 39.11 H new ATOM 0 HB3 LYS A 69 8.849 34.576 8.806 1.00 39.11 H new ATOM 0 HG2 LYS A 69 10.321 33.294 7.682 1.00 42.25 H new ATOM 0 HG3 LYS A 69 10.807 32.581 8.981 1.00 42.25 H new ATOM 0 HD2 LYS A 69 9.311 31.285 7.516 1.00 49.00 H new ATOM 0 HD3 LYS A 69 9.025 31.201 9.047 1.00 49.00 H new ATOM 0 HE2 LYS A 69 6.998 31.549 7.988 1.00 52.51 H new ATOM 0 HE3 LYS A 69 7.318 32.832 8.816 1.00 52.51 H new ATOM 0 HZ1 LYS A 69 6.693 33.634 6.860 1.00 56.02 H new ATOM 0 HZ2 LYS A 69 8.138 33.699 6.722 1.00 56.02 H new ATOM 0 HZ3 LYS A 69 7.396 32.623 6.087 1.00 56.02 H new ATOM 538 N VAL A 70 10.082 37.351 10.257 1.00 36.85 N ATOM 539 CA VAL A 70 9.371 38.487 10.837 1.00 36.32 C ATOM 540 C VAL A 70 8.309 38.971 9.857 1.00 36.57 C ATOM 541 O VAL A 70 8.623 39.369 8.732 1.00 36.37 O ATOM 542 CB VAL A 70 10.324 39.621 11.286 1.00 36.28 C ATOM 543 CG1 VAL A 70 9.552 40.768 11.920 1.00 34.84 C ATOM 544 CG2 VAL A 70 11.345 39.069 12.260 1.00 35.59 C ATOM 0 H VAL A 70 10.664 37.549 9.655 1.00 36.85 H new ATOM 0 HA VAL A 70 8.931 38.192 11.650 1.00 36.32 H new ATOM 0 HB VAL A 70 10.781 39.969 10.504 1.00 36.28 H new ATOM 0 HG11 VAL A 70 10.171 41.464 12.192 1.00 34.84 H new ATOM 0 HG12 VAL A 70 8.922 41.129 11.277 1.00 34.84 H new ATOM 0 HG13 VAL A 70 9.070 40.444 12.696 1.00 34.84 H new ATOM 0 HG21 VAL A 70 11.942 39.780 12.541 1.00 35.59 H new ATOM 0 HG22 VAL A 70 10.889 38.705 13.035 1.00 35.59 H new ATOM 0 HG23 VAL A 70 11.858 38.368 11.828 1.00 35.59 H new ATOM 545 N LYS A 71 7.050 38.916 10.292 1.00 36.03 N ATOM 546 CA LYS A 71 5.942 39.341 9.463 1.00 35.55 C ATOM 547 C LYS A 71 5.322 40.631 9.990 1.00 35.61 C ATOM 548 O LYS A 71 4.942 40.719 11.159 1.00 35.60 O ATOM 549 CB LYS A 71 4.877 38.238 9.399 1.00 35.17 C ATOM 550 CG LYS A 71 3.700 38.576 8.530 1.00 34.66 C ATOM 551 CD LYS A 71 2.639 37.529 8.681 1.00 38.83 C ATOM 552 CE LYS A 71 1.832 37.414 7.426 1.00 42.52 C ATOM 553 NZ LYS A 71 0.626 36.550 7.646 1.00 46.57 N ATOM 0 H LYS A 71 6.823 38.632 11.071 1.00 36.03 H new ATOM 0 HA LYS A 71 6.283 39.511 8.571 1.00 35.55 H new ATOM 0 HB2 LYS A 71 5.288 37.423 9.069 1.00 35.17 H new ATOM 0 HB3 LYS A 71 4.562 38.053 10.297 1.00 35.17 H new ATOM 0 HG2 LYS A 71 3.346 39.445 8.775 1.00 34.66 H new ATOM 0 HG3 LYS A 71 3.978 38.635 7.603 1.00 34.66 H new ATOM 0 HD2 LYS A 71 3.048 36.674 8.888 1.00 38.83 H new ATOM 0 HD3 LYS A 71 2.059 37.754 9.425 1.00 38.83 H new ATOM 0 HE2 LYS A 71 1.554 38.296 7.133 1.00 42.52 H new ATOM 0 HE3 LYS A 71 2.379 37.039 6.718 1.00 42.52 H new ATOM 0 HZ1 LYS A 71 0.159 36.493 6.890 1.00 46.57 H new ATOM 0 HZ2 LYS A 71 0.885 35.736 7.896 1.00 46.57 H new ATOM 0 HZ3 LYS A 71 0.117 36.907 8.283 1.00 46.57 H new ATOM 554 N LEU A 72 5.230 41.623 9.114 1.00 34.84 N ATOM 555 CA LEU A 72 4.468 42.824 9.389 1.00 34.31 C ATOM 556 C LEU A 72 3.151 42.752 8.634 1.00 34.36 C ATOM 557 O LEU A 72 3.134 42.446 7.442 1.00 34.68 O ATOM 558 CB LEU A 72 5.260 44.067 8.939 1.00 34.09 C ATOM 559 CG LEU A 72 4.526 45.409 8.797 1.00 33.84 C ATOM 560 CD1 LEU A 72 4.128 46.000 10.163 1.00 33.28 C ATOM 561 CD2 LEU A 72 5.353 46.409 7.975 1.00 33.26 C ATOM 0 H LEU A 72 5.610 41.615 8.342 1.00 34.84 H new ATOM 0 HA LEU A 72 4.299 42.892 10.342 1.00 34.31 H new ATOM 0 HB2 LEU A 72 5.985 44.196 9.570 1.00 34.09 H new ATOM 0 HB3 LEU A 72 5.663 43.862 8.081 1.00 34.09 H new ATOM 0 HG LEU A 72 3.703 45.234 8.315 1.00 33.84 H new ATOM 0 HD11 LEU A 72 3.669 46.844 10.029 1.00 33.28 H new ATOM 0 HD12 LEU A 72 3.540 45.382 10.624 1.00 33.28 H new ATOM 0 HD13 LEU A 72 4.925 46.147 10.697 1.00 33.28 H new ATOM 0 HD21 LEU A 72 4.868 47.246 7.900 1.00 33.26 H new ATOM 0 HD22 LEU A 72 6.203 46.566 8.416 1.00 33.26 H new ATOM 0 HD23 LEU A 72 5.511 46.047 7.089 1.00 33.26 H new ATOM 562 N ILE A 73 2.047 43.014 9.325 1.00 34.06 N ATOM 563 CA ILE A 73 0.790 43.297 8.646 1.00 34.17 C ATOM 564 C ILE A 73 0.432 44.755 8.900 1.00 34.36 C ATOM 565 O ILE A 73 0.444 45.219 10.037 1.00 34.46 O ATOM 566 CB ILE A 73 -0.380 42.357 9.052 1.00 33.99 C ATOM 567 CG1 ILE A 73 -0.027 40.902 8.732 1.00 34.29 C ATOM 568 CG2 ILE A 73 -1.662 42.753 8.289 1.00 33.03 C ATOM 569 CD1 ILE A 73 -1.035 39.849 9.285 1.00 33.92 C ATOM 0 H ILE A 73 2.005 43.033 10.184 1.00 34.06 H new ATOM 0 HA ILE A 73 0.922 43.129 7.700 1.00 34.17 H new ATOM 0 HB ILE A 73 -0.531 42.445 10.006 1.00 33.99 H new ATOM 0 HG12 ILE A 73 0.032 40.801 7.769 1.00 34.29 H new ATOM 0 HG13 ILE A 73 0.853 40.709 9.092 1.00 34.29 H new ATOM 0 HG21 ILE A 73 -2.388 42.163 8.547 1.00 33.03 H new ATOM 0 HG22 ILE A 73 -1.898 43.669 8.506 1.00 33.03 H new ATOM 0 HG23 ILE A 73 -1.507 42.677 7.334 1.00 33.03 H new ATOM 0 HD11 ILE A 73 -0.740 38.958 9.040 1.00 33.92 H new ATOM 0 HD12 ILE A 73 -1.080 39.920 10.251 1.00 33.92 H new ATOM 0 HD13 ILE A 73 -1.914 40.013 8.908 1.00 33.92 H new ATOM 570 N VAL A 74 0.165 45.472 7.818 1.00 34.59 N ATOM 571 CA VAL A 74 -0.261 46.864 7.870 1.00 35.01 C ATOM 572 C VAL A 74 -1.743 46.866 7.528 1.00 35.12 C ATOM 573 O VAL A 74 -2.136 46.279 6.524 1.00 34.70 O ATOM 574 CB VAL A 74 0.542 47.741 6.845 1.00 35.28 C ATOM 575 CG1 VAL A 74 -0.073 49.124 6.710 1.00 34.13 C ATOM 576 CG2 VAL A 74 1.987 47.866 7.282 1.00 35.63 C ATOM 0 H VAL A 74 0.227 45.159 7.019 1.00 34.59 H new ATOM 0 HA VAL A 74 -0.097 47.244 8.747 1.00 35.01 H new ATOM 0 HB VAL A 74 0.504 47.301 5.981 1.00 35.28 H new ATOM 0 HG11 VAL A 74 0.440 49.646 6.073 1.00 34.13 H new ATOM 0 HG12 VAL A 74 -0.988 49.042 6.399 1.00 34.13 H new ATOM 0 HG13 VAL A 74 -0.064 49.568 7.572 1.00 34.13 H new ATOM 0 HG21 VAL A 74 2.473 48.409 6.642 1.00 35.63 H new ATOM 0 HG22 VAL A 74 2.026 48.285 8.156 1.00 35.63 H new ATOM 0 HG23 VAL A 74 2.389 46.984 7.328 1.00 35.63 H new ATOM 577 N THR A 75 -2.556 47.505 8.373 1.00 35.35 N ATOM 578 CA THR A 75 -3.997 47.590 8.163 1.00 35.56 C ATOM 579 C THR A 75 -4.397 49.058 8.099 1.00 35.97 C ATOM 580 O THR A 75 -4.004 49.837 8.959 1.00 36.54 O ATOM 581 CB THR A 75 -4.780 46.859 9.297 1.00 35.39 C ATOM 582 OG1 THR A 75 -4.347 45.493 9.378 1.00 35.57 O ATOM 583 CG2 THR A 75 -6.288 46.886 9.050 1.00 34.53 C ATOM 0 H THR A 75 -2.283 47.902 9.086 1.00 35.35 H new ATOM 0 HA THR A 75 -4.222 47.150 7.328 1.00 35.56 H new ATOM 0 HB THR A 75 -4.597 47.324 10.128 1.00 35.39 H new ATOM 0 HG1 THR A 75 -4.105 45.322 10.164 1.00 35.57 H new ATOM 0 HG21 THR A 75 -6.743 46.424 9.772 1.00 34.53 H new ATOM 0 HG22 THR A 75 -6.593 47.806 9.012 1.00 34.53 H new ATOM 0 HG23 THR A 75 -6.486 46.445 8.209 1.00 34.53 H new ATOM 584 N ASP A 76 -5.166 49.435 7.083 1.00 35.70 N ATOM 585 CA ASP A 76 -5.554 50.832 6.915 1.00 36.07 C ATOM 586 C ASP A 76 -6.812 51.191 7.723 1.00 36.72 C ATOM 587 O ASP A 76 -7.373 50.337 8.433 1.00 36.32 O ATOM 588 CB ASP A 76 -5.673 51.216 5.422 1.00 35.56 C ATOM 589 CG ASP A 76 -6.866 50.567 4.710 1.00 35.36 C ATOM 590 OD1 ASP A 76 -7.799 50.072 5.353 1.00 36.26 O ATOM 591 OD2 ASP A 76 -6.870 50.547 3.466 1.00 36.96 O ATOM 0 H ASP A 76 -5.473 48.901 6.483 1.00 35.70 H new ATOM 0 HA ASP A 76 -4.838 51.373 7.285 1.00 36.07 H new ATOM 0 HB2 ASP A 76 -5.749 52.180 5.350 1.00 35.56 H new ATOM 0 HB3 ASP A 76 -4.856 50.961 4.965 1.00 35.56 H new ATOM 592 N ASN A 77 -7.244 52.451 7.609 1.00 37.30 N ATOM 593 CA ASN A 77 -8.418 52.962 8.337 1.00 37.90 C ATOM 594 C ASN A 77 -9.748 52.311 7.928 1.00 38.10 C ATOM 595 O ASN A 77 -10.774 52.546 8.563 1.00 38.43 O ATOM 596 CB ASN A 77 -8.523 54.488 8.173 1.00 37.54 C ATOM 597 CG ASN A 77 -8.663 54.903 6.717 1.00 38.72 C ATOM 598 OD1 ASN A 77 -7.752 54.694 5.903 1.00 38.22 O ATOM 599 ND2 ASN A 77 -9.811 55.481 6.375 1.00 39.99 N ATOM 0 H ASN A 77 -6.865 53.037 7.106 1.00 37.30 H new ATOM 0 HA ASN A 77 -8.271 52.725 9.266 1.00 37.90 H new ATOM 0 HB2 ASN A 77 -9.287 54.813 8.675 1.00 37.54 H new ATOM 0 HB3 ASN A 77 -7.735 54.907 8.552 1.00 37.54 H new ATOM 0 HD21 ASN A 77 -9.944 55.726 5.561 1.00 39.99 H new ATOM 0 HD22 ASN A 77 -10.421 55.610 6.968 1.00 39.99 H new ATOM 600 N GLN A 78 -9.739 51.514 6.862 1.00 38.09 N ATOM 601 CA GLN A 78 -10.959 50.834 6.419 1.00 38.48 C ATOM 602 C GLN A 78 -10.876 49.313 6.544 1.00 38.26 C ATOM 603 O GLN A 78 -11.759 48.593 6.078 1.00 38.60 O ATOM 604 CB GLN A 78 -11.353 51.262 5.001 1.00 38.23 C ATOM 605 CG GLN A 78 -11.897 52.695 4.913 1.00 38.48 C ATOM 606 CD GLN A 78 -12.030 53.183 3.473 1.00 39.65 C ATOM 607 OE1 GLN A 78 -13.133 53.232 2.922 1.00 42.82 O ATOM 608 NE2 GLN A 78 -10.910 53.531 2.856 1.00 38.75 N ATOM 0 H GLN A 78 -9.043 51.353 6.383 1.00 38.09 H new ATOM 0 HA GLN A 78 -11.663 51.116 7.024 1.00 38.48 H new ATOM 0 HB2 GLN A 78 -10.579 51.183 4.422 1.00 38.23 H new ATOM 0 HB3 GLN A 78 -12.024 50.649 4.662 1.00 38.23 H new ATOM 0 HG2 GLN A 78 -12.764 52.736 5.346 1.00 38.48 H new ATOM 0 HG3 GLN A 78 -11.308 53.292 5.400 1.00 38.48 H new ATOM 0 HE21 GLN A 78 -10.158 53.484 3.271 1.00 38.75 H new ATOM 0 HE22 GLN A 78 -10.935 53.804 2.041 1.00 38.75 H new ATOM 609 N GLY A 79 -9.825 48.829 7.200 1.00 38.29 N ATOM 610 CA GLY A 79 -9.707 47.408 7.496 1.00 37.69 C ATOM 611 C GLY A 79 -9.022 46.576 6.429 1.00 37.44 C ATOM 612 O GLY A 79 -8.942 45.363 6.572 1.00 37.72 O ATOM 0 H GLY A 79 -9.169 49.309 7.482 1.00 38.29 H new ATOM 0 HA2 GLY A 79 -9.218 47.306 8.328 1.00 37.69 H new ATOM 0 HA3 GLY A 79 -10.596 47.049 7.644 1.00 37.69 H new ATOM 613 N ALA A 80 -8.528 47.221 5.366 1.00 36.95 N ATOM 614 CA ALA A 80 -7.759 46.527 4.322 1.00 36.72 C ATOM 615 C ALA A 80 -6.304 46.350 4.760 1.00 36.78 C ATOM 616 O ALA A 80 -5.714 47.255 5.367 1.00 36.67 O ATOM 617 CB ALA A 80 -7.838 47.264 2.990 1.00 35.97 C ATOM 0 H ALA A 80 -8.627 48.064 5.230 1.00 36.95 H new ATOM 0 HA ALA A 80 -8.152 45.650 4.194 1.00 36.72 H new ATOM 0 HB1 ALA A 80 -7.323 46.784 2.323 1.00 35.97 H new ATOM 0 HB2 ALA A 80 -8.763 47.319 2.705 1.00 35.97 H new ATOM 0 HB3 ALA A 80 -7.478 48.159 3.093 1.00 35.97 H new ATOM 618 N SER A 81 -5.730 45.187 4.468 1.00 36.21 N ATOM 619 CA SER A 81 -4.375 44.898 4.916 1.00 36.59 C ATOM 620 C SER A 81 -3.464 44.332 3.823 1.00 36.40 C ATOM 621 O SER A 81 -3.936 43.744 2.840 1.00 35.99 O ATOM 622 CB SER A 81 -4.415 43.935 6.101 1.00 36.64 C ATOM 623 OG SER A 81 -5.027 42.728 5.687 1.00 39.08 O ATOM 0 H SER A 81 -6.104 44.558 4.016 1.00 36.21 H new ATOM 0 HA SER A 81 -3.991 45.750 5.177 1.00 36.59 H new ATOM 0 HB2 SER A 81 -3.517 43.763 6.424 1.00 36.64 H new ATOM 0 HB3 SER A 81 -4.911 44.328 6.837 1.00 36.64 H new ATOM 0 HG SER A 81 -5.052 42.191 6.332 1.00 39.08 H new ATOM 624 N SER A 82 -2.161 44.531 4.021 1.00 36.20 N ATOM 625 CA SER A 82 -1.104 43.925 3.222 1.00 35.91 C ATOM 626 C SER A 82 -0.032 43.453 4.185 1.00 35.65 C ATOM 627 O SER A 82 0.112 44.000 5.291 1.00 35.42 O ATOM 628 CB SER A 82 -0.470 44.952 2.269 1.00 36.45 C ATOM 629 OG SER A 82 -1.420 45.491 1.355 1.00 37.19 O ATOM 0 H SER A 82 -1.861 45.040 4.646 1.00 36.20 H new ATOM 0 HA SER A 82 -1.473 43.200 2.693 1.00 35.91 H new ATOM 0 HB2 SER A 82 -0.076 45.672 2.786 1.00 36.45 H new ATOM 0 HB3 SER A 82 0.250 44.531 1.774 1.00 36.45 H new ATOM 0 HG SER A 82 -1.224 46.290 1.185 1.00 37.19 H new ATOM 630 N SER A 83 0.739 42.457 3.767 1.00 35.01 N ATOM 631 CA SER A 83 1.808 41.955 4.616 1.00 34.37 C ATOM 632 C SER A 83 3.162 41.888 3.909 1.00 33.90 C ATOM 633 O SER A 83 3.244 41.810 2.682 1.00 33.45 O ATOM 634 CB SER A 83 1.435 40.594 5.230 1.00 33.73 C ATOM 635 OG SER A 83 1.525 39.556 4.268 1.00 35.09 O ATOM 0 H SER A 83 0.661 42.063 3.006 1.00 35.01 H new ATOM 0 HA SER A 83 1.910 42.601 5.333 1.00 34.37 H new ATOM 0 HB2 SER A 83 2.025 40.400 5.975 1.00 33.73 H new ATOM 0 HB3 SER A 83 0.533 40.633 5.585 1.00 33.73 H new ATOM 0 HG SER A 83 2.317 39.280 4.226 1.00 35.09 H new ATOM 636 N PHE A 84 4.216 41.912 4.718 1.00 33.45 N ATOM 637 CA PHE A 84 5.586 41.849 4.243 1.00 33.46 C ATOM 638 C PHE A 84 6.346 41.020 5.254 1.00 33.56 C ATOM 639 O PHE A 84 6.321 41.323 6.447 1.00 34.10 O ATOM 640 CB PHE A 84 6.184 43.258 4.144 1.00 32.86 C ATOM 641 CG PHE A 84 7.558 43.291 3.532 1.00 32.70 C ATOM 642 CD1 PHE A 84 8.695 43.198 4.329 1.00 32.13 C ATOM 643 CD2 PHE A 84 7.716 43.400 2.151 1.00 31.30 C ATOM 644 CE1 PHE A 84 9.971 43.233 3.751 1.00 32.62 C ATOM 645 CE2 PHE A 84 8.966 43.428 1.575 1.00 30.96 C ATOM 646 CZ PHE A 84 10.102 43.351 2.370 1.00 31.91 C ATOM 0 H PHE A 84 4.150 41.966 5.574 1.00 33.45 H new ATOM 0 HA PHE A 84 5.635 41.456 3.358 1.00 33.46 H new ATOM 0 HB2 PHE A 84 5.591 43.816 3.617 1.00 32.86 H new ATOM 0 HB3 PHE A 84 6.225 43.646 5.032 1.00 32.86 H new ATOM 0 HD1 PHE A 84 8.607 43.112 5.251 1.00 32.13 H new ATOM 0 HD2 PHE A 84 6.963 43.455 1.609 1.00 31.30 H new ATOM 0 HE1 PHE A 84 10.728 43.178 4.288 1.00 32.62 H new ATOM 0 HE2 PHE A 84 9.050 43.499 0.651 1.00 30.96 H new ATOM 0 HZ PHE A 84 10.947 43.378 1.982 1.00 31.91 H new ATOM 647 N THR A 85 7.004 39.968 4.789 1.00 33.40 N ATOM 648 CA THR A 85 7.726 39.070 5.675 1.00 33.96 C ATOM 649 C THR A 85 9.195 39.028 5.265 1.00 35.11 C ATOM 650 O THR A 85 9.504 38.787 4.091 1.00 35.01 O ATOM 651 CB THR A 85 7.119 37.631 5.650 1.00 34.07 C ATOM 652 OG1 THR A 85 5.736 37.683 6.001 1.00 31.82 O ATOM 653 CG2 THR A 85 7.850 36.677 6.594 1.00 33.89 C ATOM 0 H THR A 85 7.045 39.756 3.957 1.00 33.40 H new ATOM 0 HA THR A 85 7.647 39.406 6.582 1.00 33.96 H new ATOM 0 HB THR A 85 7.223 37.289 4.748 1.00 34.07 H new ATOM 0 HG1 THR A 85 5.286 37.918 5.332 1.00 31.82 H new ATOM 0 HG21 THR A 85 7.442 35.798 6.547 1.00 33.89 H new ATOM 0 HG22 THR A 85 8.782 36.614 6.333 1.00 33.89 H new ATOM 0 HG23 THR A 85 7.791 37.012 7.502 1.00 33.89 H new ATOM 654 N ALA A 86 10.088 39.295 6.220 1.00 35.49 N ATOM 655 CA ALA A 86 11.533 39.168 5.992 1.00 36.76 C ATOM 656 C ALA A 86 12.139 38.195 6.988 1.00 37.93 C ATOM 657 O ALA A 86 11.571 37.967 8.053 1.00 38.61 O ATOM 658 CB ALA A 86 12.229 40.530 6.085 1.00 36.02 C ATOM 0 H ALA A 86 9.877 39.553 7.013 1.00 35.49 H new ATOM 0 HA ALA A 86 11.668 38.824 5.095 1.00 36.76 H new ATOM 0 HB1 ALA A 86 13.180 40.419 5.931 1.00 36.02 H new ATOM 0 HB2 ALA A 86 11.861 41.128 5.416 1.00 36.02 H new ATOM 0 HB3 ALA A 86 12.087 40.907 6.967 1.00 36.02 H new ATOM 659 N THR A 87 13.291 37.630 6.642 1.00 39.15 N ATOM 660 CA THR A 87 14.009 36.702 7.516 1.00 40.26 C ATOM 661 C THR A 87 15.135 37.424 8.262 1.00 40.67 C ATOM 662 O THR A 87 15.817 38.274 7.691 1.00 41.14 O ATOM 663 CB THR A 87 14.550 35.507 6.692 1.00 40.94 C ATOM 664 OG1 THR A 87 13.482 34.580 6.450 1.00 42.34 O ATOM 665 CG2 THR A 87 15.690 34.777 7.416 1.00 41.35 C ATOM 0 H THR A 87 13.682 37.774 5.890 1.00 39.15 H new ATOM 0 HA THR A 87 13.394 36.356 8.181 1.00 40.26 H new ATOM 0 HB THR A 87 14.901 35.857 5.858 1.00 40.94 H new ATOM 0 HG1 THR A 87 13.770 33.931 6.002 1.00 42.34 H new ATOM 0 HG21 THR A 87 16.000 34.038 6.869 1.00 41.35 H new ATOM 0 HG22 THR A 87 16.423 35.394 7.571 1.00 41.35 H new ATOM 0 HG23 THR A 87 15.369 34.437 8.266 1.00 41.35 H new ATOM 666 N ILE A 88 15.316 37.094 9.538 1.00 41.15 N ATOM 667 CA ILE A 88 16.377 37.681 10.351 1.00 41.25 C ATOM 668 C ILE A 88 17.167 36.571 11.043 1.00 41.23 C ATOM 669 O ILE A 88 16.589 35.651 11.613 1.00 40.97 O ATOM 670 CB ILE A 88 15.834 38.776 11.361 1.00 41.44 C ATOM 671 CG1 ILE A 88 16.997 39.482 12.078 1.00 41.77 C ATOM 672 CG2 ILE A 88 14.858 38.192 12.371 1.00 41.33 C ATOM 673 CD1 ILE A 88 16.585 40.654 12.986 1.00 41.46 C ATOM 0 H ILE A 88 14.827 36.524 9.957 1.00 41.15 H new ATOM 0 HA ILE A 88 16.983 38.162 9.766 1.00 41.25 H new ATOM 0 HB ILE A 88 15.348 39.431 10.836 1.00 41.44 H new ATOM 0 HG12 ILE A 88 17.474 38.828 12.613 1.00 41.77 H new ATOM 0 HG13 ILE A 88 17.619 39.811 11.410 1.00 41.77 H new ATOM 0 HG21 ILE A 88 14.551 38.893 12.967 1.00 41.33 H new ATOM 0 HG22 ILE A 88 14.098 37.810 11.904 1.00 41.33 H new ATOM 0 HG23 ILE A 88 15.301 37.500 12.887 1.00 41.33 H new ATOM 0 HD11 ILE A 88 17.375 41.039 13.396 1.00 41.46 H new ATOM 0 HD12 ILE A 88 16.133 41.330 12.457 1.00 41.46 H new ATOM 0 HD13 ILE A 88 15.986 40.332 13.678 1.00 41.46 H new ATOM 674 N LYS A 89 18.492 36.648 10.966 1.00 41.65 N ATOM 675 CA LYS A 89 19.347 35.642 11.572 1.00 42.25 C ATOM 676 C LYS A 89 19.943 36.179 12.849 1.00 42.01 C ATOM 677 O LYS A 89 20.510 37.268 12.872 1.00 42.17 O ATOM 678 CB LYS A 89 20.458 35.183 10.603 1.00 42.51 C ATOM 679 CG LYS A 89 21.275 33.999 11.122 1.00 43.18 C ATOM 680 CD LYS A 89 22.145 33.373 10.025 1.00 43.50 C ATOM 681 CE LYS A 89 22.798 32.084 10.514 1.00 46.68 C ATOM 682 NZ LYS A 89 23.873 31.573 9.590 1.00 48.69 N ATOM 0 H LYS A 89 18.915 37.280 10.564 1.00 41.65 H new ATOM 0 HA LYS A 89 18.803 34.865 11.777 1.00 42.25 H new ATOM 0 HB2 LYS A 89 20.056 34.941 9.754 1.00 42.51 H new ATOM 0 HB3 LYS A 89 21.055 35.928 10.432 1.00 42.51 H new ATOM 0 HG2 LYS A 89 21.841 34.294 11.853 1.00 43.18 H new ATOM 0 HG3 LYS A 89 20.675 33.326 11.481 1.00 43.18 H new ATOM 0 HD2 LYS A 89 21.602 33.188 9.243 1.00 43.50 H new ATOM 0 HD3 LYS A 89 22.830 34.003 9.752 1.00 43.50 H new ATOM 0 HE2 LYS A 89 23.180 32.236 11.392 1.00 46.68 H new ATOM 0 HE3 LYS A 89 22.116 31.402 10.615 1.00 46.68 H new ATOM 0 HZ1 LYS A 89 24.218 30.823 9.922 1.00 48.69 H new ATOM 0 HZ2 LYS A 89 23.522 31.408 8.789 1.00 48.69 H new ATOM 0 HZ3 LYS A 89 24.514 32.185 9.513 1.00 48.69 H new ATOM 683 N VAL A 90 19.791 35.414 13.918 1.00 41.99 N ATOM 684 CA VAL A 90 20.337 35.786 15.209 1.00 42.15 C ATOM 685 C VAL A 90 21.373 34.738 15.563 1.00 42.63 C ATOM 686 O VAL A 90 21.080 33.543 15.571 1.00 42.90 O ATOM 687 CB VAL A 90 19.240 35.871 16.328 1.00 41.22 C ATOM 688 CG1 VAL A 90 19.805 36.509 17.573 1.00 41.22 C ATOM 689 CG2 VAL A 90 18.050 36.663 15.845 1.00 40.96 C ATOM 0 H VAL A 90 19.368 34.665 13.915 1.00 41.99 H new ATOM 0 HA VAL A 90 20.726 36.673 15.153 1.00 42.15 H new ATOM 0 HB VAL A 90 18.952 34.969 16.538 1.00 41.22 H new ATOM 0 HG11 VAL A 90 19.116 36.555 18.255 1.00 41.22 H new ATOM 0 HG12 VAL A 90 20.548 35.978 17.900 1.00 41.22 H new ATOM 0 HG13 VAL A 90 20.114 37.405 17.366 1.00 41.22 H new ATOM 0 HG21 VAL A 90 17.383 36.706 16.548 1.00 40.96 H new ATOM 0 HG22 VAL A 90 18.332 37.562 15.612 1.00 40.96 H new ATOM 0 HG23 VAL A 90 17.669 36.232 15.064 1.00 40.96 H new ATOM 690 N THR A 91 22.586 35.199 15.850 1.00 43.52 N ATOM 691 CA THR A 91 23.663 34.318 16.271 1.00 44.24 C ATOM 692 C THR A 91 23.936 34.555 17.741 1.00 44.27 C ATOM 693 O THR A 91 23.613 35.612 18.270 1.00 44.75 O ATOM 694 CB THR A 91 24.955 34.509 15.420 1.00 44.16 C ATOM 695 OG1 THR A 91 25.324 35.889 15.392 1.00 45.36 O ATOM 696 CG2 THR A 91 24.732 34.040 13.995 1.00 44.88 C ATOM 0 H THR A 91 22.805 36.029 15.806 1.00 43.52 H new ATOM 0 HA THR A 91 23.385 33.400 16.130 1.00 44.24 H new ATOM 0 HB THR A 91 25.661 33.983 15.827 1.00 44.16 H new ATOM 0 HG1 THR A 91 26.021 35.984 14.933 1.00 45.36 H new ATOM 0 HG21 THR A 91 25.545 34.166 13.482 1.00 44.88 H new ATOM 0 HG22 THR A 91 24.494 33.100 13.997 1.00 44.88 H new ATOM 0 HG23 THR A 91 24.014 34.554 13.594 1.00 44.88 H new ATOM 697 N SER A 92 24.517 33.559 18.396 1.00 44.26 N ATOM 698 CA SER A 92 24.807 33.610 19.815 1.00 44.23 C ATOM 699 C SER A 92 25.829 34.723 20.118 1.00 44.34 C ATOM 700 O SER A 92 26.829 34.864 19.408 1.00 44.16 O ATOM 701 CB SER A 92 25.285 32.223 20.256 1.00 44.32 C ATOM 702 OG SER A 92 25.941 32.240 21.504 1.00 45.73 O ATOM 0 H SER A 92 24.757 32.824 18.020 1.00 44.26 H new ATOM 0 HA SER A 92 24.011 33.834 20.323 1.00 44.23 H new ATOM 0 HB2 SER A 92 24.524 31.624 20.304 1.00 44.32 H new ATOM 0 HB3 SER A 92 25.886 31.865 19.585 1.00 44.32 H new ATOM 0 HG SER A 92 26.758 32.398 21.389 1.00 45.73 H new ATOM 703 N ALA A 93 25.549 35.531 21.146 1.00 44.34 N ATOM 704 CA ALA A 93 26.404 36.670 21.522 1.00 44.37 C ATOM 705 C ALA A 93 27.751 36.209 22.068 1.00 44.54 C ATOM 706 O ALA A 93 28.802 36.756 21.713 1.00 44.24 O ATOM 707 CB ALA A 93 25.693 37.572 22.539 1.00 44.22 C ATOM 0 H ALA A 93 24.857 35.435 21.647 1.00 44.34 H new ATOM 0 HA ALA A 93 26.573 37.183 20.716 1.00 44.37 H new ATOM 0 HB1 ALA A 93 26.271 38.315 22.773 1.00 44.22 H new ATOM 0 HB2 ALA A 93 24.872 37.912 22.151 1.00 44.22 H new ATOM 0 HB3 ALA A 93 25.486 37.060 23.336 1.00 44.22 H new ATOM 708 N THR A 94 27.698 35.192 22.925 1.00 44.76 N ATOM 709 CA THR A 94 28.880 34.582 23.517 1.00 45.11 C ATOM 710 C THR A 94 28.884 33.081 23.206 1.00 45.50 C ATOM 711 O THR A 94 27.838 32.487 22.934 1.00 45.66 O ATOM 712 CB THR A 94 28.909 34.796 25.049 1.00 45.24 C ATOM 713 OG1 THR A 94 27.732 34.225 25.636 1.00 45.52 O ATOM 714 CG2 THR A 94 28.959 36.289 25.396 1.00 44.97 C ATOM 0 H THR A 94 26.960 34.833 23.182 1.00 44.76 H new ATOM 0 HA THR A 94 29.668 35.002 23.138 1.00 45.11 H new ATOM 0 HB THR A 94 29.705 34.365 25.399 1.00 45.24 H new ATOM 0 HG1 THR A 94 27.749 34.340 26.468 1.00 45.52 H new ATOM 0 HG21 THR A 94 28.976 36.397 26.360 1.00 44.97 H new ATOM 0 HG22 THR A 94 29.758 36.684 25.012 1.00 44.97 H new ATOM 0 HG23 THR A 94 28.175 36.732 25.036 1.00 44.97 H new ATOM 715 N GLY A 95 30.055 32.465 23.238 1.00 45.52 N ATOM 716 CA GLY A 95 30.127 31.024 23.049 1.00 46.09 C ATOM 717 C GLY A 95 30.067 30.587 21.596 1.00 46.08 C ATOM 718 O GLY A 95 30.089 31.416 20.679 1.00 46.37 O ATOM 0 H GLY A 95 30.811 32.855 23.366 1.00 45.52 H new ATOM 0 HA2 GLY A 95 30.951 30.697 23.442 1.00 46.09 H new ATOM 0 HA3 GLY A 95 29.397 30.607 23.533 1.00 46.09 H new ATOM 719 N ASP A 96 29.965 29.276 21.392 1.00 45.95 N ATOM 720 CA ASP A 96 30.144 28.676 20.072 1.00 45.82 C ATOM 721 C ASP A 96 29.358 27.375 19.957 1.00 45.95 C ATOM 722 O ASP A 96 29.671 26.390 20.642 1.00 45.77 O ATOM 723 CB ASP A 96 31.633 28.411 19.848 1.00 45.55 C ATOM 724 CG ASP A 96 31.958 27.944 18.433 1.00 45.48 C ATOM 725 OD1 ASP A 96 31.053 27.746 17.596 1.00 45.47 O ATOM 726 OD2 ASP A 96 33.156 27.778 18.161 1.00 45.08 O ATOM 0 H ASP A 96 29.790 28.709 22.015 1.00 45.95 H new ATOM 0 HA ASP A 96 29.811 29.287 19.396 1.00 45.82 H new ATOM 0 HB2 ASP A 96 32.131 29.222 20.036 1.00 45.55 H new ATOM 0 HB3 ASP A 96 31.934 27.740 20.480 1.00 45.55 H new ATOM 727 N ASN A 97 28.354 27.385 19.078 1.00 46.08 N ATOM 728 CA ASN A 97 27.449 26.250 18.883 1.00 46.37 C ATOM 729 C ASN A 97 27.843 25.308 17.747 1.00 46.24 C ATOM 730 O ASN A 97 27.093 24.383 17.425 1.00 46.69 O ATOM 731 CB ASN A 97 26.011 26.737 18.663 1.00 46.39 C ATOM 732 CG ASN A 97 25.464 27.514 19.849 1.00 47.37 C ATOM 733 OD1 ASN A 97 24.605 28.384 19.688 1.00 47.72 O ATOM 734 ND2 ASN A 97 25.956 27.204 21.046 1.00 48.15 N ATOM 0 H ASN A 97 28.178 28.058 18.573 1.00 46.08 H new ATOM 0 HA ASN A 97 27.516 25.734 19.701 1.00 46.37 H new ATOM 0 HB2 ASN A 97 25.982 27.298 17.873 1.00 46.39 H new ATOM 0 HB3 ASN A 97 25.438 25.973 18.490 1.00 46.39 H new ATOM 0 HD21 ASN A 97 25.675 27.617 21.746 1.00 48.15 H new ATOM 0 HD22 ASN A 97 26.555 26.591 21.119 1.00 48.15 H new ATOM 735 N SER A 98 29.009 25.553 17.147 1.00 46.00 N ATOM 736 CA SER A 98 29.547 24.730 16.060 1.00 45.65 C ATOM 737 C SER A 98 29.663 23.277 16.467 1.00 45.16 C ATOM 738 O SER A 98 29.889 22.977 17.637 1.00 45.14 O ATOM 739 CB SER A 98 30.938 25.217 15.671 1.00 45.74 C ATOM 740 OG SER A 98 30.907 26.575 15.282 1.00 46.86 O ATOM 0 H SER A 98 29.518 26.212 17.363 1.00 46.00 H new ATOM 0 HA SER A 98 28.932 24.808 15.314 1.00 45.65 H new ATOM 0 HB2 SER A 98 31.545 25.105 16.419 1.00 45.74 H new ATOM 0 HB3 SER A 98 31.282 24.676 14.943 1.00 45.74 H new ATOM 0 HG SER A 98 31.071 27.061 15.947 1.00 46.86 H new ATOM 741 N LYS A 99 29.528 22.383 15.490 1.00 44.84 N ATOM 742 CA LYS A 99 29.753 20.956 15.701 1.00 44.56 C ATOM 743 C LYS A 99 31.094 20.707 16.396 1.00 44.46 C ATOM 744 O LYS A 99 31.167 19.939 17.359 1.00 44.67 O ATOM 745 CB LYS A 99 29.675 20.200 14.374 1.00 44.39 C ATOM 746 CG LYS A 99 28.259 20.117 13.795 1.00 44.25 C ATOM 747 CD LYS A 99 27.415 19.089 14.535 1.00 44.12 C ATOM 748 CE LYS A 99 25.991 19.010 13.979 1.00 45.83 C ATOM 749 NZ LYS A 99 25.245 20.292 14.126 1.00 45.95 N ATOM 0 H LYS A 99 29.303 22.588 14.686 1.00 44.84 H new ATOM 0 HA LYS A 99 29.053 20.622 16.283 1.00 44.56 H new ATOM 0 HB2 LYS A 99 30.255 20.634 13.729 1.00 44.39 H new ATOM 0 HB3 LYS A 99 30.017 19.301 14.502 1.00 44.39 H new ATOM 0 HG2 LYS A 99 27.834 20.987 13.850 1.00 44.25 H new ATOM 0 HG3 LYS A 99 28.306 19.883 12.855 1.00 44.25 H new ATOM 0 HD2 LYS A 99 27.836 18.218 14.469 1.00 44.12 H new ATOM 0 HD3 LYS A 99 27.381 19.317 15.477 1.00 44.12 H new ATOM 0 HE2 LYS A 99 26.027 18.767 13.041 1.00 45.83 H new ATOM 0 HE3 LYS A 99 25.508 18.304 14.437 1.00 45.83 H new ATOM 0 HZ1 LYS A 99 24.390 20.120 14.302 1.00 45.95 H new ATOM 0 HZ2 LYS A 99 25.595 20.765 14.794 1.00 45.95 H new ATOM 0 HZ3 LYS A 99 25.304 20.758 13.370 1.00 45.95 H new ATOM 750 N PHE A 100 32.142 21.364 15.900 1.00 44.20 N ATOM 751 CA PHE A 100 33.446 21.401 16.563 1.00 44.02 C ATOM 752 C PHE A 100 33.725 22.839 16.943 1.00 43.35 C ATOM 753 O PHE A 100 34.079 23.664 16.098 1.00 42.96 O ATOM 754 CB PHE A 100 34.558 20.837 15.660 1.00 44.40 C ATOM 755 CG PHE A 100 34.469 19.357 15.459 1.00 45.27 C ATOM 756 CD1 PHE A 100 34.918 18.482 16.441 1.00 46.81 C ATOM 757 CD2 PHE A 100 33.933 18.833 14.292 1.00 46.37 C ATOM 758 CE1 PHE A 100 34.820 17.109 16.265 1.00 47.39 C ATOM 759 CE2 PHE A 100 33.842 17.462 14.105 1.00 46.61 C ATOM 760 CZ PHE A 100 34.277 16.604 15.090 1.00 46.68 C ATOM 0 H PHE A 100 32.116 21.805 15.162 1.00 44.20 H new ATOM 0 HA PHE A 100 33.430 20.840 17.354 1.00 44.02 H new ATOM 0 HB2 PHE A 100 34.518 21.277 14.796 1.00 44.40 H new ATOM 0 HB3 PHE A 100 35.421 21.052 16.048 1.00 44.40 H new ATOM 0 HD1 PHE A 100 35.288 18.820 17.224 1.00 46.81 H new ATOM 0 HD2 PHE A 100 33.631 19.408 13.627 1.00 46.37 H new ATOM 0 HE1 PHE A 100 35.116 16.530 16.930 1.00 47.39 H new ATOM 0 HE2 PHE A 100 33.488 17.122 13.315 1.00 46.61 H new ATOM 0 HZ PHE A 100 34.207 15.685 14.969 1.00 46.68 H new ATOM 761 N ASN A 101 33.530 23.125 18.226 1.00 43.11 N ATOM 762 CA ASN A 101 33.594 24.479 18.756 1.00 42.92 C ATOM 763 C ASN A 101 34.789 24.699 19.685 1.00 42.88 C ATOM 764 O ASN A 101 35.209 25.841 19.911 1.00 43.15 O ATOM 765 CB ASN A 101 32.275 24.833 19.464 1.00 42.66 C ATOM 766 CG ASN A 101 31.898 23.840 20.566 1.00 42.71 C ATOM 767 OD1 ASN A 101 32.564 23.743 21.599 1.00 42.08 O ATOM 768 ND2 ASN A 101 30.808 23.115 20.352 1.00 42.76 N ATOM 0 H ASN A 101 33.354 22.529 18.820 1.00 43.11 H new ATOM 0 HA ASN A 101 33.723 25.075 18.002 1.00 42.92 H new ATOM 0 HB2 ASN A 101 32.349 25.721 19.848 1.00 42.66 H new ATOM 0 HB3 ASN A 101 31.561 24.866 18.808 1.00 42.66 H new ATOM 0 HD21 ASN A 101 30.543 22.552 20.946 1.00 42.76 H new ATOM 0 HD22 ASN A 101 30.367 23.208 19.620 1.00 42.76 H new ATOM 769 N PHE A 102 35.301 23.593 20.230 1.00 42.75 N ATOM 770 CA PHE A 102 36.521 23.541 21.055 1.00 42.56 C ATOM 771 C PHE A 102 36.434 24.299 22.375 1.00 42.86 C ATOM 772 O PHE A 102 37.461 24.610 22.986 1.00 43.14 O ATOM 773 CB PHE A 102 37.764 23.926 20.231 1.00 42.26 C ATOM 774 CG PHE A 102 37.919 23.105 18.973 1.00 41.60 C ATOM 775 CD1 PHE A 102 38.381 21.792 19.038 1.00 41.24 C ATOM 776 CD2 PHE A 102 37.583 23.636 17.730 1.00 40.57 C ATOM 777 CE1 PHE A 102 38.506 21.021 17.882 1.00 40.37 C ATOM 778 CE2 PHE A 102 37.711 22.880 16.570 1.00 40.30 C ATOM 779 CZ PHE A 102 38.166 21.569 16.646 1.00 40.31 C ATOM 0 H PHE A 102 34.936 22.821 20.127 1.00 42.75 H new ATOM 0 HA PHE A 102 36.613 22.614 21.326 1.00 42.56 H new ATOM 0 HB2 PHE A 102 37.710 24.865 19.993 1.00 42.26 H new ATOM 0 HB3 PHE A 102 38.556 23.818 20.781 1.00 42.26 H new ATOM 0 HD1 PHE A 102 38.609 21.425 19.862 1.00 41.24 H new ATOM 0 HD2 PHE A 102 37.268 24.509 17.675 1.00 40.57 H new ATOM 0 HE1 PHE A 102 38.815 20.145 17.936 1.00 40.37 H new ATOM 0 HE2 PHE A 102 37.493 23.251 15.745 1.00 40.30 H new ATOM 0 HZ PHE A 102 38.244 21.058 15.873 1.00 40.31 H new ATOM 780 N GLU A 103 35.203 24.558 22.820 1.00 43.00 N ATOM 781 CA GLU A 103 34.946 25.314 24.051 1.00 43.35 C ATOM 782 C GLU A 103 35.205 24.520 25.336 1.00 43.66 C ATOM 783 O GLU A 103 35.411 25.108 26.398 1.00 44.00 O ATOM 784 CB GLU A 103 33.514 25.866 24.060 1.00 43.11 C ATOM 785 CG GLU A 103 33.185 26.825 22.916 1.00 42.91 C ATOM 786 CD GLU A 103 34.180 27.971 22.788 1.00 44.49 C ATOM 787 OE1 GLU A 103 34.476 28.653 23.802 1.00 44.05 O ATOM 788 OE2 GLU A 103 34.669 28.194 21.661 1.00 45.64 O ATOM 0 H GLU A 103 34.490 24.299 22.415 1.00 43.00 H new ATOM 0 HA GLU A 103 35.584 26.044 24.045 1.00 43.35 H new ATOM 0 HB2 GLU A 103 32.894 25.121 24.028 1.00 43.11 H new ATOM 0 HB3 GLU A 103 33.363 26.324 24.902 1.00 43.11 H new ATOM 0 HG2 GLU A 103 33.163 26.329 22.083 1.00 42.91 H new ATOM 0 HG3 GLU A 103 32.297 27.190 23.053 1.00 42.91 H new ATOM 789 N ASP A 104 35.203 23.191 25.239 1.00 44.27 N ATOM 790 CA ASP A 104 35.478 22.341 26.404 1.00 44.51 C ATOM 791 C ASP A 104 36.970 22.238 26.751 1.00 44.56 C ATOM 792 O ASP A 104 37.343 21.565 27.720 1.00 44.78 O ATOM 793 CB ASP A 104 34.853 20.946 26.238 1.00 44.52 C ATOM 794 CG ASP A 104 35.396 20.188 25.037 1.00 44.87 C ATOM 795 OD1 ASP A 104 36.408 20.616 24.438 1.00 44.03 O ATOM 796 OD2 ASP A 104 34.793 19.153 24.689 1.00 45.51 O ATOM 0 H ASP A 104 35.046 22.761 24.511 1.00 44.27 H new ATOM 0 HA ASP A 104 35.056 22.782 27.158 1.00 44.51 H new ATOM 0 HB2 ASP A 104 35.015 20.427 27.041 1.00 44.52 H new ATOM 0 HB3 ASP A 104 33.891 21.037 26.148 1.00 44.52 H new ATOM 797 N GLY A 105 37.813 22.910 25.967 1.00 44.45 N ATOM 798 CA GLY A 105 39.264 22.908 26.188 1.00 44.34 C ATOM 799 C GLY A 105 39.995 21.689 25.640 1.00 44.07 C ATOM 800 O GLY A 105 41.202 21.549 25.822 1.00 43.86 O ATOM 0 H GLY A 105 37.562 23.380 25.292 1.00 44.45 H new ATOM 0 HA2 GLY A 105 39.641 23.704 25.782 1.00 44.34 H new ATOM 0 HA3 GLY A 105 39.433 22.969 27.141 1.00 44.34 H new ATOM 801 N THR A 106 39.252 20.821 24.958 1.00 44.18 N ATOM 802 CA THR A 106 39.735 19.537 24.436 1.00 44.29 C ATOM 803 C THR A 106 40.127 19.660 22.949 1.00 43.91 C ATOM 804 O THR A 106 39.781 20.646 22.295 1.00 44.18 O ATOM 805 CB THR A 106 38.627 18.459 24.667 1.00 44.40 C ATOM 806 OG1 THR A 106 38.439 18.279 26.081 1.00 45.37 O ATOM 807 CG2 THR A 106 38.964 17.144 24.080 1.00 45.06 C ATOM 0 H THR A 106 38.423 20.966 24.779 1.00 44.18 H new ATOM 0 HA THR A 106 40.538 19.266 24.908 1.00 44.29 H new ATOM 0 HB THR A 106 37.824 18.783 24.230 1.00 44.40 H new ATOM 0 HG1 THR A 106 37.843 17.702 26.213 1.00 45.37 H new ATOM 0 HG21 THR A 106 38.244 16.518 24.254 1.00 45.06 H new ATOM 0 HG22 THR A 106 39.086 17.239 23.122 1.00 45.06 H new ATOM 0 HG23 THR A 106 39.784 16.812 24.479 1.00 45.06 H new ATOM 808 N LEU A 107 40.862 18.677 22.427 1.00 43.12 N ATOM 809 CA LEU A 107 41.223 18.648 20.999 1.00 42.69 C ATOM 810 C LEU A 107 40.118 18.073 20.114 1.00 42.52 C ATOM 811 O LEU A 107 40.193 18.177 18.894 1.00 42.74 O ATOM 812 CB LEU A 107 42.523 17.870 20.762 1.00 42.40 C ATOM 813 CG LEU A 107 43.812 18.352 21.431 1.00 42.76 C ATOM 814 CD1 LEU A 107 44.988 17.476 21.030 1.00 42.06 C ATOM 815 CD2 LEU A 107 44.087 19.805 21.086 1.00 42.37 C ATOM 0 H LEU A 107 41.165 18.013 22.882 1.00 43.12 H new ATOM 0 HA LEU A 107 41.352 19.575 20.746 1.00 42.69 H new ATOM 0 HB2 LEU A 107 42.372 16.955 21.045 1.00 42.40 H new ATOM 0 HB3 LEU A 107 42.681 17.849 19.805 1.00 42.40 H new ATOM 0 HG LEU A 107 43.696 18.284 22.392 1.00 42.76 H new ATOM 0 HD11 LEU A 107 45.794 17.797 21.464 1.00 42.06 H new ATOM 0 HD12 LEU A 107 44.818 16.561 21.303 1.00 42.06 H new ATOM 0 HD13 LEU A 107 45.104 17.510 20.068 1.00 42.06 H new ATOM 0 HD21 LEU A 107 44.907 20.091 21.519 1.00 42.37 H new ATOM 0 HD22 LEU A 107 44.180 19.898 20.125 1.00 42.37 H new ATOM 0 HD23 LEU A 107 43.350 20.356 21.394 1.00 42.37 H new ATOM 816 N GLY A 108 39.106 17.462 20.731 1.00 41.89 N ATOM 817 CA GLY A 108 37.989 16.866 20.002 1.00 41.49 C ATOM 818 C GLY A 108 38.375 15.667 19.157 1.00 41.12 C ATOM 819 O GLY A 108 37.727 15.388 18.144 1.00 41.35 O ATOM 0 H GLY A 108 39.049 17.382 21.585 1.00 41.89 H new ATOM 0 HA2 GLY A 108 37.307 16.597 20.637 1.00 41.49 H new ATOM 0 HA3 GLY A 108 37.592 17.540 19.429 1.00 41.49 H new ATOM 820 N GLY A 109 39.426 14.958 19.568 1.00 40.72 N ATOM 821 CA GLY A 109 39.939 13.815 18.808 1.00 40.36 C ATOM 822 C GLY A 109 40.938 14.144 17.708 1.00 40.29 C ATOM 823 O GLY A 109 41.513 13.239 17.106 1.00 40.66 O ATOM 0 H GLY A 109 39.861 15.124 20.291 1.00 40.72 H new ATOM 0 HA2 GLY A 109 40.358 13.198 19.428 1.00 40.36 H new ATOM 0 HA3 GLY A 109 39.187 13.350 18.410 1.00 40.36 H new ATOM 824 N PHE A 110 41.162 15.426 17.442 1.00 40.49 N ATOM 825 CA PHE A 110 42.104 15.839 16.390 1.00 40.72 C ATOM 826 C PHE A 110 43.561 15.553 16.752 1.00 41.01 C ATOM 827 O PHE A 110 43.980 15.763 17.893 1.00 41.12 O ATOM 828 CB PHE A 110 41.943 17.324 16.027 1.00 40.23 C ATOM 829 CG PHE A 110 40.777 17.609 15.119 1.00 40.33 C ATOM 830 CD1 PHE A 110 39.503 17.852 15.646 1.00 39.20 C ATOM 831 CD2 PHE A 110 40.949 17.649 13.736 1.00 39.22 C ATOM 832 CE1 PHE A 110 38.420 18.123 14.804 1.00 38.78 C ATOM 833 CE2 PHE A 110 39.876 17.914 12.891 1.00 39.67 C ATOM 834 CZ PHE A 110 38.605 18.156 13.429 1.00 39.83 C ATOM 0 H PHE A 110 40.782 16.077 17.856 1.00 40.49 H new ATOM 0 HA PHE A 110 41.879 15.300 15.616 1.00 40.72 H new ATOM 0 HB2 PHE A 110 41.839 17.838 16.843 1.00 40.23 H new ATOM 0 HB3 PHE A 110 42.757 17.633 15.600 1.00 40.23 H new ATOM 0 HD1 PHE A 110 39.375 17.833 16.567 1.00 39.20 H new ATOM 0 HD2 PHE A 110 41.792 17.497 13.374 1.00 39.22 H new ATOM 0 HE1 PHE A 110 37.577 18.281 15.165 1.00 38.78 H new ATOM 0 HE2 PHE A 110 40.002 17.931 11.970 1.00 39.67 H new ATOM 0 HZ PHE A 110 37.887 18.338 12.866 1.00 39.83 H new ATOM 835 N THR A 111 44.307 15.047 15.768 1.00 41.56 N ATOM 836 CA THR A 111 45.754 14.831 15.868 1.00 42.38 C ATOM 837 C THR A 111 46.446 15.385 14.620 1.00 42.16 C ATOM 838 O THR A 111 45.802 15.890 13.699 1.00 42.53 O ATOM 839 CB THR A 111 46.146 13.324 15.999 1.00 42.42 C ATOM 840 OG1 THR A 111 45.404 12.530 15.055 1.00 43.38 O ATOM 841 CG2 THR A 111 45.907 12.812 17.393 1.00 44.65 C ATOM 0 H THR A 111 43.980 14.815 15.007 1.00 41.56 H new ATOM 0 HA THR A 111 46.040 15.290 16.674 1.00 42.38 H new ATOM 0 HB THR A 111 47.094 13.250 15.807 1.00 42.42 H new ATOM 0 HG1 THR A 111 45.624 11.723 15.133 1.00 43.38 H new ATOM 0 HG21 THR A 111 46.159 11.877 17.442 1.00 44.65 H new ATOM 0 HG22 THR A 111 46.440 13.324 18.022 1.00 44.65 H new ATOM 0 HG23 THR A 111 44.967 12.905 17.616 1.00 44.65 H new ATOM 842 N THR A 112 47.764 15.247 14.590 1.00 41.76 N ATOM 843 CA THR A 112 48.575 15.758 13.506 1.00 40.66 C ATOM 844 C THR A 112 49.370 14.625 12.890 1.00 40.01 C ATOM 845 O THR A 112 49.715 13.640 13.558 1.00 40.21 O ATOM 846 CB THR A 112 49.564 16.849 14.009 1.00 41.48 C ATOM 847 OG1 THR A 112 50.362 16.310 15.068 1.00 41.09 O ATOM 848 CG2 THR A 112 48.822 18.078 14.514 1.00 39.42 C ATOM 0 H THR A 112 48.214 14.850 15.206 1.00 41.76 H new ATOM 0 HA THR A 112 47.982 16.153 12.848 1.00 40.66 H new ATOM 0 HB THR A 112 50.126 17.117 13.265 1.00 41.48 H new ATOM 0 HG1 THR A 112 51.046 16.786 15.173 1.00 41.09 H new ATOM 0 HG21 THR A 112 49.462 18.739 14.820 1.00 39.42 H new ATOM 0 HG22 THR A 112 48.289 18.453 13.795 1.00 39.42 H new ATOM 0 HG23 THR A 112 48.241 17.826 15.249 1.00 39.42 H new ATOM 849 N SER A 113 49.639 14.749 11.601 1.00 39.05 N ATOM 850 CA SER A 113 50.622 13.909 10.941 1.00 38.46 C ATOM 851 C SER A 113 51.262 14.699 9.816 1.00 38.04 C ATOM 852 O SER A 113 50.822 15.805 9.500 1.00 37.51 O ATOM 853 CB SER A 113 50.018 12.589 10.448 1.00 38.24 C ATOM 854 OG SER A 113 48.725 12.767 9.969 1.00 39.11 O ATOM 0 H SER A 113 49.258 15.321 11.085 1.00 39.05 H new ATOM 0 HA SER A 113 51.305 13.658 11.582 1.00 38.46 H new ATOM 0 HB2 SER A 113 50.576 12.219 9.746 1.00 38.24 H new ATOM 0 HB3 SER A 113 50.010 11.945 11.173 1.00 38.24 H new ATOM 0 HG SER A 113 48.753 13.152 9.223 1.00 39.11 H new ATOM 855 N GLY A 114 52.322 14.157 9.237 1.00 37.51 N ATOM 856 CA GLY A 114 52.954 14.833 8.126 1.00 37.95 C ATOM 857 C GLY A 114 54.216 14.171 7.653 1.00 38.14 C ATOM 858 O GLY A 114 54.777 13.322 8.339 1.00 38.63 O ATOM 0 H GLY A 114 52.684 13.412 9.469 1.00 37.51 H new ATOM 0 HA2 GLY A 114 52.327 14.880 7.388 1.00 37.95 H new ATOM 0 HA3 GLY A 114 53.155 15.746 8.386 1.00 37.95 H new ATOM 859 N THR A 115 54.656 14.565 6.464 1.00 38.79 N ATOM 860 CA THR A 115 55.878 14.037 5.861 1.00 39.39 C ATOM 861 C THR A 115 56.694 15.213 5.313 1.00 39.90 C ATOM 862 O THR A 115 56.159 16.087 4.627 1.00 39.45 O ATOM 863 CB THR A 115 55.584 12.943 4.787 1.00 39.45 C ATOM 864 OG1 THR A 115 56.815 12.439 4.245 1.00 40.31 O ATOM 865 CG2 THR A 115 54.691 13.461 3.655 1.00 39.18 C ATOM 0 H THR A 115 54.253 15.150 5.980 1.00 38.79 H new ATOM 0 HA THR A 115 56.403 13.580 6.537 1.00 39.39 H new ATOM 0 HB THR A 115 55.103 12.228 5.232 1.00 39.45 H new ATOM 0 HG1 THR A 115 56.648 11.850 3.670 1.00 40.31 H new ATOM 0 HG21 THR A 115 54.536 12.750 3.014 1.00 39.18 H new ATOM 0 HG22 THR A 115 53.843 13.757 4.021 1.00 39.18 H new ATOM 0 HG23 THR A 115 55.128 14.205 3.212 1.00 39.18 H new ATOM 866 N ASN A 116 57.979 15.238 5.665 1.00 40.56 N ATOM 867 CA ASN A 116 58.839 16.413 5.476 1.00 41.40 C ATOM 868 C ASN A 116 58.290 17.681 6.154 1.00 41.51 C ATOM 869 O ASN A 116 58.645 18.805 5.792 1.00 41.18 O ATOM 870 CB ASN A 116 59.121 16.645 3.989 1.00 41.48 C ATOM 871 CG ASN A 116 60.590 16.797 3.694 1.00 42.21 C ATOM 872 OD1 ASN A 116 60.959 17.317 2.648 1.00 43.80 O ATOM 873 ND2 ASN A 116 61.443 16.343 4.616 1.00 41.58 N ATOM 0 H ASN A 116 58.382 14.568 6.024 1.00 40.56 H new ATOM 0 HA ASN A 116 59.679 16.219 5.921 1.00 41.40 H new ATOM 0 HB2 ASN A 116 58.767 15.901 3.476 1.00 41.48 H new ATOM 0 HB3 ASN A 116 58.652 17.441 3.695 1.00 41.48 H new ATOM 0 HD21 ASN A 116 62.291 16.410 4.488 1.00 41.58 H new ATOM 0 HD22 ASN A 116 61.145 15.984 5.338 1.00 41.58 H new ATOM 874 N ALA A 117 57.418 17.462 7.139 1.00 42.04 N ATOM 875 CA ALA A 117 56.824 18.499 7.979 1.00 42.72 C ATOM 876 C ALA A 117 56.311 17.823 9.253 1.00 43.13 C ATOM 877 O ALA A 117 55.880 16.664 9.221 1.00 43.45 O ATOM 878 CB ALA A 117 55.670 19.215 7.249 1.00 42.48 C ATOM 0 H ALA A 117 57.146 16.672 7.343 1.00 42.04 H new ATOM 0 HA ALA A 117 57.488 19.173 8.191 1.00 42.72 H new ATOM 0 HB1 ALA A 117 55.294 19.897 7.828 1.00 42.48 H new ATOM 0 HB2 ALA A 117 56.007 19.629 6.439 1.00 42.48 H new ATOM 0 HB3 ALA A 117 54.982 18.571 7.021 1.00 42.48 H new ATOM 879 N THR A 118 56.362 18.552 10.364 1.00 43.15 N ATOM 880 CA THR A 118 55.903 18.062 11.660 1.00 43.71 C ATOM 881 C THR A 118 54.920 19.070 12.241 1.00 43.72 C ATOM 882 O THR A 118 55.187 20.280 12.247 1.00 44.02 O ATOM 883 CB THR A 118 57.082 17.850 12.657 1.00 43.69 C ATOM 884 OG1 THR A 118 58.068 17.006 12.052 1.00 45.08 O ATOM 885 CG2 THR A 118 56.603 17.181 13.933 1.00 43.74 C ATOM 0 H THR A 118 56.668 19.355 10.386 1.00 43.15 H new ATOM 0 HA THR A 118 55.477 17.201 11.527 1.00 43.71 H new ATOM 0 HB THR A 118 57.455 18.719 12.873 1.00 43.69 H new ATOM 0 HG1 THR A 118 58.705 16.891 12.587 1.00 45.08 H new ATOM 0 HG21 THR A 118 57.353 17.060 14.536 1.00 43.74 H new ATOM 0 HG22 THR A 118 55.933 17.738 14.359 1.00 43.74 H new ATOM 0 HG23 THR A 118 56.217 16.317 13.720 1.00 43.74 H new ATOM 886 N GLY A 119 53.788 18.564 12.728 1.00 43.70 N ATOM 887 CA GLY A 119 52.755 19.404 13.311 1.00 43.25 C ATOM 888 C GLY A 119 52.492 19.134 14.779 1.00 43.09 C ATOM 889 O GLY A 119 52.637 18.007 15.254 1.00 43.17 O ATOM 0 H GLY A 119 53.601 17.725 12.728 1.00 43.70 H new ATOM 0 HA2 GLY A 119 53.009 20.334 13.204 1.00 43.25 H new ATOM 0 HA3 GLY A 119 51.931 19.276 12.816 1.00 43.25 H new ATOM 890 N VAL A 120 52.117 20.189 15.492 1.00 42.97 N ATOM 891 CA VAL A 120 51.581 20.089 16.845 1.00 43.20 C ATOM 892 C VAL A 120 50.291 20.907 16.898 1.00 42.89 C ATOM 893 O VAL A 120 50.157 21.917 16.212 1.00 42.92 O ATOM 894 CB VAL A 120 52.621 20.522 17.934 1.00 43.65 C ATOM 895 CG1 VAL A 120 53.158 21.945 17.696 1.00 43.83 C ATOM 896 CG2 VAL A 120 52.031 20.401 19.340 1.00 44.84 C ATOM 0 H VAL A 120 52.167 20.996 15.199 1.00 42.97 H new ATOM 0 HA VAL A 120 51.384 19.162 17.053 1.00 43.20 H new ATOM 0 HB VAL A 120 53.372 19.912 17.859 1.00 43.65 H new ATOM 0 HG11 VAL A 120 53.796 22.171 18.391 1.00 43.83 H new ATOM 0 HG12 VAL A 120 53.595 21.986 16.831 1.00 43.83 H new ATOM 0 HG13 VAL A 120 52.422 22.576 17.716 1.00 43.83 H new ATOM 0 HG21 VAL A 120 52.693 20.674 19.994 1.00 44.84 H new ATOM 0 HG22 VAL A 120 51.250 20.972 19.414 1.00 44.84 H new ATOM 0 HG23 VAL A 120 51.775 19.480 19.506 1.00 44.84 H new ATOM 897 N VAL A 121 49.325 20.436 17.673 1.00 42.71 N ATOM 898 CA VAL A 121 48.066 21.154 17.850 1.00 42.83 C ATOM 899 C VAL A 121 47.708 21.218 19.337 1.00 42.89 C ATOM 900 O VAL A 121 47.863 20.231 20.062 1.00 43.24 O ATOM 901 CB VAL A 121 46.904 20.543 16.977 1.00 42.42 C ATOM 902 CG1 VAL A 121 46.543 19.123 17.430 1.00 41.88 C ATOM 903 CG2 VAL A 121 45.681 21.463 16.955 1.00 41.75 C ATOM 0 H VAL A 121 49.377 19.697 18.110 1.00 42.71 H new ATOM 0 HA VAL A 121 48.184 22.062 17.529 1.00 42.83 H new ATOM 0 HB VAL A 121 47.229 20.475 16.066 1.00 42.42 H new ATOM 0 HG11 VAL A 121 45.827 18.778 16.874 1.00 41.88 H new ATOM 0 HG12 VAL A 121 47.321 18.549 17.348 1.00 41.88 H new ATOM 0 HG13 VAL A 121 46.252 19.142 18.355 1.00 41.88 H new ATOM 0 HG21 VAL A 121 44.984 21.062 16.412 1.00 41.75 H new ATOM 0 HG22 VAL A 121 45.354 21.588 17.859 1.00 41.75 H new ATOM 0 HG23 VAL A 121 45.929 22.322 16.580 1.00 41.75 H new ATOM 904 N VAL A 122 47.278 22.393 19.789 1.00 43.20 N ATOM 905 CA VAL A 122 46.724 22.548 21.136 1.00 43.21 C ATOM 906 C VAL A 122 45.403 23.302 21.094 1.00 43.42 C ATOM 907 O VAL A 122 45.135 24.041 20.151 1.00 42.95 O ATOM 908 CB VAL A 122 47.700 23.268 22.139 1.00 43.34 C ATOM 909 CG1 VAL A 122 48.946 22.428 22.392 1.00 42.92 C ATOM 910 CG2 VAL A 122 48.064 24.687 21.680 1.00 43.03 C ATOM 0 H VAL A 122 47.298 23.119 19.329 1.00 43.20 H new ATOM 0 HA VAL A 122 46.585 21.646 21.466 1.00 43.21 H new ATOM 0 HB VAL A 122 47.225 23.360 22.980 1.00 43.34 H new ATOM 0 HG11 VAL A 122 49.530 22.893 23.012 1.00 42.92 H new ATOM 0 HG12 VAL A 122 48.689 21.573 22.771 1.00 42.92 H new ATOM 0 HG13 VAL A 122 49.414 22.283 21.555 1.00 42.92 H new ATOM 0 HG21 VAL A 122 48.665 25.092 22.325 1.00 43.03 H new ATOM 0 HG22 VAL A 122 48.500 24.645 20.814 1.00 43.03 H new ATOM 0 HG23 VAL A 122 47.258 25.222 21.610 1.00 43.03 H new ATOM 911 N ASN A 123 44.585 23.106 22.125 1.00 43.91 N ATOM 912 CA ASN A 123 43.422 23.946 22.346 1.00 44.64 C ATOM 913 C ASN A 123 43.889 25.297 22.903 1.00 45.24 C ATOM 914 O ASN A 123 44.616 25.347 23.902 1.00 44.95 O ATOM 915 CB ASN A 123 42.440 23.251 23.286 1.00 44.56 C ATOM 916 CG ASN A 123 41.122 23.974 23.386 1.00 44.37 C ATOM 917 OD1 ASN A 123 41.019 25.005 24.042 1.00 44.97 O ATOM 918 ND2 ASN A 123 40.098 23.432 22.743 1.00 44.16 N ATOM 0 H ASN A 123 44.691 22.485 22.711 1.00 43.91 H new ATOM 0 HA ASN A 123 42.954 24.101 21.510 1.00 44.64 H new ATOM 0 HB2 ASN A 123 42.285 22.345 22.974 1.00 44.56 H new ATOM 0 HB3 ASN A 123 42.836 23.183 24.169 1.00 44.56 H new ATOM 0 HD21 ASN A 123 39.324 23.805 22.776 1.00 44.16 H new ATOM 0 HD22 ASN A 123 40.208 22.708 22.292 1.00 44.16 H new ATOM 919 N THR A 124 43.474 26.382 22.248 1.00 45.97 N ATOM 920 CA THR A 124 44.013 27.729 22.522 1.00 46.27 C ATOM 921 C THR A 124 42.930 28.778 22.799 1.00 46.56 C ATOM 922 O THR A 124 41.812 28.657 22.309 1.00 46.08 O ATOM 923 CB THR A 124 44.891 28.220 21.336 1.00 46.42 C ATOM 924 OG1 THR A 124 45.560 29.429 21.690 1.00 46.29 O ATOM 925 CG2 THR A 124 44.048 28.470 20.066 1.00 46.17 C ATOM 0 H THR A 124 42.874 26.364 21.633 1.00 45.97 H new ATOM 0 HA THR A 124 44.545 27.637 23.328 1.00 46.27 H new ATOM 0 HB THR A 124 45.537 27.522 21.146 1.00 46.42 H new ATOM 0 HG1 THR A 124 46.134 29.614 21.105 1.00 46.29 H new ATOM 0 HG21 THR A 124 44.626 28.774 19.349 1.00 46.17 H new ATOM 0 HG22 THR A 124 43.610 27.646 19.801 1.00 46.17 H new ATOM 0 HG23 THR A 124 43.378 29.147 20.250 1.00 46.17 H new ATOM 926 N THR A 125 43.275 29.802 23.588 1.00 47.22 N ATOM 927 CA THR A 125 42.421 30.981 23.759 1.00 47.75 C ATOM 928 C THR A 125 42.966 32.199 22.991 1.00 48.30 C ATOM 929 O THR A 125 42.347 33.272 23.009 1.00 48.16 O ATOM 930 CB THR A 125 42.225 31.375 25.262 1.00 47.97 C ATOM 931 OG1 THR A 125 43.498 31.466 25.908 1.00 47.95 O ATOM 932 CG2 THR A 125 41.343 30.366 26.009 1.00 47.65 C ATOM 0 H THR A 125 44.008 29.831 24.037 1.00 47.22 H new ATOM 0 HA THR A 125 41.559 30.728 23.393 1.00 47.75 H new ATOM 0 HB THR A 125 41.777 32.235 25.284 1.00 47.97 H new ATOM 0 HG1 THR A 125 43.389 31.679 26.713 1.00 47.95 H new ATOM 0 HG21 THR A 125 41.245 30.643 26.933 1.00 47.65 H new ATOM 0 HG22 THR A 125 40.469 30.327 25.590 1.00 47.65 H new ATOM 0 HG23 THR A 125 41.756 29.489 25.977 1.00 47.65 H new ATOM 933 N GLU A 126 44.114 32.028 22.328 1.00 48.67 N ATOM 934 CA GLU A 126 44.817 33.125 21.636 1.00 49.62 C ATOM 935 C GLU A 126 44.022 33.709 20.480 1.00 49.28 C ATOM 936 O GLU A 126 43.936 34.925 20.336 1.00 49.14 O ATOM 937 CB GLU A 126 46.170 32.661 21.093 1.00 49.50 C ATOM 938 CG GLU A 126 47.239 32.397 22.127 1.00 50.67 C ATOM 939 CD GLU A 126 48.505 31.830 21.499 1.00 51.57 C ATOM 940 OE1 GLU A 126 48.726 32.041 20.282 1.00 53.61 O ATOM 941 OE2 GLU A 126 49.280 31.165 22.218 1.00 54.61 O ATOM 0 H GLU A 126 44.512 31.268 22.265 1.00 48.67 H new ATOM 0 HA GLU A 126 44.937 33.814 22.308 1.00 49.62 H new ATOM 0 HB2 GLU A 126 46.032 31.849 20.580 1.00 49.50 H new ATOM 0 HB3 GLU A 126 46.500 33.333 20.476 1.00 49.50 H new ATOM 0 HG2 GLU A 126 47.450 33.222 22.592 1.00 50.67 H new ATOM 0 HG3 GLU A 126 46.901 31.776 22.791 1.00 50.67 H new ATOM 942 N LYS A 127 43.503 32.826 19.631 1.00 49.22 N ATOM 943 CA LYS A 127 42.556 33.176 18.583 1.00 49.22 C ATOM 944 C LYS A 127 41.443 32.145 18.571 1.00 49.07 C ATOM 945 O LYS A 127 41.676 30.953 18.825 1.00 49.30 O ATOM 946 CB LYS A 127 43.208 33.176 17.202 1.00 49.42 C ATOM 947 CG LYS A 127 44.040 34.379 16.881 1.00 50.57 C ATOM 948 CD LYS A 127 44.567 34.272 15.459 1.00 52.64 C ATOM 949 CE LYS A 127 45.931 34.935 15.320 1.00 53.36 C ATOM 950 NZ LYS A 127 45.869 36.401 15.576 1.00 55.66 N ATOM 0 H LYS A 127 43.698 31.989 19.651 1.00 49.22 H new ATOM 0 HA LYS A 127 42.223 34.068 18.769 1.00 49.22 H new ATOM 0 HB2 LYS A 127 43.766 32.386 17.125 1.00 49.42 H new ATOM 0 HB3 LYS A 127 42.511 33.097 16.532 1.00 49.42 H new ATOM 0 HG2 LYS A 127 43.510 35.185 16.979 1.00 50.57 H new ATOM 0 HG3 LYS A 127 44.779 34.448 17.505 1.00 50.57 H new ATOM 0 HD2 LYS A 127 44.632 33.338 15.206 1.00 52.64 H new ATOM 0 HD3 LYS A 127 43.939 34.688 14.848 1.00 52.64 H new ATOM 0 HE2 LYS A 127 46.553 34.525 15.941 1.00 53.36 H new ATOM 0 HE3 LYS A 127 46.276 34.778 14.427 1.00 53.36 H new ATOM 0 HZ1 LYS A 127 46.669 36.762 15.429 1.00 55.66 H new ATOM 0 HZ2 LYS A 127 45.272 36.773 15.031 1.00 55.66 H new ATOM 0 HZ3 LYS A 127 45.629 36.545 16.421 1.00 55.66 H new ATOM 951 N ALA A 128 40.242 32.621 18.264 1.00 48.43 N ATOM 952 CA ALA A 128 39.074 31.785 18.052 1.00 48.20 C ATOM 953 C ALA A 128 38.245 32.482 16.984 1.00 47.97 C ATOM 954 O ALA A 128 38.373 33.699 16.803 1.00 47.78 O ATOM 955 CB ALA A 128 38.279 31.636 19.340 1.00 47.95 C ATOM 0 H ALA A 128 40.082 33.461 18.171 1.00 48.43 H new ATOM 0 HA ALA A 128 39.326 30.890 17.774 1.00 48.20 H new ATOM 0 HB1 ALA A 128 37.504 31.075 19.179 1.00 47.95 H new ATOM 0 HB2 ALA A 128 38.837 31.228 20.020 1.00 47.95 H new ATOM 0 HB3 ALA A 128 37.988 32.510 19.644 1.00 47.95 H new ATOM 956 N PHE A 129 37.434 31.717 16.255 1.00 47.55 N ATOM 957 CA PHE A 129 36.454 32.301 15.331 1.00 47.24 C ATOM 958 C PHE A 129 35.127 32.596 16.050 1.00 47.22 C ATOM 959 O PHE A 129 34.536 33.663 15.864 1.00 46.95 O ATOM 960 CB PHE A 129 36.244 31.413 14.092 1.00 47.09 C ATOM 961 CG PHE A 129 35.342 32.029 13.051 1.00 46.67 C ATOM 962 CD1 PHE A 129 35.845 32.945 12.127 1.00 46.10 C ATOM 963 CD2 PHE A 129 33.986 31.702 13.002 1.00 46.59 C ATOM 964 CE1 PHE A 129 35.013 33.529 11.172 1.00 46.92 C ATOM 965 CE2 PHE A 129 33.145 32.274 12.051 1.00 46.74 C ATOM 966 CZ PHE A 129 33.657 33.191 11.133 1.00 46.96 C ATOM 0 H PHE A 129 37.433 30.857 16.279 1.00 47.55 H new ATOM 0 HA PHE A 129 36.812 33.146 15.016 1.00 47.24 H new ATOM 0 HB2 PHE A 129 37.106 31.223 13.690 1.00 47.09 H new ATOM 0 HB3 PHE A 129 35.868 30.564 14.372 1.00 47.09 H new ATOM 0 HD1 PHE A 129 36.747 33.169 12.148 1.00 46.10 H new ATOM 0 HD2 PHE A 129 33.639 31.093 13.613 1.00 46.59 H new ATOM 0 HE1 PHE A 129 35.359 34.141 10.563 1.00 46.92 H new ATOM 0 HE2 PHE A 129 32.244 32.045 12.028 1.00 46.74 H new ATOM 0 HZ PHE A 129 33.098 33.576 10.497 1.00 46.96 H new ATOM 967 N LYS A 130 34.665 31.647 16.862 1.00 47.32 N ATOM 968 CA LYS A 130 33.486 31.848 17.711 1.00 47.77 C ATOM 969 C LYS A 130 33.787 31.398 19.137 1.00 47.41 C ATOM 970 O LYS A 130 34.555 30.461 19.345 1.00 47.67 O ATOM 971 CB LYS A 130 32.279 31.074 17.187 1.00 47.61 C ATOM 972 CG LYS A 130 31.579 31.668 15.980 1.00 48.85 C ATOM 973 CD LYS A 130 30.466 30.721 15.506 1.00 48.79 C ATOM 974 CE LYS A 130 29.897 31.126 14.154 1.00 50.77 C ATOM 975 NZ LYS A 130 28.575 30.474 13.883 1.00 51.25 N ATOM 0 H LYS A 130 35.024 30.869 16.938 1.00 47.32 H new ATOM 0 HA LYS A 130 33.274 32.794 17.698 1.00 47.77 H new ATOM 0 HB2 LYS A 130 32.567 30.175 16.962 1.00 47.61 H new ATOM 0 HB3 LYS A 130 31.633 30.993 17.906 1.00 47.61 H new ATOM 0 HG2 LYS A 130 31.204 32.533 16.206 1.00 48.85 H new ATOM 0 HG3 LYS A 130 32.218 31.814 15.265 1.00 48.85 H new ATOM 0 HD2 LYS A 130 30.815 29.818 15.450 1.00 48.79 H new ATOM 0 HD3 LYS A 130 29.753 30.709 16.164 1.00 48.79 H new ATOM 0 HE2 LYS A 130 29.794 32.090 14.123 1.00 50.77 H new ATOM 0 HE3 LYS A 130 30.525 30.886 13.455 1.00 50.77 H new ATOM 0 HZ1 LYS A 130 28.274 30.733 13.087 1.00 51.25 H new ATOM 0 HZ2 LYS A 130 28.673 29.589 13.889 1.00 51.25 H new ATOM 0 HZ3 LYS A 130 27.992 30.712 14.512 1.00 51.25 H new ATOM 976 N GLY A 131 33.181 32.068 20.115 1.00 47.12 N ATOM 977 CA GLY A 131 33.438 31.762 21.516 1.00 46.49 C ATOM 978 C GLY A 131 34.844 32.144 21.931 1.00 46.43 C ATOM 979 O GLY A 131 35.443 33.060 21.356 1.00 46.02 O ATOM 0 H GLY A 131 32.617 32.704 19.986 1.00 47.12 H new ATOM 0 HA2 GLY A 131 32.798 32.233 22.072 1.00 46.49 H new ATOM 0 HA3 GLY A 131 33.303 30.814 21.669 1.00 46.49 H new ATOM 980 N GLU A 132 35.375 31.418 22.912 1.00 46.42 N ATOM 981 CA GLU A 132 36.665 31.746 23.513 1.00 46.93 C ATOM 982 C GLU A 132 37.831 30.863 23.064 1.00 46.78 C ATOM 983 O GLU A 132 38.994 31.242 23.232 1.00 46.78 O ATOM 984 CB GLU A 132 36.560 31.696 25.037 1.00 47.19 C ATOM 985 CG GLU A 132 35.692 32.795 25.645 1.00 49.54 C ATOM 986 CD GLU A 132 35.962 32.996 27.119 1.00 52.78 C ATOM 987 OE1 GLU A 132 37.147 32.940 27.526 1.00 54.57 O ATOM 988 OE2 GLU A 132 34.993 33.227 27.877 1.00 55.16 O ATOM 0 H GLU A 132 34.998 30.722 23.248 1.00 46.42 H new ATOM 0 HA GLU A 132 36.869 32.641 23.200 1.00 46.93 H new ATOM 0 HB2 GLU A 132 36.200 30.834 25.298 1.00 47.19 H new ATOM 0 HB3 GLU A 132 37.452 31.757 25.414 1.00 47.19 H new ATOM 0 HG2 GLU A 132 35.852 33.627 25.173 1.00 49.54 H new ATOM 0 HG3 GLU A 132 34.757 32.572 25.518 1.00 49.54 H new ATOM 989 N ARG A 133 37.528 29.696 22.498 1.00 46.38 N ATOM 990 CA ARG A 133 38.554 28.692 22.250 1.00 46.30 C ATOM 991 C ARG A 133 38.556 28.156 20.821 1.00 45.97 C ATOM 992 O ARG A 133 37.524 28.151 20.147 1.00 46.23 O ATOM 993 CB ARG A 133 38.420 27.548 23.261 1.00 46.29 C ATOM 994 CG ARG A 133 38.844 27.919 24.686 1.00 46.36 C ATOM 995 CD ARG A 133 38.822 26.710 25.609 1.00 46.99 C ATOM 996 NE ARG A 133 39.414 26.997 26.914 1.00 49.83 N ATOM 997 CZ ARG A 133 40.708 26.869 27.211 1.00 50.49 C ATOM 998 NH1 ARG A 133 41.585 26.451 26.297 1.00 49.93 N ATOM 999 NH2 ARG A 133 41.128 27.165 28.435 1.00 51.16 N ATOM 0 H ARG A 133 36.736 29.469 22.252 1.00 46.38 H new ATOM 0 HA ARG A 133 39.410 29.134 22.365 1.00 46.30 H new ATOM 0 HB2 ARG A 133 37.497 27.249 23.276 1.00 46.29 H new ATOM 0 HB3 ARG A 133 38.956 26.798 22.959 1.00 46.29 H new ATOM 0 HG2 ARG A 133 39.736 28.299 24.670 1.00 46.36 H new ATOM 0 HG3 ARG A 133 38.250 28.603 25.033 1.00 46.36 H new ATOM 0 HD2 ARG A 133 37.906 26.415 25.730 1.00 46.99 H new ATOM 0 HD3 ARG A 133 39.303 25.978 25.192 1.00 46.99 H new ATOM 0 HE ARG A 133 38.888 27.269 27.538 1.00 49.83 H new ATOM 0 HH11 ARG A 133 41.319 26.259 25.502 1.00 49.93 H new ATOM 0 HH12 ARG A 133 42.416 26.373 26.503 1.00 49.93 H new ATOM 0 HH21 ARG A 133 40.567 27.436 29.028 1.00 51.16 H new ATOM 0 HH22 ARG A 133 41.961 27.085 28.635 1.00 51.16 H new ATOM 1000 N GLY A 134 39.726 27.727 20.361 1.00 45.57 N ATOM 1001 CA GLY A 134 39.882 27.111 19.042 1.00 45.01 C ATOM 1002 C GLY A 134 41.054 26.153 19.090 1.00 44.81 C ATOM 1003 O GLY A 134 41.520 25.800 20.173 1.00 44.58 O ATOM 0 H GLY A 134 40.459 27.784 20.807 1.00 45.57 H new ATOM 0 HA2 GLY A 134 39.072 26.639 18.793 1.00 45.01 H new ATOM 0 HA3 GLY A 134 40.032 27.792 18.368 1.00 45.01 H new ATOM 1004 N LEU A 135 41.518 25.718 17.919 1.00 44.58 N ATOM 1005 CA LEU A 135 42.763 24.954 17.821 1.00 44.21 C ATOM 1006 C LEU A 135 43.888 25.825 17.282 1.00 43.73 C ATOM 1007 O LEU A 135 43.675 26.675 16.415 1.00 43.76 O ATOM 1008 CB LEU A 135 42.602 23.706 16.947 1.00 44.17 C ATOM 1009 CG LEU A 135 41.674 22.570 17.400 1.00 44.16 C ATOM 1010 CD1 LEU A 135 41.706 21.449 16.361 1.00 45.06 C ATOM 1011 CD2 LEU A 135 42.026 22.026 18.785 1.00 44.34 C ATOM 0 H LEU A 135 41.125 25.855 17.166 1.00 44.58 H new ATOM 0 HA LEU A 135 42.989 24.662 18.718 1.00 44.21 H new ATOM 0 HB2 LEU A 135 42.294 24.001 16.076 1.00 44.17 H new ATOM 0 HB3 LEU A 135 43.485 23.325 16.821 1.00 44.17 H new ATOM 0 HG LEU A 135 40.778 22.935 17.472 1.00 44.16 H new ATOM 0 HD11 LEU A 135 41.121 20.729 16.644 1.00 45.06 H new ATOM 0 HD12 LEU A 135 41.406 21.792 15.505 1.00 45.06 H new ATOM 0 HD13 LEU A 135 42.612 21.114 16.274 1.00 45.06 H new ATOM 0 HD21 LEU A 135 41.410 21.314 19.019 1.00 44.34 H new ATOM 0 HD22 LEU A 135 42.932 21.680 18.776 1.00 44.34 H new ATOM 0 HD23 LEU A 135 41.959 22.739 19.439 1.00 44.34 H new ATOM 1012 N LYS A 136 45.081 25.609 17.822 1.00 43.06 N ATOM 1013 CA LYS A 136 46.287 26.270 17.356 1.00 42.68 C ATOM 1014 C LYS A 136 47.230 25.187 16.833 1.00 42.17 C ATOM 1015 O LYS A 136 47.656 24.307 17.580 1.00 42.08 O ATOM 1016 CB LYS A 136 46.932 27.064 18.498 1.00 42.28 C ATOM 1017 CG LYS A 136 48.284 27.683 18.182 1.00 42.77 C ATOM 1018 CD LYS A 136 48.924 28.225 19.468 1.00 42.82 C ATOM 1019 CE LYS A 136 50.203 28.969 19.176 1.00 44.32 C ATOM 1020 NZ LYS A 136 50.870 29.443 20.435 1.00 45.08 N ATOM 0 H LYS A 136 45.212 25.068 18.477 1.00 43.06 H new ATOM 0 HA LYS A 136 46.084 26.902 16.648 1.00 42.68 H new ATOM 0 HB2 LYS A 136 46.324 27.772 18.763 1.00 42.28 H new ATOM 0 HB3 LYS A 136 47.034 26.476 19.263 1.00 42.28 H new ATOM 0 HG2 LYS A 136 48.865 27.021 17.776 1.00 42.77 H new ATOM 0 HG3 LYS A 136 48.178 28.400 17.537 1.00 42.77 H new ATOM 0 HD2 LYS A 136 48.300 28.816 19.918 1.00 42.82 H new ATOM 0 HD3 LYS A 136 49.107 27.490 20.075 1.00 42.82 H new ATOM 0 HE2 LYS A 136 50.809 28.391 18.686 1.00 44.32 H new ATOM 0 HE3 LYS A 136 50.012 29.729 18.605 1.00 44.32 H new ATOM 0 HZ1 LYS A 136 51.588 29.926 20.227 1.00 45.08 H new ATOM 0 HZ2 LYS A 136 50.301 29.943 20.902 1.00 45.08 H new ATOM 0 HZ3 LYS A 136 51.117 28.741 20.923 1.00 45.08 H new ATOM 1021 N TRP A 137 47.557 25.279 15.548 1.00 41.92 N ATOM 1022 CA TRP A 137 48.244 24.213 14.823 1.00 41.68 C ATOM 1023 C TRP A 137 49.572 24.728 14.259 1.00 41.45 C ATOM 1024 O TRP A 137 49.596 25.517 13.311 1.00 41.30 O ATOM 1025 CB TRP A 137 47.317 23.669 13.716 1.00 41.16 C ATOM 1026 CG TRP A 137 47.907 22.601 12.803 1.00 42.15 C ATOM 1027 CD1 TRP A 137 48.825 21.629 13.136 1.00 41.94 C ATOM 1028 CD2 TRP A 137 47.588 22.390 11.420 1.00 41.47 C ATOM 1029 NE1 TRP A 137 49.092 20.836 12.043 1.00 41.40 N ATOM 1030 CE2 TRP A 137 48.349 21.282 10.978 1.00 42.46 C ATOM 1031 CE3 TRP A 137 46.733 23.032 10.509 1.00 42.02 C ATOM 1032 CZ2 TRP A 137 48.289 20.809 9.664 1.00 40.95 C ATOM 1033 CZ3 TRP A 137 46.661 22.550 9.205 1.00 42.04 C ATOM 1034 CH2 TRP A 137 47.444 21.450 8.797 1.00 42.33 C ATOM 0 H TRP A 137 47.384 25.970 15.066 1.00 41.92 H new ATOM 0 HA TRP A 137 48.453 23.483 15.426 1.00 41.68 H new ATOM 0 HB2 TRP A 137 46.523 23.305 14.137 1.00 41.16 H new ATOM 0 HB3 TRP A 137 47.030 24.415 13.166 1.00 41.16 H new ATOM 0 HD1 TRP A 137 49.208 21.524 13.977 1.00 41.94 H new ATOM 0 HE1 TRP A 137 49.636 20.170 12.029 1.00 41.40 H new ATOM 0 HE3 TRP A 137 46.225 23.765 10.772 1.00 42.02 H new ATOM 0 HZ2 TRP A 137 48.804 20.085 9.388 1.00 40.95 H new ATOM 0 HZ3 TRP A 137 46.090 22.958 8.595 1.00 42.04 H new ATOM 0 HH2 TRP A 137 47.385 21.153 7.918 1.00 42.33 H new ATOM 1035 N THR A 138 50.674 24.288 14.854 1.00 41.49 N ATOM 1036 CA THR A 138 51.991 24.778 14.459 1.00 42.06 C ATOM 1037 C THR A 138 52.725 23.741 13.623 1.00 42.23 C ATOM 1038 O THR A 138 52.863 22.595 14.033 1.00 41.93 O ATOM 1039 CB THR A 138 52.847 25.196 15.680 1.00 41.72 C ATOM 1040 OG1 THR A 138 52.124 26.164 16.452 1.00 42.19 O ATOM 1041 CG2 THR A 138 54.168 25.818 15.224 1.00 42.03 C ATOM 0 H THR A 138 50.682 23.707 15.488 1.00 41.49 H new ATOM 0 HA THR A 138 51.850 25.571 13.919 1.00 42.06 H new ATOM 0 HB THR A 138 53.035 24.407 16.212 1.00 41.72 H new ATOM 0 HG1 THR A 138 52.134 26.904 16.054 1.00 42.19 H new ATOM 0 HG21 THR A 138 54.691 26.074 16.000 1.00 42.03 H new ATOM 0 HG22 THR A 138 54.665 25.172 14.698 1.00 42.03 H new ATOM 0 HG23 THR A 138 53.987 26.603 14.684 1.00 42.03 H new ATOM 1042 N VAL A 139 53.189 24.165 12.451 1.00 43.04 N ATOM 1043 CA VAL A 139 53.854 23.271 11.512 1.00 44.05 C ATOM 1044 C VAL A 139 55.288 23.732 11.232 1.00 44.59 C ATOM 1045 O VAL A 139 55.525 24.880 10.855 1.00 44.43 O ATOM 1046 CB VAL A 139 53.056 23.114 10.173 1.00 44.13 C ATOM 1047 CG1 VAL A 139 53.796 22.179 9.200 1.00 43.97 C ATOM 1048 CG2 VAL A 139 51.637 22.601 10.429 1.00 43.68 C ATOM 0 H VAL A 139 53.127 24.978 12.179 1.00 43.04 H new ATOM 0 HA VAL A 139 53.886 22.398 11.933 1.00 44.05 H new ATOM 0 HB VAL A 139 52.990 23.992 9.767 1.00 44.13 H new ATOM 0 HG11 VAL A 139 53.286 22.096 8.379 1.00 43.97 H new ATOM 0 HG12 VAL A 139 54.671 22.547 9.000 1.00 43.97 H new ATOM 0 HG13 VAL A 139 53.898 21.304 9.606 1.00 43.97 H new ATOM 0 HG21 VAL A 139 51.167 22.514 9.585 1.00 43.68 H new ATOM 0 HG22 VAL A 139 51.679 21.736 10.866 1.00 43.68 H new ATOM 0 HG23 VAL A 139 51.164 23.228 10.998 1.00 43.68 H new ATOM 1049 N THR A 140 56.232 22.817 11.438 1.00 45.28 N ATOM 1050 CA THR A 140 57.619 22.988 11.011 1.00 45.75 C ATOM 1051 C THR A 140 57.875 22.172 9.732 1.00 46.30 C ATOM 1052 O THR A 140 57.851 20.943 9.769 1.00 45.83 O ATOM 1053 CB THR A 140 58.581 22.519 12.117 1.00 45.71 C ATOM 1054 OG1 THR A 140 58.240 23.162 13.353 1.00 46.28 O ATOM 1055 CG2 THR A 140 60.028 22.843 11.763 1.00 46.26 C ATOM 0 H THR A 140 56.083 22.069 11.835 1.00 45.28 H new ATOM 0 HA THR A 140 57.775 23.929 10.834 1.00 45.75 H new ATOM 0 HB THR A 140 58.495 21.557 12.206 1.00 45.71 H new ATOM 0 HG1 THR A 140 58.764 22.905 13.957 1.00 46.28 H new ATOM 0 HG21 THR A 140 60.612 22.538 12.475 1.00 46.26 H new ATOM 0 HG22 THR A 140 60.267 22.396 10.936 1.00 46.26 H new ATOM 0 HG23 THR A 140 60.128 23.802 11.653 1.00 46.26 H new ATOM 1056 N SER A 141 58.117 22.856 8.612 1.00 47.07 N ATOM 1057 CA SER A 141 58.440 22.173 7.350 1.00 48.07 C ATOM 1058 C SER A 141 59.939 22.048 7.175 1.00 48.33 C ATOM 1059 O SER A 141 60.707 22.895 7.650 1.00 48.38 O ATOM 1060 CB SER A 141 57.874 22.911 6.133 1.00 48.05 C ATOM 1061 OG SER A 141 57.139 24.056 6.521 1.00 49.92 O ATOM 0 H SER A 141 58.100 23.714 8.559 1.00 47.07 H new ATOM 0 HA SER A 141 58.032 21.294 7.403 1.00 48.07 H new ATOM 0 HB2 SER A 141 58.600 23.174 5.545 1.00 48.05 H new ATOM 0 HB3 SER A 141 57.302 22.313 5.627 1.00 48.05 H new ATOM 0 HG SER A 141 56.625 24.284 5.897 1.00 49.92 H new ATOM 1062 N GLU A 142 60.339 20.998 6.463 1.00 48.71 N ATOM 1063 CA GLU A 142 61.733 20.746 6.155 1.00 49.24 C ATOM 1064 C GLU A 142 62.008 20.899 4.658 1.00 49.29 C ATOM 1065 O GLU A 142 63.136 20.715 4.210 1.00 49.53 O ATOM 1066 CB GLU A 142 62.144 19.357 6.659 1.00 49.23 C ATOM 1067 CG GLU A 142 62.130 19.215 8.190 1.00 51.13 C ATOM 1068 CD GLU A 142 63.149 20.124 8.898 1.00 53.76 C ATOM 1069 OE1 GLU A 142 64.366 20.060 8.580 1.00 54.04 O ATOM 1070 OE2 GLU A 142 62.730 20.893 9.795 1.00 55.39 O ATOM 0 H GLU A 142 59.800 20.409 6.144 1.00 48.71 H new ATOM 0 HA GLU A 142 62.272 21.409 6.614 1.00 49.24 H new ATOM 0 HB2 GLU A 142 61.547 18.695 6.277 1.00 49.23 H new ATOM 0 HB3 GLU A 142 63.035 19.156 6.333 1.00 49.23 H new ATOM 0 HG2 GLU A 142 61.241 19.420 8.519 1.00 51.13 H new ATOM 0 HG3 GLU A 142 62.313 18.292 8.424 1.00 51.13 H new ATOM 1071 N GLY A 143 60.978 21.258 3.896 1.00 49.41 N ATOM 1072 CA GLY A 143 61.082 21.375 2.441 1.00 49.55 C ATOM 1073 C GLY A 143 59.742 21.075 1.803 1.00 49.62 C ATOM 1074 O GLY A 143 58.704 21.373 2.389 1.00 50.05 O ATOM 0 H GLY A 143 60.198 21.441 4.207 1.00 49.41 H new ATOM 0 HA2 GLY A 143 61.371 22.269 2.200 1.00 49.55 H new ATOM 0 HA3 GLY A 143 61.753 20.760 2.106 1.00 49.55 H new ATOM 1075 N GLU A 144 59.758 20.501 0.601 1.00 49.50 N ATOM 1076 CA GLU A 144 58.529 20.027 -0.037 1.00 49.48 C ATOM 1077 C GLU A 144 57.903 18.924 0.800 1.00 48.87 C ATOM 1078 O GLU A 144 58.496 17.858 0.986 1.00 49.17 O ATOM 1079 CB GLU A 144 58.783 19.494 -1.449 1.00 49.76 C ATOM 1080 CG GLU A 144 58.388 20.443 -2.562 1.00 51.79 C ATOM 1081 CD GLU A 144 59.584 20.980 -3.314 1.00 53.85 C ATOM 1082 OE1 GLU A 144 60.072 20.275 -4.227 1.00 53.94 O ATOM 1083 OE2 GLU A 144 60.031 22.108 -2.999 1.00 55.43 O ATOM 0 H GLU A 144 60.471 20.376 0.137 1.00 49.50 H new ATOM 0 HA GLU A 144 57.928 20.786 -0.102 1.00 49.48 H new ATOM 0 HB2 GLU A 144 59.726 19.284 -1.538 1.00 49.76 H new ATOM 0 HB3 GLU A 144 58.296 18.663 -1.561 1.00 49.76 H new ATOM 0 HG2 GLU A 144 57.799 19.984 -3.181 1.00 51.79 H new ATOM 0 HG3 GLU A 144 57.885 21.184 -2.189 1.00 51.79 H new ATOM 1084 N GLY A 145 56.701 19.179 1.298 1.00 48.15 N ATOM 1085 CA GLY A 145 56.035 18.223 2.166 1.00 47.29 C ATOM 1086 C GLY A 145 54.552 18.446 2.360 1.00 46.17 C ATOM 1087 O GLY A 145 53.939 19.285 1.702 1.00 46.29 O ATOM 0 H GLY A 145 56.255 19.899 1.145 1.00 48.15 H new ATOM 0 HA2 GLY A 145 56.168 17.333 1.804 1.00 47.29 H new ATOM 0 HA3 GLY A 145 56.466 18.243 3.035 1.00 47.29 H new ATOM 1088 N THR A 146 53.984 17.678 3.280 1.00 44.83 N ATOM 1089 CA THR A 146 52.556 17.707 3.555 1.00 43.41 C ATOM 1090 C THR A 146 52.354 17.563 5.058 1.00 42.12 C ATOM 1091 O THR A 146 53.083 16.823 5.711 1.00 41.55 O ATOM 1092 CB THR A 146 51.818 16.567 2.795 1.00 43.38 C ATOM 1093 OG1 THR A 146 52.175 16.616 1.416 1.00 45.40 O ATOM 1094 CG2 THR A 146 50.353 16.751 2.858 1.00 44.17 C ATOM 0 H THR A 146 54.421 17.120 3.767 1.00 44.83 H new ATOM 0 HA THR A 146 52.184 18.548 3.248 1.00 43.41 H new ATOM 0 HB THR A 146 52.070 15.726 3.207 1.00 43.38 H new ATOM 0 HG1 THR A 146 51.780 16.001 1.002 1.00 45.40 H new ATOM 0 HG21 THR A 146 49.915 16.030 2.379 1.00 44.17 H new ATOM 0 HG22 THR A 146 50.065 16.744 3.784 1.00 44.17 H new ATOM 0 HG23 THR A 146 50.116 17.600 2.452 1.00 44.17 H new ATOM 1095 N ALA A 147 51.377 18.286 5.604 1.00 40.94 N ATOM 1096 CA ALA A 147 51.010 18.138 7.000 1.00 40.06 C ATOM 1097 C ALA A 147 49.487 18.160 7.167 1.00 39.67 C ATOM 1098 O ALA A 147 48.779 18.902 6.461 1.00 39.07 O ATOM 1099 CB ALA A 147 51.690 19.225 7.857 1.00 40.32 C ATOM 0 H ALA A 147 50.915 18.870 5.175 1.00 40.94 H new ATOM 0 HA ALA A 147 51.325 17.275 7.312 1.00 40.06 H new ATOM 0 HB1 ALA A 147 51.435 19.112 8.786 1.00 40.32 H new ATOM 0 HB2 ALA A 147 52.653 19.146 7.775 1.00 40.32 H new ATOM 0 HB3 ALA A 147 51.410 20.102 7.550 1.00 40.32 H new ATOM 1100 N GLU A 148 48.988 17.333 8.085 1.00 38.97 N ATOM 1101 CA GLU A 148 47.547 17.217 8.319 1.00 38.97 C ATOM 1102 C GLU A 148 47.194 17.488 9.766 1.00 38.77 C ATOM 1103 O GLU A 148 47.944 17.133 10.693 1.00 38.30 O ATOM 1104 CB GLU A 148 47.004 15.818 7.959 1.00 38.83 C ATOM 1105 CG GLU A 148 47.185 15.366 6.547 1.00 40.10 C ATOM 1106 CD GLU A 148 48.593 14.873 6.259 1.00 39.85 C ATOM 1107 OE1 GLU A 148 49.211 14.192 7.109 1.00 40.93 O ATOM 1108 OE2 GLU A 148 49.089 15.190 5.174 1.00 40.96 O ATOM 0 H GLU A 148 49.470 16.827 8.586 1.00 38.97 H new ATOM 0 HA GLU A 148 47.138 17.881 7.742 1.00 38.97 H new ATOM 0 HB2 GLU A 148 47.431 15.170 8.541 1.00 38.83 H new ATOM 0 HB3 GLU A 148 46.056 15.801 8.162 1.00 38.83 H new ATOM 0 HG2 GLU A 148 46.553 14.655 6.356 1.00 40.10 H new ATOM 0 HG3 GLU A 148 46.975 16.100 5.948 1.00 40.10 H new ATOM 1109 N LEU A 149 46.051 18.142 9.940 1.00 38.77 N ATOM 1110 CA LEU A 149 45.350 18.206 11.213 1.00 38.56 C ATOM 1111 C LEU A 149 44.061 17.397 10.994 1.00 38.27 C ATOM 1112 O LEU A 149 43.247 17.766 10.160 1.00 38.53 O ATOM 1113 CB LEU A 149 45.050 19.660 11.590 1.00 38.48 C ATOM 1114 CG LEU A 149 44.203 19.875 12.843 1.00 38.62 C ATOM 1115 CD1 LEU A 149 44.932 19.334 14.072 1.00 36.98 C ATOM 1116 CD2 LEU A 149 43.816 21.357 13.005 1.00 38.41 C ATOM 0 H LEU A 149 45.655 18.569 9.308 1.00 38.77 H new ATOM 0 HA LEU A 149 45.874 17.846 11.945 1.00 38.56 H new ATOM 0 HB2 LEU A 149 45.894 20.123 11.710 1.00 38.48 H new ATOM 0 HB3 LEU A 149 44.599 20.081 10.842 1.00 38.48 H new ATOM 0 HG LEU A 149 43.375 19.379 12.748 1.00 38.62 H new ATOM 0 HD11 LEU A 149 44.386 19.476 14.861 1.00 36.98 H new ATOM 0 HD12 LEU A 149 45.096 18.385 13.959 1.00 36.98 H new ATOM 0 HD13 LEU A 149 45.777 19.798 14.177 1.00 36.98 H new ATOM 0 HD21 LEU A 149 43.280 21.466 13.806 1.00 38.41 H new ATOM 0 HD22 LEU A 149 44.620 21.895 13.078 1.00 38.41 H new ATOM 0 HD23 LEU A 149 43.304 21.644 12.233 1.00 38.41 H new ATOM 1117 N LYS A 150 43.887 16.288 11.711 1.00 38.22 N ATOM 1118 CA LYS A 150 42.877 15.299 11.300 1.00 38.37 C ATOM 1119 C LYS A 150 42.130 14.630 12.450 1.00 38.69 C ATOM 1120 O LYS A 150 42.639 14.532 13.573 1.00 38.67 O ATOM 1121 CB LYS A 150 43.532 14.210 10.423 1.00 37.77 C ATOM 1122 CG LYS A 150 44.355 13.191 11.216 1.00 37.87 C ATOM 1123 CD LYS A 150 45.279 12.404 10.334 1.00 38.73 C ATOM 1124 CE LYS A 150 45.854 11.220 11.058 1.00 37.51 C ATOM 1125 NZ LYS A 150 46.818 10.455 10.187 1.00 37.34 N ATOM 0 H LYS A 150 44.328 16.088 12.421 1.00 38.22 H new ATOM 0 HA LYS A 150 42.214 15.803 10.803 1.00 38.37 H new ATOM 0 HB2 LYS A 150 42.839 13.742 9.932 1.00 37.77 H new ATOM 0 HB3 LYS A 150 44.105 14.636 9.767 1.00 37.77 H new ATOM 0 HG2 LYS A 150 44.872 13.652 11.895 1.00 37.87 H new ATOM 0 HG3 LYS A 150 43.757 12.584 11.679 1.00 37.87 H new ATOM 0 HD2 LYS A 150 44.798 12.102 9.547 1.00 38.73 H new ATOM 0 HD3 LYS A 150 45.998 12.976 10.024 1.00 38.73 H new ATOM 0 HE2 LYS A 150 46.309 11.520 11.861 1.00 37.51 H new ATOM 0 HE3 LYS A 150 45.136 10.633 11.342 1.00 37.51 H new ATOM 0 HZ1 LYS A 150 47.042 9.693 10.589 1.00 37.34 H new ATOM 0 HZ2 LYS A 150 46.433 10.275 9.405 1.00 37.34 H new ATOM 0 HZ3 LYS A 150 47.549 10.944 10.052 1.00 37.34 H new ATOM 1126 N LEU A 151 40.942 14.123 12.130 1.00 38.87 N ATOM 1127 CA LEU A 151 40.122 13.351 13.050 1.00 39.67 C ATOM 1128 C LEU A 151 39.721 12.051 12.362 1.00 39.97 C ATOM 1129 O LEU A 151 39.071 12.090 11.317 1.00 39.08 O ATOM 1130 CB LEU A 151 38.835 14.124 13.381 1.00 39.62 C ATOM 1131 CG LEU A 151 37.973 13.956 14.647 1.00 40.92 C ATOM 1132 CD1 LEU A 151 36.526 14.070 14.262 1.00 39.78 C ATOM 1133 CD2 LEU A 151 38.198 12.713 15.523 1.00 41.12 C ATOM 0 H LEU A 151 40.585 14.222 11.354 1.00 38.87 H new ATOM 0 HA LEU A 151 40.624 13.182 13.863 1.00 39.67 H new ATOM 0 HB2 LEU A 151 39.080 15.062 13.354 1.00 39.62 H new ATOM 0 HB3 LEU A 151 38.236 13.966 12.634 1.00 39.62 H new ATOM 0 HG LEU A 151 38.269 14.672 15.231 1.00 40.92 H new ATOM 0 HD11 LEU A 151 35.972 13.966 15.051 1.00 39.78 H new ATOM 0 HD12 LEU A 151 36.364 14.941 13.866 1.00 39.78 H new ATOM 0 HD13 LEU A 151 36.306 13.377 13.620 1.00 39.78 H new ATOM 0 HD21 LEU A 151 37.592 12.736 16.280 1.00 41.12 H new ATOM 0 HD22 LEU A 151 38.030 11.914 15.000 1.00 41.12 H new ATOM 0 HD23 LEU A 151 39.114 12.704 15.843 1.00 41.12 H new ATOM 1134 N ASP A 152 40.119 10.917 12.942 1.00 40.94 N ATOM 1135 CA ASP A 152 39.555 9.608 12.597 1.00 41.85 C ATOM 1136 C ASP A 152 38.388 9.359 13.566 1.00 43.04 C ATOM 1137 O ASP A 152 38.593 9.186 14.750 1.00 43.95 O ATOM 1138 CB ASP A 152 40.621 8.517 12.747 1.00 41.48 C ATOM 1139 CG ASP A 152 41.619 8.495 11.590 1.00 41.99 C ATOM 1140 OD1 ASP A 152 41.199 8.416 10.411 1.00 40.44 O ATOM 1141 OD2 ASP A 152 42.833 8.533 11.867 1.00 42.03 O ATOM 0 H ASP A 152 40.727 10.885 13.550 1.00 40.94 H new ATOM 0 HA ASP A 152 39.249 9.590 11.677 1.00 41.85 H new ATOM 0 HB2 ASP A 152 41.101 8.653 13.579 1.00 41.48 H new ATOM 0 HB3 ASP A 152 40.186 7.652 12.809 1.00 41.48 H new ATOM 1142 N GLY A 153 37.163 9.245 13.089 1.00 43.87 N ATOM 1143 CA GLY A 153 36.885 8.707 11.822 1.00 45.13 C ATOM 1144 C GLY A 153 36.112 7.446 12.142 1.00 45.73 C ATOM 1145 O GLY A 153 36.626 6.336 11.965 1.00 45.43 O ATOM 0 H GLY A 153 36.463 9.492 13.523 1.00 43.87 H new ATOM 0 HA2 GLY A 153 36.363 9.319 11.280 1.00 45.13 H new ATOM 0 HA3 GLY A 153 37.698 8.513 11.329 1.00 45.13 H new ATOM 1146 N GLY A 154 34.942 7.665 12.744 1.00 46.04 N ATOM 1147 CA GLY A 154 33.766 6.812 12.627 1.00 46.16 C ATOM 1148 C GLY A 154 32.947 7.508 11.542 1.00 46.64 C ATOM 1149 O GLY A 154 33.511 8.030 10.581 1.00 46.42 O ATOM 0 H GLY A 154 34.810 8.345 13.253 1.00 46.04 H new ATOM 0 HA2 GLY A 154 34.003 5.906 12.373 1.00 46.16 H new ATOM 0 HA3 GLY A 154 33.279 6.754 13.464 1.00 46.16 H new ATOM 1150 N THR A 155 31.626 7.562 11.674 1.00 47.09 N ATOM 1151 CA THR A 155 30.841 8.264 10.648 1.00 47.13 C ATOM 1152 C THR A 155 30.513 9.691 11.079 1.00 46.92 C ATOM 1153 O THR A 155 29.500 9.935 11.738 1.00 47.79 O ATOM 1154 CB THR A 155 29.573 7.488 10.233 1.00 47.61 C ATOM 1155 OG1 THR A 155 28.857 7.092 11.407 1.00 48.92 O ATOM 1156 CG2 THR A 155 29.943 6.237 9.404 1.00 46.83 C ATOM 0 H THR A 155 31.175 7.216 12.319 1.00 47.09 H new ATOM 0 HA THR A 155 31.400 8.314 9.857 1.00 47.13 H new ATOM 0 HB THR A 155 29.018 8.065 9.686 1.00 47.61 H new ATOM 0 HG1 THR A 155 28.769 7.753 11.918 1.00 48.92 H new ATOM 0 HG21 THR A 155 29.134 5.764 9.153 1.00 46.83 H new ATOM 0 HG22 THR A 155 30.420 6.508 8.604 1.00 46.83 H new ATOM 0 HG23 THR A 155 30.508 5.653 9.934 1.00 46.83 H new ATOM 1157 N ILE A 156 31.377 10.625 10.686 1.00 45.75 N ATOM 1158 CA ILE A 156 31.314 12.020 11.131 1.00 45.17 C ATOM 1159 C ILE A 156 30.138 12.812 10.518 1.00 44.95 C ATOM 1160 O ILE A 156 29.388 13.473 11.243 1.00 44.94 O ATOM 1161 CB ILE A 156 32.681 12.742 10.914 1.00 44.98 C ATOM 1162 CG1 ILE A 156 33.826 11.910 11.513 1.00 44.86 C ATOM 1163 CG2 ILE A 156 32.661 14.131 11.525 1.00 44.88 C ATOM 1164 CD1 ILE A 156 35.209 12.332 11.059 1.00 44.70 C ATOM 0 H ILE A 156 32.026 10.465 10.145 1.00 45.75 H new ATOM 0 HA ILE A 156 31.135 11.993 12.084 1.00 45.17 H new ATOM 0 HB ILE A 156 32.828 12.833 9.960 1.00 44.98 H new ATOM 0 HG12 ILE A 156 33.783 11.969 12.480 1.00 44.86 H new ATOM 0 HG13 ILE A 156 33.691 10.978 11.279 1.00 44.86 H new ATOM 0 HG21 ILE A 156 33.518 14.561 11.379 1.00 44.88 H new ATOM 0 HG22 ILE A 156 31.960 14.658 11.109 1.00 44.88 H new ATOM 0 HG23 ILE A 156 32.492 14.063 12.478 1.00 44.88 H new ATOM 0 HD11 ILE A 156 35.875 11.764 11.477 1.00 44.70 H new ATOM 0 HD12 ILE A 156 35.273 12.248 10.095 1.00 44.70 H new ATOM 0 HD13 ILE A 156 35.366 13.255 11.314 1.00 44.70 H new ATOM 1165 N VAL A 157 29.967 12.737 9.199 1.00 44.46 N ATOM 1166 CA VAL A 157 28.810 13.368 8.544 1.00 44.23 C ATOM 1167 C VAL A 157 28.061 12.393 7.650 1.00 44.04 C ATOM 1168 O VAL A 157 28.648 11.438 7.121 1.00 43.65 O ATOM 1169 CB VAL A 157 29.187 14.631 7.700 1.00 44.33 C ATOM 1170 CG1 VAL A 157 29.611 15.765 8.597 1.00 44.63 C ATOM 1171 CG2 VAL A 157 30.267 14.318 6.665 1.00 43.91 C ATOM 0 H VAL A 157 30.503 12.329 8.664 1.00 44.46 H new ATOM 0 HA VAL A 157 28.238 13.650 9.275 1.00 44.23 H new ATOM 0 HB VAL A 157 28.394 14.906 7.214 1.00 44.33 H new ATOM 0 HG11 VAL A 157 29.840 16.537 8.056 1.00 44.63 H new ATOM 0 HG12 VAL A 157 28.883 15.994 9.195 1.00 44.63 H new ATOM 0 HG13 VAL A 157 30.383 15.495 9.118 1.00 44.63 H new ATOM 0 HG21 VAL A 157 30.475 15.121 6.162 1.00 43.91 H new ATOM 0 HG22 VAL A 157 31.066 14.003 7.116 1.00 43.91 H new ATOM 0 HG23 VAL A 157 29.946 13.631 6.060 1.00 43.91 H new ATOM 1172 N VAL A 158 26.762 12.639 7.482 1.00 43.61 N ATOM 1173 CA VAL A 158 25.982 11.879 6.523 1.00 43.23 C ATOM 1174 C VAL A 158 26.357 12.361 5.119 1.00 42.96 C ATOM 1175 O VAL A 158 26.708 13.524 4.943 1.00 42.78 O ATOM 1176 CB VAL A 158 24.433 11.957 6.783 1.00 43.64 C ATOM 1177 CG1 VAL A 158 24.106 11.605 8.228 1.00 43.31 C ATOM 1178 CG2 VAL A 158 23.877 13.316 6.430 1.00 43.58 C ATOM 0 H VAL A 158 26.321 13.239 7.913 1.00 43.61 H new ATOM 0 HA VAL A 158 26.197 10.938 6.619 1.00 43.23 H new ATOM 0 HB VAL A 158 24.009 11.305 6.204 1.00 43.64 H new ATOM 0 HG11 VAL A 158 23.147 11.659 8.366 1.00 43.31 H new ATOM 0 HG12 VAL A 158 24.409 10.703 8.418 1.00 43.31 H new ATOM 0 HG13 VAL A 158 24.553 12.228 8.822 1.00 43.31 H new ATOM 0 HG21 VAL A 158 22.922 13.330 6.602 1.00 43.58 H new ATOM 0 HG22 VAL A 158 24.312 13.994 6.970 1.00 43.58 H new ATOM 0 HG23 VAL A 158 24.039 13.498 5.491 1.00 43.58 H new ATOM 1179 N PRO A 159 26.348 11.453 4.129 1.00 42.92 N ATOM 1180 CA PRO A 159 26.506 11.835 2.722 1.00 43.02 C ATOM 1181 C PRO A 159 25.561 12.964 2.297 1.00 43.02 C ATOM 1182 O PRO A 159 24.391 12.965 2.669 1.00 42.97 O ATOM 1183 CB PRO A 159 26.169 10.546 1.983 1.00 42.72 C ATOM 1184 CG PRO A 159 26.582 9.489 2.919 1.00 42.60 C ATOM 1185 CD PRO A 159 26.232 9.992 4.280 1.00 43.04 C ATOM 0 HA PRO A 159 27.393 12.182 2.537 1.00 43.02 H new ATOM 0 HB2 PRO A 159 25.223 10.490 1.777 1.00 42.72 H new ATOM 0 HB3 PRO A 159 26.646 10.483 1.141 1.00 42.72 H new ATOM 0 HG2 PRO A 159 26.124 8.656 2.727 1.00 42.60 H new ATOM 0 HG3 PRO A 159 27.533 9.313 2.847 1.00 42.60 H new ATOM 0 HD2 PRO A 159 25.336 9.727 4.542 1.00 43.04 H new ATOM 0 HD3 PRO A 159 26.838 9.651 4.956 1.00 43.04 H new ATOM 1186 N GLY A 160 26.078 13.925 1.539 1.00 43.35 N ATOM 1187 CA GLY A 160 25.280 15.066 1.106 1.00 43.87 C ATOM 1188 C GLY A 160 25.544 16.330 1.900 1.00 44.48 C ATOM 1189 O GLY A 160 25.211 17.420 1.448 1.00 44.67 O ATOM 0 H GLY A 160 26.893 13.935 1.264 1.00 43.35 H new ATOM 0 HA2 GLY A 160 25.459 15.239 0.169 1.00 43.87 H new ATOM 0 HA3 GLY A 160 24.340 14.839 1.178 1.00 43.87 H new ATOM 1190 N THR A 161 26.152 16.177 3.077 1.00 44.59 N ATOM 1191 CA THR A 161 26.375 17.273 4.017 1.00 45.36 C ATOM 1192 C THR A 161 27.477 18.232 3.562 1.00 45.62 C ATOM 1193 O THR A 161 28.556 17.799 3.135 1.00 45.85 O ATOM 1194 CB THR A 161 26.710 16.721 5.425 1.00 45.42 C ATOM 1195 OG1 THR A 161 25.681 15.812 5.830 1.00 46.33 O ATOM 1196 CG2 THR A 161 26.818 17.827 6.456 1.00 45.00 C ATOM 0 H THR A 161 26.451 15.420 3.355 1.00 44.59 H new ATOM 0 HA THR A 161 25.548 17.779 4.051 1.00 45.36 H new ATOM 0 HB THR A 161 27.569 16.273 5.371 1.00 45.42 H new ATOM 0 HG1 THR A 161 25.849 15.046 5.529 1.00 46.33 H new ATOM 0 HG21 THR A 161 27.028 17.443 7.322 1.00 45.00 H new ATOM 0 HG22 THR A 161 27.521 18.444 6.197 1.00 45.00 H new ATOM 0 HG23 THR A 161 25.975 18.303 6.510 1.00 45.00 H new ATOM 1197 N THR A 162 27.181 19.530 3.648 1.00 45.74 N ATOM 1198 CA THR A 162 28.159 20.592 3.408 1.00 45.97 C ATOM 1199 C THR A 162 28.733 21.067 4.742 1.00 46.04 C ATOM 1200 O THR A 162 27.999 21.530 5.614 1.00 46.26 O ATOM 1201 CB THR A 162 27.548 21.770 2.599 1.00 46.10 C ATOM 1202 OG1 THR A 162 27.246 21.321 1.274 1.00 45.81 O ATOM 1203 CG2 THR A 162 28.518 22.937 2.502 1.00 45.71 C ATOM 0 H THR A 162 26.397 19.821 3.850 1.00 45.74 H new ATOM 0 HA THR A 162 28.878 20.232 2.866 1.00 45.97 H new ATOM 0 HB THR A 162 26.747 22.067 3.057 1.00 46.10 H new ATOM 0 HG1 THR A 162 26.914 21.954 0.832 1.00 45.81 H new ATOM 0 HG21 THR A 162 28.111 23.655 1.993 1.00 45.71 H new ATOM 0 HG22 THR A 162 28.733 23.254 3.393 1.00 45.71 H new ATOM 0 HG23 THR A 162 29.330 22.647 2.058 1.00 45.71 H new ATOM 1204 N MET A 163 30.046 20.910 4.891 1.00 45.80 N ATOM 1205 CA MET A 163 30.764 21.307 6.090 1.00 45.95 C ATOM 1206 C MET A 163 31.412 22.669 5.871 1.00 45.45 C ATOM 1207 O MET A 163 31.875 22.976 4.773 1.00 45.43 O ATOM 1208 CB MET A 163 31.859 20.289 6.427 1.00 46.04 C ATOM 1209 CG MET A 163 31.388 18.887 6.739 1.00 45.97 C ATOM 1210 SD MET A 163 32.688 17.700 6.324 1.00 47.46 S ATOM 1211 CE MET A 163 32.497 17.568 4.539 1.00 46.27 C ATOM 0 H MET A 163 30.550 20.564 4.286 1.00 45.80 H new ATOM 0 HA MET A 163 30.131 21.350 6.824 1.00 45.95 H new ATOM 0 HB2 MET A 163 32.476 20.245 5.680 1.00 46.04 H new ATOM 0 HB3 MET A 163 32.360 20.620 7.189 1.00 46.04 H new ATOM 0 HG2 MET A 163 31.160 18.815 7.679 1.00 45.97 H new ATOM 0 HG3 MET A 163 30.583 18.687 6.236 1.00 45.97 H new ATOM 0 HE1 MET A 163 32.143 16.693 4.315 1.00 46.27 H new ATOM 0 HE2 MET A 163 31.886 18.253 4.227 1.00 46.27 H new ATOM 0 HE3 MET A 163 33.360 17.686 4.111 1.00 46.27 H new ATOM 1212 N THR A 164 31.450 23.476 6.924 1.00 45.02 N ATOM 1213 CA THR A 164 32.108 24.781 6.877 1.00 44.74 C ATOM 1214 C THR A 164 33.274 24.797 7.850 1.00 44.35 C ATOM 1215 O THR A 164 33.088 24.544 9.036 1.00 44.26 O ATOM 1216 CB THR A 164 31.110 25.928 7.208 1.00 44.59 C ATOM 1217 OG1 THR A 164 30.062 25.932 6.237 1.00 44.87 O ATOM 1218 CG2 THR A 164 31.801 27.281 7.197 1.00 44.73 C ATOM 0 H THR A 164 31.097 23.286 7.685 1.00 45.02 H new ATOM 0 HA THR A 164 32.437 24.928 5.976 1.00 44.74 H new ATOM 0 HB THR A 164 30.752 25.774 8.096 1.00 44.59 H new ATOM 0 HG1 THR A 164 29.520 26.549 6.412 1.00 44.87 H new ATOM 0 HG21 THR A 164 31.157 27.975 7.406 1.00 44.73 H new ATOM 0 HG22 THR A 164 32.510 27.288 7.859 1.00 44.73 H new ATOM 0 HG23 THR A 164 32.178 27.445 6.319 1.00 44.73 H new ATOM 1219 N PHE A 165 34.464 25.089 7.322 1.00 44.27 N ATOM 1220 CA PHE A 165 35.703 25.220 8.094 1.00 43.88 C ATOM 1221 C PHE A 165 36.095 26.695 8.165 1.00 43.91 C ATOM 1222 O PHE A 165 35.959 27.429 7.178 1.00 44.18 O ATOM 1223 CB PHE A 165 36.866 24.454 7.419 1.00 43.59 C ATOM 1224 CG PHE A 165 36.627 22.969 7.237 1.00 43.25 C ATOM 1225 CD1 PHE A 165 35.754 22.492 6.248 1.00 43.90 C ATOM 1226 CD2 PHE A 165 37.307 22.046 8.018 1.00 43.35 C ATOM 1227 CE1 PHE A 165 35.548 21.119 6.072 1.00 42.08 C ATOM 1228 CE2 PHE A 165 37.107 20.669 7.841 1.00 43.49 C ATOM 1229 CZ PHE A 165 36.226 20.211 6.866 1.00 42.59 C ATOM 0 H PHE A 165 34.576 25.220 6.480 1.00 44.27 H new ATOM 0 HA PHE A 165 35.546 24.852 8.978 1.00 43.88 H new ATOM 0 HB2 PHE A 165 37.037 24.850 6.550 1.00 43.59 H new ATOM 0 HB3 PHE A 165 37.669 24.577 7.949 1.00 43.59 H new ATOM 0 HD1 PHE A 165 35.306 23.097 5.702 1.00 43.90 H new ATOM 0 HD2 PHE A 165 37.903 22.344 8.667 1.00 43.35 H new ATOM 0 HE1 PHE A 165 34.956 20.817 5.422 1.00 42.08 H new ATOM 0 HE2 PHE A 165 37.564 20.061 8.376 1.00 43.49 H new ATOM 0 HZ PHE A 165 36.093 19.298 6.749 1.00 42.59 H new ATOM 1230 N ARG A 166 36.582 27.123 9.324 1.00 43.54 N ATOM 1231 CA ARG A 166 37.180 28.448 9.463 1.00 43.44 C ATOM 1232 C ARG A 166 38.649 28.282 9.791 1.00 43.72 C ATOM 1233 O ARG A 166 39.003 27.670 10.798 1.00 43.29 O ATOM 1234 CB ARG A 166 36.456 29.295 10.522 1.00 43.59 C ATOM 1235 CG ARG A 166 35.118 29.881 10.040 1.00 42.72 C ATOM 1236 CD ARG A 166 33.965 28.903 10.233 1.00 43.36 C ATOM 1237 NE ARG A 166 32.677 29.511 9.905 1.00 43.36 N ATOM 1238 CZ ARG A 166 31.502 29.101 10.376 1.00 43.71 C ATOM 1239 NH1 ARG A 166 31.426 28.062 11.199 1.00 43.68 N ATOM 1240 NH2 ARG A 166 30.395 29.736 10.021 1.00 44.06 N ATOM 0 H ARG A 166 36.576 26.659 10.048 1.00 43.54 H new ATOM 0 HA ARG A 166 37.087 28.929 8.626 1.00 43.44 H new ATOM 0 HB2 ARG A 166 36.296 28.748 11.307 1.00 43.59 H new ATOM 0 HB3 ARG A 166 37.038 30.021 10.796 1.00 43.59 H new ATOM 0 HG2 ARG A 166 34.931 30.700 10.525 1.00 42.72 H new ATOM 0 HG3 ARG A 166 35.188 30.116 9.102 1.00 42.72 H new ATOM 0 HD2 ARG A 166 34.106 28.123 9.674 1.00 43.36 H new ATOM 0 HD3 ARG A 166 33.953 28.595 11.153 1.00 43.36 H new ATOM 0 HE ARG A 166 32.679 30.183 9.368 1.00 43.36 H new ATOM 0 HH11 ARG A 166 32.141 27.646 11.433 1.00 43.68 H new ATOM 0 HH12 ARG A 166 30.662 27.805 11.498 1.00 43.68 H new ATOM 0 HH21 ARG A 166 30.438 30.410 9.488 1.00 44.06 H new ATOM 0 HH22 ARG A 166 29.633 29.474 10.323 1.00 44.06 H new ATOM 1241 N ILE A 167 39.498 28.800 8.909 1.00 44.07 N ATOM 1242 CA ILE A 167 40.944 28.590 8.998 1.00 44.40 C ATOM 1243 C ILE A 167 41.662 29.939 8.966 1.00 44.48 C ATOM 1244 O ILE A 167 41.466 30.732 8.040 1.00 44.55 O ATOM 1245 CB ILE A 167 41.479 27.685 7.840 1.00 44.64 C ATOM 1246 CG1 ILE A 167 40.612 26.423 7.665 1.00 44.13 C ATOM 1247 CG2 ILE A 167 42.958 27.349 8.062 1.00 44.24 C ATOM 1248 CD1 ILE A 167 40.932 25.598 6.415 1.00 44.58 C ATOM 0 H ILE A 167 39.254 29.284 8.241 1.00 44.07 H new ATOM 0 HA ILE A 167 41.123 28.134 9.835 1.00 44.40 H new ATOM 0 HB ILE A 167 41.414 28.180 7.008 1.00 44.64 H new ATOM 0 HG12 ILE A 167 40.721 25.859 8.447 1.00 44.13 H new ATOM 0 HG13 ILE A 167 39.679 26.687 7.634 1.00 44.13 H new ATOM 0 HG21 ILE A 167 43.275 26.788 7.337 1.00 44.24 H new ATOM 0 HG22 ILE A 167 43.476 28.169 8.086 1.00 44.24 H new ATOM 0 HG23 ILE A 167 43.060 26.877 8.903 1.00 44.24 H new ATOM 0 HD11 ILE A 167 40.346 24.826 6.378 1.00 44.58 H new ATOM 0 HD12 ILE A 167 40.797 26.143 5.624 1.00 44.58 H new ATOM 0 HD13 ILE A 167 41.855 25.302 6.450 1.00 44.58 H new ATOM 1249 N TRP A 168 42.478 30.195 9.985 1.00 44.40 N ATOM 1250 CA TRP A 168 43.270 31.412 10.044 1.00 44.41 C ATOM 1251 C TRP A 168 44.648 31.108 9.474 1.00 44.45 C ATOM 1252 O TRP A 168 45.410 30.320 10.043 1.00 44.64 O ATOM 1253 CB TRP A 168 43.370 31.915 11.486 1.00 44.63 C ATOM 1254 CG TRP A 168 43.779 33.359 11.608 1.00 44.97 C ATOM 1255 CD1 TRP A 168 42.947 34.445 11.708 1.00 45.55 C ATOM 1256 CD2 TRP A 168 45.116 33.876 11.639 1.00 45.08 C ATOM 1257 NE1 TRP A 168 43.686 35.603 11.804 1.00 44.76 N ATOM 1258 CE2 TRP A 168 45.018 35.284 11.765 1.00 45.29 C ATOM 1259 CE3 TRP A 168 46.388 33.288 11.583 1.00 45.35 C ATOM 1260 CZ2 TRP A 168 46.147 36.111 11.834 1.00 45.60 C ATOM 1261 CZ3 TRP A 168 47.513 34.116 11.646 1.00 45.07 C ATOM 1262 CH2 TRP A 168 47.381 35.511 11.769 1.00 45.50 C ATOM 0 H TRP A 168 42.586 29.669 10.657 1.00 44.40 H new ATOM 0 HA TRP A 168 42.849 32.113 9.523 1.00 44.41 H new ATOM 0 HB2 TRP A 168 42.511 31.795 11.920 1.00 44.63 H new ATOM 0 HB3 TRP A 168 44.010 31.366 11.966 1.00 44.63 H new ATOM 0 HD1 TRP A 168 42.018 34.405 11.711 1.00 45.55 H new ATOM 0 HE1 TRP A 168 43.364 36.397 11.877 1.00 44.76 H new ATOM 0 HE3 TRP A 168 46.481 32.366 11.506 1.00 45.35 H new ATOM 0 HZ2 TRP A 168 46.064 37.033 11.921 1.00 45.60 H new ATOM 0 HZ3 TRP A 168 48.362 33.738 11.606 1.00 45.07 H new ATOM 0 HH2 TRP A 168 48.146 36.039 11.807 1.00 45.50 H new ATOM 1263 N ILE A 169 44.958 31.726 8.341 1.00 44.45 N ATOM 1264 CA ILE A 169 46.174 31.407 7.591 1.00 44.45 C ATOM 1265 C ILE A 169 47.155 32.581 7.592 1.00 44.50 C ATOM 1266 O ILE A 169 46.822 33.653 7.083 1.00 44.27 O ATOM 1267 CB ILE A 169 45.854 31.007 6.126 1.00 44.27 C ATOM 1268 CG1 ILE A 169 44.787 29.906 6.100 1.00 44.49 C ATOM 1269 CG2 ILE A 169 47.145 30.592 5.386 1.00 43.72 C ATOM 1270 CD1 ILE A 169 44.088 29.717 4.759 1.00 44.68 C ATOM 0 H ILE A 169 44.474 32.340 7.984 1.00 44.45 H new ATOM 0 HA ILE A 169 46.585 30.651 8.039 1.00 44.45 H new ATOM 0 HB ILE A 169 45.490 31.773 5.655 1.00 44.27 H new ATOM 0 HG12 ILE A 169 45.202 29.067 6.354 1.00 44.49 H new ATOM 0 HG13 ILE A 169 44.118 30.107 6.773 1.00 44.49 H new ATOM 0 HG21 ILE A 169 46.930 30.345 4.473 1.00 43.72 H new ATOM 0 HG22 ILE A 169 47.768 31.335 5.381 1.00 43.72 H new ATOM 0 HG23 ILE A 169 47.549 29.835 5.839 1.00 43.72 H new ATOM 0 HD11 ILE A 169 43.433 29.005 4.833 1.00 44.68 H new ATOM 0 HD12 ILE A 169 43.642 30.541 4.507 1.00 44.68 H new ATOM 0 HD13 ILE A 169 44.743 29.484 4.082 1.00 44.68 H new ATOM 1271 N PRO A 170 48.374 32.368 8.138 1.00 44.56 N ATOM 1272 CA PRO A 170 49.375 33.437 8.243 1.00 44.72 C ATOM 1273 C PRO A 170 50.057 33.781 6.913 1.00 44.94 C ATOM 1274 O PRO A 170 50.117 32.943 6.001 1.00 44.67 O ATOM 1275 CB PRO A 170 50.405 32.847 9.212 1.00 44.62 C ATOM 1276 CG PRO A 170 50.334 31.360 8.947 1.00 44.73 C ATOM 1277 CD PRO A 170 48.871 31.092 8.697 1.00 44.26 C ATOM 0 HA PRO A 170 48.968 34.269 8.530 1.00 44.72 H new ATOM 0 HB2 PRO A 170 51.294 33.197 9.044 1.00 44.62 H new ATOM 0 HB3 PRO A 170 50.188 33.056 10.134 1.00 44.62 H new ATOM 0 HG2 PRO A 170 50.875 31.111 8.181 1.00 44.73 H new ATOM 0 HG3 PRO A 170 50.662 30.850 9.704 1.00 44.73 H new ATOM 0 HD2 PRO A 170 48.744 30.357 8.077 1.00 44.26 H new ATOM 0 HD3 PRO A 170 48.407 30.856 9.515 1.00 44.26 H new ATOM 1278 N SER A 171 50.571 35.010 6.833 1.00 44.97 N ATOM 1279 CA SER A 171 51.407 35.468 5.724 1.00 45.12 C ATOM 1280 C SER A 171 52.854 34.997 5.902 1.00 45.26 C ATOM 1281 O SER A 171 53.256 34.599 7.002 1.00 45.12 O ATOM 1282 CB SER A 171 51.375 36.996 5.644 1.00 45.25 C ATOM 1283 OG SER A 171 51.913 37.565 6.826 1.00 44.87 O ATOM 0 H SER A 171 50.440 35.611 7.434 1.00 44.97 H new ATOM 0 HA SER A 171 51.055 35.091 4.903 1.00 45.12 H new ATOM 0 HB2 SER A 171 51.883 37.296 4.874 1.00 45.25 H new ATOM 0 HB3 SER A 171 50.462 37.300 5.518 1.00 45.25 H new ATOM 0 HG SER A 171 51.308 37.976 7.240 1.00 44.87 H new ATOM 1284 N GLY A 172 53.624 35.038 4.815 1.00 45.55 N ATOM 1285 CA GLY A 172 55.040 34.646 4.826 1.00 46.08 C ATOM 1286 C GLY A 172 55.348 33.190 5.153 1.00 46.45 C ATOM 1287 O GLY A 172 56.461 32.869 5.593 1.00 46.55 O ATOM 0 H GLY A 172 53.341 35.295 4.045 1.00 45.55 H new ATOM 0 HA2 GLY A 172 55.416 34.846 3.954 1.00 46.08 H new ATOM 0 HA3 GLY A 172 55.503 35.205 5.469 1.00 46.08 H new ATOM 1288 N ALA A 173 54.373 32.306 4.937 1.00 46.47 N ATOM 1289 CA ALA A 173 54.515 30.892 5.283 1.00 46.74 C ATOM 1290 C ALA A 173 55.005 30.081 4.076 1.00 46.89 C ATOM 1291 O ALA A 173 54.639 30.396 2.937 1.00 46.96 O ATOM 1292 CB ALA A 173 53.191 30.347 5.802 1.00 46.83 C ATOM 0 H ALA A 173 53.614 32.509 4.587 1.00 46.47 H new ATOM 0 HA ALA A 173 55.180 30.809 5.984 1.00 46.74 H new ATOM 0 HB1 ALA A 173 53.293 29.410 6.029 1.00 46.83 H new ATOM 0 HB2 ALA A 173 52.924 30.843 6.592 1.00 46.83 H new ATOM 0 HB3 ALA A 173 52.511 30.441 5.116 1.00 46.83 H new ATOM 1293 N PRO A 174 55.840 29.041 4.311 1.00 46.90 N ATOM 1294 CA PRO A 174 56.349 28.227 3.200 1.00 46.79 C ATOM 1295 C PRO A 174 55.301 27.258 2.633 1.00 47.06 C ATOM 1296 O PRO A 174 55.594 26.070 2.442 1.00 47.12 O ATOM 1297 CB PRO A 174 57.500 27.456 3.843 1.00 46.71 C ATOM 1298 CG PRO A 174 57.087 27.308 5.266 1.00 46.52 C ATOM 1299 CD PRO A 174 56.362 28.575 5.612 1.00 46.74 C ATOM 0 HA PRO A 174 56.608 28.773 2.441 1.00 46.79 H new ATOM 0 HB2 PRO A 174 57.629 26.593 3.419 1.00 46.71 H new ATOM 0 HB3 PRO A 174 58.338 27.939 3.765 1.00 46.71 H new ATOM 0 HG2 PRO A 174 56.513 26.535 5.384 1.00 46.52 H new ATOM 0 HG3 PRO A 174 57.858 27.179 5.841 1.00 46.52 H new ATOM 0 HD2 PRO A 174 55.647 28.415 6.247 1.00 46.74 H new ATOM 0 HD3 PRO A 174 56.956 29.228 6.013 1.00 46.74 H new ATOM 1300 N ILE A 175 54.100 27.764 2.351 1.00 47.06 N ATOM 1301 CA ILE A 175 53.015 26.922 1.848 1.00 47.58 C ATOM 1302 C ILE A 175 52.609 27.180 0.389 1.00 46.96 C ATOM 1303 O ILE A 175 52.706 28.306 -0.109 1.00 46.57 O ATOM 1304 CB ILE A 175 51.797 26.888 2.811 1.00 47.67 C ATOM 1305 CG1 ILE A 175 51.454 28.274 3.332 1.00 48.15 C ATOM 1306 CG2 ILE A 175 52.131 26.023 4.004 1.00 48.97 C ATOM 1307 CD1 ILE A 175 50.502 28.265 4.531 1.00 48.36 C ATOM 0 H ILE A 175 53.893 28.594 2.444 1.00 47.06 H new ATOM 0 HA ILE A 175 53.394 26.029 1.830 1.00 47.58 H new ATOM 0 HB ILE A 175 51.041 26.538 2.314 1.00 47.67 H new ATOM 0 HG12 ILE A 175 52.274 28.728 3.584 1.00 48.15 H new ATOM 0 HG13 ILE A 175 51.053 28.790 2.615 1.00 48.15 H new ATOM 0 HG21 ILE A 175 51.373 25.999 4.609 1.00 48.97 H new ATOM 0 HG22 ILE A 175 52.334 25.123 3.705 1.00 48.97 H new ATOM 0 HG23 ILE A 175 52.901 26.391 4.466 1.00 48.97 H new ATOM 0 HD11 ILE A 175 50.326 29.177 4.811 1.00 48.36 H new ATOM 0 HD12 ILE A 175 49.668 27.838 4.279 1.00 48.36 H new ATOM 0 HD13 ILE A 175 50.908 27.775 5.263 1.00 48.36 H new ATOM 1308 N ALA A 176 52.183 26.111 -0.287 1.00 46.30 N ATOM 1309 CA ALA A 176 51.756 26.183 -1.684 1.00 45.68 C ATOM 1310 C ALA A 176 50.238 26.157 -1.803 1.00 45.43 C ATOM 1311 O ALA A 176 49.655 26.834 -2.655 1.00 45.34 O ATOM 1312 CB ALA A 176 52.360 25.040 -2.485 1.00 45.74 C ATOM 0 H ALA A 176 52.134 25.323 0.053 1.00 46.30 H new ATOM 0 HA ALA A 176 52.073 27.026 -2.045 1.00 45.68 H new ATOM 0 HB1 ALA A 176 52.068 25.102 -3.408 1.00 45.74 H new ATOM 0 HB2 ALA A 176 53.328 25.095 -2.448 1.00 45.74 H new ATOM 0 HB3 ALA A 176 52.070 24.194 -2.110 1.00 45.74 H new ATOM 1313 N ALA A 177 49.611 25.360 -0.945 1.00 45.06 N ATOM 1314 CA ALA A 177 48.174 25.126 -0.984 1.00 44.66 C ATOM 1315 C ALA A 177 47.672 24.647 0.368 1.00 44.53 C ATOM 1316 O ALA A 177 48.434 24.150 1.195 1.00 44.36 O ATOM 1317 CB ALA A 177 47.828 24.102 -2.063 1.00 44.42 C ATOM 0 H ALA A 177 50.014 24.935 -0.316 1.00 45.06 H new ATOM 0 HA ALA A 177 47.737 25.965 -1.198 1.00 44.66 H new ATOM 0 HB1 ALA A 177 46.869 23.957 -2.076 1.00 44.42 H new ATOM 0 HB2 ALA A 177 48.117 24.433 -2.928 1.00 44.42 H new ATOM 0 HB3 ALA A 177 48.278 23.265 -1.871 1.00 44.42 H new ATOM 1318 N ILE A 178 46.375 24.808 0.579 1.00 44.65 N ATOM 1319 CA ILE A 178 45.712 24.330 1.777 1.00 44.69 C ATOM 1320 C ILE A 178 44.355 23.769 1.339 1.00 44.33 C ATOM 1321 O ILE A 178 43.773 24.236 0.352 1.00 43.99 O ATOM 1322 CB ILE A 178 45.590 25.450 2.858 1.00 44.65 C ATOM 1323 CG1 ILE A 178 45.160 24.867 4.207 1.00 45.12 C ATOM 1324 CG2 ILE A 178 44.652 26.578 2.411 1.00 45.11 C ATOM 1325 CD1 ILE A 178 45.348 25.824 5.386 1.00 45.38 C ATOM 0 H ILE A 178 45.850 25.202 0.024 1.00 44.65 H new ATOM 0 HA ILE A 178 46.231 23.632 2.207 1.00 44.69 H new ATOM 0 HB ILE A 178 46.470 25.842 2.969 1.00 44.65 H new ATOM 0 HG12 ILE A 178 44.226 24.611 4.156 1.00 45.12 H new ATOM 0 HG13 ILE A 178 45.667 24.057 4.375 1.00 45.12 H new ATOM 0 HG21 ILE A 178 44.602 27.252 3.106 1.00 45.11 H new ATOM 0 HG22 ILE A 178 44.993 26.979 1.596 1.00 45.11 H new ATOM 0 HG23 ILE A 178 43.767 26.217 2.247 1.00 45.11 H new ATOM 0 HD11 ILE A 178 45.057 25.391 6.204 1.00 45.38 H new ATOM 0 HD12 ILE A 178 46.285 26.063 5.463 1.00 45.38 H new ATOM 0 HD13 ILE A 178 44.822 26.625 5.240 1.00 45.38 H new ATOM 1326 N GLN A 179 43.868 22.763 2.058 1.00 43.80 N ATOM 1327 CA GLN A 179 42.574 22.161 1.736 1.00 43.45 C ATOM 1328 C GLN A 179 41.941 21.387 2.884 1.00 42.73 C ATOM 1329 O GLN A 179 42.523 20.428 3.394 1.00 43.27 O ATOM 1330 CB GLN A 179 42.679 21.260 0.501 1.00 43.59 C ATOM 1331 CG GLN A 179 43.682 20.111 0.587 1.00 43.39 C ATOM 1332 CD GLN A 179 43.787 19.361 -0.724 1.00 43.97 C ATOM 1333 OE1 GLN A 179 42.958 19.538 -1.618 1.00 46.88 O ATOM 1334 NE2 GLN A 179 44.805 18.522 -0.852 1.00 44.49 N ATOM 0 H GLN A 179 44.268 22.414 2.735 1.00 43.80 H new ATOM 0 HA GLN A 179 41.986 22.910 1.552 1.00 43.45 H new ATOM 0 HB2 GLN A 179 41.802 20.886 0.321 1.00 43.59 H new ATOM 0 HB3 GLN A 179 42.914 21.813 -0.261 1.00 43.59 H new ATOM 0 HG2 GLN A 179 44.554 20.459 0.832 1.00 43.39 H new ATOM 0 HG3 GLN A 179 43.414 19.499 1.290 1.00 43.39 H new ATOM 0 HE21 GLN A 179 45.365 18.424 -0.207 1.00 44.49 H new ATOM 0 HE22 GLN A 179 44.906 18.076 -1.580 1.00 44.49 H new ATOM 1335 N PRO A 180 40.741 21.803 3.300 1.00 42.15 N ATOM 1336 CA PRO A 180 39.950 20.904 4.125 1.00 41.24 C ATOM 1337 C PRO A 180 39.596 19.652 3.307 1.00 40.51 C ATOM 1338 O PRO A 180 39.457 19.732 2.085 1.00 39.46 O ATOM 1339 CB PRO A 180 38.694 21.721 4.421 1.00 41.51 C ATOM 1340 CG PRO A 180 38.621 22.726 3.297 1.00 42.11 C ATOM 1341 CD PRO A 180 40.048 23.081 3.049 1.00 42.29 C ATOM 0 HA PRO A 180 40.402 20.603 4.929 1.00 41.24 H new ATOM 0 HB2 PRO A 180 37.904 21.158 4.443 1.00 41.51 H new ATOM 0 HB3 PRO A 180 38.754 22.160 5.284 1.00 41.51 H new ATOM 0 HG2 PRO A 180 38.205 22.347 2.507 1.00 42.11 H new ATOM 0 HG3 PRO A 180 38.098 23.504 3.548 1.00 42.11 H new ATOM 0 HD2 PRO A 180 40.190 23.397 2.143 1.00 42.29 H new ATOM 0 HD3 PRO A 180 40.355 23.782 3.645 1.00 42.29 H new ATOM 1342 N TYR A 181 39.479 18.509 3.976 1.00 39.55 N ATOM 1343 CA TYR A 181 39.147 17.274 3.290 1.00 39.26 C ATOM 1344 C TYR A 181 38.228 16.383 4.108 1.00 39.34 C ATOM 1345 O TYR A 181 38.110 16.517 5.329 1.00 39.25 O ATOM 1346 CB TYR A 181 40.413 16.518 2.838 1.00 38.99 C ATOM 1347 CG TYR A 181 41.249 15.945 3.974 1.00 38.75 C ATOM 1348 CD1 TYR A 181 40.999 14.660 4.484 1.00 38.81 C ATOM 1349 CD2 TYR A 181 42.294 16.679 4.521 1.00 37.67 C ATOM 1350 CE1 TYR A 181 41.772 14.134 5.521 1.00 38.09 C ATOM 1351 CE2 TYR A 181 43.069 16.170 5.556 1.00 38.27 C ATOM 1352 CZ TYR A 181 42.805 14.908 6.052 1.00 38.46 C ATOM 1353 OH TYR A 181 43.596 14.429 7.074 1.00 38.97 O ATOM 0 H TYR A 181 39.588 18.431 4.825 1.00 39.55 H new ATOM 0 HA TYR A 181 38.654 17.524 2.493 1.00 39.26 H new ATOM 0 HB2 TYR A 181 40.150 15.794 2.249 1.00 38.99 H new ATOM 0 HB3 TYR A 181 40.966 17.121 2.317 1.00 38.99 H new ATOM 0 HD1 TYR A 181 40.308 14.152 4.125 1.00 38.81 H new ATOM 0 HD2 TYR A 181 42.478 17.528 4.188 1.00 37.67 H new ATOM 0 HE1 TYR A 181 41.601 13.282 5.852 1.00 38.09 H new ATOM 0 HE2 TYR A 181 43.762 16.677 5.913 1.00 38.27 H new ATOM 0 HH TYR A 181 43.489 13.599 7.146 1.00 38.97 H new ATOM 1354 N ILE A 182 37.543 15.492 3.405 1.00 39.90 N ATOM 1355 CA ILE A 182 36.828 14.400 4.041 1.00 39.80 C ATOM 1356 C ILE A 182 37.168 13.123 3.276 1.00 39.25 C ATOM 1357 O ILE A 182 37.104 13.081 2.053 1.00 38.79 O ATOM 1358 CB ILE A 182 35.301 14.656 4.175 1.00 40.38 C ATOM 1359 CG1 ILE A 182 34.624 13.492 4.914 1.00 40.90 C ATOM 1360 CG2 ILE A 182 34.625 14.890 2.814 1.00 40.55 C ATOM 1361 CD1 ILE A 182 34.503 13.686 6.403 1.00 44.14 C ATOM 0 H ILE A 182 37.480 15.504 2.547 1.00 39.90 H new ATOM 0 HA ILE A 182 37.117 14.313 4.963 1.00 39.80 H new ATOM 0 HB ILE A 182 35.193 15.469 4.693 1.00 40.38 H new ATOM 0 HG12 ILE A 182 33.738 13.360 4.543 1.00 40.90 H new ATOM 0 HG13 ILE A 182 35.126 12.680 4.745 1.00 40.90 H new ATOM 0 HG21 ILE A 182 33.677 15.045 2.946 1.00 40.55 H new ATOM 0 HG22 ILE A 182 35.022 15.664 2.384 1.00 40.55 H new ATOM 0 HG23 ILE A 182 34.750 14.109 2.252 1.00 40.55 H new ATOM 0 HD11 ILE A 182 34.068 12.913 6.796 1.00 44.14 H new ATOM 0 HD12 ILE A 182 35.387 13.790 6.789 1.00 44.14 H new ATOM 0 HD13 ILE A 182 33.976 14.480 6.584 1.00 44.14 H new ATOM 1362 N MET A 183 37.585 12.102 4.014 1.00 38.43 N ATOM 1363 CA MET A 183 38.106 10.876 3.420 1.00 37.56 C ATOM 1364 C MET A 183 37.436 9.619 4.026 1.00 36.74 C ATOM 1365 O MET A 183 37.953 9.034 4.999 1.00 36.68 O ATOM 1366 CB MET A 183 39.643 10.837 3.543 1.00 37.66 C ATOM 1367 CG MET A 183 40.334 9.585 2.955 1.00 36.75 C ATOM 1368 SD MET A 183 42.136 9.729 3.027 1.00 38.63 S ATOM 1369 CE MET A 183 42.427 9.751 4.794 1.00 38.38 C ATOM 0 H MET A 183 37.574 12.099 4.874 1.00 38.43 H new ATOM 0 HA MET A 183 37.884 10.873 2.476 1.00 37.56 H new ATOM 0 HB2 MET A 183 40.006 11.622 3.104 1.00 37.66 H new ATOM 0 HB3 MET A 183 39.877 10.904 4.482 1.00 37.66 H new ATOM 0 HG2 MET A 183 40.051 8.797 3.445 1.00 36.75 H new ATOM 0 HG3 MET A 183 40.054 9.462 2.034 1.00 36.75 H new ATOM 0 HE1 MET A 183 43.364 9.573 4.970 1.00 38.38 H new ATOM 0 HE2 MET A 183 42.191 10.622 5.150 1.00 38.38 H new ATOM 0 HE3 MET A 183 41.883 9.070 5.220 1.00 38.38 H new ATOM 1370 N PRO A 184 36.260 9.236 3.476 1.00 35.63 N ATOM 1371 CA PRO A 184 35.630 7.934 3.727 1.00 35.18 C ATOM 1372 C PRO A 184 36.527 6.808 3.217 1.00 34.91 C ATOM 1373 O PRO A 184 37.257 6.982 2.245 1.00 35.05 O ATOM 1374 CB PRO A 184 34.354 7.974 2.877 1.00 34.52 C ATOM 1375 CG PRO A 184 34.130 9.402 2.563 1.00 34.83 C ATOM 1376 CD PRO A 184 35.453 10.066 2.559 1.00 35.39 C ATOM 0 HA PRO A 184 35.466 7.778 4.670 1.00 35.18 H new ATOM 0 HB2 PRO A 184 34.458 7.451 2.067 1.00 34.52 H new ATOM 0 HB3 PRO A 184 33.601 7.601 3.361 1.00 34.52 H new ATOM 0 HG2 PRO A 184 33.697 9.498 1.701 1.00 34.83 H new ATOM 0 HG3 PRO A 184 33.545 9.809 3.221 1.00 34.83 H new ATOM 0 HD2 PRO A 184 35.837 10.091 1.669 1.00 35.39 H new ATOM 0 HD3 PRO A 184 35.393 10.984 2.868 1.00 35.39 H new ATOM 1377 N HIS A 185 36.470 5.665 3.877 1.00 34.17 N ATOM 1378 CA HIS A 185 37.315 4.540 3.528 1.00 33.81 C ATOM 1379 C HIS A 185 36.614 3.295 4.065 1.00 33.73 C ATOM 1380 O HIS A 185 35.827 3.387 5.017 1.00 33.59 O ATOM 1381 CB HIS A 185 38.730 4.711 4.130 1.00 33.79 C ATOM 1382 CG HIS A 185 38.739 4.893 5.620 1.00 33.52 C ATOM 1383 ND1 HIS A 185 38.778 3.831 6.499 1.00 34.55 N ATOM 1384 CD2 HIS A 185 38.683 6.010 6.384 1.00 32.27 C ATOM 1385 CE1 HIS A 185 38.753 4.285 7.739 1.00 32.67 C ATOM 1386 NE2 HIS A 185 38.689 5.604 7.698 1.00 33.61 N ATOM 0 H HIS A 185 35.941 5.519 4.539 1.00 34.17 H new ATOM 0 HA HIS A 185 37.440 4.471 2.569 1.00 33.81 H new ATOM 0 HB2 HIS A 185 39.264 3.933 3.905 1.00 33.79 H new ATOM 0 HB3 HIS A 185 39.157 5.478 3.717 1.00 33.79 H new ATOM 0 HD1 HIS A 185 38.813 3.002 6.274 1.00 34.55 H new ATOM 0 HD2 HIS A 185 38.647 6.887 6.077 1.00 32.27 H new ATOM 0 HE1 HIS A 185 38.776 3.765 8.510 1.00 32.67 H new ATOM 1387 N THR A 186 36.865 2.141 3.462 1.00 33.45 N ATOM 1388 CA THR A 186 36.382 0.899 4.047 1.00 33.93 C ATOM 1389 C THR A 186 37.120 0.707 5.390 1.00 34.06 C ATOM 1390 O THR A 186 38.211 1.257 5.582 1.00 34.89 O ATOM 1391 CB THR A 186 36.617 -0.317 3.122 1.00 33.91 C ATOM 1392 OG1 THR A 186 38.002 -0.388 2.784 1.00 34.63 O ATOM 1393 CG2 THR A 186 35.768 -0.233 1.835 1.00 33.24 C ATOM 0 H THR A 186 37.304 2.055 2.728 1.00 33.45 H new ATOM 0 HA THR A 186 35.423 0.956 4.177 1.00 33.93 H new ATOM 0 HB THR A 186 36.346 -1.117 3.599 1.00 33.91 H new ATOM 0 HG1 THR A 186 38.321 -1.115 3.058 1.00 34.63 H new ATOM 0 HG21 THR A 186 35.941 -1.010 1.281 1.00 33.24 H new ATOM 0 HG22 THR A 186 34.827 -0.207 2.069 1.00 33.24 H new ATOM 0 HG23 THR A 186 36.001 0.571 1.345 1.00 33.24 H new ATOM 1394 N PRO A 187 36.522 -0.039 6.335 1.00 34.21 N ATOM 1395 CA PRO A 187 37.233 -0.339 7.593 1.00 33.98 C ATOM 1396 C PRO A 187 38.661 -0.890 7.396 1.00 33.77 C ATOM 1397 O PRO A 187 39.565 -0.554 8.160 1.00 33.55 O ATOM 1398 CB PRO A 187 36.336 -1.384 8.255 1.00 34.68 C ATOM 1399 CG PRO A 187 34.949 -1.082 7.723 1.00 34.39 C ATOM 1400 CD PRO A 187 35.153 -0.603 6.313 1.00 34.36 C ATOM 0 HA PRO A 187 37.371 0.465 8.118 1.00 33.98 H new ATOM 0 HB2 PRO A 187 36.614 -2.285 8.026 1.00 34.68 H new ATOM 0 HB3 PRO A 187 36.367 -1.315 9.222 1.00 34.68 H new ATOM 0 HG2 PRO A 187 34.387 -1.872 7.745 1.00 34.39 H new ATOM 0 HG3 PRO A 187 34.509 -0.406 8.261 1.00 34.39 H new ATOM 0 HD2 PRO A 187 35.076 -1.329 5.674 1.00 34.36 H new ATOM 0 HD3 PRO A 187 34.495 0.065 6.064 1.00 34.36 H new ATOM 1401 N ASP A 188 38.878 -1.704 6.367 1.00 33.51 N ATOM 1402 CA ASP A 188 40.212 -2.245 6.127 1.00 33.20 C ATOM 1403 C ASP A 188 41.166 -1.317 5.352 1.00 33.14 C ATOM 1404 O ASP A 188 42.314 -1.684 5.115 1.00 33.24 O ATOM 1405 CB ASP A 188 40.140 -3.638 5.499 1.00 33.10 C ATOM 1406 CG ASP A 188 39.687 -3.618 4.056 1.00 33.55 C ATOM 1407 OD1 ASP A 188 39.378 -2.545 3.476 1.00 33.20 O ATOM 1408 OD2 ASP A 188 39.665 -4.710 3.487 1.00 35.08 O ATOM 0 H ASP A 188 38.277 -1.952 5.804 1.00 33.51 H new ATOM 0 HA ASP A 188 40.613 -2.319 7.007 1.00 33.20 H new ATOM 0 HB2 ASP A 188 41.014 -4.056 5.552 1.00 33.10 H new ATOM 0 HB3 ASP A 188 39.531 -4.188 6.016 1.00 33.10 H new ATOM 1409 N TRP A 189 40.681 -0.124 4.986 1.00 33.59 N ATOM 1410 CA TRP A 189 41.433 0.894 4.227 1.00 33.96 C ATOM 1411 C TRP A 189 41.840 0.482 2.801 1.00 34.21 C ATOM 1412 O TRP A 189 42.658 1.166 2.165 1.00 34.52 O ATOM 1413 CB TRP A 189 42.679 1.366 4.999 1.00 34.18 C ATOM 1414 CG TRP A 189 42.403 2.316 6.133 1.00 33.96 C ATOM 1415 CD1 TRP A 189 42.091 1.990 7.424 1.00 33.83 C ATOM 1416 CD2 TRP A 189 42.432 3.745 6.074 1.00 32.97 C ATOM 1417 NE1 TRP A 189 41.910 3.134 8.166 1.00 34.02 N ATOM 1418 CE2 TRP A 189 42.117 4.223 7.361 1.00 33.04 C ATOM 1419 CE3 TRP A 189 42.667 4.670 5.047 1.00 34.80 C ATOM 1420 CZ2 TRP A 189 42.061 5.594 7.665 1.00 34.88 C ATOM 1421 CZ3 TRP A 189 42.604 6.033 5.350 1.00 34.39 C ATOM 1422 CH2 TRP A 189 42.308 6.477 6.650 1.00 34.57 C ATOM 0 H TRP A 189 39.880 0.125 5.177 1.00 33.59 H new ATOM 0 HA TRP A 189 40.801 1.623 4.127 1.00 33.96 H new ATOM 0 HB2 TRP A 189 43.138 0.588 5.351 1.00 34.18 H new ATOM 0 HB3 TRP A 189 43.286 1.795 4.376 1.00 34.18 H new ATOM 0 HD1 TRP A 189 42.013 1.123 7.752 1.00 33.83 H new ATOM 0 HE1 TRP A 189 41.701 3.161 9.000 1.00 34.02 H new ATOM 0 HE3 TRP A 189 42.860 4.383 4.184 1.00 34.80 H new ATOM 0 HZ2 TRP A 189 41.863 5.890 8.524 1.00 34.88 H new ATOM 0 HZ3 TRP A 189 42.761 6.658 4.679 1.00 34.39 H new ATOM 0 HH2 TRP A 189 42.279 7.390 6.824 1.00 34.57 H new ATOM 1423 N SER A 190 41.277 -0.618 2.304 1.00 34.19 N ATOM 1424 CA SER A 190 41.555 -1.089 0.935 1.00 34.34 C ATOM 1425 C SER A 190 40.921 -0.191 -0.124 1.00 34.60 C ATOM 1426 O SER A 190 41.326 -0.220 -1.285 1.00 34.72 O ATOM 1427 CB SER A 190 41.080 -2.537 0.748 1.00 34.39 C ATOM 1428 OG SER A 190 39.664 -2.618 0.814 1.00 34.09 O ATOM 0 H SER A 190 40.727 -1.113 2.742 1.00 34.19 H new ATOM 0 HA SER A 190 42.517 -1.052 0.816 1.00 34.34 H new ATOM 0 HB2 SER A 190 41.387 -2.874 -0.108 1.00 34.39 H new ATOM 0 HB3 SER A 190 41.472 -3.101 1.433 1.00 34.39 H new ATOM 0 HG SER A 190 39.418 -2.578 1.616 1.00 34.09 H new ATOM 1429 N GLU A 191 39.915 0.585 0.272 1.00 34.73 N ATOM 1430 CA GLU A 191 39.258 1.523 -0.633 1.00 35.42 C ATOM 1431 C GLU A 191 39.086 2.834 0.085 1.00 35.69 C ATOM 1432 O GLU A 191 38.491 2.874 1.173 1.00 36.45 O ATOM 1433 CB GLU A 191 37.883 1.021 -1.081 1.00 34.90 C ATOM 1434 CG GLU A 191 37.883 -0.356 -1.676 1.00 36.00 C ATOM 1435 CD GLU A 191 36.494 -0.834 -2.065 1.00 37.26 C ATOM 1436 OE1 GLU A 191 35.651 -0.013 -2.452 1.00 42.25 O ATOM 1437 OE2 GLU A 191 36.247 -2.046 -1.998 1.00 42.78 O ATOM 0 H GLU A 191 39.595 0.582 1.070 1.00 34.73 H new ATOM 0 HA GLU A 191 39.811 1.621 -1.424 1.00 35.42 H new ATOM 0 HB2 GLU A 191 37.284 1.031 -0.318 1.00 34.90 H new ATOM 0 HB3 GLU A 191 37.522 1.642 -1.733 1.00 34.90 H new ATOM 0 HG2 GLU A 191 38.454 -0.364 -2.460 1.00 36.00 H new ATOM 0 HG3 GLU A 191 38.267 -0.978 -1.039 1.00 36.00 H new ATOM 1438 N VAL A 192 39.614 3.895 -0.523 1.00 35.45 N ATOM 1439 CA VAL A 192 39.606 5.241 0.030 1.00 35.16 C ATOM 1440 C VAL A 192 38.934 6.211 -0.952 1.00 36.02 C ATOM 1441 O VAL A 192 39.173 6.136 -2.159 1.00 35.87 O ATOM 1442 CB VAL A 192 41.062 5.709 0.347 1.00 35.34 C ATOM 1443 CG1 VAL A 192 41.097 7.158 0.750 1.00 34.11 C ATOM 1444 CG2 VAL A 192 41.696 4.833 1.455 1.00 34.03 C ATOM 0 H VAL A 192 39.997 3.846 -1.291 1.00 35.45 H new ATOM 0 HA VAL A 192 39.100 5.234 0.857 1.00 35.16 H new ATOM 0 HB VAL A 192 41.582 5.607 -0.466 1.00 35.34 H new ATOM 0 HG11 VAL A 192 42.012 7.419 0.940 1.00 34.11 H new ATOM 0 HG12 VAL A 192 40.749 7.704 0.027 1.00 34.11 H new ATOM 0 HG13 VAL A 192 40.553 7.287 1.543 1.00 34.11 H new ATOM 0 HG21 VAL A 192 42.598 5.141 1.635 1.00 34.03 H new ATOM 0 HG22 VAL A 192 41.165 4.899 2.264 1.00 34.03 H new ATOM 0 HG23 VAL A 192 41.723 3.909 1.161 1.00 34.03 H new ATOM 1445 N LEU A 193 38.076 7.096 -0.432 1.00 36.62 N ATOM 1446 CA LEU A 193 37.460 8.171 -1.213 1.00 37.33 C ATOM 1447 C LEU A 193 37.993 9.501 -0.718 1.00 37.77 C ATOM 1448 O LEU A 193 38.138 9.718 0.485 1.00 38.26 O ATOM 1449 CB LEU A 193 35.933 8.165 -1.099 1.00 37.31 C ATOM 1450 CG LEU A 193 35.180 6.837 -1.271 1.00 38.78 C ATOM 1451 CD1 LEU A 193 33.678 7.059 -1.013 1.00 40.68 C ATOM 1452 CD2 LEU A 193 35.414 6.210 -2.651 1.00 39.68 C ATOM 0 H LEU A 193 37.834 7.087 0.393 1.00 36.62 H new ATOM 0 HA LEU A 193 37.685 8.032 -2.146 1.00 37.33 H new ATOM 0 HB2 LEU A 193 35.703 8.522 -0.227 1.00 37.31 H new ATOM 0 HB3 LEU A 193 35.587 8.786 -1.759 1.00 37.31 H new ATOM 0 HG LEU A 193 35.529 6.208 -0.620 1.00 38.78 H new ATOM 0 HD11 LEU A 193 33.203 6.220 -1.122 1.00 40.68 H new ATOM 0 HD12 LEU A 193 33.550 7.388 -0.109 1.00 40.68 H new ATOM 0 HD13 LEU A 193 33.334 7.709 -1.645 1.00 40.68 H new ATOM 0 HD21 LEU A 193 34.922 5.377 -2.716 1.00 39.68 H new ATOM 0 HD22 LEU A 193 35.108 6.820 -3.340 1.00 39.68 H new ATOM 0 HD23 LEU A 193 36.361 6.036 -2.771 1.00 39.68 H new ATOM 1453 N TRP A 194 38.293 10.390 -1.651 1.00 37.63 N ATOM 1454 CA TRP A 194 38.885 11.658 -1.311 1.00 38.29 C ATOM 1455 C TRP A 194 37.997 12.788 -1.790 1.00 38.92 C ATOM 1456 O TRP A 194 37.633 12.859 -2.964 1.00 38.32 O ATOM 1457 CB TRP A 194 40.294 11.789 -1.909 1.00 37.70 C ATOM 1458 CG TRP A 194 40.944 13.131 -1.650 1.00 37.34 C ATOM 1459 CD1 TRP A 194 40.928 14.231 -2.471 1.00 36.63 C ATOM 1460 CD2 TRP A 194 41.712 13.503 -0.496 1.00 36.28 C ATOM 1461 NE1 TRP A 194 41.633 15.263 -1.892 1.00 36.71 N ATOM 1462 CE2 TRP A 194 42.125 14.845 -0.683 1.00 36.76 C ATOM 1463 CE3 TRP A 194 42.087 12.834 0.680 1.00 37.18 C ATOM 1464 CZ2 TRP A 194 42.907 15.531 0.260 1.00 37.60 C ATOM 1465 CZ3 TRP A 194 42.852 13.524 1.631 1.00 37.42 C ATOM 1466 CH2 TRP A 194 43.265 14.854 1.403 1.00 37.83 C ATOM 0 H TRP A 194 38.158 10.272 -2.492 1.00 37.63 H new ATOM 0 HA TRP A 194 38.967 11.709 -0.346 1.00 38.29 H new ATOM 0 HB2 TRP A 194 40.858 11.090 -1.543 1.00 37.70 H new ATOM 0 HB3 TRP A 194 40.245 11.642 -2.867 1.00 37.70 H new ATOM 0 HD1 TRP A 194 40.503 14.273 -3.297 1.00 36.63 H new ATOM 0 HE1 TRP A 194 41.746 16.044 -2.234 1.00 36.71 H new ATOM 0 HE3 TRP A 194 41.833 11.951 0.825 1.00 37.18 H new ATOM 0 HZ2 TRP A 194 43.173 16.411 0.117 1.00 37.60 H new ATOM 0 HZ3 TRP A 194 43.091 13.099 2.423 1.00 37.42 H new ATOM 0 HH2 TRP A 194 43.791 15.282 2.039 1.00 37.83 H new ATOM 1467 N ASN A 195 37.664 13.670 -0.856 1.00 39.96 N ATOM 1468 CA ASN A 195 36.919 14.882 -1.143 1.00 41.54 C ATOM 1469 C ASN A 195 37.662 16.049 -0.494 1.00 41.55 C ATOM 1470 O ASN A 195 37.960 15.987 0.695 1.00 41.34 O ATOM 1471 CB ASN A 195 35.511 14.762 -0.559 1.00 41.83 C ATOM 1472 CG ASN A 195 34.723 13.627 -1.172 1.00 44.94 C ATOM 1473 OD1 ASN A 195 34.195 13.764 -2.272 1.00 46.86 O ATOM 1474 ND2 ASN A 195 34.641 12.491 -0.466 1.00 47.78 N ATOM 0 H ASN A 195 37.869 13.578 -0.026 1.00 39.96 H new ATOM 0 HA ASN A 195 36.844 15.025 -2.100 1.00 41.54 H new ATOM 0 HB2 ASN A 195 35.572 14.628 0.400 1.00 41.83 H new ATOM 0 HB3 ASN A 195 35.034 15.595 -0.699 1.00 41.83 H new ATOM 0 HD21 ASN A 195 34.205 11.820 -0.780 1.00 47.78 H new ATOM 0 HD22 ASN A 195 35.025 12.433 0.302 1.00 47.78 H new ATOM 1475 N SER A 196 37.997 17.081 -1.274 1.00 41.85 N ATOM 1476 CA SER A 196 38.669 18.276 -0.730 1.00 42.43 C ATOM 1477 C SER A 196 38.303 19.584 -1.455 1.00 42.98 C ATOM 1478 O SER A 196 37.882 19.564 -2.614 1.00 42.80 O ATOM 1479 CB SER A 196 40.193 18.094 -0.699 1.00 42.21 C ATOM 1480 OG SER A 196 40.758 18.055 -2.007 1.00 42.59 O ATOM 0 H SER A 196 37.846 17.112 -2.120 1.00 41.85 H new ATOM 0 HA SER A 196 38.337 18.364 0.177 1.00 42.43 H new ATOM 0 HB2 SER A 196 40.594 18.821 -0.197 1.00 42.21 H new ATOM 0 HB3 SER A 196 40.409 17.273 -0.230 1.00 42.21 H new ATOM 0 HG SER A 196 41.472 18.497 -2.017 1.00 42.59 H new ATOM 1481 N THR A 197 38.463 20.709 -0.757 1.00 43.27 N ATOM 1482 CA THR A 197 38.366 22.024 -1.377 1.00 43.88 C ATOM 1483 C THR A 197 39.753 22.649 -1.469 1.00 44.19 C ATOM 1484 O THR A 197 40.228 23.284 -0.525 1.00 44.35 O ATOM 1485 CB THR A 197 37.417 22.959 -0.611 1.00 43.85 C ATOM 1486 OG1 THR A 197 36.195 22.273 -0.313 1.00 44.69 O ATOM 1487 CG2 THR A 197 37.098 24.200 -1.448 1.00 44.00 C ATOM 0 H THR A 197 38.630 20.728 0.086 1.00 43.27 H new ATOM 0 HA THR A 197 37.996 21.905 -2.266 1.00 43.88 H new ATOM 0 HB THR A 197 37.853 23.231 0.212 1.00 43.85 H new ATOM 0 HG1 THR A 197 35.722 22.749 0.193 1.00 44.69 H new ATOM 0 HG21 THR A 197 36.499 24.780 -0.952 1.00 44.00 H new ATOM 0 HG22 THR A 197 37.919 24.677 -1.646 1.00 44.00 H new ATOM 0 HG23 THR A 197 36.673 23.931 -2.278 1.00 44.00 H new ATOM 1488 N TRP A 198 40.397 22.464 -2.616 1.00 44.62 N ATOM 1489 CA TRP A 198 41.772 22.907 -2.817 1.00 45.27 C ATOM 1490 C TRP A 198 41.827 24.424 -2.968 1.00 46.02 C ATOM 1491 O TRP A 198 41.083 25.000 -3.764 1.00 46.46 O ATOM 1492 CB TRP A 198 42.366 22.212 -4.047 1.00 45.06 C ATOM 1493 CG TRP A 198 43.839 22.415 -4.243 1.00 44.76 C ATOM 1494 CD1 TRP A 198 44.850 21.629 -3.759 1.00 44.74 C ATOM 1495 CD2 TRP A 198 44.470 23.468 -4.985 1.00 45.53 C ATOM 1496 NE1 TRP A 198 46.069 22.128 -4.153 1.00 45.31 N ATOM 1497 CE2 TRP A 198 45.866 23.258 -4.904 1.00 45.45 C ATOM 1498 CE3 TRP A 198 43.990 24.567 -5.716 1.00 45.02 C ATOM 1499 CZ2 TRP A 198 46.790 24.110 -5.525 1.00 45.42 C ATOM 1500 CZ3 TRP A 198 44.907 25.414 -6.329 1.00 45.09 C ATOM 1501 CH2 TRP A 198 46.293 25.179 -6.229 1.00 45.09 C ATOM 0 H TRP A 198 40.049 22.078 -3.301 1.00 44.62 H new ATOM 0 HA TRP A 198 42.300 22.666 -2.040 1.00 45.27 H new ATOM 0 HB2 TRP A 198 42.191 21.260 -3.980 1.00 45.06 H new ATOM 0 HB3 TRP A 198 41.902 22.531 -4.837 1.00 45.06 H new ATOM 0 HD1 TRP A 198 44.730 20.868 -3.239 1.00 44.74 H new ATOM 0 HE1 TRP A 198 46.835 21.787 -3.960 1.00 45.31 H new ATOM 0 HE3 TRP A 198 43.076 24.725 -5.789 1.00 45.02 H new ATOM 0 HZ2 TRP A 198 47.705 23.957 -5.462 1.00 45.42 H new ATOM 0 HZ3 TRP A 198 44.601 26.147 -6.813 1.00 45.09 H new ATOM 0 HH2 TRP A 198 46.884 25.761 -6.649 1.00 45.09 H new ATOM 1502 N LYS A 199 42.699 25.063 -2.195 1.00 46.64 N ATOM 1503 CA LYS A 199 42.925 26.506 -2.302 1.00 47.49 C ATOM 1504 C LYS A 199 44.414 26.790 -2.381 1.00 47.62 C ATOM 1505 O LYS A 199 45.169 26.427 -1.476 1.00 47.61 O ATOM 1506 CB LYS A 199 42.321 27.264 -1.107 1.00 47.63 C ATOM 1507 CG LYS A 199 40.806 27.155 -0.957 1.00 48.86 C ATOM 1508 CD LYS A 199 40.074 28.109 -1.897 1.00 51.17 C ATOM 1509 CE LYS A 199 38.572 28.060 -1.667 1.00 52.01 C ATOM 1510 NZ LYS A 199 37.848 28.984 -2.588 1.00 53.57 N ATOM 0 H LYS A 199 43.177 24.676 -1.594 1.00 46.64 H new ATOM 0 HA LYS A 199 42.486 26.815 -3.110 1.00 47.49 H new ATOM 0 HB2 LYS A 199 42.735 26.936 -0.293 1.00 47.63 H new ATOM 0 HB3 LYS A 199 42.556 28.202 -1.187 1.00 47.63 H new ATOM 0 HG2 LYS A 199 40.528 26.244 -1.139 1.00 48.86 H new ATOM 0 HG3 LYS A 199 40.557 27.350 -0.040 1.00 48.86 H new ATOM 0 HD2 LYS A 199 40.396 29.014 -1.759 1.00 51.17 H new ATOM 0 HD3 LYS A 199 40.271 27.875 -2.818 1.00 51.17 H new ATOM 0 HE2 LYS A 199 38.253 27.154 -1.799 1.00 52.01 H new ATOM 0 HE3 LYS A 199 38.376 28.299 -0.747 1.00 52.01 H new ATOM 0 HZ1 LYS A 199 36.973 28.935 -2.431 1.00 53.57 H new ATOM 0 HZ2 LYS A 199 38.127 29.818 -2.452 1.00 53.57 H new ATOM 0 HZ3 LYS A 199 38.011 28.751 -3.431 1.00 53.57 H new ATOM 1511 N GLY A 200 44.834 27.431 -3.468 1.00 48.00 N ATOM 1512 CA GLY A 200 46.202 27.925 -3.592 1.00 48.25 C ATOM 1513 C GLY A 200 46.494 28.955 -2.515 1.00 48.49 C ATOM 1514 O GLY A 200 45.593 29.669 -2.064 1.00 48.27 O ATOM 0 H GLY A 200 44.337 27.591 -4.151 1.00 48.00 H new ATOM 0 HA2 GLY A 200 46.826 27.186 -3.519 1.00 48.25 H new ATOM 0 HA3 GLY A 200 46.331 28.320 -4.469 1.00 48.25 H new ATOM 1515 N TYR A 201 47.753 29.028 -2.095 1.00 48.97 N ATOM 1516 CA TYR A 201 48.179 30.029 -1.111 1.00 49.46 C ATOM 1517 C TYR A 201 47.930 31.474 -1.569 1.00 50.07 C ATOM 1518 O TYR A 201 47.685 32.358 -0.742 1.00 50.02 O ATOM 1519 CB TYR A 201 49.647 29.818 -0.734 1.00 49.21 C ATOM 1520 CG TYR A 201 50.114 30.604 0.478 1.00 49.04 C ATOM 1521 CD1 TYR A 201 49.342 30.664 1.639 1.00 48.80 C ATOM 1522 CD2 TYR A 201 51.340 31.268 0.467 1.00 49.21 C ATOM 1523 CE1 TYR A 201 49.767 31.378 2.746 1.00 49.02 C ATOM 1524 CE2 TYR A 201 51.784 31.983 1.574 1.00 49.02 C ATOM 1525 CZ TYR A 201 50.993 32.034 2.711 1.00 49.32 C ATOM 1526 OH TYR A 201 51.424 32.739 3.810 1.00 48.34 O ATOM 0 H TYR A 201 48.381 28.507 -2.366 1.00 48.97 H new ATOM 0 HA TYR A 201 47.627 29.898 -0.324 1.00 49.46 H new ATOM 0 HB2 TYR A 201 49.792 28.874 -0.566 1.00 49.21 H new ATOM 0 HB3 TYR A 201 50.200 30.060 -1.493 1.00 49.21 H new ATOM 0 HD1 TYR A 201 48.527 30.216 1.669 1.00 48.80 H new ATOM 0 HD2 TYR A 201 51.871 31.232 -0.296 1.00 49.21 H new ATOM 0 HE1 TYR A 201 49.236 31.419 3.508 1.00 49.02 H new ATOM 0 HE2 TYR A 201 52.603 32.422 1.552 1.00 49.02 H new ATOM 0 HH TYR A 201 50.924 32.572 4.464 1.00 48.34 H new ATOM 1527 N THR A 202 47.972 31.707 -2.881 1.00 50.73 N ATOM 1528 CA THR A 202 47.738 33.046 -3.439 1.00 51.47 C ATOM 1529 C THR A 202 46.246 33.408 -3.554 1.00 51.93 C ATOM 1530 O THR A 202 45.908 34.556 -3.854 1.00 52.17 O ATOM 1531 CB THR A 202 48.425 33.240 -4.825 1.00 51.42 C ATOM 1532 OG1 THR A 202 47.813 32.380 -5.793 1.00 51.71 O ATOM 1533 CG2 THR A 202 49.927 32.943 -4.751 1.00 51.27 C ATOM 0 H THR A 202 48.135 31.102 -3.470 1.00 50.73 H new ATOM 0 HA THR A 202 48.143 33.651 -2.798 1.00 51.47 H new ATOM 0 HB THR A 202 48.312 34.167 -5.089 1.00 51.42 H new ATOM 0 HG1 THR A 202 48.184 32.488 -6.539 1.00 51.71 H new ATOM 0 HG21 THR A 202 50.326 33.072 -5.626 1.00 51.27 H new ATOM 0 HG22 THR A 202 50.345 33.543 -4.114 1.00 51.27 H new ATOM 0 HG23 THR A 202 50.062 32.026 -4.467 1.00 51.27 H new ATOM 1534 N MET A 203 45.368 32.435 -3.313 1.00 52.48 N ATOM 1535 CA MET A 203 43.916 32.618 -3.457 1.00 53.16 C ATOM 1536 C MET A 203 43.231 32.580 -2.091 1.00 52.96 C ATOM 1537 O MET A 203 42.078 32.164 -1.963 1.00 53.26 O ATOM 1538 CB MET A 203 43.316 31.527 -4.357 1.00 53.05 C ATOM 1539 CG MET A 203 44.261 30.960 -5.405 1.00 53.29 C ATOM 1540 SD MET A 203 43.547 29.666 -6.441 1.00 54.58 S ATOM 1541 CE MET A 203 42.598 28.682 -5.285 1.00 52.07 C ATOM 0 H MET A 203 45.595 31.645 -3.060 1.00 52.48 H new ATOM 0 HA MET A 203 43.766 33.485 -3.866 1.00 53.16 H new ATOM 0 HB2 MET A 203 43.005 30.800 -3.796 1.00 53.05 H new ATOM 0 HB3 MET A 203 42.538 31.891 -4.807 1.00 53.05 H new ATOM 0 HG2 MET A 203 44.564 31.684 -5.975 1.00 53.29 H new ATOM 0 HG3 MET A 203 45.045 30.604 -4.958 1.00 53.29 H new ATOM 0 HE1 MET A 203 42.688 27.743 -5.509 1.00 52.07 H new ATOM 0 HE2 MET A 203 42.927 28.832 -4.385 1.00 52.07 H new ATOM 0 HE3 MET A 203 41.663 28.937 -5.334 1.00 52.07 H new ATOM 1542 N VAL A 204 43.959 33.027 -1.077 1.00 52.88 N ATOM 1543 CA VAL A 204 43.559 32.895 0.316 1.00 52.73 C ATOM 1544 C VAL A 204 43.828 34.223 1.058 1.00 52.63 C ATOM 1545 O VAL A 204 44.773 34.941 0.719 1.00 52.42 O ATOM 1546 CB VAL A 204 44.315 31.681 0.947 1.00 52.78 C ATOM 1547 CG1 VAL A 204 44.874 31.984 2.323 1.00 52.33 C ATOM 1548 CG2 VAL A 204 43.435 30.417 0.936 1.00 53.16 C ATOM 0 H VAL A 204 44.715 33.424 -1.182 1.00 52.88 H new ATOM 0 HA VAL A 204 42.608 32.718 0.391 1.00 52.73 H new ATOM 0 HB VAL A 204 45.088 31.506 0.387 1.00 52.78 H new ATOM 0 HG11 VAL A 204 45.331 31.200 2.667 1.00 52.33 H new ATOM 0 HG12 VAL A 204 45.500 32.722 2.263 1.00 52.33 H new ATOM 0 HG13 VAL A 204 44.149 32.223 2.921 1.00 52.33 H new ATOM 0 HG21 VAL A 204 43.924 29.679 1.331 1.00 53.16 H new ATOM 0 HG22 VAL A 204 42.627 30.580 1.448 1.00 53.16 H new ATOM 0 HG23 VAL A 204 43.199 30.195 0.022 1.00 53.16 H new ATOM 1549 N LYS A 205 42.987 34.553 2.040 1.00 52.50 N ATOM 1550 CA LYS A 205 43.190 35.750 2.868 1.00 52.77 C ATOM 1551 C LYS A 205 44.223 35.487 3.960 1.00 52.30 C ATOM 1552 O LYS A 205 43.945 34.773 4.928 1.00 52.76 O ATOM 1553 CB LYS A 205 41.877 36.214 3.512 1.00 52.63 C ATOM 1554 CG LYS A 205 40.832 36.743 2.547 1.00 53.23 C ATOM 1555 CD LYS A 205 39.604 37.264 3.296 1.00 53.75 C ATOM 1556 CE LYS A 205 38.771 36.123 3.885 1.00 55.35 C ATOM 1557 NZ LYS A 205 37.650 36.629 4.736 1.00 56.42 N ATOM 0 H LYS A 205 42.288 34.095 2.245 1.00 52.50 H new ATOM 0 HA LYS A 205 43.515 36.451 2.282 1.00 52.77 H new ATOM 0 HB2 LYS A 205 41.495 35.470 4.004 1.00 52.63 H new ATOM 0 HB3 LYS A 205 42.079 36.908 4.159 1.00 52.63 H new ATOM 0 HG2 LYS A 205 41.214 37.456 2.011 1.00 53.23 H new ATOM 0 HG3 LYS A 205 40.567 36.039 1.935 1.00 53.23 H new ATOM 0 HD2 LYS A 205 39.888 37.858 4.008 1.00 53.75 H new ATOM 0 HD3 LYS A 205 39.054 37.787 2.692 1.00 53.75 H new ATOM 0 HE2 LYS A 205 38.411 35.582 3.165 1.00 55.35 H new ATOM 0 HE3 LYS A 205 39.343 35.546 4.415 1.00 55.35 H new ATOM 0 HZ1 LYS A 205 37.189 35.940 5.060 1.00 56.42 H new ATOM 0 HZ2 LYS A 205 37.981 37.108 5.409 1.00 56.42 H new ATOM 0 HZ3 LYS A 205 37.112 37.141 4.245 1.00 56.42 H new ATOM 1558 N THR A 206 45.410 36.069 3.805 1.00 51.74 N ATOM 1559 CA THR A 206 46.499 35.881 4.765 1.00 51.05 C ATOM 1560 C THR A 206 46.321 36.768 5.993 1.00 51.05 C ATOM 1561 O THR A 206 45.752 37.865 5.902 1.00 51.17 O ATOM 1562 CB THR A 206 47.892 36.107 4.126 1.00 51.05 C ATOM 1563 OG1 THR A 206 47.904 37.348 3.409 1.00 50.71 O ATOM 1564 CG2 THR A 206 48.232 34.968 3.165 1.00 50.23 C ATOM 0 H THR A 206 45.608 36.582 3.144 1.00 51.74 H new ATOM 0 HA THR A 206 46.457 34.955 5.050 1.00 51.05 H new ATOM 0 HB THR A 206 48.553 36.132 4.835 1.00 51.05 H new ATOM 0 HG1 THR A 206 48.662 37.466 3.066 1.00 50.71 H new ATOM 0 HG21 THR A 206 49.106 35.124 2.774 1.00 50.23 H new ATOM 0 HG22 THR A 206 48.241 34.128 3.649 1.00 50.23 H new ATOM 0 HG23 THR A 206 47.566 34.928 2.461 1.00 50.23 H new ATOM 1565 N ASP A 207 46.806 36.281 7.136 1.00 50.74 N ATOM 1566 CA ASP A 207 46.630 36.930 8.447 1.00 50.81 C ATOM 1567 C ASP A 207 45.164 37.210 8.799 1.00 50.54 C ATOM 1568 O ASP A 207 44.862 38.147 9.541 1.00 50.42 O ATOM 1569 CB ASP A 207 47.469 38.211 8.554 1.00 50.85 C ATOM 1570 CG ASP A 207 48.953 37.942 8.449 1.00 51.77 C ATOM 1571 OD1 ASP A 207 49.433 36.930 9.016 1.00 52.05 O ATOM 1572 OD2 ASP A 207 49.642 38.753 7.798 1.00 53.26 O ATOM 0 H ASP A 207 47.256 35.549 7.176 1.00 50.74 H new ATOM 0 HA ASP A 207 46.952 36.291 9.102 1.00 50.81 H new ATOM 0 HB2 ASP A 207 47.205 38.827 7.853 1.00 50.85 H new ATOM 0 HB3 ASP A 207 47.281 38.647 9.400 1.00 50.85 H new ATOM 1573 N ASP A 208 44.268 36.378 8.274 1.00 50.13 N ATOM 1574 CA ASP A 208 42.838 36.538 8.478 1.00 49.73 C ATOM 1575 C ASP A 208 42.139 35.181 8.471 1.00 49.31 C ATOM 1576 O ASP A 208 42.703 34.183 8.008 1.00 49.24 O ATOM 1577 CB ASP A 208 42.258 37.444 7.388 1.00 50.00 C ATOM 1578 CG ASP A 208 40.931 38.085 7.788 1.00 50.76 C ATOM 1579 OD1 ASP A 208 40.557 38.057 8.983 1.00 50.98 O ATOM 1580 OD2 ASP A 208 40.258 38.630 6.892 1.00 52.53 O ATOM 0 H ASP A 208 44.478 35.701 7.787 1.00 50.13 H new ATOM 0 HA ASP A 208 42.689 36.950 9.344 1.00 49.73 H new ATOM 0 HB2 ASP A 208 42.899 38.142 7.180 1.00 50.00 H new ATOM 0 HB3 ASP A 208 42.130 36.926 6.578 1.00 50.00 H new ATOM 1581 N TRP A 209 40.923 35.149 9.011 1.00 48.75 N ATOM 1582 CA TRP A 209 40.070 33.969 8.953 1.00 48.24 C ATOM 1583 C TRP A 209 39.559 33.735 7.537 1.00 48.11 C ATOM 1584 O TRP A 209 39.128 34.674 6.856 1.00 47.82 O ATOM 1585 CB TRP A 209 38.890 34.103 9.919 1.00 47.91 C ATOM 1586 CG TRP A 209 39.296 33.956 11.345 1.00 48.05 C ATOM 1587 CD1 TRP A 209 39.437 34.956 12.269 1.00 47.49 C ATOM 1588 CD2 TRP A 209 39.630 32.733 12.019 1.00 47.63 C ATOM 1589 NE1 TRP A 209 39.835 34.430 13.476 1.00 47.99 N ATOM 1590 CE2 TRP A 209 39.965 33.070 13.352 1.00 47.47 C ATOM 1591 CE3 TRP A 209 39.683 31.386 11.624 1.00 46.82 C ATOM 1592 CZ2 TRP A 209 40.348 32.108 14.297 1.00 47.34 C ATOM 1593 CZ3 TRP A 209 40.058 30.429 12.564 1.00 47.30 C ATOM 1594 CH2 TRP A 209 40.386 30.795 13.886 1.00 47.82 C ATOM 0 H TRP A 209 40.569 35.816 9.423 1.00 48.75 H new ATOM 0 HA TRP A 209 40.605 33.205 9.219 1.00 48.24 H new ATOM 0 HB2 TRP A 209 38.471 34.969 9.793 1.00 47.91 H new ATOM 0 HB3 TRP A 209 38.224 33.431 9.705 1.00 47.91 H new ATOM 0 HD1 TRP A 209 39.286 35.859 12.105 1.00 47.49 H new ATOM 0 HE1 TRP A 209 39.979 34.881 14.194 1.00 47.99 H new ATOM 0 HE3 TRP A 209 39.472 31.138 10.753 1.00 46.82 H new ATOM 0 HZ2 TRP A 209 40.568 32.348 15.168 1.00 47.34 H new ATOM 0 HZ3 TRP A 209 40.093 29.533 12.316 1.00 47.30 H new ATOM 0 HH2 TRP A 209 40.633 30.135 14.493 1.00 47.82 H new ATOM 1595 N ASN A 210 39.633 32.480 7.103 1.00 47.77 N ATOM 1596 CA ASN A 210 39.096 32.047 5.820 1.00 47.96 C ATOM 1597 C ASN A 210 37.993 31.022 6.051 1.00 47.98 C ATOM 1598 O ASN A 210 38.175 30.051 6.791 1.00 48.03 O ATOM 1599 CB ASN A 210 40.188 31.421 4.938 1.00 47.71 C ATOM 1600 CG ASN A 210 41.295 32.397 4.580 1.00 47.75 C ATOM 1601 OD1 ASN A 210 41.347 32.908 3.458 1.00 47.69 O ATOM 1602 ND2 ASN A 210 42.192 32.653 5.525 1.00 46.80 N ATOM 0 H ASN A 210 40.003 31.848 7.554 1.00 47.77 H new ATOM 0 HA ASN A 210 38.742 32.826 5.363 1.00 47.96 H new ATOM 0 HB2 ASN A 210 40.572 30.659 5.400 1.00 47.71 H new ATOM 0 HB3 ASN A 210 39.784 31.084 4.123 1.00 47.71 H new ATOM 0 HD21 ASN A 210 42.841 33.194 5.366 1.00 46.80 H new ATOM 0 HD22 ASN A 210 42.123 32.278 6.296 1.00 46.80 H new ATOM 1603 N GLU A 211 36.849 31.244 5.423 1.00 48.10 N ATOM 1604 CA GLU A 211 35.740 30.314 5.512 1.00 48.15 C ATOM 1605 C GLU A 211 35.728 29.460 4.256 1.00 47.74 C ATOM 1606 O GLU A 211 35.550 29.978 3.152 1.00 47.73 O ATOM 1607 CB GLU A 211 34.427 31.077 5.666 1.00 48.82 C ATOM 1608 CG GLU A 211 33.345 30.301 6.373 1.00 50.26 C ATOM 1609 CD GLU A 211 32.182 31.176 6.774 1.00 52.94 C ATOM 1610 OE1 GLU A 211 31.289 31.398 5.925 1.00 54.62 O ATOM 1611 OE2 GLU A 211 32.155 31.638 7.936 1.00 53.13 O ATOM 0 H GLU A 211 36.695 31.935 4.935 1.00 48.10 H new ATOM 0 HA GLU A 211 35.842 29.743 6.289 1.00 48.15 H new ATOM 0 HB2 GLU A 211 34.596 31.897 6.155 1.00 48.82 H new ATOM 0 HB3 GLU A 211 34.107 31.332 4.787 1.00 48.82 H new ATOM 0 HG2 GLU A 211 33.028 29.591 5.794 1.00 50.26 H new ATOM 0 HG3 GLU A 211 33.717 29.878 7.163 1.00 50.26 H new ATOM 1612 N ILE A 212 35.950 28.155 4.426 1.00 47.21 N ATOM 1613 CA ILE A 212 35.992 27.220 3.302 1.00 46.48 C ATOM 1614 C ILE A 212 34.977 26.084 3.483 1.00 46.08 C ATOM 1615 O ILE A 212 34.957 25.411 4.507 1.00 45.62 O ATOM 1616 CB ILE A 212 37.420 26.645 3.075 1.00 46.58 C ATOM 1617 CG1 ILE A 212 38.473 27.770 3.059 1.00 46.22 C ATOM 1618 CG2 ILE A 212 37.460 25.812 1.787 1.00 45.89 C ATOM 1619 CD1 ILE A 212 39.923 27.287 3.125 1.00 46.44 C ATOM 0 H ILE A 212 36.080 27.789 5.193 1.00 47.21 H new ATOM 0 HA ILE A 212 35.749 27.724 2.510 1.00 46.48 H new ATOM 0 HB ILE A 212 37.639 26.059 3.816 1.00 46.58 H new ATOM 0 HG12 ILE A 212 38.356 28.295 2.252 1.00 46.22 H new ATOM 0 HG13 ILE A 212 38.307 28.362 3.809 1.00 46.22 H new ATOM 0 HG21 ILE A 212 38.354 25.460 1.657 1.00 45.89 H new ATOM 0 HG22 ILE A 212 36.830 25.077 1.857 1.00 45.89 H new ATOM 0 HG23 ILE A 212 37.221 26.372 1.032 1.00 45.89 H new ATOM 0 HD11 ILE A 212 40.520 28.051 3.110 1.00 46.44 H new ATOM 0 HD12 ILE A 212 40.060 26.786 3.944 1.00 46.44 H new ATOM 0 HD13 ILE A 212 40.109 26.717 2.362 1.00 46.44 H new ATOM 1620 N THR A 213 34.123 25.902 2.482 1.00 45.88 N ATOM 1621 CA THR A 213 33.105 24.855 2.505 1.00 45.63 C ATOM 1622 C THR A 213 33.558 23.620 1.722 1.00 45.19 C ATOM 1623 O THR A 213 34.387 23.703 0.807 1.00 45.25 O ATOM 1624 CB THR A 213 31.758 25.340 1.928 1.00 45.45 C ATOM 1625 OG1 THR A 213 31.964 25.800 0.589 1.00 46.31 O ATOM 1626 CG2 THR A 213 31.183 26.469 2.769 1.00 45.48 C ATOM 0 H THR A 213 34.117 26.382 1.769 1.00 45.88 H new ATOM 0 HA THR A 213 32.980 24.623 3.438 1.00 45.63 H new ATOM 0 HB THR A 213 31.129 24.602 1.937 1.00 45.45 H new ATOM 0 HG1 THR A 213 31.234 26.064 0.268 1.00 46.31 H new ATOM 0 HG21 THR A 213 30.338 26.758 2.389 1.00 45.48 H new ATOM 0 HG22 THR A 213 31.039 26.156 3.676 1.00 45.48 H new ATOM 0 HG23 THR A 213 31.804 27.214 2.779 1.00 45.48 H new ATOM 1627 N LEU A 214 32.996 22.477 2.095 1.00 44.63 N ATOM 1628 CA LEU A 214 33.301 21.207 1.466 1.00 44.15 C ATOM 1629 C LEU A 214 32.079 20.330 1.619 1.00 43.97 C ATOM 1630 O LEU A 214 31.507 20.259 2.705 1.00 43.85 O ATOM 1631 CB LEU A 214 34.513 20.549 2.147 1.00 44.25 C ATOM 1632 CG LEU A 214 34.799 19.068 1.860 1.00 43.68 C ATOM 1633 CD1 LEU A 214 35.241 18.857 0.426 1.00 43.37 C ATOM 1634 CD2 LEU A 214 35.853 18.561 2.838 1.00 43.58 C ATOM 0 H LEU A 214 32.419 22.420 2.730 1.00 44.63 H new ATOM 0 HA LEU A 214 33.522 21.333 0.530 1.00 44.15 H new ATOM 0 HB2 LEU A 214 35.302 21.055 1.899 1.00 44.25 H new ATOM 0 HB3 LEU A 214 34.403 20.648 3.106 1.00 44.25 H new ATOM 0 HG LEU A 214 33.980 18.562 1.981 1.00 43.68 H new ATOM 0 HD11 LEU A 214 35.414 17.914 0.276 1.00 43.37 H new ATOM 0 HD12 LEU A 214 34.542 19.157 -0.176 1.00 43.37 H new ATOM 0 HD13 LEU A 214 36.051 19.364 0.259 1.00 43.37 H new ATOM 0 HD21 LEU A 214 36.037 17.625 2.660 1.00 43.58 H new ATOM 0 HD22 LEU A 214 36.668 19.076 2.731 1.00 43.58 H new ATOM 0 HD23 LEU A 214 35.526 18.659 3.746 1.00 43.58 H new ATOM 1635 N THR A 215 31.675 19.680 0.532 1.00 43.93 N ATOM 1636 CA THR A 215 30.533 18.770 0.556 1.00 43.96 C ATOM 1637 C THR A 215 30.985 17.316 0.412 1.00 43.89 C ATOM 1638 O THR A 215 31.792 16.984 -0.462 1.00 44.03 O ATOM 1639 CB THR A 215 29.501 19.136 -0.542 1.00 44.06 C ATOM 1640 OG1 THR A 215 29.156 20.525 -0.424 1.00 44.18 O ATOM 1641 CG2 THR A 215 28.221 18.287 -0.423 1.00 43.90 C ATOM 0 H THR A 215 32.053 19.753 -0.237 1.00 43.93 H new ATOM 0 HA THR A 215 30.099 18.866 1.418 1.00 43.96 H new ATOM 0 HB THR A 215 29.905 18.957 -1.406 1.00 44.06 H new ATOM 0 HG1 THR A 215 28.553 20.616 0.154 1.00 44.18 H new ATOM 0 HG21 THR A 215 27.598 18.540 -1.122 1.00 43.90 H new ATOM 0 HG22 THR A 215 28.446 17.348 -0.515 1.00 43.90 H new ATOM 0 HG23 THR A 215 27.812 18.438 0.444 1.00 43.90 H new ATOM 1642 N LEU A 216 30.484 16.466 1.306 1.00 43.86 N ATOM 1643 CA LEU A 216 30.567 15.024 1.133 1.00 43.26 C ATOM 1644 C LEU A 216 29.485 14.610 0.117 1.00 43.36 C ATOM 1645 O LEU A 216 28.301 14.826 0.363 1.00 43.65 O ATOM 1646 CB LEU A 216 30.373 14.298 2.472 1.00 42.93 C ATOM 1647 CG LEU A 216 30.489 12.762 2.462 1.00 42.62 C ATOM 1648 CD1 LEU A 216 31.917 12.308 2.229 1.00 40.39 C ATOM 1649 CD2 LEU A 216 29.962 12.151 3.738 1.00 42.61 C ATOM 0 H LEU A 216 30.087 16.712 2.028 1.00 43.86 H new ATOM 0 HA LEU A 216 31.445 14.776 0.804 1.00 43.26 H new ATOM 0 HB2 LEU A 216 31.026 14.645 3.100 1.00 42.93 H new ATOM 0 HB3 LEU A 216 29.497 14.531 2.816 1.00 42.93 H new ATOM 0 HG LEU A 216 29.942 12.452 1.724 1.00 42.62 H new ATOM 0 HD11 LEU A 216 31.953 11.339 2.229 1.00 40.39 H new ATOM 0 HD12 LEU A 216 32.228 12.643 1.373 1.00 40.39 H new ATOM 0 HD13 LEU A 216 32.485 12.652 2.936 1.00 40.39 H new ATOM 0 HD21 LEU A 216 30.051 11.186 3.696 1.00 42.61 H new ATOM 0 HD22 LEU A 216 30.469 12.489 4.493 1.00 42.61 H new ATOM 0 HD23 LEU A 216 29.027 12.385 3.847 1.00 42.61 H new ATOM 1650 N PRO A 217 29.888 14.034 -1.036 1.00 43.25 N ATOM 1651 CA PRO A 217 28.925 13.632 -2.072 1.00 43.45 C ATOM 1652 C PRO A 217 27.833 12.724 -1.510 1.00 44.00 C ATOM 1653 O PRO A 217 28.112 11.875 -0.654 1.00 43.83 O ATOM 1654 CB PRO A 217 29.785 12.851 -3.071 1.00 43.32 C ATOM 1655 CG PRO A 217 31.149 13.414 -2.900 1.00 43.08 C ATOM 1656 CD PRO A 217 31.271 13.727 -1.432 1.00 42.84 C ATOM 0 HA PRO A 217 28.465 14.394 -2.458 1.00 43.45 H new ATOM 0 HB2 PRO A 217 29.769 11.899 -2.884 1.00 43.32 H new ATOM 0 HB3 PRO A 217 29.466 12.967 -3.980 1.00 43.32 H new ATOM 0 HG2 PRO A 217 31.827 12.779 -3.180 1.00 43.08 H new ATOM 0 HG3 PRO A 217 31.268 14.212 -3.439 1.00 43.08 H new ATOM 0 HD2 PRO A 217 31.627 12.975 -0.934 1.00 42.84 H new ATOM 0 HD3 PRO A 217 31.864 14.478 -1.274 1.00 42.84 H new ATOM 1657 N GLU A 218 26.606 12.908 -1.996 1.00 44.46 N ATOM 1658 CA GLU A 218 25.435 12.184 -1.489 1.00 45.16 C ATOM 1659 C GLU A 218 25.461 10.670 -1.739 1.00 44.85 C ATOM 1660 O GLU A 218 24.671 9.934 -1.140 1.00 44.99 O ATOM 1661 CB GLU A 218 24.137 12.805 -2.038 1.00 45.58 C ATOM 1662 CG GLU A 218 22.947 12.698 -1.067 1.00 48.42 C ATOM 1663 CD GLU A 218 21.994 13.889 -1.121 1.00 51.47 C ATOM 1664 OE1 GLU A 218 21.344 14.103 -2.174 1.00 53.05 O ATOM 1665 OE2 GLU A 218 21.873 14.598 -0.093 1.00 52.29 O ATOM 0 H GLU A 218 26.427 13.458 -2.632 1.00 44.46 H new ATOM 0 HA GLU A 218 25.466 12.284 -0.525 1.00 45.16 H new ATOM 0 HB2 GLU A 218 24.295 13.740 -2.242 1.00 45.58 H new ATOM 0 HB3 GLU A 218 23.905 12.368 -2.872 1.00 45.58 H new ATOM 0 HG2 GLU A 218 22.451 11.889 -1.266 1.00 48.42 H new ATOM 0 HG3 GLU A 218 23.286 12.607 -0.163 1.00 48.42 H new ATOM 1666 N ASP A 219 26.370 10.209 -2.600 1.00 44.25 N ATOM 1667 CA ASP A 219 26.412 8.800 -2.992 1.00 43.82 C ATOM 1668 C ASP A 219 27.448 7.938 -2.239 1.00 43.18 C ATOM 1669 O ASP A 219 27.555 6.727 -2.471 1.00 43.59 O ATOM 1670 CB ASP A 219 26.560 8.663 -4.519 1.00 44.36 C ATOM 1671 CG ASP A 219 27.940 9.051 -5.030 1.00 45.46 C ATOM 1672 OD1 ASP A 219 28.672 9.804 -4.353 1.00 47.08 O ATOM 1673 OD2 ASP A 219 28.288 8.596 -6.141 1.00 48.68 O ATOM 0 H ASP A 219 26.973 10.699 -2.969 1.00 44.25 H new ATOM 0 HA ASP A 219 25.556 8.434 -2.719 1.00 43.82 H new ATOM 0 HB2 ASP A 219 26.374 7.746 -4.774 1.00 44.36 H new ATOM 0 HB3 ASP A 219 25.894 9.219 -4.953 1.00 44.36 H new ATOM 1674 N VAL A 220 28.188 8.565 -1.333 1.00 41.99 N ATOM 1675 CA VAL A 220 29.111 7.869 -0.448 1.00 40.92 C ATOM 1676 C VAL A 220 28.346 6.891 0.453 1.00 40.93 C ATOM 1677 O VAL A 220 27.289 7.226 0.978 1.00 41.46 O ATOM 1678 CB VAL A 220 29.914 8.889 0.418 1.00 40.71 C ATOM 1679 CG1 VAL A 220 30.698 8.186 1.534 1.00 38.80 C ATOM 1680 CG2 VAL A 220 30.845 9.730 -0.458 1.00 39.60 C ATOM 0 H VAL A 220 28.168 9.416 -1.214 1.00 41.99 H new ATOM 0 HA VAL A 220 29.739 7.367 -0.991 1.00 40.92 H new ATOM 0 HB VAL A 220 29.275 9.483 0.841 1.00 40.71 H new ATOM 0 HG11 VAL A 220 31.185 8.845 2.053 1.00 38.80 H new ATOM 0 HG12 VAL A 220 30.082 7.711 2.113 1.00 38.80 H new ATOM 0 HG13 VAL A 220 31.324 7.557 1.143 1.00 38.80 H new ATOM 0 HG21 VAL A 220 31.334 10.357 0.098 1.00 39.60 H new ATOM 0 HG22 VAL A 220 31.471 9.148 -0.917 1.00 39.60 H new ATOM 0 HG23 VAL A 220 30.321 10.219 -1.111 1.00 39.60 H new ATOM 1681 N ASP A 221 28.882 5.687 0.623 1.00 40.62 N ATOM 1682 CA ASP A 221 28.321 4.711 1.550 1.00 40.30 C ATOM 1683 C ASP A 221 28.263 5.340 2.950 1.00 40.07 C ATOM 1684 O ASP A 221 29.310 5.714 3.502 1.00 39.67 O ATOM 1685 CB ASP A 221 29.182 3.442 1.564 1.00 40.37 C ATOM 1686 CG ASP A 221 28.505 2.263 2.268 1.00 41.18 C ATOM 1687 OD1 ASP A 221 27.887 2.457 3.342 1.00 41.46 O ATOM 1688 OD2 ASP A 221 28.597 1.131 1.742 1.00 41.35 O ATOM 0 H ASP A 221 29.581 5.413 0.204 1.00 40.62 H new ATOM 0 HA ASP A 221 27.426 4.463 1.269 1.00 40.30 H new ATOM 0 HB2 ASP A 221 29.391 3.190 0.651 1.00 40.37 H new ATOM 0 HB3 ASP A 221 30.024 3.634 2.005 1.00 40.37 H new ATOM 1689 N PRO A 222 27.041 5.450 3.532 1.00 39.50 N ATOM 1690 CA PRO A 222 26.883 6.085 4.845 1.00 39.12 C ATOM 1691 C PRO A 222 27.505 5.289 6.001 1.00 39.16 C ATOM 1692 O PRO A 222 27.690 5.837 7.075 1.00 39.70 O ATOM 1693 CB PRO A 222 25.359 6.189 5.010 1.00 39.12 C ATOM 1694 CG PRO A 222 24.812 5.069 4.177 1.00 38.95 C ATOM 1695 CD PRO A 222 25.750 4.966 2.995 1.00 39.38 C ATOM 0 HA PRO A 222 27.345 6.937 4.878 1.00 39.12 H new ATOM 0 HB2 PRO A 222 25.098 6.098 5.940 1.00 39.12 H new ATOM 0 HB3 PRO A 222 25.029 7.049 4.706 1.00 39.12 H new ATOM 0 HG2 PRO A 222 24.786 4.239 4.678 1.00 38.95 H new ATOM 0 HG3 PRO A 222 23.904 5.256 3.890 1.00 38.95 H new ATOM 0 HD2 PRO A 222 25.818 4.054 2.672 1.00 39.38 H new ATOM 0 HD3 PRO A 222 25.447 5.509 2.251 1.00 39.38 H new ATOM 1696 N THR A 223 27.849 4.019 5.776 1.00 39.01 N ATOM 1697 CA THR A 223 28.432 3.179 6.830 1.00 38.51 C ATOM 1698 C THR A 223 29.972 3.182 6.892 1.00 38.27 C ATOM 1699 O THR A 223 30.537 2.679 7.851 1.00 38.53 O ATOM 1700 CB THR A 223 27.961 1.709 6.742 1.00 38.51 C ATOM 1701 OG1 THR A 223 28.530 1.089 5.581 1.00 38.96 O ATOM 1702 CG2 THR A 223 26.430 1.604 6.710 1.00 38.28 C ATOM 0 H THR A 223 27.753 3.623 5.019 1.00 39.01 H new ATOM 0 HA THR A 223 28.103 3.596 7.642 1.00 38.51 H new ATOM 0 HB THR A 223 28.266 1.246 7.538 1.00 38.51 H new ATOM 0 HG1 THR A 223 28.330 1.535 4.898 1.00 38.96 H new ATOM 0 HG21 THR A 223 26.171 0.671 6.655 1.00 38.28 H new ATOM 0 HG22 THR A 223 26.062 1.994 7.518 1.00 38.28 H new ATOM 0 HG23 THR A 223 26.089 2.080 5.937 1.00 38.28 H new ATOM 1703 N TRP A 224 30.642 3.714 5.870 1.00 37.57 N ATOM 1704 CA TRP A 224 32.108 3.823 5.872 1.00 37.05 C ATOM 1705 C TRP A 224 32.611 4.848 6.894 1.00 36.71 C ATOM 1706 O TRP A 224 32.068 5.963 6.977 1.00 37.25 O ATOM 1707 CB TRP A 224 32.629 4.209 4.483 1.00 36.76 C ATOM 1708 CG TRP A 224 32.549 3.132 3.440 1.00 36.22 C ATOM 1709 CD1 TRP A 224 31.806 1.980 3.483 1.00 36.74 C ATOM 1710 CD2 TRP A 224 33.220 3.127 2.179 1.00 35.59 C ATOM 1711 NE1 TRP A 224 31.978 1.259 2.326 1.00 36.80 N ATOM 1712 CE2 TRP A 224 32.845 1.940 1.508 1.00 36.78 C ATOM 1713 CE3 TRP A 224 34.105 4.009 1.550 1.00 35.55 C ATOM 1714 CZ2 TRP A 224 33.332 1.609 0.239 1.00 37.31 C ATOM 1715 CZ3 TRP A 224 34.594 3.671 0.279 1.00 36.73 C ATOM 1716 CH2 TRP A 224 34.201 2.488 -0.356 1.00 36.16 C ATOM 0 H TRP A 224 30.266 4.021 5.160 1.00 37.57 H new ATOM 0 HA TRP A 224 32.448 2.949 6.120 1.00 37.05 H new ATOM 0 HB2 TRP A 224 32.129 4.979 4.170 1.00 36.76 H new ATOM 0 HB3 TRP A 224 33.554 4.487 4.568 1.00 36.76 H new ATOM 0 HD1 TRP A 224 31.263 1.724 4.193 1.00 36.74 H new ATOM 0 HE1 TRP A 224 31.604 0.506 2.144 1.00 36.80 H new ATOM 0 HE3 TRP A 224 34.363 4.801 1.964 1.00 35.55 H new ATOM 0 HZ2 TRP A 224 33.076 0.822 -0.186 1.00 37.31 H new ATOM 0 HZ3 TRP A 224 35.190 4.243 -0.149 1.00 36.73 H new ATOM 0 HH2 TRP A 224 34.537 2.293 -1.201 1.00 36.16 H new ATOM 1717 N PRO A 225 33.632 4.465 7.688 1.00 36.06 N ATOM 1718 CA PRO A 225 34.302 5.384 8.600 1.00 36.43 C ATOM 1719 C PRO A 225 34.958 6.517 7.807 1.00 36.24 C ATOM 1720 O PRO A 225 35.267 6.346 6.635 1.00 36.24 O ATOM 1721 CB PRO A 225 35.352 4.504 9.292 1.00 36.00 C ATOM 1722 CG PRO A 225 35.491 3.306 8.415 1.00 35.92 C ATOM 1723 CD PRO A 225 34.170 3.096 7.792 1.00 35.93 C ATOM 0 HA PRO A 225 33.704 5.809 9.235 1.00 36.43 H new ATOM 0 HB2 PRO A 225 36.197 4.972 9.384 1.00 36.00 H new ATOM 0 HB3 PRO A 225 35.067 4.254 10.185 1.00 36.00 H new ATOM 0 HG2 PRO A 225 36.173 3.448 7.740 1.00 35.92 H new ATOM 0 HG3 PRO A 225 35.759 2.529 8.930 1.00 35.92 H new ATOM 0 HD2 PRO A 225 34.246 2.673 6.923 1.00 35.93 H new ATOM 0 HD3 PRO A 225 33.603 2.527 8.336 1.00 35.93 H new ATOM 1724 N GLN A 226 35.126 7.672 8.432 1.00 36.40 N ATOM 1725 CA GLN A 226 35.597 8.854 7.719 1.00 36.41 C ATOM 1726 C GLN A 226 36.725 9.533 8.465 1.00 37.06 C ATOM 1727 O GLN A 226 36.684 9.639 9.688 1.00 37.28 O ATOM 1728 CB GLN A 226 34.456 9.852 7.538 1.00 36.09 C ATOM 1729 CG GLN A 226 33.223 9.327 6.805 1.00 35.87 C ATOM 1730 CD GLN A 226 32.029 10.241 7.012 1.00 38.11 C ATOM 1731 OE1 GLN A 226 32.091 11.189 7.806 1.00 39.25 O ATOM 1732 NE2 GLN A 226 30.947 9.968 6.314 1.00 36.94 N ATOM 0 H GLN A 226 34.974 7.795 9.269 1.00 36.40 H new ATOM 0 HA GLN A 226 35.923 8.561 6.854 1.00 36.41 H new ATOM 0 HB2 GLN A 226 34.181 10.166 8.414 1.00 36.09 H new ATOM 0 HB3 GLN A 226 34.796 10.621 7.055 1.00 36.09 H new ATOM 0 HG2 GLN A 226 33.415 9.252 5.857 1.00 35.87 H new ATOM 0 HG3 GLN A 226 33.010 8.436 7.123 1.00 35.87 H new ATOM 0 HE21 GLN A 226 30.942 9.300 5.772 1.00 36.94 H new ATOM 0 HE22 GLN A 226 30.245 10.457 6.400 1.00 36.94 H new ATOM 1733 N GLN A 227 37.727 9.992 7.727 1.00 36.83 N ATOM 1734 CA GLN A 227 38.694 10.909 8.262 1.00 37.50 C ATOM 1735 C GLN A 227 38.357 12.293 7.749 1.00 38.64 C ATOM 1736 O GLN A 227 38.154 12.487 6.550 1.00 38.55 O ATOM 1737 CB GLN A 227 40.110 10.540 7.841 1.00 36.96 C ATOM 1738 CG GLN A 227 41.178 11.411 8.491 1.00 35.90 C ATOM 1739 CD GLN A 227 42.564 11.002 8.067 1.00 35.85 C ATOM 1740 OE1 GLN A 227 43.270 11.755 7.391 1.00 37.11 O ATOM 1741 NE2 GLN A 227 42.958 9.793 8.435 1.00 34.69 N ATOM 0 H GLN A 227 37.858 9.776 6.905 1.00 36.83 H new ATOM 0 HA GLN A 227 38.661 10.876 9.231 1.00 37.50 H new ATOM 0 HB2 GLN A 227 40.277 9.612 8.068 1.00 36.96 H new ATOM 0 HB3 GLN A 227 40.184 10.614 6.877 1.00 36.96 H new ATOM 0 HG2 GLN A 227 41.027 12.339 8.254 1.00 35.90 H new ATOM 0 HG3 GLN A 227 41.103 11.349 9.456 1.00 35.90 H new ATOM 0 HE21 GLN A 227 42.438 9.296 8.907 1.00 34.69 H new ATOM 0 HE22 GLN A 227 43.734 9.504 8.203 1.00 34.69 H new ATOM 1742 N MET A 228 38.289 13.244 8.673 1.00 39.58 N ATOM 1743 CA MET A 228 38.067 14.639 8.354 1.00 41.79 C ATOM 1744 C MET A 228 39.313 15.409 8.782 1.00 40.51 C ATOM 1745 O MET A 228 39.866 15.142 9.846 1.00 40.73 O ATOM 1746 CB MET A 228 36.839 15.144 9.112 1.00 41.13 C ATOM 1747 CG MET A 228 36.389 16.555 8.725 1.00 45.08 C ATOM 1748 SD MET A 228 35.120 17.239 9.832 1.00 47.46 S ATOM 1749 CE MET A 228 36.143 17.753 11.172 1.00 45.95 C ATOM 0 H MET A 228 38.372 13.090 9.515 1.00 39.58 H new ATOM 0 HA MET A 228 37.908 14.761 7.405 1.00 41.79 H new ATOM 0 HB2 MET A 228 36.104 14.529 8.960 1.00 41.13 H new ATOM 0 HB3 MET A 228 37.031 15.127 10.063 1.00 41.13 H new ATOM 0 HG2 MET A 228 37.160 17.144 8.725 1.00 45.08 H new ATOM 0 HG3 MET A 228 36.043 16.540 7.819 1.00 45.08 H new ATOM 0 HE1 MET A 228 35.602 18.208 11.837 1.00 45.95 H new ATOM 0 HE2 MET A 228 36.564 16.977 11.574 1.00 45.95 H new ATOM 0 HE3 MET A 228 36.827 18.358 10.844 1.00 45.95 H new ATOM 1750 N GLY A 229 39.765 16.355 7.967 1.00 40.21 N ATOM 1751 CA GLY A 229 40.900 17.177 8.376 1.00 40.30 C ATOM 1752 C GLY A 229 41.244 18.327 7.455 1.00 40.51 C ATOM 1753 O GLY A 229 40.486 18.654 6.538 1.00 40.67 O ATOM 0 H GLY A 229 39.439 16.535 7.192 1.00 40.21 H new ATOM 0 HA2 GLY A 229 40.717 17.535 9.259 1.00 40.30 H new ATOM 0 HA3 GLY A 229 41.679 16.605 8.457 1.00 40.30 H new ATOM 1754 N ILE A 230 42.388 18.950 7.725 1.00 40.70 N ATOM 1755 CA ILE A 230 42.944 20.012 6.888 1.00 41.10 C ATOM 1756 C ILE A 230 44.362 19.618 6.502 1.00 41.54 C ATOM 1757 O ILE A 230 45.168 19.266 7.365 1.00 41.93 O ATOM 1758 CB ILE A 230 42.933 21.403 7.615 1.00 41.21 C ATOM 1759 CG1 ILE A 230 41.491 21.818 7.936 1.00 41.83 C ATOM 1760 CG2 ILE A 230 43.591 22.488 6.743 1.00 40.88 C ATOM 1761 CD1 ILE A 230 41.357 22.722 9.121 1.00 42.56 C ATOM 0 H ILE A 230 42.872 18.765 8.411 1.00 40.70 H new ATOM 0 HA ILE A 230 42.393 20.112 6.096 1.00 41.10 H new ATOM 0 HB ILE A 230 43.440 21.314 8.437 1.00 41.21 H new ATOM 0 HG12 ILE A 230 41.113 22.261 7.160 1.00 41.83 H new ATOM 0 HG13 ILE A 230 40.963 21.019 8.091 1.00 41.83 H new ATOM 0 HG21 ILE A 230 43.572 23.336 7.213 1.00 40.88 H new ATOM 0 HG22 ILE A 230 44.511 22.241 6.559 1.00 40.88 H new ATOM 0 HG23 ILE A 230 43.105 22.571 5.908 1.00 40.88 H new ATOM 0 HD11 ILE A 230 40.422 22.939 9.259 1.00 42.56 H new ATOM 0 HD12 ILE A 230 41.705 22.276 9.909 1.00 42.56 H new ATOM 0 HD13 ILE A 230 41.858 23.538 8.964 1.00 42.56 H new ATOM 1762 N GLN A 231 44.647 19.650 5.203 1.00 41.90 N ATOM 1763 CA GLN A 231 45.977 19.340 4.691 1.00 42.68 C ATOM 1764 C GLN A 231 46.666 20.590 4.140 1.00 43.28 C ATOM 1765 O GLN A 231 46.080 21.340 3.356 1.00 42.95 O ATOM 1766 CB GLN A 231 45.897 18.247 3.614 1.00 42.14 C ATOM 1767 CG GLN A 231 47.220 17.908 2.958 1.00 42.22 C ATOM 1768 CD GLN A 231 47.071 16.866 1.866 1.00 43.70 C ATOM 1769 OE1 GLN A 231 46.601 17.166 0.772 1.00 45.42 O ATOM 1770 NE2 GLN A 231 47.457 15.627 2.167 1.00 43.31 N ATOM 0 H GLN A 231 44.074 19.852 4.594 1.00 41.90 H new ATOM 0 HA GLN A 231 46.511 19.009 5.430 1.00 42.68 H new ATOM 0 HB2 GLN A 231 45.532 17.442 4.014 1.00 42.14 H new ATOM 0 HB3 GLN A 231 45.273 18.531 2.928 1.00 42.14 H new ATOM 0 HG2 GLN A 231 47.608 18.714 2.582 1.00 42.22 H new ATOM 0 HG3 GLN A 231 47.838 17.582 3.631 1.00 42.22 H new ATOM 0 HE21 GLN A 231 47.782 15.455 2.944 1.00 43.31 H new ATOM 0 HE22 GLN A 231 47.381 14.999 1.584 1.00 43.31 H new ATOM 1771 N VAL A 232 47.911 20.805 4.562 1.00 44.05 N ATOM 1772 CA VAL A 232 48.740 21.880 4.019 1.00 44.55 C ATOM 1773 C VAL A 232 49.879 21.303 3.180 1.00 44.99 C ATOM 1774 O VAL A 232 50.578 20.380 3.617 1.00 44.72 O ATOM 1775 CB VAL A 232 49.297 22.770 5.148 1.00 44.84 C ATOM 1776 CG1 VAL A 232 50.085 23.921 4.588 1.00 44.41 C ATOM 1777 CG2 VAL A 232 48.156 23.316 5.970 1.00 45.42 C ATOM 0 H VAL A 232 48.298 20.334 5.169 1.00 44.05 H new ATOM 0 HA VAL A 232 48.184 22.432 3.447 1.00 44.55 H new ATOM 0 HB VAL A 232 49.882 22.228 5.700 1.00 44.84 H new ATOM 0 HG11 VAL A 232 50.424 24.465 5.316 1.00 44.41 H new ATOM 0 HG12 VAL A 232 50.828 23.581 4.065 1.00 44.41 H new ATOM 0 HG13 VAL A 232 49.512 24.461 4.021 1.00 44.41 H new ATOM 0 HG21 VAL A 232 48.507 23.876 6.680 1.00 45.42 H new ATOM 0 HG22 VAL A 232 47.571 23.843 5.403 1.00 45.42 H new ATOM 0 HG23 VAL A 232 47.655 22.581 6.356 1.00 45.42 H new ATOM 1778 N GLN A 233 50.054 21.831 1.971 1.00 45.72 N ATOM 1779 CA GLN A 233 51.220 21.484 1.158 1.00 46.95 C ATOM 1780 C GLN A 233 52.316 22.521 1.386 1.00 47.25 C ATOM 1781 O GLN A 233 52.107 23.718 1.167 1.00 47.14 O ATOM 1782 CB GLN A 233 50.882 21.410 -0.333 1.00 47.03 C ATOM 1783 CG GLN A 233 52.078 20.984 -1.188 1.00 49.93 C ATOM 1784 CD GLN A 233 51.957 21.353 -2.668 1.00 53.91 C ATOM 1785 OE1 GLN A 233 50.852 21.478 -3.212 1.00 56.40 O ATOM 1786 NE2 GLN A 233 53.104 21.504 -3.333 1.00 53.93 N ATOM 0 H GLN A 233 49.513 22.389 1.604 1.00 45.72 H new ATOM 0 HA GLN A 233 51.523 20.604 1.431 1.00 46.95 H new ATOM 0 HB2 GLN A 233 50.154 20.782 -0.465 1.00 47.03 H new ATOM 0 HB3 GLN A 233 50.567 22.277 -0.633 1.00 47.03 H new ATOM 0 HG2 GLN A 233 52.881 21.392 -0.828 1.00 49.93 H new ATOM 0 HG3 GLN A 233 52.190 20.023 -1.113 1.00 49.93 H new ATOM 0 HE21 GLN A 233 53.854 21.410 -2.923 1.00 53.93 H new ATOM 0 HE22 GLN A 233 53.093 21.695 -4.171 1.00 53.93 H new ATOM 1787 N THR A 234 53.482 22.053 1.816 1.00 47.78 N ATOM 1788 CA THR A 234 54.619 22.935 2.058 1.00 48.48 C ATOM 1789 C THR A 234 55.615 22.881 0.892 1.00 49.20 C ATOM 1790 O THR A 234 55.686 21.877 0.173 1.00 49.28 O ATOM 1791 CB THR A 234 55.313 22.625 3.411 1.00 48.27 C ATOM 1792 OG1 THR A 234 55.918 21.331 3.372 1.00 47.25 O ATOM 1793 CG2 THR A 234 54.311 22.683 4.558 1.00 48.18 C ATOM 0 H THR A 234 53.637 21.222 1.975 1.00 47.78 H new ATOM 0 HA THR A 234 54.277 23.841 2.116 1.00 48.48 H new ATOM 0 HB THR A 234 55.998 23.296 3.558 1.00 48.27 H new ATOM 0 HG1 THR A 234 56.709 21.400 3.099 1.00 47.25 H new ATOM 0 HG21 THR A 234 54.763 22.487 5.393 1.00 48.18 H new ATOM 0 HG22 THR A 234 53.921 23.570 4.603 1.00 48.18 H new ATOM 0 HG23 THR A 234 53.610 22.029 4.409 1.00 48.18 H new ATOM 1794 N ILE A 235 56.370 23.966 0.711 1.00 50.10 N ATOM 1795 CA ILE A 235 57.312 24.106 -0.418 1.00 50.94 C ATOM 1796 C ILE A 235 58.740 24.526 -0.031 1.00 51.33 C ATOM 1797 O ILE A 235 59.649 24.509 -0.873 1.00 51.70 O ATOM 1798 CB ILE A 235 56.788 25.084 -1.501 1.00 50.93 C ATOM 1799 CG1 ILE A 235 56.161 26.321 -0.852 1.00 51.28 C ATOM 1800 CG2 ILE A 235 55.800 24.377 -2.403 1.00 50.99 C ATOM 1801 CD1 ILE A 235 56.474 27.613 -1.554 1.00 51.86 C ATOM 0 H ILE A 235 56.354 24.646 1.237 1.00 50.10 H new ATOM 0 HA ILE A 235 57.365 23.204 -0.772 1.00 50.94 H new ATOM 0 HB ILE A 235 57.535 25.383 -2.043 1.00 50.93 H new ATOM 0 HG12 ILE A 235 55.198 26.206 -0.823 1.00 51.28 H new ATOM 0 HG13 ILE A 235 56.467 26.382 0.067 1.00 51.28 H new ATOM 0 HG21 ILE A 235 55.477 24.995 -3.077 1.00 50.99 H new ATOM 0 HG22 ILE A 235 56.236 23.626 -2.836 1.00 50.99 H new ATOM 0 HG23 ILE A 235 55.052 24.056 -1.875 1.00 50.99 H new ATOM 0 HD11 ILE A 235 56.045 28.347 -1.087 1.00 51.86 H new ATOM 0 HD12 ILE A 235 57.434 27.753 -1.562 1.00 51.86 H new ATOM 0 HD13 ILE A 235 56.146 27.574 -2.466 1.00 51.86 H new ATOM 1802 N ASP A 236 58.929 24.913 1.228 1.00 51.51 N ATOM 1803 CA ASP A 236 60.249 25.280 1.737 1.00 51.81 C ATOM 1804 C ASP A 236 60.306 25.029 3.241 1.00 51.86 C ATOM 1805 O ASP A 236 59.290 24.679 3.853 1.00 52.01 O ATOM 1806 CB ASP A 236 60.557 26.754 1.426 1.00 51.82 C ATOM 1807 CG ASP A 236 62.054 27.046 1.351 1.00 52.28 C ATOM 1808 OD1 ASP A 236 62.873 26.114 1.517 1.00 52.45 O ATOM 1809 OD2 ASP A 236 62.414 28.219 1.125 1.00 52.94 O ATOM 0 H ASP A 236 58.298 24.970 1.810 1.00 51.51 H new ATOM 0 HA ASP A 236 60.919 24.733 1.299 1.00 51.81 H new ATOM 0 HB2 ASP A 236 60.143 26.995 0.583 1.00 51.82 H new ATOM 0 HB3 ASP A 236 60.157 27.314 2.109 1.00 51.82 H new ATOM 1810 N GLU A 237 61.494 25.198 3.822 1.00 51.90 N ATOM 1811 CA GLU A 237 61.686 25.180 5.274 1.00 52.12 C ATOM 1812 C GLU A 237 60.960 26.350 5.935 1.00 51.48 C ATOM 1813 O GLU A 237 60.779 27.402 5.318 1.00 51.26 O ATOM 1814 CB GLU A 237 63.176 25.242 5.621 1.00 51.96 C ATOM 1815 CG GLU A 237 63.928 23.948 5.348 1.00 53.25 C ATOM 1816 CD GLU A 237 65.445 24.094 5.440 1.00 53.54 C ATOM 1817 OE1 GLU A 237 65.951 25.239 5.442 1.00 55.78 O ATOM 1818 OE2 GLU A 237 66.138 23.053 5.503 1.00 55.71 O ATOM 0 H GLU A 237 62.220 25.328 3.379 1.00 51.90 H new ATOM 0 HA GLU A 237 61.314 24.350 5.611 1.00 52.12 H new ATOM 0 HB2 GLU A 237 63.588 25.958 5.113 1.00 51.96 H new ATOM 0 HB3 GLU A 237 63.271 25.469 6.559 1.00 51.96 H new ATOM 0 HG2 GLU A 237 63.636 23.273 5.981 1.00 53.25 H new ATOM 0 HG3 GLU A 237 63.694 23.627 4.463 1.00 53.25 H new ATOM 1819 N GLY A 238 60.534 26.152 7.183 1.00 51.12 N ATOM 1820 CA GLY A 238 59.914 27.222 7.962 1.00 50.69 C ATOM 1821 C GLY A 238 58.956 26.750 9.035 1.00 50.38 C ATOM 1822 O GLY A 238 58.532 25.599 9.046 1.00 50.54 O ATOM 0 H GLY A 238 60.596 25.401 7.598 1.00 51.12 H new ATOM 0 HA2 GLY A 238 60.614 27.749 8.379 1.00 50.69 H new ATOM 0 HA3 GLY A 238 59.438 27.812 7.357 1.00 50.69 H new ATOM 1823 N GLU A 239 58.620 27.652 9.947 1.00 49.94 N ATOM 1824 CA GLU A 239 57.647 27.370 10.991 1.00 49.69 C ATOM 1825 C GLU A 239 56.490 28.363 10.875 1.00 48.90 C ATOM 1826 O GLU A 239 56.700 29.579 10.813 1.00 48.88 O ATOM 1827 CB GLU A 239 58.298 27.416 12.383 1.00 49.60 C ATOM 1828 CG GLU A 239 57.363 27.012 13.533 1.00 50.13 C ATOM 1829 CD GLU A 239 58.052 26.975 14.895 1.00 50.95 C ATOM 1830 OE1 GLU A 239 58.975 27.782 15.136 1.00 53.76 O ATOM 1831 OE2 GLU A 239 57.664 26.139 15.740 1.00 53.27 O ATOM 0 H GLU A 239 58.950 28.446 9.978 1.00 49.94 H new ATOM 0 HA GLU A 239 57.301 26.471 10.876 1.00 49.69 H new ATOM 0 HB2 GLU A 239 59.070 26.829 12.387 1.00 49.60 H new ATOM 0 HB3 GLU A 239 58.624 28.315 12.546 1.00 49.60 H new ATOM 0 HG2 GLU A 239 56.621 27.635 13.571 1.00 50.13 H new ATOM 0 HG3 GLU A 239 56.989 26.137 13.344 1.00 50.13 H new ATOM 1832 N PHE A 240 55.273 27.828 10.821 1.00 48.10 N ATOM 1833 CA PHE A 240 54.066 28.636 10.686 1.00 47.25 C ATOM 1834 C PHE A 240 52.947 28.093 11.564 1.00 46.64 C ATOM 1835 O PHE A 240 52.927 26.901 11.887 1.00 46.85 O ATOM 1836 CB PHE A 240 53.627 28.750 9.213 1.00 47.31 C ATOM 1837 CG PHE A 240 53.332 27.427 8.541 1.00 47.41 C ATOM 1838 CD1 PHE A 240 54.366 26.629 8.046 1.00 47.05 C ATOM 1839 CD2 PHE A 240 52.018 26.999 8.372 1.00 47.38 C ATOM 1840 CE1 PHE A 240 54.094 25.410 7.412 1.00 47.90 C ATOM 1841 CE2 PHE A 240 51.729 25.778 7.738 1.00 47.82 C ATOM 1842 CZ PHE A 240 52.768 24.984 7.259 1.00 47.61 C ATOM 0 H PHE A 240 55.124 26.982 10.862 1.00 48.10 H new ATOM 0 HA PHE A 240 54.272 29.533 10.993 1.00 47.25 H new ATOM 0 HB2 PHE A 240 52.834 29.307 9.166 1.00 47.31 H new ATOM 0 HB3 PHE A 240 54.324 29.205 8.714 1.00 47.31 H new ATOM 0 HD1 PHE A 240 55.247 26.911 8.139 1.00 47.05 H new ATOM 0 HD2 PHE A 240 51.320 27.529 8.683 1.00 47.38 H new ATOM 0 HE1 PHE A 240 54.792 24.885 7.093 1.00 47.90 H new ATOM 0 HE2 PHE A 240 50.847 25.501 7.639 1.00 47.82 H new ATOM 0 HZ PHE A 240 52.583 24.175 6.840 1.00 47.61 H new ATOM 1843 N THR A 241 52.026 28.972 11.947 1.00 45.52 N ATOM 1844 CA THR A 241 50.908 28.600 12.801 1.00 45.00 C ATOM 1845 C THR A 241 49.576 28.902 12.128 1.00 44.72 C ATOM 1846 O THR A 241 49.323 30.026 11.689 1.00 44.56 O ATOM 1847 CB THR A 241 50.986 29.288 14.188 1.00 44.98 C ATOM 1848 OG1 THR A 241 52.172 28.856 14.866 1.00 45.16 O ATOM 1849 CG2 THR A 241 49.765 28.952 15.047 1.00 44.37 C ATOM 0 H THR A 241 52.033 29.801 11.718 1.00 45.52 H new ATOM 0 HA THR A 241 50.968 27.642 12.944 1.00 45.00 H new ATOM 0 HB THR A 241 51.006 30.248 14.049 1.00 44.98 H new ATOM 0 HG1 THR A 241 52.217 29.229 15.617 1.00 45.16 H new ATOM 0 HG21 THR A 241 49.842 29.395 15.906 1.00 44.37 H new ATOM 0 HG22 THR A 241 48.960 29.255 14.598 1.00 44.37 H new ATOM 0 HG23 THR A 241 49.718 27.993 15.182 1.00 44.37 H new ATOM 1850 N ILE A 242 48.736 27.873 12.050 1.00 44.28 N ATOM 1851 CA ILE A 242 47.388 27.982 11.519 1.00 43.77 C ATOM 1852 C ILE A 242 46.408 27.810 12.676 1.00 43.77 C ATOM 1853 O ILE A 242 46.619 26.977 13.559 1.00 43.99 O ATOM 1854 CB ILE A 242 47.141 26.910 10.408 1.00 44.03 C ATOM 1855 CG1 ILE A 242 47.886 27.296 9.124 1.00 43.17 C ATOM 1856 CG2 ILE A 242 45.645 26.721 10.136 1.00 43.55 C ATOM 1857 CD1 ILE A 242 48.238 26.133 8.248 1.00 43.82 C ATOM 0 H ILE A 242 48.941 27.079 12.310 1.00 44.28 H new ATOM 0 HA ILE A 242 47.261 28.851 11.108 1.00 43.77 H new ATOM 0 HB ILE A 242 47.488 26.061 10.725 1.00 44.03 H new ATOM 0 HG12 ILE A 242 47.338 27.916 8.618 1.00 43.17 H new ATOM 0 HG13 ILE A 242 48.700 27.767 9.363 1.00 43.17 H new ATOM 0 HG21 ILE A 242 45.524 26.052 9.444 1.00 43.55 H new ATOM 0 HG22 ILE A 242 45.202 26.429 10.948 1.00 43.55 H new ATOM 0 HG23 ILE A 242 45.260 27.562 9.843 1.00 43.55 H new ATOM 0 HD11 ILE A 242 48.704 26.451 7.459 1.00 43.82 H new ATOM 0 HD12 ILE A 242 48.810 25.521 8.737 1.00 43.82 H new ATOM 0 HD13 ILE A 242 47.427 25.673 7.980 1.00 43.82 H new ATOM 1858 N TYR A 243 45.355 28.618 12.683 1.00 43.66 N ATOM 1859 CA TYR A 243 44.297 28.494 13.674 1.00 43.48 C ATOM 1860 C TYR A 243 43.034 27.933 13.018 1.00 43.33 C ATOM 1861 O TYR A 243 42.652 28.340 11.921 1.00 43.27 O ATOM 1862 CB TYR A 243 44.007 29.839 14.342 1.00 43.98 C ATOM 1863 CG TYR A 243 45.143 30.367 15.186 1.00 44.11 C ATOM 1864 CD1 TYR A 243 46.179 31.098 14.610 1.00 44.39 C ATOM 1865 CD2 TYR A 243 45.180 30.142 16.564 1.00 44.14 C ATOM 1866 CE1 TYR A 243 47.225 31.583 15.379 1.00 43.18 C ATOM 1867 CE2 TYR A 243 46.216 30.625 17.335 1.00 44.13 C ATOM 1868 CZ TYR A 243 47.234 31.344 16.733 1.00 43.99 C ATOM 1869 OH TYR A 243 48.271 31.826 17.490 1.00 44.68 O ATOM 0 H TYR A 243 45.234 29.252 12.114 1.00 43.66 H new ATOM 0 HA TYR A 243 44.593 27.881 14.365 1.00 43.48 H new ATOM 0 HB2 TYR A 243 43.797 30.491 13.656 1.00 43.98 H new ATOM 0 HB3 TYR A 243 43.218 29.749 14.899 1.00 43.98 H new ATOM 0 HD1 TYR A 243 46.169 31.263 13.695 1.00 44.39 H new ATOM 0 HD2 TYR A 243 44.495 29.659 16.968 1.00 44.14 H new ATOM 0 HE1 TYR A 243 47.914 32.066 14.983 1.00 43.18 H new ATOM 0 HE2 TYR A 243 46.231 30.469 18.252 1.00 44.13 H new ATOM 0 HH TYR A 243 48.086 31.742 18.305 1.00 44.68 H new ATOM 1870 N VAL A 244 42.401 26.985 13.699 1.00 42.92 N ATOM 1871 CA VAL A 244 41.217 26.321 13.182 1.00 42.45 C ATOM 1872 C VAL A 244 40.142 26.351 14.262 1.00 42.36 C ATOM 1873 O VAL A 244 40.401 26.012 15.412 1.00 42.30 O ATOM 1874 CB VAL A 244 41.534 24.856 12.770 1.00 42.41 C ATOM 1875 CG1 VAL A 244 40.276 24.139 12.280 1.00 42.03 C ATOM 1876 CG2 VAL A 244 42.641 24.814 11.699 1.00 41.75 C ATOM 0 H VAL A 244 42.648 26.710 14.475 1.00 42.92 H new ATOM 0 HA VAL A 244 40.906 26.783 12.388 1.00 42.45 H new ATOM 0 HB VAL A 244 41.857 24.389 13.556 1.00 42.41 H new ATOM 0 HG11 VAL A 244 40.499 23.229 12.029 1.00 42.03 H new ATOM 0 HG12 VAL A 244 39.614 24.126 12.989 1.00 42.03 H new ATOM 0 HG13 VAL A 244 39.916 24.607 11.510 1.00 42.03 H new ATOM 0 HG21 VAL A 244 42.823 23.892 11.457 1.00 41.75 H new ATOM 0 HG22 VAL A 244 42.350 25.303 10.913 1.00 41.75 H new ATOM 0 HG23 VAL A 244 43.448 25.220 12.052 1.00 41.75 H new ATOM 1877 N ASP A 245 38.938 26.763 13.883 1.00 42.16 N ATOM 1878 CA ASP A 245 37.821 26.812 14.809 1.00 42.24 C ATOM 1879 C ASP A 245 36.482 26.659 14.083 1.00 41.97 C ATOM 1880 O ASP A 245 36.396 26.824 12.863 1.00 42.10 O ATOM 1881 CB ASP A 245 37.839 28.133 15.607 1.00 42.33 C ATOM 1882 CG ASP A 245 36.865 28.128 16.776 1.00 42.32 C ATOM 1883 OD1 ASP A 245 36.473 27.024 17.218 1.00 42.57 O ATOM 1884 OD2 ASP A 245 36.482 29.218 17.268 1.00 42.09 O ATOM 0 H ASP A 245 38.749 27.021 13.085 1.00 42.16 H new ATOM 0 HA ASP A 245 37.918 26.067 15.423 1.00 42.24 H new ATOM 0 HB2 ASP A 245 38.736 28.293 15.939 1.00 42.33 H new ATOM 0 HB3 ASP A 245 37.621 28.868 15.013 1.00 42.33 H new ATOM 1885 N ALA A 246 35.444 26.338 14.851 1.00 41.70 N ATOM 1886 CA ALA A 246 34.069 26.432 14.389 1.00 41.49 C ATOM 1887 C ALA A 246 33.816 25.675 13.080 1.00 41.32 C ATOM 1888 O ALA A 246 33.219 26.213 12.142 1.00 41.40 O ATOM 1889 CB ALA A 246 33.634 27.921 14.277 1.00 41.40 C ATOM 0 H ALA A 246 35.522 26.058 15.660 1.00 41.70 H new ATOM 0 HA ALA A 246 33.519 25.994 15.057 1.00 41.49 H new ATOM 0 HB1 ALA A 246 32.716 27.968 13.968 1.00 41.40 H new ATOM 0 HB2 ALA A 246 33.704 28.345 15.147 1.00 41.40 H new ATOM 0 HB3 ALA A 246 34.211 28.380 13.646 1.00 41.40 H new ATOM 1890 N ILE A 247 34.285 24.431 13.022 1.00 41.21 N ATOM 1891 CA ILE A 247 33.906 23.524 11.944 1.00 40.91 C ATOM 1892 C ILE A 247 32.452 23.131 12.192 1.00 41.36 C ATOM 1893 O ILE A 247 32.096 22.678 13.284 1.00 41.46 O ATOM 1894 CB ILE A 247 34.827 22.284 11.835 1.00 40.68 C ATOM 1895 CG1 ILE A 247 36.286 22.721 11.648 1.00 39.58 C ATOM 1896 CG2 ILE A 247 34.385 21.407 10.660 1.00 40.30 C ATOM 1897 CD1 ILE A 247 37.308 21.617 11.885 1.00 40.70 C ATOM 0 H ILE A 247 34.825 24.093 13.599 1.00 41.21 H new ATOM 0 HA ILE A 247 34.007 23.973 11.090 1.00 40.91 H new ATOM 0 HB ILE A 247 34.759 21.770 12.655 1.00 40.68 H new ATOM 0 HG12 ILE A 247 36.397 23.062 10.747 1.00 39.58 H new ATOM 0 HG13 ILE A 247 36.473 23.455 12.254 1.00 39.58 H new ATOM 0 HG21 ILE A 247 34.966 20.633 10.598 1.00 40.30 H new ATOM 0 HG22 ILE A 247 33.471 21.115 10.800 1.00 40.30 H new ATOM 0 HG23 ILE A 247 34.438 21.918 9.837 1.00 40.30 H new ATOM 0 HD11 ILE A 247 38.202 21.968 11.749 1.00 40.70 H new ATOM 0 HD12 ILE A 247 37.225 21.289 12.794 1.00 40.70 H new ATOM 0 HD13 ILE A 247 37.149 20.890 11.263 1.00 40.70 H new ATOM 1898 N ASP A 248 31.615 23.342 11.184 1.00 41.50 N ATOM 1899 CA ASP A 248 30.172 23.305 11.386 1.00 42.51 C ATOM 1900 C ASP A 248 29.397 22.762 10.177 1.00 42.90 C ATOM 1901 O ASP A 248 29.825 22.894 9.026 1.00 42.56 O ATOM 1902 CB ASP A 248 29.671 24.712 11.761 1.00 41.98 C ATOM 1903 CG ASP A 248 28.368 24.687 12.546 1.00 42.63 C ATOM 1904 OD1 ASP A 248 28.007 23.619 13.080 1.00 41.80 O ATOM 1905 OD2 ASP A 248 27.706 25.750 12.641 1.00 43.45 O ATOM 0 H ASP A 248 31.861 23.508 10.377 1.00 41.50 H new ATOM 0 HA ASP A 248 30.002 22.683 12.111 1.00 42.51 H new ATOM 0 HB2 ASP A 248 30.351 25.163 12.286 1.00 41.98 H new ATOM 0 HB3 ASP A 248 29.546 25.232 10.952 1.00 41.98 H new ATOM 1906 N TRP A 249 28.262 22.133 10.464 1.00 44.21 N ATOM 1907 CA TRP A 249 27.321 21.667 9.443 1.00 45.72 C ATOM 1908 C TRP A 249 25.936 21.465 10.062 1.00 47.08 C ATOM 1909 O TRP A 249 25.805 21.375 11.288 1.00 46.92 O ATOM 1910 CB TRP A 249 27.810 20.365 8.796 1.00 45.27 C ATOM 1911 CG TRP A 249 27.981 19.222 9.761 1.00 45.18 C ATOM 1912 CD1 TRP A 249 27.031 18.309 10.127 1.00 44.81 C ATOM 1913 CD2 TRP A 249 29.177 18.865 10.481 1.00 45.16 C ATOM 1914 NE1 TRP A 249 27.557 17.411 11.027 1.00 45.00 N ATOM 1915 CE2 TRP A 249 28.870 17.728 11.264 1.00 45.10 C ATOM 1916 CE3 TRP A 249 30.471 19.400 10.545 1.00 44.03 C ATOM 1917 CZ2 TRP A 249 29.815 17.107 12.092 1.00 45.17 C ATOM 1918 CZ3 TRP A 249 31.410 18.781 11.370 1.00 45.14 C ATOM 1919 CH2 TRP A 249 31.073 17.646 12.131 1.00 44.84 C ATOM 0 H TRP A 249 28.011 21.961 11.268 1.00 44.21 H new ATOM 0 HA TRP A 249 27.264 22.343 8.750 1.00 45.72 H new ATOM 0 HB2 TRP A 249 27.180 20.102 8.107 1.00 45.27 H new ATOM 0 HB3 TRP A 249 28.658 20.533 8.356 1.00 45.27 H new ATOM 0 HD1 TRP A 249 26.156 18.297 9.813 1.00 44.81 H new ATOM 0 HE1 TRP A 249 27.130 16.755 11.384 1.00 45.00 H new ATOM 0 HE3 TRP A 249 30.699 20.152 10.048 1.00 44.03 H new ATOM 0 HZ2 TRP A 249 29.596 16.357 12.596 1.00 45.17 H new ATOM 0 HZ3 TRP A 249 32.273 19.124 11.418 1.00 45.14 H new ATOM 0 HH2 TRP A 249 31.719 17.253 12.672 1.00 44.84 H new ATOM 1920 N LEU A 250 24.911 21.392 9.212 1.00 49.12 N ATOM 1921 CA LEU A 250 23.539 21.162 9.672 1.00 51.17 C ATOM 1922 C LEU A 250 23.270 19.671 9.876 1.00 52.36 C ATOM 1923 O LEU A 250 23.481 18.872 8.961 1.00 52.63 O ATOM 1924 CB LEU A 250 22.518 21.769 8.696 1.00 51.24 C ATOM 1925 CG LEU A 250 22.318 23.294 8.720 1.00 52.47 C ATOM 1926 CD1 LEU A 250 21.356 23.737 7.622 1.00 53.19 C ATOM 1927 CD2 LEU A 250 21.823 23.796 10.083 1.00 53.47 C ATOM 0 H LEU A 250 24.989 21.474 8.359 1.00 49.12 H new ATOM 0 HA LEU A 250 23.438 21.607 10.528 1.00 51.17 H new ATOM 0 HB2 LEU A 250 22.780 21.517 7.797 1.00 51.24 H new ATOM 0 HB3 LEU A 250 21.659 21.353 8.868 1.00 51.24 H new ATOM 0 HG LEU A 250 23.189 23.690 8.558 1.00 52.47 H new ATOM 0 HD11 LEU A 250 21.246 24.700 7.657 1.00 53.19 H new ATOM 0 HD12 LEU A 250 21.714 23.484 6.757 1.00 53.19 H new ATOM 0 HD13 LEU A 250 20.496 23.309 7.753 1.00 53.19 H new ATOM 0 HD21 LEU A 250 21.711 24.759 10.052 1.00 53.47 H new ATOM 0 HD22 LEU A 250 20.973 23.379 10.292 1.00 53.47 H new ATOM 0 HD23 LEU A 250 22.472 23.568 10.767 1.00 53.47 H new ATOM 1928 N GLU A 251 22.805 19.324 11.083 1.00 53.90 N ATOM 1929 CA GLU A 251 22.489 17.943 11.501 1.00 55.27 C ATOM 1930 C GLU A 251 23.745 17.119 11.783 1.00 55.80 C ATOM 1931 O GLU A 251 23.672 16.030 12.366 1.00 56.59 O ATOM 1932 CB GLU A 251 21.599 17.217 10.480 1.00 55.28 C ATOM 1933 CG GLU A 251 20.249 17.875 10.226 1.00 56.27 C ATOM 1934 CD GLU A 251 19.428 17.150 9.169 1.00 56.59 C ATOM 1935 OE1 GLU A 251 19.998 16.316 8.429 1.00 58.35 O ATOM 1936 OE2 GLU A 251 18.207 17.417 9.072 1.00 58.60 O ATOM 0 H GLU A 251 22.659 19.902 11.703 1.00 53.90 H new ATOM 0 HA GLU A 251 21.993 18.026 12.330 1.00 55.27 H new ATOM 0 HB2 GLU A 251 22.078 17.156 9.639 1.00 55.28 H new ATOM 0 HB3 GLU A 251 21.449 16.310 10.788 1.00 55.28 H new ATOM 0 HG2 GLU A 251 19.747 17.904 11.056 1.00 56.27 H new ATOM 0 HG3 GLU A 251 20.389 18.793 9.947 1.00 56.27 H new TER 1937 GLU A 251 HETATM 1938 CA CA A 301 -6.698 52.453 1.945 1.00 36.70 CA HETATM 1939 CA CA A 302 35.368 28.143 19.261 1.00 51.37 CA HETATM 1940 C1 EDO A 401 -2.352 40.723 5.033 1.00 51.39 C HETATM 1941 O1 EDO A 401 -2.558 39.627 5.932 1.00 53.43 O HETATM 1942 C2 EDO A 401 -2.389 40.187 3.619 1.00 50.77 C HETATM 1943 O2 EDO A 401 -3.746 39.981 3.233 1.00 51.85 O HETATM 0 HO2 EDO A 401 -3.772 39.684 2.448 1.00 51.85 H new HETATM 0 HO1 EDO A 401 -2.539 39.907 6.724 1.00 53.43 H new HETATM 0 H22 EDO A 401 -1.960 40.811 3.013 1.00 50.77 H new HETATM 0 H21 EDO A 401 -1.895 39.354 3.564 1.00 50.77 H new HETATM 0 H12 EDO A 401 -3.039 41.397 5.158 1.00 51.39 H new HETATM 0 H11 EDO A 401 -1.500 41.151 5.211 1.00 51.39 H new HETATM 1944 C1 EDO A 402 35.228 20.262 19.722 1.00 57.53 C HETATM 1945 O1 EDO A 402 33.900 20.725 19.967 1.00 56.31 O HETATM 1946 C2 EDO A 402 35.890 19.949 21.055 1.00 58.32 C HETATM 1947 O2 EDO A 402 35.183 18.843 21.619 1.00 60.63 O HETATM 0 HO2 EDO A 402 35.084 18.965 22.444 1.00 60.63 H new HETATM 0 HO1 EDO A 402 33.595 20.350 20.654 1.00 56.31 H new HETATM 0 H22 EDO A 402 36.827 19.731 20.931 1.00 58.32 H new HETATM 0 H21 EDO A 402 35.854 20.718 21.646 1.00 58.32 H new HETATM 0 H12 EDO A 402 35.210 19.470 19.162 1.00 57.53 H new HETATM 0 H11 EDO A 402 35.736 20.936 19.244 1.00 57.53 H new HETATM 1948 C1 EDO A 403 1.198 36.384 23.246 1.00 46.46 C HETATM 1949 O1 EDO A 403 2.084 35.803 24.205 1.00 47.99 O HETATM 1950 C2 EDO A 403 1.888 36.444 21.892 1.00 45.45 C HETATM 1951 O2 EDO A 403 2.589 37.684 21.874 1.00 44.70 O HETATM 0 HO2 EDO A 403 2.873 37.857 22.645 1.00 44.70 H new HETATM 0 HO1 EDO A 403 1.705 35.771 24.954 1.00 47.99 H new HETATM 0 H22 EDO A 403 2.497 35.697 21.777 1.00 45.45 H new HETATM 0 H21 EDO A 403 1.243 36.398 21.169 1.00 45.45 H new HETATM 0 H12 EDO A 403 0.385 35.859 23.183 1.00 46.46 H new HETATM 0 H11 EDO A 403 0.939 37.275 23.528 1.00 46.46 H new HETATM 1952 C1 EDO A 404 6.901 51.671 19.402 1.00 53.48 C HETATM 1953 O1 EDO A 404 6.701 52.953 18.816 1.00 55.73 O HETATM 1954 C2 EDO A 404 5.820 51.445 20.435 1.00 54.79 C HETATM 1955 O2 EDO A 404 4.538 51.639 19.846 1.00 55.59 O HETATM 0 HO2 EDO A 404 4.275 52.422 19.999 1.00 55.59 H new HETATM 0 HO1 EDO A 404 5.890 53.165 18.875 1.00 55.73 H new HETATM 0 H22 EDO A 404 5.887 50.546 20.794 1.00 54.79 H new HETATM 0 H21 EDO A 404 5.939 52.057 21.178 1.00 54.79 H new HETATM 0 H12 EDO A 404 6.868 50.980 18.722 1.00 53.48 H new HETATM 0 H11 EDO A 404 7.778 51.621 19.814 1.00 53.48 H new HETATM 1956 C1 EDO A 405 1.137 50.126 -3.539 1.00 58.26 C HETATM 1957 O1 EDO A 405 2.350 49.351 -3.477 1.00 59.38 O HETATM 1958 C2 EDO A 405 -0.013 49.330 -2.931 1.00 58.50 C HETATM 1959 O2 EDO A 405 -1.153 50.175 -2.711 1.00 57.41 O HETATM 0 HO2 EDO A 405 -1.598 49.882 -2.061 1.00 57.41 H new HETATM 0 HO1 EDO A 405 2.981 49.791 -3.814 1.00 59.38 H new HETATM 0 H22 EDO A 405 -0.255 48.600 -3.522 1.00 58.50 H new HETATM 0 H21 EDO A 405 0.269 48.934 -2.092 1.00 58.50 H new HETATM 0 H12 EDO A 405 1.252 50.962 -3.060 1.00 58.26 H new HETATM 0 H11 EDO A 405 0.934 50.352 -4.460 1.00 58.26 H new HETATM 1960 C1 EDO A 406 12.153 35.800 23.554 1.00 45.44 C HETATM 1961 O1 EDO A 406 13.433 36.396 23.309 1.00 45.01 O HETATM 1962 C2 EDO A 406 12.069 34.465 22.824 1.00 44.36 C HETATM 1963 O2 EDO A 406 12.374 34.730 21.456 1.00 42.98 O HETATM 0 HO2 EDO A 406 11.662 34.764 21.011 1.00 42.98 H new HETATM 0 HO1 EDO A 406 13.635 36.900 23.950 1.00 45.01 H new HETATM 0 H22 EDO A 406 12.695 33.826 23.200 1.00 44.36 H new HETATM 0 H21 EDO A 406 11.183 34.079 22.912 1.00 44.36 H new HETATM 0 H12 EDO A 406 12.023 35.668 24.506 1.00 45.44 H new HETATM 0 H11 EDO A 406 11.446 36.391 23.251 1.00 45.44 H new HETATM 1964 C1 EDO A 407 13.092 52.607 6.837 1.00 67.24 C HETATM 1965 O1 EDO A 407 13.423 51.580 5.904 1.00 67.19 O HETATM 1966 C2 EDO A 407 14.197 53.650 6.838 1.00 67.97 C HETATM 1967 O2 EDO A 407 13.594 54.937 6.677 1.00 69.53 O HETATM 0 HO2 EDO A 407 14.191 55.528 6.677 1.00 69.53 H new HETATM 0 HO1 EDO A 407 12.732 51.143 5.711 1.00 67.19 H new HETATM 0 H22 EDO A 407 14.698 53.612 7.668 1.00 67.97 H new HETATM 0 H21 EDO A 407 14.825 53.478 6.119 1.00 67.97 H new HETATM 0 H12 EDO A 407 12.245 53.016 6.598 1.00 67.24 H new HETATM 0 H11 EDO A 407 12.985 52.231 7.725 1.00 67.24 H new HETATM 1968 C1 EDO A 408 -1.646 50.292 16.369 1.00 43.18 C HETATM 1969 O1 EDO A 408 -0.632 49.476 15.765 1.00 43.31 O HETATM 1970 C2 EDO A 408 -2.137 49.611 17.646 1.00 42.09 C HETATM 1971 O2 EDO A 408 -1.153 49.752 18.678 1.00 43.04 O HETATM 0 HO2 EDO A 408 -0.386 49.745 18.337 1.00 43.04 H new HETATM 0 HO1 EDO A 408 0.090 49.904 15.732 1.00 43.31 H new HETATM 0 H22 EDO A 408 -2.976 50.005 17.931 1.00 42.09 H new HETATM 0 H21 EDO A 408 -2.308 48.671 17.477 1.00 42.09 H new HETATM 0 H12 EDO A 408 -1.291 51.171 16.573 1.00 43.18 H new HETATM 0 H11 EDO A 408 -2.384 50.420 15.753 1.00 43.18 H new HETATM 1972 C1 EDO A 409 14.359 39.007 25.381 1.00 48.45 C HETATM 1973 O1 EDO A 409 13.518 37.884 25.596 1.00 47.75 O HETATM 1974 C2 EDO A 409 15.809 38.571 25.267 1.00 49.36 C HETATM 1975 O2 EDO A 409 16.546 39.137 26.355 1.00 49.53 O HETATM 0 HO2 EDO A 409 17.336 38.853 26.336 1.00 49.53 H new HETATM 0 HO1 EDO A 409 12.720 38.139 25.658 1.00 47.75 H new HETATM 0 H22 EDO A 409 15.871 37.603 25.286 1.00 49.36 H new HETATM 0 H21 EDO A 409 16.182 38.863 24.420 1.00 49.36 H new HETATM 0 H12 EDO A 409 14.090 39.469 24.572 1.00 48.45 H new HETATM 0 H11 EDO A 409 14.261 39.636 26.113 1.00 48.45 H new HETATM 1976 C1 EDO A 410 5.990 35.034 10.334 1.00 66.24 C HETATM 1977 O1 EDO A 410 6.475 35.078 11.682 1.00 64.43 O HETATM 1978 C2 EDO A 410 4.806 34.086 10.199 1.00 66.00 C HETATM 1979 O2 EDO A 410 4.519 33.916 8.806 1.00 67.55 O HETATM 0 HO2 EDO A 410 3.868 33.393 8.716 1.00 67.55 H new HETATM 0 HO1 EDO A 410 7.300 35.236 11.678 1.00 64.43 H new HETATM 0 H22 EDO A 410 5.010 33.231 10.608 1.00 66.00 H new HETATM 0 H21 EDO A 410 4.032 34.444 10.662 1.00 66.00 H new HETATM 0 H12 EDO A 410 5.727 35.925 10.054 1.00 66.24 H new HETATM 0 H11 EDO A 410 6.703 34.750 9.741 1.00 66.24 H new HETATM 1980 C1 EDO A 411 2.947 45.642 0.555 1.00 44.34 C HETATM 1981 O1 EDO A 411 1.944 46.071 -0.362 1.00 46.81 O HETATM 1982 C2 EDO A 411 3.271 44.148 0.473 1.00 46.22 C HETATM 1983 O2 EDO A 411 2.099 43.348 0.257 1.00 43.03 O HETATM 0 HO2 EDO A 411 2.081 42.721 0.816 1.00 43.03 H new HETATM 0 HO1 EDO A 411 1.488 45.410 -0.609 1.00 46.81 H new HETATM 0 H22 EDO A 411 3.902 43.995 -0.248 1.00 46.22 H new HETATM 0 H21 EDO A 411 3.705 43.868 1.294 1.00 46.22 H new HETATM 0 H12 EDO A 411 3.758 46.148 0.392 1.00 44.34 H new HETATM 0 H11 EDO A 411 2.658 45.851 1.457 1.00 44.34 H new HETATM 1984 C1 EDO A 412 48.051 16.071 18.937 1.00 63.05 C HETATM 1985 O1 EDO A 412 48.164 16.379 20.333 1.00 64.49 O HETATM 1986 C2 EDO A 412 49.298 16.549 18.193 1.00 62.73 C HETATM 1987 O2 EDO A 412 49.820 17.764 18.745 1.00 60.64 O HETATM 0 HO2 EDO A 412 50.548 17.606 19.133 1.00 60.64 H new HETATM 0 HO1 EDO A 412 48.744 16.976 20.442 1.00 64.49 H new HETATM 0 H22 EDO A 412 49.979 15.859 18.229 1.00 62.73 H new HETATM 0 H21 EDO A 412 49.083 16.686 17.257 1.00 62.73 H new HETATM 0 H12 EDO A 412 47.940 15.115 18.817 1.00 63.05 H new HETATM 0 H11 EDO A 412 47.262 16.496 18.567 1.00 63.05 H new HETATM 1988 O HOH A2001 -16.508 49.618 -8.014 1.00 67.75 O HETATM 1989 O HOH A2002 -15.428 48.335 -10.130 1.00 90.95 O HETATM 1990 O HOH A2003 -14.792 49.103 -13.427 1.00 65.27 O HETATM 1991 O HOH A2004 -14.179 44.480 -3.856 1.00 89.02 O HETATM 1992 O HOH A2005 -17.186 52.418 -2.366 1.00 71.31 O HETATM 1993 O HOH A2006 -17.322 54.360 -3.917 1.00 72.52 O HETATM 1994 O HOH A2007 -17.097 52.301 -2.425 1.00 72.34 O HETATM 1995 O HOH A2008 -17.874 54.548 -3.330 1.00 68.85 O HETATM 1996 O HOH A2009 -15.364 52.134 -7.609 1.00 69.25 O HETATM 1997 O HOH A2010 -13.750 55.733 -5.128 1.00 63.20 O HETATM 1998 O HOH A2011 -12.920 53.386 -7.557 1.00 58.88 O HETATM 1999 O HOH A2012 -12.115 45.010 4.113 1.00 65.99 O HETATM 2000 O HOH A2013 -8.653 45.976 -1.175 1.00 68.61 O HETATM 2001 O HOH A2014 -14.248 49.580 -0.589 1.00 51.49 O HETATM 2002 O HOH A2015 -11.459 47.629 2.573 1.00 52.87 O HETATM 2003 O HOH A2016 -7.167 54.223 -5.293 1.00 40.06 O HETATM 2004 O HOH A2017 15.348 43.525 5.308 1.00 67.90 O HETATM 2005 O HOH A2018 16.650 52.437 8.712 1.00 66.80 O HETATM 2006 O HOH A2019 7.679 57.785 10.992 1.00 59.87 O HETATM 2007 O HOH A2020 -14.948 52.390 7.136 1.00 71.70 O HETATM 2008 O HOH A2021 -5.957 47.581 -3.474 1.00 41.30 O HETATM 2009 O HOH A2022 18.165 48.154 4.876 1.00 70.82 O HETATM 2010 O HOH A2023 24.509 39.025 8.736 1.00 72.91 O HETATM 2011 O HOH A2024 24.642 39.295 25.335 1.00 73.38 O HETATM 2012 O HOH A2025 23.820 43.694 23.042 1.00 71.72 O HETATM 2013 O HOH A2026 -0.973 60.516 21.609 1.00 69.34 O HETATM 2014 O HOH A2027 21.750 47.926 21.753 1.00 71.86 O HETATM 2015 O HOH A2028 13.756 44.677 3.798 1.00 48.67 O HETATM 2016 O HOH A2029 9.580 56.340 11.984 1.00 55.09 O HETATM 2017 O HOH A2030 12.665 56.533 14.112 1.00 67.07 O HETATM 2018 O HOH A2031 14.173 54.584 14.826 1.00 62.04 O HETATM 2019 O HOH A2032 16.015 50.087 9.621 1.00 44.69 O HETATM 2020 O HOH A2033 -10.033 45.910 14.372 1.00 52.69 O HETATM 2021 O HOH A2034 -14.083 50.454 8.765 1.00 66.19 O HETATM 2022 O HOH A2035 19.438 50.069 15.795 1.00 63.21 O HETATM 2023 O HOH A2036 -8.568 58.892 5.253 1.00 56.87 O HETATM 2024 O HOH A2037 -9.857 57.078 -3.570 1.00 62.76 O HETATM 2025 O HOH A2038 -7.055 60.372 3.727 1.00 68.53 O HETATM 2026 O HOH A2039 -8.280 54.206 11.844 1.00 58.49 O HETATM 2027 O HOH A2040 23.217 40.911 7.828 1.00 72.58 O HETATM 2028 O HOH A2041 23.992 46.257 10.651 1.00 50.28 O HETATM 2029 O HOH A2042 20.760 41.001 6.789 1.00 88.76 O HETATM 2030 O HOH A2043 19.860 38.668 9.572 1.00 44.68 O HETATM 2031 O HOH A2044 16.974 45.353 6.482 1.00 50.65 O HETATM 2032 O HOH A2045 22.387 47.868 9.240 1.00 61.67 O HETATM 2033 O HOH A2046 -4.894 51.328 17.589 1.00 89.09 O HETATM 2034 O HOH A2047 -7.780 52.454 14.792 1.00 67.44 O HETATM 2035 O HOH A2048 -10.312 48.158 19.016 1.00 57.54 O HETATM 2036 O HOH A2049 -6.017 51.074 19.964 1.00 69.29 O HETATM 2037 O HOH A2050 25.681 42.834 15.931 1.00 60.50 O HETATM 2038 O HOH A2051 6.537 31.218 23.499 1.00 54.30 O HETATM 2039 O HOH A2052 23.756 40.791 23.691 1.00 56.99 O HETATM 2040 O HOH A2053 -2.560 39.656 12.763 1.00 52.27 O HETATM 2041 O HOH A2054 19.905 42.891 26.545 1.00 66.17 O HETATM 2042 O HOH A2055 -1.979 57.332 15.095 1.00 67.29 O HETATM 2043 O HOH A2056 1.783 60.782 16.223 1.00 89.43 O HETATM 2044 O HOH A2057 -1.092 58.012 17.500 1.00 65.90 O HETATM 2045 O HOH A2058 3.408 57.445 14.203 1.00 66.17 O HETATM 2046 O HOH A2059 -2.448 53.548 18.029 1.00 64.03 O HETATM 2047 O HOH A2060 33.843 0.843 10.655 1.00 57.16 O HETATM 2048 O HOH A2061 34.704 3.168 12.851 1.00 56.65 O HETATM 2049 O HOH A2062 17.321 36.097 28.776 1.00 74.13 O HETATM 2050 O HOH A2063 18.354 39.819 19.471 1.00 31.45 O HETATM 2051 O HOH A2064 25.488 45.539 15.641 1.00 60.50 O HETATM 2052 O HOH A2065 6.884 58.141 14.390 1.00 61.82 O HETATM 2053 O HOH A2066 13.276 52.840 18.687 1.00 59.22 O HETATM 2054 O HOH A2067 22.666 7.615 6.998 1.00 61.62 O HETATM 2055 O HOH A2068 21.309 47.264 18.774 1.00 59.33 O HETATM 2056 O HOH A2069 19.402 48.910 18.266 1.00 72.50 O HETATM 2057 O HOH A2070 18.028 50.067 20.403 1.00 60.12 O HETATM 2058 O HOH A2071 20.934 45.974 23.067 1.00 42.95 O HETATM 2059 O HOH A2072 59.683 29.452 -0.991 1.00 75.27 O HETATM 2060 O HOH A2073 15.926 50.077 12.071 1.00 43.54 O HETATM 2061 O HOH A2074 15.274 52.573 12.651 1.00 50.49 O HETATM 2062 O HOH A2075 10.315 50.957 6.142 1.00 32.87 O HETATM 2063 O HOH A2076 12.087 56.769 10.552 1.00 54.09 O HETATM 2064 O HOH A2077 -3.326 42.210 11.443 1.00 42.80 O HETATM 2065 O HOH A2078 -4.945 41.132 9.592 1.00 47.78 O HETATM 2066 O HOH A2079 -9.295 47.128 11.320 1.00 53.70 O HETATM 2067 O HOH A2080 -12.210 48.807 10.009 1.00 57.99 O HETATM 2068 O HOH A2081 -9.456 51.527 12.681 1.00 57.12 O HETATM 2069 O HOH A2082 5.640 56.536 4.058 1.00 57.23 O HETATM 2070 O HOH A2083 5.517 56.599 8.068 1.00 62.22 O HETATM 2071 O HOH A2084 11.111 56.644 5.646 1.00 56.33 O HETATM 2072 O HOH A2085 13.991 55.323 3.236 1.00 53.74 O HETATM 2073 O HOH A2086 12.260 57.840 3.249 1.00 64.19 O HETATM 2074 O HOH A2087 7.119 54.047 0.480 1.00 40.94 O HETATM 2075 O HOH A2088 12.001 50.012 3.139 1.00 65.62 O HETATM 2076 O HOH A2089 19.032 35.607 6.836 1.00 66.70 O HETATM 2077 O HOH A2090 -1.333 58.721 1.972 1.00 42.75 O HETATM 2078 O HOH A2091 -0.484 56.239 5.514 1.00 41.88 O HETATM 2079 O HOH A2092 23.466 36.982 9.987 1.00 71.48 O HETATM 2080 O HOH A2093 -3.148 52.381 -0.396 1.00 33.69 O HETATM 2081 O HOH A2094 3.963 55.838 -2.116 1.00 30.90 O HETATM 2082 O HOH A2095 32.886 35.332 22.963 1.00 66.71 O HETATM 2083 O HOH A2096 -9.888 56.891 3.540 1.00 45.44 O HETATM 2084 O HOH A2097 -9.133 54.341 -3.466 1.00 40.08 O HETATM 2085 O HOH A2098 31.128 15.149 15.302 1.00 72.89 O HETATM 2086 O HOH A2099 27.036 16.214 15.984 1.00 81.04 O HETATM 2087 O HOH A2100 -4.290 59.864 3.138 1.00 59.26 O HETATM 2088 O HOH A2101 -1.305 58.217 4.741 1.00 56.76 O HETATM 2089 O HOH A2102 -5.999 55.260 11.071 1.00 51.29 O HETATM 2090 O HOH A2103 -8.158 58.120 7.908 1.00 57.75 O HETATM 2091 O HOH A2104 -0.733 56.749 8.102 1.00 34.08 O HETATM 2092 O HOH A2105 -5.421 52.576 15.435 1.00 45.92 O HETATM 2093 O HOH A2106 -7.247 49.066 18.977 1.00 48.83 O HETATM 2094 O HOH A2107 4.374 54.242 7.758 1.00 39.36 O HETATM 2095 O HOH A2108 1.447 55.724 10.585 1.00 44.55 O HETATM 2096 O HOH A2109 56.384 13.367 16.810 1.00 71.79 O HETATM 2097 O HOH A2110 2.075 34.750 11.777 1.00 46.66 O HETATM 2098 O HOH A2111 5.440 34.735 16.641 1.00 28.56 O HETATM 2099 O HOH A2112 48.958 20.140 24.882 1.00 80.48 O HETATM 2100 O HOH A2113 47.684 21.081 27.018 1.00 70.10 O HETATM 2101 O HOH A2114 44.566 35.939 24.188 1.00 78.00 O HETATM 2102 O HOH A2115 10.260 32.064 12.449 1.00 33.74 O HETATM 2103 O HOH A2116 48.490 38.536 13.249 1.00 65.81 O HETATM 2104 O HOH A2117 50.476 33.497 15.019 1.00 69.30 O HETATM 2105 O HOH A2118 2.274 31.238 21.616 1.00 54.81 O HETATM 2106 O HOH A2119 9.343 31.147 25.178 1.00 72.86 O HETATM 2107 O HOH A2120 52.634 32.190 16.446 1.00 62.56 O HETATM 2108 O HOH A2121 51.774 24.536 20.664 1.00 56.45 O HETATM 2109 O HOH A2122 0.331 38.602 12.521 1.00 40.30 O HETATM 2110 O HOH A2123 62.244 26.453 10.827 1.00 84.93 O HETATM 2111 O HOH A2124 64.044 21.742 0.756 1.00 68.36 O HETATM 2112 O HOH A2125 4.757 47.065 21.381 1.00 60.93 O HETATM 2113 O HOH A2126 1.686 45.033 21.605 1.00 39.60 O HETATM 2114 O HOH A2127 0.806 49.105 21.745 1.00 51.09 O HETATM 2115 O HOH A2128 3.082 53.633 22.222 1.00 75.13 O HETATM 2116 O HOH A2129 -0.605 53.895 13.899 1.00 55.03 O HETATM 2117 O HOH A2130 0.843 57.289 15.736 1.00 60.22 O HETATM 2118 O HOH A2131 -1.490 54.387 15.892 1.00 63.21 O HETATM 2119 O HOH A2132 -0.790 55.506 21.239 1.00 89.60 O HETATM 2120 O HOH A2133 36.337 1.416 11.212 1.00 79.28 O HETATM 2121 O HOH A2134 33.022 12.734 15.512 1.00 81.03 O HETATM 2122 O HOH A2135 27.086 14.884 13.834 1.00 76.53 O HETATM 2123 O HOH A2136 8.973 55.915 15.167 1.00 60.08 O HETATM 2124 O HOH A2137 11.185 51.747 18.156 1.00 53.17 O HETATM 2125 O HOH A2138 23.264 8.017 2.717 1.00 59.47 O HETATM 2126 O HOH A2139 15.442 50.626 20.750 1.00 57.19 O HETATM 2127 O HOH A2140 25.959 25.273 4.730 1.00 63.31 O HETATM 2128 O HOH A2141 16.631 47.520 26.484 1.00 67.13 O HETATM 2129 O HOH A2142 54.380 38.433 2.733 1.00 64.93 O HETATM 2130 O HOH A2143 57.993 30.240 0.908 1.00 75.32 O HETATM 2131 O HOH A2144 10.556 33.481 25.947 1.00 34.28 O HETATM 2132 O HOH A2145 20.139 34.611 25.725 1.00 57.30 O HETATM 2133 O HOH A2146 21.492 31.752 23.899 1.00 63.26 O HETATM 2134 O HOH A2147 54.203 28.001 -3.951 1.00 66.40 O HETATM 2135 O HOH A2148 51.175 29.829 -4.152 1.00 78.78 O HETATM 2136 O HOH A2149 14.220 28.848 25.261 1.00 57.01 O HETATM 2137 O HOH A2150 17.494 30.943 26.311 1.00 55.16 O HETATM 2138 O HOH A2151 20.052 29.138 23.096 1.00 66.51 O HETATM 2139 O HOH A2152 19.900 31.233 7.897 1.00 71.73 O HETATM 2140 O HOH A2153 19.997 30.202 11.955 1.00 71.40 O HETATM 2141 O HOH A2154 38.114 -0.440 12.037 1.00 57.30 O HETATM 2142 O HOH A2155 36.263 -3.870 2.005 1.00 55.08 O HETATM 2143 O HOH A2156 33.476 -2.372 3.696 1.00 61.94 O HETATM 2144 O HOH A2157 6.494 30.963 4.407 1.00 66.83 O HETATM 2145 O HOH A2158 2.181 40.286 11.587 1.00 34.02 O HETATM 2146 O HOH A2159 -0.459 37.526 5.429 1.00 51.33 O HETATM 2147 O HOH A2160 0.476 35.406 9.922 1.00 73.38 O HETATM 2148 O HOH A2161 34.751 26.263 -2.660 1.00 64.27 O HETATM 2149 O HOH A2162 51.277 34.361 -1.408 1.00 68.29 O HETATM 2150 O HOH A2163 35.448 34.989 7.591 1.00 74.46 O HETATM 2151 O HOH A2164 -2.618 45.035 10.948 1.00 37.51 O HETATM 2152 O HOH A2165 -6.535 43.349 9.584 1.00 50.61 O HETATM 2153 O HOH A2166 43.830 39.195 2.059 1.00 72.50 O HETATM 2154 O HOH A2167 -9.087 49.525 10.977 1.00 52.21 O HETATM 2155 O HOH A2168 -10.572 53.527 11.198 1.00 58.30 O HETATM 2156 O HOH A2169 -11.733 56.492 8.592 1.00 59.63 O HETATM 2157 O HOH A2170 -10.542 54.476 0.265 1.00 45.97 O HETATM 2158 O HOH A2171 -8.438 53.519 3.494 1.00 33.79 O HETATM 2159 O HOH A2172 -13.708 53.572 -0.346 1.00 63.13 O HETATM 2160 O HOH A2173 31.035 11.959 -6.596 1.00 70.42 O HETATM 2161 O HOH A2174 25.454 2.519 -0.240 1.00 57.66 O HETATM 2162 O HOH A2175 29.909 2.644 -2.383 1.00 56.58 O HETATM 2163 O HOH A2176 32.148 3.756 11.297 1.00 59.65 O HETATM 2164 O HOH A2177 -5.921 42.535 0.544 1.00 54.27 O HETATM 2165 O HOH A2178 -7.340 43.273 2.803 1.00 38.42 O HETATM 2166 O HOH A2179 -3.134 44.005 -0.226 1.00 50.49 O HETATM 2167 O HOH A2180 -1.243 46.262 -2.136 1.00 74.69 O HETATM 2168 O HOH A2181 3.978 38.473 3.987 1.00 31.96 O HETATM 2169 O HOH A2182 45.983 13.678 -1.423 1.00 59.85 O HETATM 2170 O HOH A2183 53.945 25.828 -5.588 1.00 68.39 O HETATM 2171 O HOH A2184 59.271 30.577 7.754 1.00 70.13 O HETATM 2172 O HOH A2185 18.923 38.317 7.479 1.00 55.68 O HETATM 2173 O HOH A2186 15.814 38.726 4.780 1.00 51.38 O HETATM 2174 O HOH A2187 23.212 37.630 13.001 1.00 68.40 O HETATM 2175 O HOH A2188 22.800 31.736 6.698 1.00 67.06 O HETATM 2176 O HOH A2189 21.967 31.302 13.798 1.00 52.63 O HETATM 2177 O HOH A2190 18.429 15.032 13.618 1.00 71.77 O HETATM 2178 O HOH A2191 20.402 12.228 7.794 1.00 62.39 O HETATM 2179 O HOH A2192 24.985 31.287 16.467 1.00 44.72 O HETATM 2180 O HOH A2193 25.168 34.102 24.398 1.00 53.49 O HETATM 2181 O HOH A2194 32.378 33.412 24.586 1.00 60.32 O HETATM 2182 O HOH A2195 29.714 27.965 23.697 1.00 58.62 O HETATM 2183 O HOH A2196 24.493 29.927 17.531 1.00 44.54 O HETATM 2184 O HOH A2197 25.717 23.659 20.232 1.00 84.74 O HETATM 2185 O HOH A2198 26.515 21.262 18.030 1.00 62.25 O HETATM 2186 O HOH A2199 26.182 29.513 22.958 1.00 68.17 O HETATM 2187 O HOH A2200 29.870 16.585 16.939 1.00 59.34 O HETATM 2188 O HOH A2201 33.446 21.672 22.923 1.00 61.57 O HETATM 2189 O HOH A2202 32.440 29.504 25.510 1.00 53.05 O HETATM 2190 O HOH A2203 37.346 25.229 29.308 1.00 62.55 O HETATM 2191 O HOH A2204 32.558 18.384 25.916 1.00 84.79 O HETATM 2192 O HOH A2205 43.985 19.596 25.312 1.00 67.85 O HETATM 2193 O HOH A2206 42.765 22.585 27.702 1.00 57.05 O HETATM 2194 O HOH A2207 42.002 16.381 24.261 1.00 38.52 O HETATM 2195 O HOH A2208 35.431 14.094 18.258 1.00 58.12 O HETATM 2196 O HOH A2209 36.964 12.196 19.282 1.00 90.09 O HETATM 2197 O HOH A2210 36.998 15.128 23.017 1.00 57.17 O HETATM 2198 O HOH A2211 41.290 14.526 21.944 1.00 43.79 O HETATM 2199 O HOH A2212 43.017 11.187 19.320 1.00 67.63 O HETATM 2200 O HOH A2213 41.761 11.258 15.341 1.00 36.74 O HETATM 2201 O HOH A2214 43.493 14.091 20.158 1.00 51.13 O HETATM 2202 O HOH A2215 43.635 10.334 14.224 1.00 53.73 O HETATM 2203 O HOH A2216 52.955 14.131 14.277 1.00 69.42 O HETATM 2204 O HOH A2217 49.259 13.624 17.227 1.00 77.54 O HETATM 2205 O HOH A2218 55.350 14.091 11.299 1.00 50.35 O HETATM 2206 O HOH A2219 64.340 17.544 3.318 1.00 72.42 O HETATM 2207 O HOH A2220 62.353 15.613 6.961 1.00 56.55 O HETATM 2208 O HOH A2221 59.021 14.169 8.118 1.00 47.52 O HETATM 2209 O HOH A2222 60.308 15.445 12.578 1.00 57.93 O HETATM 2210 O HOH A2223 60.176 18.974 11.180 1.00 73.65 O HETATM 2211 O HOH A2224 57.838 13.901 10.497 1.00 60.55 O HETATM 2212 O HOH A2225 60.388 16.590 9.531 1.00 76.24 O HETATM 2213 O HOH A2226 53.621 15.498 16.443 1.00 61.72 O HETATM 2214 O HOH A2227 53.071 15.827 12.397 1.00 39.33 O HETATM 2215 O HOH A2228 49.816 19.246 21.686 1.00 88.00 O HETATM 2216 O HOH A2229 45.079 23.409 26.454 1.00 62.99 O HETATM 2217 O HOH A2230 45.288 21.412 24.261 1.00 47.86 O HETATM 2218 O HOH A2231 47.719 28.505 23.102 1.00 50.79 O HETATM 2219 O HOH A2232 45.510 33.830 25.422 1.00 76.15 O HETATM 2220 O HOH A2233 39.675 34.621 21.895 1.00 60.34 O HETATM 2221 O HOH A2234 45.811 29.358 25.333 1.00 53.03 O HETATM 2222 O HOH A2235 43.874 30.056 28.559 1.00 68.88 O HETATM 2223 O HOH A2236 42.868 37.576 14.927 1.00 57.83 O HETATM 2224 O HOH A2237 41.640 28.975 16.855 1.00 42.27 O HETATM 2225 O HOH A2238 45.783 36.670 18.410 1.00 66.18 O HETATM 2226 O HOH A2239 48.293 35.778 18.242 1.00 72.33 O HETATM 2227 O HOH A2240 48.979 36.473 15.227 1.00 77.43 O HETATM 2228 O HOH A2241 40.389 35.858 18.191 1.00 59.39 O HETATM 2229 O HOH A2242 36.441 36.428 14.548 1.00 58.12 O HETATM 2230 O HOH A2243 31.253 34.507 19.819 1.00 59.78 O HETATM 2231 O HOH A2244 35.541 34.916 19.252 1.00 67.78 O HETATM 2232 O HOH A2245 39.426 33.589 24.258 1.00 77.24 O HETATM 2233 O HOH A2246 44.325 27.836 26.817 1.00 70.74 O HETATM 2234 O HOH A2247 37.649 28.891 27.714 1.00 71.42 O HETATM 2235 O HOH A2248 50.729 26.926 22.682 1.00 64.80 O HETATM 2236 O HOH A2249 52.907 30.531 18.365 1.00 64.81 O HETATM 2237 O HOH A2250 50.412 24.822 18.353 1.00 45.73 O HETATM 2238 O HOH A2251 56.086 22.139 14.971 1.00 56.03 O HETATM 2239 O HOH A2252 62.916 24.458 9.113 1.00 73.20 O HETATM 2240 O HOH A2253 65.313 21.722 3.176 1.00 64.40 O HETATM 2241 O HOH A2254 63.171 23.080 11.272 1.00 72.81 O HETATM 2242 O HOH A2255 62.558 19.076 -0.189 1.00 50.35 O HETATM 2243 O HOH A2256 17.262 51.552 5.284 1.00 72.57 O HETATM 2244 O HOH A2257 50.508 18.240 11.146 1.00 36.45 O HETATM 2245 O HOH A2258 51.323 13.892 5.025 1.00 40.95 O HETATM 2246 O HOH A2259 45.828 10.130 7.497 1.00 36.95 O HETATM 2247 O HOH A2260 40.589 6.841 16.177 1.00 55.07 O HETATM 2248 O HOH A2261 42.803 6.728 14.680 1.00 61.65 O HETATM 2249 O HOH A2262 38.955 7.298 9.747 1.00 31.51 O HETATM 2250 O HOH A2263 39.955 9.503 16.709 1.00 49.82 O HETATM 2251 O HOH A2264 38.248 4.202 11.689 1.00 73.25 O HETATM 2252 O HOH A2265 33.121 9.937 14.744 1.00 58.70 O HETATM 2253 O HOH A2266 26.329 11.222 11.716 1.00 65.48 O HETATM 2254 O HOH A2267 27.024 9.897 13.873 1.00 70.09 O HETATM 2255 O HOH A2268 29.464 13.502 14.042 1.00 49.78 O HETATM 2256 O HOH A2269 25.755 14.754 9.303 1.00 47.17 O HETATM 2257 O HOH A2270 21.585 14.844 3.753 1.00 61.51 O HETATM 2258 O HOH A2271 22.278 11.020 1.706 1.00 69.16 O HETATM 2259 O HOH A2272 24.807 17.068 -1.915 1.00 66.61 O HETATM 2260 O HOH A2273 24.969 19.688 -1.312 1.00 75.88 O HETATM 2261 O HOH A2274 24.060 20.103 4.673 1.00 51.61 O HETATM 2262 O HOH A2275 28.036 24.218 6.544 1.00 56.54 O HETATM 2263 O HOH A2276 28.704 28.302 5.383 1.00 59.19 O HETATM 2264 O HOH A2277 27.900 28.214 10.355 1.00 65.87 O HETATM 2265 O HOH A2278 29.461 27.944 13.128 1.00 53.57 O HETATM 2266 O HOH A2279 54.259 32.571 8.822 1.00 59.58 O HETATM 2267 O HOH A2280 58.596 31.242 3.711 1.00 63.13 O HETATM 2268 O HOH A2281 52.511 36.201 2.525 1.00 66.55 O HETATM 2269 O HOH A2282 55.485 37.957 5.729 1.00 74.76 O HETATM 2270 O HOH A2283 55.266 30.986 -0.567 1.00 70.18 O HETATM 2271 O HOH A2284 55.486 32.779 1.597 1.00 70.27 O HETATM 2272 O HOH A2285 53.008 30.079 -2.275 1.00 68.13 O HETATM 2273 O HOH A2286 45.887 16.931 -3.242 1.00 62.07 O HETATM 2274 O HOH A2287 38.847 1.517 9.871 1.00 54.73 O HETATM 2275 O HOH A2288 38.513 -5.423 1.335 1.00 52.45 O HETATM 2276 O HOH A2289 44.068 -3.320 2.836 1.00 50.48 O HETATM 2277 O HOH A2290 36.645 -3.364 5.198 1.00 31.03 O HETATM 2278 O HOH A2291 40.809 4.176 10.956 1.00 42.53 O HETATM 2279 O HOH A2292 37.846 -3.788 -0.754 1.00 53.95 O HETATM 2280 O HOH A2293 35.595 2.744 -4.185 1.00 55.45 O HETATM 2281 O HOH A2294 32.868 -1.571 -1.665 1.00 62.46 O HETATM 2282 O HOH A2295 33.905 10.505 -3.719 1.00 57.00 O HETATM 2283 O HOH A2296 34.365 16.500 -3.150 1.00 64.72 O HETATM 2284 O HOH A2297 40.085 18.687 -5.548 1.00 63.37 O HETATM 2285 O HOH A2298 36.528 16.925 -3.799 1.00 42.98 O HETATM 2286 O HOH A2299 37.549 25.171 -4.612 1.00 70.82 O HETATM 2287 O HOH A2300 40.368 26.598 -6.223 1.00 78.88 O HETATM 2288 O HOH A2301 38.285 27.952 -5.102 1.00 75.95 O HETATM 2289 O HOH A2302 39.527 31.011 -4.748 1.00 81.51 O HETATM 2290 O HOH A2303 49.296 34.966 -0.117 1.00 67.53 O HETATM 2291 O HOH A2304 48.579 29.744 -5.432 1.00 62.67 O HETATM 2292 O HOH A2305 46.366 37.010 -6.148 1.00 66.20 O HETATM 2293 O HOH A2306 47.129 36.982 -3.410 1.00 68.52 O HETATM 2294 O HOH A2307 46.858 35.458 -0.636 1.00 65.99 O HETATM 2295 O HOH A2308 35.788 34.269 4.474 1.00 72.69 O HETATM 2296 O HOH A2309 45.933 37.922 1.121 1.00 76.49 O HETATM 2297 O HOH A2310 51.578 36.171 10.642 1.00 56.69 O HETATM 2298 O HOH A2311 48.201 41.854 8.899 1.00 64.99 O HETATM 2299 O HOH A2312 48.667 40.075 5.201 1.00 71.39 O HETATM 2300 O HOH A2313 51.481 40.416 9.494 1.00 74.93 O HETATM 2301 O HOH A2314 37.552 37.723 9.513 1.00 69.46 O HETATM 2302 O HOH A2315 42.262 39.667 4.487 1.00 74.56 O HETATM 2303 O HOH A2316 40.675 36.261 15.708 1.00 56.83 O HETATM 2304 O HOH A2317 38.965 31.526 1.209 1.00 77.92 O HETATM 2305 O HOH A2318 37.333 33.247 2.780 1.00 57.15 O HETATM 2306 O HOH A2319 30.554 29.914 3.930 1.00 62.67 O HETATM 2307 O HOH A2320 34.938 27.496 -0.262 1.00 49.42 O HETATM 2308 O HOH A2321 31.172 22.554 -1.407 1.00 55.07 O HETATM 2309 O HOH A2322 32.921 20.646 -2.293 1.00 44.67 O HETATM 2310 O HOH A2323 24.601 7.930 0.380 1.00 49.41 O HETATM 2311 O HOH A2324 22.419 8.809 -3.319 1.00 58.74 O HETATM 2312 O HOH A2325 26.475 15.844 -3.740 1.00 58.97 O HETATM 2313 O HOH A2326 21.803 16.442 1.795 1.00 65.96 O HETATM 2314 O HOH A2327 22.607 12.345 -4.995 1.00 78.80 O HETATM 2315 O HOH A2328 25.551 4.378 -2.323 1.00 62.96 O HETATM 2316 O HOH A2329 27.795 12.373 -6.098 1.00 65.05 O HETATM 2317 O HOH A2330 31.213 9.234 -4.166 1.00 71.42 O HETATM 2318 O HOH A2331 31.215 4.735 -0.828 1.00 48.25 O HETATM 2319 O HOH A2332 29.505 0.584 -0.779 1.00 59.12 O HETATM 2320 O HOH A2333 25.218 0.952 3.693 1.00 73.99 O HETATM 2321 O HOH A2334 25.135 8.346 8.150 1.00 62.74 O HETATM 2322 O HOH A2335 31.459 -0.062 7.584 1.00 53.22 O HETATM 2323 O HOH A2336 30.021 2.861 10.484 1.00 70.84 O HETATM 2324 O HOH A2337 31.513 -0.976 5.208 1.00 75.35 O HETATM 2325 O HOH A2338 31.596 -1.843 1.335 1.00 57.60 O HETATM 2326 O HOH A2339 31.001 7.542 4.885 1.00 39.83 O HETATM 2327 O HOH A2340 47.912 12.835 1.078 1.00 74.52 O HETATM 2328 O HOH A2341 47.707 15.474 -1.769 1.00 76.70 O HETATM 2329 O HOH A2342 47.913 19.970 -0.524 1.00 77.46 O HETATM 2330 O HOH A2343 48.283 20.845 -2.984 1.00 65.78 O HETATM 2331 O HOH A2344 50.142 23.525 -5.694 1.00 75.32 O HETATM 2332 O HOH A2345 54.872 23.073 -5.189 1.00 83.30 O HETATM 2333 O HOH A2346 55.102 19.904 -2.187 1.00 90.33 O HETATM 2334 O HOH A2347 62.389 23.263 -1.309 1.00 69.14 O HETATM 2335 O HOH A2348 60.811 30.049 5.639 1.00 76.90 O HETATM 2336 O HOH A2349 56.630 31.091 8.427 1.00 58.10 O HETATM 2337 O HOH A2350 60.599 30.076 10.209 1.00 66.27 O HETATM 2338 O HOH A2351 55.679 32.045 12.689 1.00 72.55 O HETATM 2339 O HOH A2352 59.180 31.674 12.292 1.00 74.38 O HETATM 2340 O HOH A2353 60.689 30.776 14.791 1.00 80.41 O HETATM 2341 O HOH A2354 53.005 31.953 11.099 1.00 41.89 O HETATM 2342 O HOH A2355 50.617 32.371 12.640 1.00 55.81 O HETATM 2343 O HOH A2356 25.842 23.139 14.509 1.00 66.18 O HETATM 2344 O HOH A2357 26.160 26.917 15.267 1.00 72.20 O HETATM 2345 O HOH A2358 27.080 25.784 9.094 1.00 75.21 O HETATM 2346 O HOH A2359 25.253 21.513 6.557 1.00 54.75 O HETATM 2347 O HOH A2360 23.790 16.442 7.945 1.00 68.04 O HETATM 2348 O HOH A2361 22.238 18.758 6.195 1.00 70.41 O HETATM 2349 O HOH A2362 21.715 14.297 8.761 1.00 65.55 O HETATM 2350 O HOH A2363 21.970 16.076 5.941 1.00 69.41 O HETATM 2351 O HOH A2364 25.687 14.154 11.844 1.00 70.49 O HETATM 2352 O HOH A2365 21.979 13.011 11.678 1.00 71.15 O HETATM 2353 O HOH A2366 17.055 19.460 10.315 1.00 76.93 O HETATM 2354 O HOH A2367 17.890 18.071 12.490 1.00 87.57 O HETATM 2355 O HOH A2368 -5.478 41.483 2.959 1.00 47.76 O HETATM 2356 O HOH A2369 -4.745 40.278 7.160 1.00 57.57 O HETATM 2357 O HOH A2370 34.140 16.058 20.339 1.00 67.94 O HETATM 2358 O HOH A2371 2.848 37.870 25.503 1.00 56.76 O HETATM 2359 O HOH A2372 9.009 54.304 19.081 1.00 68.97 O HETATM 2360 O HOH A2373 14.646 33.565 20.711 1.00 35.04 O HETATM 2361 O HOH A2374 15.137 53.015 3.732 1.00 72.16 O HETATM 2362 O HOH A2375 -2.535 50.953 21.091 1.00 48.03 O HETATM 2363 O HOH A2376 12.541 37.180 27.555 1.00 42.92 O HETATM 2364 O HOH A2377 17.569 40.835 28.010 1.00 54.20 O HETATM 2365 O HOH A2378 5.028 34.931 6.335 1.00 52.30 O HETATM 2366 O HOH A2379 2.380 33.887 6.183 1.00 70.64 O HETATM 2367 O HOH A2380 5.411 32.951 12.951 1.00 73.15 O HETATM 2368 O HOH A2381 3.601 47.265 -2.165 1.00 51.61 O HETATM 2369 O HOH A2382 2.150 45.518 -2.705 1.00 64.23 O CONECT 23 1938 CONECT 28 1938 CONECT 245 1938 CONECT 246 1938 CONECT 262 1938 CONECT 591 1938 CONECT 726 1939 CONECT 764 1939 CONECT 788 1939 CONECT 970 1939 CONECT 992 1939 CONECT 1883 1939 CONECT 1884 1939 CONECT 1938 23 28 245 246 CONECT 1938 262 591 2158 CONECT 1939 726 764 788 970 CONECT 1939 992 1883 1884 CONECT 1940 1941 1942 CONECT 1941 1940 CONECT 1942 1940 1943 CONECT 1943 1942 CONECT 1944 1945 1946 CONECT 1945 1944 CONECT 1946 1944 1947 CONECT 1947 1946 CONECT 1948 1949 1950 CONECT 1949 1948 CONECT 1950 1948 1951 CONECT 1951 1950 CONECT 1952 1953 1954 CONECT 1953 1952 CONECT 1954 1952 1955 CONECT 1955 1954 CONECT 1956 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 CONECT 1959 1958 CONECT 1960 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 CONECT 1963 1962 CONECT 1964 1965 1966 CONECT 1965 1964 CONECT 1966 1964 1967 CONECT 1967 1966 CONECT 1968 1969 1970 CONECT 1969 1968 CONECT 1970 1968 1971 CONECT 1971 1970 CONECT 1972 1973 1974 CONECT 1973 1972 CONECT 1974 1972 1975 CONECT 1975 1974 CONECT 1976 1977 1978 CONECT 1977 1976 CONECT 1978 1976 1979 CONECT 1979 1978 CONECT 1980 1981 1982 CONECT 1981 1980 CONECT 1982 1980 1983 CONECT 1983 1982 CONECT 1984 1985 1986 CONECT 1985 1984 CONECT 1986 1984 1987 CONECT 1987 1986 CONECT 2158 1938 END