USER MOD reduce.3.24.130724 H: found=0, std=0, add=1454, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 28-SEP-05 2C2F TITLE DPS FROM DEINOCOCCUS RADIODURANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA-BINDING STRESS RESPONSE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DPS; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; SOURCE 3 ORGANISM_TAXID: 243230; SOURCE 4 STRAIN: R1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDEST14 KEYWDS DPS, IRON, DEINOCOCCUS RADIODURANS, DNA-BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR C.V.ROMAO,E.MITCHELL,S.MCSWEENEY REVDAT 3 24-FEB-09 2C2F 1 VERSN REVDAT 2 20-DEC-06 2C2F 1 JRNL REVDAT 1 26-JUL-06 2C2F 0 JRNL AUTH C.V.ROMAO,E.MITCHELL,S.MCSWEENEY JRNL TITL THE CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS JRNL TITL 2 DPS PROTEIN (DR2263) REVEALS THE PRESENCE OF A JRNL TITL 3 NOVEL METAL CENTRE IN THE N TERMINUS. JRNL REF J.BIOL.INORG.CHEM. V. 11 891 2006 JRNL REFN ISSN 0949-8257 JRNL PMID 16855817 JRNL DOI 10.1007/S00775-006-0142-5 REMARK 2 REMARK 2 RESOLUTION. 1.61 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) : 1.61 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 64.02 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 30939 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) : 0.132 REMARK 3 R VALUE (WORKING SET) : 0.131 REMARK 3 FREE R VALUE : 0.153 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1638 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.61 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.65 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2252 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.1560 REMARK 3 BIN FREE R VALUE SET COUNT : 120 REMARK 3 BIN FREE R VALUE : 0.1890 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1463 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 33 REMARK 3 SOLVENT ATOMS : 278 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.81 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.058 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.060 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.033 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.930 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.975 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.967 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1516 ; 0.020 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2056 ; 1.637 ; 1.955 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 179 ; 4.844 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 85 ;40.593 ;23.882 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 251 ;13.003 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;10.483 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 227 ; 0.122 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1169 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 696 ; 0.225 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1051 ; 0.307 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 191 ; 0.196 ; 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): 85 ; 0.192 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 47 ; 0.214 ; 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): 920 ; 1.088 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1453 ; 1.618 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 662 ; 2.548 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 603 ; 4.049 ; 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 : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. THE OCCUPANIES OF ATOMS HAVING OCCUPANCIES REMARK 3 LOWER THAN 1 WERE ESTIMATED FROM THEIR ATOMIC B-FACTORS. THE REMARK 3 FIRST 29 AMINO ACID RESIDUES WERE NOT MODELLED BECAUSE IT WAS REMARK 3 NOT POSSIBLE TO ALLOCATE THE ELECTRON DENSITY. REMARK 4 REMARK 4 2C2F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 28-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25800. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-SEP-04 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 8.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.934 REMARK 200 MONOCHROMATOR : DIAMOND REMARK 200 OPTICS : MULTI-LAYER MIRROR 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 : 32579 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 31.910 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 84.000 REMARK 200 R MERGE (I) : 0.09000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 56.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.64 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 84.70 REMARK 200 R MERGE FOR SHELL (I) : 0.57000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 11.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: AUTOSHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: DATA WERE COLLECTED REMOTE TO THE ANOMALOUS ABSORPTION REMARK 200 EDGES OF ZN AND FE. REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.6 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 200MM LITHIUM SULFATE, 100MM REMARK 280 TRIS-HCL PH8.5, 15% PEG4000 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 2 3 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z,-X,-Y REMARK 290 7555 -Z,-X,Y REMARK 290 8555 -Z,X,-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z,-X REMARK 290 11555 Y,-Z,-X REMARK 290 12555 -Y,-Z,X REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 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 GENERATING THE BIOMOLECULE 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: DODECAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC 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 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 4 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 5 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 5 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT3 5 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT1 6 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT2 6 0.000000 0.000000 -1.000000 90.61600 REMARK 350 BIOMT3 6 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 7 0.000000 0.000000 -1.000000 90.61600 REMARK 350 BIOMT2 7 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT3 7 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 8 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 8 0.000000 0.000000 -1.000000 90.61600 REMARK 350 BIOMT3 8 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT1 9 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 9 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT3 9 0.000000 0.000000 -1.000000 90.61600 REMARK 350 BIOMT1 10 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT2 10 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 10 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT1 11 0.000000 0.000000 -1.000000 90.61600 REMARK 350 BIOMT2 11 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 11 0.000000 -1.000000 0.000000 90.61600 REMARK 350 BIOMT1 12 -1.000000 0.000000 0.000000 90.61600 REMARK 350 BIOMT2 12 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 12 0.000000 0.000000 -1.000000 90.61600 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 FE FE A1209 LIES ON A SPECIAL POSITION. REMARK 375 FE FE A1210 LIES ON A SPECIAL POSITION. REMARK 375 S SO4 A1212 LIES ON A SPECIAL POSITION. REMARK 375 HOH A2076 LIES ON A SPECIAL POSITION. REMARK 375 HOH A2123 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 THR A 2 REMARK 465 LYS A 3 REMARK 465 LYS A 4 REMARK 465 SER A 5 REMARK 465 THR A 6 REMARK 465 LYS A 7 REMARK 465 SER A 8 REMARK 465 GLU A 9 REMARK 465 ALA A 10 REMARK 465 ALA A 11 REMARK 465 SER A 12 REMARK 465 LYS A 13 REMARK 465 THR A 14 REMARK 465 LYS A 15 REMARK 465 LYS A 16 REMARK 465 SER A 17 REMARK 465 GLY A 18 REMARK 465 VAL A 19 REMARK 465 PRO A 20 REMARK 465 GLU A 21 REMARK 465 THR A 22 REMARK 465 GLY A 23 REMARK 465 ALA A 24 REMARK 465 GLN A 25 REMARK 465 GLY A 26 REMARK 465 VAL A 27 REMARK 465 ARG A 28 REMARK 465 ALA A 29 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 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 HIS A 51 -126.29 55.51 REMARK 500 ASP A 203 116.71 -167.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 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 FE A1208 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 83 NE2 REMARK 620 2 ASP A 110 OD1 98.4 REMARK 620 3 ASP A 110 OD2 153.9 57.1 REMARK 620 4 GOL A1213B O3 88.7 169.2 114.4 REMARK 620 5 HOH A2133 O 89.9 86.0 80.4 85.8 REMARK 620 6 GLU A 114 OE2 96.6 89.3 92.2 98.0 172.5 REMARK 620 7 GOL A1213A O2 91.6 168.8 113.7 13.7 99.2 84.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 FE A1209 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 93 OD2 REMARK 620 2 ASP A 93 OD1 51.9 REMARK 620 3 ASP A 93 OD1 149.4 102.7 REMARK 620 4 ASP A 93 OD2 118.8 70.5 52.0 REMARK 620 5 ASP A 93 OD2 120.3 150.0 71.5 119.9 REMARK 620 6 ASP A 93 OD1 71.3 103.2 103.8 149.8 52.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 FE A1210 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 181 OD1 REMARK 620 2 ASP A 181 OD1 91.6 REMARK 620 3 HOH A2248 O 85.8 95.2 REMARK 620 4 ASP A 181 OD1 91.6 91.6 172.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A1211 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 55 OE2 REMARK 620 2 ASP A 36 OD2 93.3 REMARK 620 3 HIS A 39 NE2 115.4 102.4 REMARK 620 4 GLU A 55 OE1 53.3 145.4 87.1 REMARK 620 5 HIS A 50 NE2 110.1 112.5 119.6 90.1 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A1208 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A1209 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A1210 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A1211 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1212 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A1213 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A1214 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A1215 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2C2U RELATED DB: PDB REMARK 900 DPS FROM DEINOCOCCUS RADIODURANS DBREF 2C2F A 1 207 UNP Q9RS64 Q9RS64_DEIRA 1 207 SEQRES 1 A 207 MET THR LYS LYS SER THR LYS SER GLU ALA ALA SER LYS SEQRES 2 A 207 THR LYS LYS SER GLY VAL PRO GLU THR GLY ALA GLN GLY SEQRES 3 A 207 VAL ARG ALA GLY GLY ALA ASP HIS ALA ASP ALA ALA HIS SEQRES 4 A 207 LEU GLY THR VAL ASN ASN ALA LEU VAL ASN HIS HIS TYR SEQRES 5 A 207 LEU GLU GLU LYS GLU PHE GLN THR VAL ALA GLU THR LEU SEQRES 6 A 207 GLN ARG ASN LEU ALA THR THR ILE SER LEU TYR LEU LYS SEQRES 7 A 207 PHE LYS LYS TYR HIS TRP ASP ILE ARG GLY ARG PHE PHE SEQRES 8 A 207 ARG ASP LEU HIS LEU ALA TYR ASP GLU PHE ILE ALA GLU SEQRES 9 A 207 ILE PHE PRO SER ILE ASP GLU GLN ALA GLU ARG LEU VAL SEQRES 10 A 207 ALA LEU GLY GLY SER PRO LEU ALA ALA PRO ALA ASP LEU SEQRES 11 A 207 ALA ARG TYR SER THR VAL GLN VAL PRO GLN GLU THR VAL SEQRES 12 A 207 ARG ASP ALA ARG THR GLN VAL ALA ASP LEU VAL GLN ASP SEQRES 13 A 207 LEU SER ARG VAL GLY LYS GLY TYR ARG ASP ASP SER GLN SEQRES 14 A 207 ALA CYS ASP GLU ALA ASN ASP PRO VAL THR ALA ASP MET SEQRES 15 A 207 TYR ASN GLY TYR ALA ALA THR ILE ASP LYS ILE ARG TRP SEQRES 16 A 207 MET LEU GLN ALA ILE MET ASP ASP GLU ARG LEU ASP HET FE A1208 1 HET FE A1209 1 HET FE A1210 1 HET ZN A1211 1 HET SO4 A1212 5 HET GOL A1213 12 HET GOL A1214 6 HET GOL A1215 6 HETNAM FE FE (III) ION HETNAM ZN ZINC ION HETNAM SO4 SULFATE ION HETNAM GOL GLYCEROL FORMUL 2 FE 3(FE 3+) FORMUL 5 ZN ZN 2+ FORMUL 6 SO4 O4 S 2- FORMUL 7 GOL 3(C3 H8 O3) FORMUL 10 HOH *278(H2 O1) HELIX 1 1 ALA A 32 ALA A 35 5 4 HELIX 2 2 GLU A 54 ILE A 86 1 33 HELIX 3 3 PHE A 90 PHE A 106 1 17 HELIX 4 4 PRO A 107 LEU A 119 1 13 HELIX 5 5 ALA A 126 SER A 134 1 9 HELIX 6 6 ASP A 145 ALA A 174 1 30 HELIX 7 7 ASP A 176 ASP A 202 1 27 LINK NE AARG A 92 O1 GOL A1214 1555 1555 1.65 LINK FE FE A1208 OD1 ASP A 110 1555 2665 2.38 LINK FE FE A1208 OD2 ASP A 110 1555 2665 2.30 LINK FE FE A1208 O3 BGOL A1213 1555 1555 2.22 LINK FE FE A1208 O HOH A2133 1555 1555 2.11 LINK FE FE A1208 OE2 GLU A 114 1555 2665 1.99 LINK FE FE A1208 O2 AGOL A1213 1555 1555 2.22 LINK FE FE A1208 NE2 HIS A 83 1555 1555 2.15 LINK FE FE A1209 OD1 ASP A 93 1555 1555 2.49 LINK FE FE A1209 OD1 ASP A 93 1555 6566 2.47 LINK FE FE A1209 OD2 ASP A 93 1555 6566 2.47 LINK FE FE A1209 OD2 ASP A 93 1555 12665 2.43 LINK FE FE A1209 OD1 ASP A 93 1555 12665 2.46 LINK FE FE A1209 OD2 ASP A 93 1555 1555 2.46 LINK FE FE A1210 O HOH A2248 1555 9555 2.39 LINK FE FE A1210 OD1 ASP A 181 1555 1555 2.08 LINK FE FE A1210 O HOH A2248 1555 1555 2.39 LINK FE FE A1210 O HOH A2248 1555 5555 2.39 LINK FE FE A1210 OD1 ASP A 181 1555 5555 2.08 LINK FE FE A1210 OD1 ASP A 181 1555 9555 2.08 LINK ZN ZN A1211 NE2 HIS A 39 1555 1555 2.06 LINK ZN ZN A1211 OE1 GLU A 55 1555 1555 2.70 LINK ZN ZN A1211 NE2 HIS A 50 1555 1555 2.05 LINK ZN ZN A1211 OD2 ASP A 36 1555 1555 2.02 LINK ZN ZN A1211 OE2 GLU A 55 1555 1555 2.06 SITE *** AC1 5 HIS A 83 ASP A 110 GLU A 114 GOL A1213 SITE *** AC1 5 HOH A2133 SITE *** AC2 2 ASP A 93 HOH A2124 SITE *** AC3 3 ASP A 181 HOH A2248 HOH A2249 SITE *** AC4 4 ASP A 36 HIS A 39 HIS A 50 GLU A 55 SITE *** AC5 2 ARG A 89 ARG A 205 SITE *** AC6 14 HIS A 83 HIS A 95 LEU A 96 ASP A 99 SITE *** AC6 14 ASP A 110 GLU A 114 LYS A 192 MET A 196 SITE *** AC6 14 FE A1208 HOH A2133 HOH A2271 HOH A2272 SITE *** AC6 14 HOH A2273 HOH A2274 SITE *** AC7 5 ARG A 92 ASP A 93 LEU A 96 HOH A2128 SITE *** AC7 5 HOH A2275 SITE *** AC8 4 HIS A 51 LYS A 162 HOH A2276 HOH A2277 CRYST1 90.616 90.616 90.616 90.00 90.00 90.00 P 2 3 12 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 0.011036 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011036 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011036 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A1211 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HE2 : A 50 HIS NE2 : A1211 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A1208 FEFE :(H bumps) USER MOD Set 1.1: A 182 MET CE :methyl 154:sc= -0.0191 (180deg=-0.289) USER MOD Set 1.2: A 186 TYR OH : rot -9:sc= 0.904 USER MOD Set 2.1: A 168 SER OG : rot 163:sc= 2.27 USER MOD Set 2.2: A 184 ASN :FLIP amide:sc= 2.51 F(o=1.3,f=4.8) USER MOD Set 3.1: A 71 THR OG1 : rot 76:sc= 1.3 USER MOD Set 3.2: A 135 THR OG1A: rot -154:sc= 0.0301 USER MOD Set 4.1: A 74 SER OG : rot 78:sc= 1.7 USER MOD Set 4.2: A 134 SER OG : rot -134:sc= 1.49 USER MOD Set 5.1: A 72 THR OG1 : rot 71:sc= 2.24 USER MOD Set 5.2: A 112 GLN : amide:sc= 1.38 K(o=6.5,f=4.1) USER MOD Set 5.3: A 164 TYR OH : rot -18:sc= 2.92 USER MOD Set 6.1: A 98 TYR OH : rot -169:sc= 1.08 USER MOD Set 6.2: A 149 GLN : amide:sc= 1.27 K(o=2.3,f=-0.73) USER MOD Set 7.1: A 64 THR OG1 : rot -42:sc= 2.09 USER MOD Set 7.2: A 68 ASN : amide:sc= 2.28 K(o=5.6,f=2.9) USER MOD Set 7.3: A 183 TYR OH : rot -179:sc= 1.22 USER MOD Set 8.1: A 51 HIS : no HD1:sc= 0.803 K(o=3.4,f=-4.4!) USER MOD Set 8.2: A1215 GOL O1 : rot 176:sc= 2.57 USER MOD Set 9.1: A 34 HIS : no HE2:sc= 0.0401 K(o=1.1,f=-1.2) USER MOD Set 9.2: A 133 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot 52:sc= 2.39 USER MOD Single : A 44 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= 0.974 X(o=0.97,f=0.51) USER MOD Single : A 49 ASN : amide:sc= -0.079 K(o=-0.079,f=-5.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0.305 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.52 K(o=0.52,f=-2.1) USER MOD Single : A 60 THR OG1 : rot 72:sc= 2.06 USER MOD Single : A 66 GLN A: amide:sc= -0.347 K(o=-0.35,f=-6!) USER MOD Single : A 66 GLN B:FLIP amide:sc= -2.7! C(o=-7.5!,f=-2.7!) USER MOD Single : A 76 TYR OH : rot 2:sc= 1.16 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 2.16 (180deg=2) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.17) USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 1.45 (180deg=1.43) USER MOD Single : A 82 TYR OH : rot 160:sc= 1.35 USER MOD Single : A 95 HIS : +bothHN:sc= 0.226 K(o=0.23,f=-6.9!) USER MOD Single : A 108 SER OG : rot -64:sc= 2.08 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1B: rot -170:sc= -0.718 USER MOD Single : A 137 GLN A: amide:sc= 1.52 X(o=1.5,f=1.7) USER MOD Single : A 137 GLN B: amide:sc= 0.499 K(o=0.5,f=-2) USER MOD Single : A 140 GLN : amide:sc= 1.02 X(o=1,f=0.62) USER MOD Single : A 142 THR OG1 : rot 11:sc= 0.46 USER MOD Single : A 148 THR OG1 : rot 71:sc= 1.95 USER MOD Single : A 155 GLN : amide:sc= 0.94 X(o=0.94,f=0.61) USER MOD Single : A 158 SER OG : rot 77:sc= 2.12 USER MOD Single : A 162 LYS NZ :NH3+ -172:sc= 0.719 (180deg=0.647) USER MOD Single : A 169 GLN : amide:sc= 2.05 X(o=2,f=1.8) USER MOD Single : A 171 CYS SG : rot 139:sc= 0.113 USER MOD Single : A 175 ASN : amide:sc= 1.13 K(o=1.1,f=0.52) USER MOD Single : A 179 THR OG1 : rot 142:sc= 1.87 USER MOD Single : A 189 THR OG1 : rot 151:sc= 1.03 USER MOD Single : A 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 196 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 198 GLN : amide:sc= 1.55 X(o=1.6,f=1.6) USER MOD Single : A 201 MET CE :methyl -161:sc= -0.0616 (180deg=-0.345) USER MOD Single : A1213 GOL O1 A: rot 134:sc= 3.69 USER MOD Single : A1213 GOL O1 B: rot 109:sc= 1.47 USER MOD Single : A1213 GOL O2 B: rot -31:sc= 0.166 USER MOD Single : A1213 GOL O3 A: rot -31:sc=0.000868 USER MOD Single : A1214 GOL O1 : rot 122:sc= -19.7! USER MOD Single : A1214 GOL O2 : rot -129:sc= -0.836 USER MOD Single : A1214 GOL O3 : rot 180:sc= 0.281 USER MOD Single : A1215 GOL O2 : rot -7:sc= 1.12 USER MOD Single : A1215 GOL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 31.203 26.310 6.060 0.50 26.27 N ATOM 2 CA GLY A 30 32.020 27.046 5.069 0.50 29.29 C ATOM 3 C GLY A 30 33.358 26.387 4.790 0.50 30.21 C ATOM 4 O GLY A 30 33.810 25.536 5.552 0.50 29.30 O ATOM 0 HA2 GLY A 30 31.523 27.119 4.239 0.50 29.29 H new ATOM 0 HA3 GLY A 30 32.171 27.949 5.390 0.50 29.29 H new ATOM 5 N GLY A 31 33.987 26.789 3.684 0.50 31.89 N ATOM 6 CA GLY A 31 35.290 26.244 3.288 1.00 33.58 C ATOM 7 C GLY A 31 36.406 26.926 4.067 1.00 34.44 C ATOM 8 O GLY A 31 36.392 28.158 4.231 1.00 36.14 O ATOM 0 H GLY A 31 33.674 27.381 3.145 0.50 31.89 H new ATOM 0 HA2 GLY A 31 35.311 25.288 3.451 1.00 33.58 H new ATOM 0 HA3 GLY A 31 35.426 26.373 2.336 1.00 33.58 H new ATOM 9 N ALA A 32 37.378 26.140 4.548 1.00 33.65 N ATOM 10 CA ALA A 32 38.400 26.664 5.454 1.00 31.87 C ATOM 11 C ALA A 32 39.852 26.293 5.083 1.00 31.38 C ATOM 12 O ALA A 32 40.736 26.230 5.975 1.00 29.96 O ATOM 13 CB ALA A 32 38.096 26.196 6.852 1.00 32.12 C ATOM 0 H ALA A 32 37.460 25.305 4.361 1.00 33.65 H new ATOM 0 HA ALA A 32 38.358 27.630 5.381 1.00 31.87 H new ATOM 0 HB1 ALA A 32 38.769 26.538 7.461 1.00 32.12 H new ATOM 0 HB2 ALA A 32 37.222 26.521 7.120 1.00 32.12 H new ATOM 0 HB3 ALA A 32 38.101 25.226 6.877 1.00 32.12 H new ATOM 14 N ASP A 33 40.131 26.071 3.796 1.00 29.61 N ATOM 15 CA ASP A 33 41.490 25.640 3.436 1.00 29.23 C ATOM 16 C ASP A 33 42.562 26.654 3.865 1.00 27.31 C ATOM 17 O ASP A 33 43.631 26.241 4.330 1.00 25.57 O ATOM 18 CB ASP A 33 41.644 25.238 1.962 1.00 31.07 C ATOM 19 CG ASP A 33 42.901 24.374 1.718 0.75 34.59 C ATOM 20 OD1 ASP A 33 43.220 23.516 2.578 0.75 38.50 O ATOM 21 OD2 ASP A 33 43.576 24.543 0.663 0.75 38.66 O ATOM 0 H ASP A 33 39.579 26.158 3.142 1.00 29.61 H new ATOM 0 HA ASP A 33 41.638 24.829 3.947 1.00 29.23 H new ATOM 0 HB2 ASP A 33 40.857 24.747 1.679 1.00 31.07 H new ATOM 0 HB3 ASP A 33 41.692 26.037 1.414 1.00 31.07 H new ATOM 22 N HIS A 34 42.237 27.953 3.745 1.00 24.25 N ATOM 23 CA HIS A 34 43.096 29.092 4.140 1.00 21.97 C ATOM 24 C HIS A 34 43.572 29.085 5.621 1.00 20.21 C ATOM 25 O HIS A 34 44.619 29.684 5.989 1.00 21.49 O ATOM 26 CB HIS A 34 42.335 30.389 3.848 1.00 23.34 C ATOM 27 CG HIS A 34 41.026 30.548 4.581 1.00 25.57 C ATOM 28 ND1 HIS A 34 39.837 29.969 4.160 1.00 24.88 N ATOM 29 CD2 HIS A 34 40.705 31.312 5.657 1.00 27.33 C ATOM 30 CE1 HIS A 34 38.857 30.330 4.975 1.00 30.26 C ATOM 31 NE2 HIS A 34 39.349 31.165 5.878 1.00 25.31 N ATOM 0 H HIS A 34 41.482 28.206 3.419 1.00 24.25 H new ATOM 0 HA HIS A 34 43.910 29.015 3.618 1.00 21.97 H new ATOM 0 HB2 HIS A 34 42.907 31.140 4.072 1.00 23.34 H new ATOM 0 HB3 HIS A 34 42.163 30.438 2.895 1.00 23.34 H new ATOM 0 HD1 HIS A 34 39.750 29.455 3.476 1.00 24.88 H new ATOM 0 HD2 HIS A 34 41.290 31.837 6.154 1.00 27.33 H new ATOM 0 HE1 HIS A 34 37.973 30.045 4.922 1.00 30.26 H new ATOM 32 N ALA A 35 42.789 28.398 6.445 1.00 17.52 N ATOM 33 CA ALA A 35 43.055 28.346 7.902 1.00 15.57 C ATOM 34 C ALA A 35 43.532 26.956 8.371 1.00 15.66 C ATOM 35 O ALA A 35 43.772 26.762 9.562 1.00 14.86 O ATOM 36 CB ALA A 35 41.755 28.707 8.629 1.00 16.11 C ATOM 0 H ALA A 35 42.098 27.953 6.193 1.00 17.52 H new ATOM 0 HA ALA A 35 43.768 28.972 8.105 1.00 15.57 H new ATOM 0 HB1 ALA A 35 41.902 28.680 9.587 1.00 16.11 H new ATOM 0 HB2 ALA A 35 41.476 29.599 8.370 1.00 16.11 H new ATOM 0 HB3 ALA A 35 41.063 28.070 8.391 1.00 16.11 H new ATOM 37 N ASP A 36 43.619 25.972 7.473 1.00 13.49 N ATOM 38 CA ASP A 36 43.888 24.614 7.883 1.00 12.48 C ATOM 39 C ASP A 36 45.406 24.372 7.878 1.00 12.65 C ATOM 40 O ASP A 36 46.070 24.551 6.844 1.00 14.03 O ATOM 41 CB ASP A 36 43.229 23.639 6.880 1.00 12.03 C ATOM 42 CG ASP A 36 43.262 22.193 7.355 1.00 13.31 C ATOM 43 OD1 ASP A 36 44.106 21.782 8.208 1.00 12.28 O ATOM 44 OD2 ASP A 36 42.386 21.422 6.856 1.00 13.85 O ATOM 0 H ASP A 36 43.524 26.080 6.625 1.00 13.49 H new ATOM 0 HA ASP A 36 43.531 24.469 8.773 1.00 12.48 H new ATOM 0 HB2 ASP A 36 42.308 23.906 6.733 1.00 12.03 H new ATOM 0 HB3 ASP A 36 43.683 23.705 6.025 1.00 12.03 H new ATOM 45 N ALA A 37 45.982 23.993 9.032 1.00 11.78 N ATOM 46 CA ALA A 37 47.422 23.784 9.123 1.00 13.09 C ATOM 47 C ALA A 37 47.826 22.318 9.288 1.00 12.90 C ATOM 48 O ALA A 37 49.003 22.041 9.519 1.00 14.40 O ATOM 49 CB ALA A 37 48.035 24.621 10.309 1.00 13.05 C ATOM 0 H ALA A 37 45.553 23.855 9.764 1.00 11.78 H new ATOM 0 HA ALA A 37 47.778 24.086 8.273 1.00 13.09 H new ATOM 0 HB1 ALA A 37 48.992 24.468 10.352 1.00 13.05 H new ATOM 0 HB2 ALA A 37 47.865 25.564 10.161 1.00 13.05 H new ATOM 0 HB3 ALA A 37 47.626 24.346 11.145 1.00 13.05 H new ATOM 50 N ALA A 38 46.874 21.394 9.162 1.00 12.57 N ATOM 51 CA ALA A 38 47.147 19.980 9.477 1.00 14.05 C ATOM 52 C ALA A 38 47.797 19.198 8.333 1.00 15.69 C ATOM 53 O ALA A 38 48.146 18.029 8.529 1.00 16.85 O ATOM 54 CB ALA A 38 45.872 19.281 9.898 1.00 12.94 C ATOM 0 H ALA A 38 46.071 21.557 8.899 1.00 12.57 H new ATOM 0 HA ALA A 38 47.789 19.994 10.204 1.00 14.05 H new ATOM 0 HB1 ALA A 38 46.064 18.352 10.102 1.00 12.94 H new ATOM 0 HB2 ALA A 38 45.509 19.716 10.685 1.00 12.94 H new ATOM 0 HB3 ALA A 38 45.225 19.326 9.177 1.00 12.94 H new ATOM 55 N HIS A 39 47.946 19.834 7.175 1.00 14.71 N ATOM 56 CA HIS A 39 48.428 19.100 5.980 1.00 16.99 C ATOM 57 C HIS A 39 49.603 19.815 5.339 1.00 18.91 C ATOM 58 O HIS A 39 49.915 19.572 4.152 1.00 18.74 O ATOM 59 CB HIS A 39 47.259 18.954 4.986 1.00 16.85 C ATOM 60 CG HIS A 39 45.957 18.656 5.665 1.00 15.64 C ATOM 61 ND1 HIS A 39 45.665 17.421 6.195 1.00 16.99 N ATOM 62 CD2 HIS A 39 44.909 19.461 5.975 1.00 16.15 C ATOM 63 CE1 HIS A 39 44.479 17.468 6.786 1.00 18.21 C ATOM 64 NE2 HIS A 39 44.008 18.698 6.679 1.00 15.08 N ATOM 0 H HIS A 39 47.781 20.669 7.049 1.00 14.71 H new ATOM 0 HA HIS A 39 48.740 18.220 6.244 1.00 16.99 H new ATOM 0 HB2 HIS A 39 47.172 19.772 4.472 1.00 16.85 H new ATOM 0 HB3 HIS A 39 47.461 18.244 4.357 1.00 16.85 H new ATOM 0 HD1 HIS A 39 46.172 16.728 6.150 1.00 16.99 H new ATOM 0 HD2 HIS A 39 44.818 20.359 5.753 1.00 16.15 H new ATOM 0 HE1 HIS A 39 44.051 16.756 7.205 1.00 18.21 H new ATOM 65 N LEU A 40 50.255 20.705 6.080 1.00 19.47 N ATOM 66 CA LEU A 40 51.332 21.548 5.527 1.00 19.81 C ATOM 67 C LEU A 40 52.572 20.735 5.230 1.00 21.23 C ATOM 68 O LEU A 40 52.864 19.742 5.906 1.00 21.97 O ATOM 69 CB LEU A 40 51.744 22.668 6.490 1.00 19.42 C ATOM 70 CG LEU A 40 50.612 23.657 6.758 1.00 20.40 C ATOM 71 CD1 LEU A 40 51.011 24.622 7.891 1.00 21.08 C ATOM 72 CD2 LEU A 40 50.183 24.451 5.540 1.00 21.28 C ATOM 0 H LEU A 40 50.093 20.843 6.913 1.00 19.47 H new ATOM 0 HA LEU A 40 50.970 21.930 4.712 1.00 19.81 H new ATOM 0 HB2 LEU A 40 52.034 22.278 7.330 1.00 19.42 H new ATOM 0 HB3 LEU A 40 52.504 23.144 6.121 1.00 19.42 H new ATOM 0 HG LEU A 40 49.847 23.121 7.018 1.00 20.40 H new ATOM 0 HD11 LEU A 40 50.287 25.246 8.055 1.00 21.08 H new ATOM 0 HD12 LEU A 40 51.190 24.116 8.699 1.00 21.08 H new ATOM 0 HD13 LEU A 40 51.808 25.112 7.634 1.00 21.08 H new ATOM 0 HD21 LEU A 40 49.464 25.055 5.784 1.00 21.28 H new ATOM 0 HD22 LEU A 40 50.936 24.963 5.206 1.00 21.28 H new ATOM 0 HD23 LEU A 40 49.874 23.844 4.850 1.00 21.28 H new ATOM 73 N GLY A 41 53.292 21.153 4.199 1.00 22.70 N ATOM 74 CA GLY A 41 54.621 20.591 3.970 1.00 24.88 C ATOM 75 C GLY A 41 55.665 21.505 4.591 1.00 26.04 C ATOM 76 O GLY A 41 56.200 22.415 3.908 1.00 26.57 O ATOM 0 H GLY A 41 53.040 21.747 3.630 1.00 22.70 H new ATOM 0 HA2 GLY A 41 54.680 19.704 4.358 1.00 24.88 H new ATOM 0 HA3 GLY A 41 54.784 20.496 3.019 1.00 24.88 H new ATOM 77 N THR A 42 55.945 21.280 5.888 1.00 25.40 N ATOM 78 CA THR A 42 56.842 22.152 6.603 1.00 23.04 C ATOM 79 C THR A 42 57.418 21.459 7.860 1.00 22.33 C ATOM 80 O THR A 42 57.031 20.344 8.221 1.00 23.39 O ATOM 81 CB THR A 42 56.122 23.474 6.900 1.00 24.06 C ATOM 82 OG1 THR A 42 57.081 24.503 7.208 1.00 24.98 O ATOM 83 CG2 THR A 42 55.125 23.300 8.035 1.00 20.96 C ATOM 0 H THR A 42 55.622 20.632 6.352 1.00 25.40 H new ATOM 0 HA THR A 42 57.615 22.358 6.055 1.00 23.04 H new ATOM 0 HB THR A 42 55.628 23.743 6.110 1.00 24.06 H new ATOM 0 HG1 THR A 42 57.658 24.540 6.599 1.00 24.98 H new ATOM 0 HG21 THR A 42 54.681 24.145 8.208 1.00 20.96 H new ATOM 0 HG22 THR A 42 54.466 22.633 7.787 1.00 20.96 H new ATOM 0 HG23 THR A 42 55.592 23.011 8.835 1.00 20.96 H new ATOM 84 N VAL A 43 58.359 22.131 8.515 1.00 19.72 N ATOM 85 CA VAL A 43 59.035 21.610 9.730 1.00 18.04 C ATOM 86 C VAL A 43 58.119 21.746 10.963 1.00 15.00 C ATOM 87 O VAL A 43 57.232 22.612 10.971 1.00 15.61 O ATOM 88 CB VAL A 43 60.355 22.390 9.992 1.00 17.79 C ATOM 89 CG1 VAL A 43 61.358 22.167 8.840 1.00 21.06 C ATOM 90 CG2 VAL A 43 60.121 23.915 10.260 1.00 19.89 C ATOM 0 H VAL A 43 58.634 22.910 8.274 1.00 19.72 H new ATOM 0 HA VAL A 43 59.235 20.673 9.581 1.00 18.04 H new ATOM 0 HB VAL A 43 60.737 22.030 10.808 1.00 17.79 H new ATOM 0 HG11 VAL A 43 62.173 22.660 9.021 1.00 21.06 H new ATOM 0 HG12 VAL A 43 61.562 21.222 8.767 1.00 21.06 H new ATOM 0 HG13 VAL A 43 60.970 22.479 8.008 1.00 21.06 H new ATOM 0 HG21 VAL A 43 60.973 24.351 10.416 1.00 19.89 H new ATOM 0 HG22 VAL A 43 59.689 24.317 9.490 1.00 19.89 H new ATOM 0 HG23 VAL A 43 59.555 24.024 11.040 1.00 19.89 H new ATOM 91 N ASN A 44 58.331 20.879 11.964 1.00 13.58 N ATOM 92 CA ASN A 44 57.654 20.980 13.273 1.00 12.97 C ATOM 93 C ASN A 44 56.145 20.917 13.153 1.00 12.73 C ATOM 94 O ASN A 44 55.422 21.501 13.986 1.00 12.11 O ATOM 95 CB ASN A 44 58.087 22.270 14.021 1.00 12.97 C ATOM 96 CG ASN A 44 59.589 22.418 14.081 1.00 14.16 C ATOM 97 OD1 ASN A 44 60.153 23.265 13.403 1.00 20.43 O ATOM 98 ND2 ASN A 44 60.237 21.560 14.814 1.00 16.53 N ATOM 0 H ASN A 44 58.872 20.214 11.904 1.00 13.58 H new ATOM 0 HA ASN A 44 57.931 20.208 13.791 1.00 12.97 H new ATOM 0 HB2 ASN A 44 57.705 23.043 13.577 1.00 12.97 H new ATOM 0 HB3 ASN A 44 57.729 22.255 14.922 1.00 12.97 H new ATOM 0 HD21 ASN A 44 61.097 21.575 14.835 1.00 16.53 H new ATOM 0 HD22 ASN A 44 59.806 20.978 15.278 1.00 16.53 H new ATOM 99 N ASN A 45 55.646 20.138 12.183 1.00 12.07 N ATOM 100 CA ASN A 45 54.203 20.106 11.877 1.00 12.40 C ATOM 101 C ASN A 45 53.669 18.683 11.789 1.00 12.57 C ATOM 102 O ASN A 45 52.484 18.471 11.467 1.00 14.42 O ATOM 103 CB ASN A 45 53.929 20.822 10.549 1.00 12.05 C ATOM 104 CG ASN A 45 52.519 21.428 10.504 1.00 15.23 C ATOM 105 OD1 ASN A 45 52.276 22.505 11.080 1.00 12.85 O ATOM 106 ND2 ASN A 45 51.591 20.782 9.770 1.00 13.11 N ATOM 0 H ASN A 45 56.124 19.620 11.690 1.00 12.07 H new ATOM 0 HA ASN A 45 53.748 20.559 12.604 1.00 12.40 H new ATOM 0 HB2 ASN A 45 54.586 21.523 10.419 1.00 12.05 H new ATOM 0 HB3 ASN A 45 54.034 20.195 9.816 1.00 12.05 H new ATOM 0 HD21 ASN A 45 50.801 21.112 9.688 1.00 13.11 H new ATOM 0 HD22 ASN A 45 51.789 20.039 9.384 1.00 13.11 H new ATOM 107 N ALA A 46 54.519 17.723 12.142 1.00 13.26 N ATOM 108 CA ALA A 46 54.176 16.286 11.967 1.00 13.43 C ATOM 109 C ALA A 46 52.995 15.817 12.803 1.00 14.70 C ATOM 110 O ALA A 46 52.335 14.819 12.457 1.00 16.23 O ATOM 111 CB ALA A 46 55.400 15.425 12.283 1.00 14.70 C ATOM 0 H ALA A 46 55.295 17.867 12.483 1.00 13.26 H new ATOM 0 HA ALA A 46 53.906 16.186 11.041 1.00 13.43 H new ATOM 0 HB1 ALA A 46 55.175 14.488 12.169 1.00 14.70 H new ATOM 0 HB2 ALA A 46 56.124 15.659 11.682 1.00 14.70 H new ATOM 0 HB3 ALA A 46 55.678 15.581 13.199 1.00 14.70 H new ATOM 112 N LEU A 47 52.767 16.480 13.946 1.00 12.36 N ATOM 113 CA LEU A 47 51.745 16.010 14.884 1.00 11.42 C ATOM 114 C LEU A 47 50.422 16.752 14.743 1.00 11.58 C ATOM 115 O LEU A 47 49.457 16.362 15.389 1.00 12.99 O ATOM 116 CB LEU A 47 52.234 16.194 16.343 1.00 10.43 C ATOM 117 CG LEU A 47 53.546 15.458 16.658 1.00 12.26 C ATOM 118 CD1 LEU A 47 54.014 15.741 18.091 1.00 12.60 C ATOM 119 CD2 LEU A 47 53.439 13.928 16.438 1.00 14.76 C ATOM 0 H LEU A 47 53.186 17.190 14.191 1.00 12.36 H new ATOM 0 HA LEU A 47 51.599 15.074 14.674 1.00 11.42 H new ATOM 0 HB2 LEU A 47 52.355 17.141 16.517 1.00 10.43 H new ATOM 0 HB3 LEU A 47 51.544 15.880 16.948 1.00 10.43 H new ATOM 0 HG LEU A 47 54.203 15.803 16.033 1.00 12.26 H new ATOM 0 HD11 LEU A 47 54.842 15.265 18.261 1.00 12.60 H new ATOM 0 HD12 LEU A 47 54.161 16.693 18.202 1.00 12.60 H new ATOM 0 HD13 LEU A 47 53.336 15.444 18.718 1.00 12.60 H new ATOM 0 HD21 LEU A 47 54.289 13.510 16.649 1.00 14.76 H new ATOM 0 HD22 LEU A 47 52.749 13.565 17.015 1.00 14.76 H new ATOM 0 HD23 LEU A 47 53.213 13.749 15.512 1.00 14.76 H new ATOM 120 N VAL A 48 50.389 17.797 13.924 1.00 11.13 N ATOM 121 CA VAL A 48 49.175 18.645 13.840 1.00 11.14 C ATOM 122 C VAL A 48 48.008 17.837 13.295 1.00 12.34 C ATOM 123 O VAL A 48 48.161 17.145 12.266 1.00 12.86 O ATOM 124 CB VAL A 48 49.422 19.922 12.987 1.00 11.67 C ATOM 125 CG1 VAL A 48 48.159 20.778 12.844 1.00 11.54 C ATOM 126 CG2 VAL A 48 50.593 20.763 13.566 1.00 12.51 C ATOM 0 H VAL A 48 51.038 18.039 13.414 1.00 11.13 H new ATOM 0 HA VAL A 48 48.954 18.942 14.736 1.00 11.14 H new ATOM 0 HB VAL A 48 49.668 19.622 12.098 1.00 11.67 H new ATOM 0 HG11 VAL A 48 48.358 21.561 12.307 1.00 11.54 H new ATOM 0 HG12 VAL A 48 47.463 20.258 12.412 1.00 11.54 H new ATOM 0 HG13 VAL A 48 47.856 21.057 13.722 1.00 11.54 H new ATOM 0 HG21 VAL A 48 50.727 21.552 13.018 1.00 12.51 H new ATOM 0 HG22 VAL A 48 50.381 21.032 14.473 1.00 12.51 H new ATOM 0 HG23 VAL A 48 51.404 20.230 13.569 1.00 12.51 H new ATOM 127 N ASN A 49 46.857 17.930 13.958 1.00 10.65 N ATOM 128 CA ASN A 49 45.658 17.233 13.503 1.00 11.01 C ATOM 129 C ASN A 49 44.438 17.986 14.002 1.00 10.79 C ATOM 130 O ASN A 49 44.575 19.090 14.610 1.00 10.77 O ATOM 131 CB ASN A 49 45.690 15.751 13.970 1.00 11.36 C ATOM 132 CG ASN A 49 45.632 15.598 15.473 1.00 13.42 C ATOM 133 OD1 ASN A 49 45.037 16.405 16.198 1.00 12.20 O ATOM 134 ND2 ASN A 49 46.269 14.542 15.960 1.00 16.88 N ATOM 0 H ASN A 49 46.750 18.393 14.675 1.00 10.65 H new ATOM 0 HA ASN A 49 45.618 17.212 12.534 1.00 11.01 H new ATOM 0 HB2 ASN A 49 44.942 15.277 13.574 1.00 11.36 H new ATOM 0 HB3 ASN A 49 46.499 15.331 13.639 1.00 11.36 H new ATOM 0 HD21 ASN A 49 46.278 14.399 16.808 1.00 16.88 H new ATOM 0 HD22 ASN A 49 46.673 14.000 15.428 1.00 16.88 H new ATOM 135 N HIS A 50 43.251 17.485 13.670 1.00 11.18 N ATOM 136 CA HIS A 50 41.988 18.144 14.055 1.00 10.27 C ATOM 137 C HIS A 50 41.346 17.567 15.337 1.00 10.73 C ATOM 138 O HIS A 50 40.152 17.794 15.583 1.00 10.39 O ATOM 139 CB HIS A 50 40.998 18.193 12.862 1.00 11.53 C ATOM 140 CG HIS A 50 41.563 18.876 11.652 1.00 11.83 C ATOM 141 ND1 HIS A 50 42.238 20.077 11.725 1.00 10.37 N ATOM 142 CD2 HIS A 50 41.575 18.524 10.331 1.00 12.30 C ATOM 143 CE1 HIS A 50 42.617 20.460 10.507 1.00 11.05 C ATOM 144 NE2 HIS A 50 42.240 19.516 9.648 1.00 12.76 N ATOM 0 H HIS A 50 43.148 16.760 13.219 1.00 11.18 H new ATOM 0 HA HIS A 50 42.217 19.057 14.287 1.00 10.27 H new ATOM 0 HB2 HIS A 50 40.741 17.288 12.625 1.00 11.53 H new ATOM 0 HB3 HIS A 50 40.190 18.654 13.138 1.00 11.53 H new ATOM 0 HD1 HIS A 50 42.391 20.514 12.450 1.00 10.37 H new ATOM 0 HD2 HIS A 50 41.202 17.756 9.962 1.00 12.30 H new ATOM 0 HE1 HIS A 50 43.065 21.247 10.295 1.00 11.05 H new ATOM 145 N HIS A 51 42.165 16.892 16.149 1.00 10.39 N ATOM 146 CA HIS A 51 41.741 16.460 17.496 1.00 10.71 C ATOM 147 C HIS A 51 40.466 15.631 17.315 1.00 12.04 C ATOM 148 O HIS A 51 40.500 14.693 16.510 1.00 13.41 O ATOM 149 CB HIS A 51 41.556 17.735 18.350 1.00 10.45 C ATOM 150 CG HIS A 51 41.377 17.501 19.833 1.00 11.59 C ATOM 151 ND1 HIS A 51 41.545 16.283 20.449 1.00 12.22 N ATOM 152 CD2 HIS A 51 41.100 18.391 20.830 1.00 12.76 C ATOM 153 CE1 HIS A 51 41.355 16.413 21.759 1.00 11.43 C ATOM 154 NE2 HIS A 51 41.088 17.692 22.020 1.00 11.58 N ATOM 0 H HIS A 51 42.971 16.672 15.943 1.00 10.39 H new ATOM 0 HA HIS A 51 42.385 15.902 17.959 1.00 10.71 H new ATOM 0 HB2 HIS A 51 42.327 18.308 18.219 1.00 10.45 H new ATOM 0 HB3 HIS A 51 40.783 18.219 18.019 1.00 10.45 H new ATOM 0 HD2 HIS A 51 40.947 19.302 20.726 1.00 12.76 H new ATOM 0 HE1 HIS A 51 41.401 15.728 22.386 1.00 11.43 H new ATOM 0 HE2 HIS A 51 40.934 18.025 22.798 1.00 11.58 H new ATOM 155 N TYR A 52 39.375 15.950 17.998 1.00 10.69 N ATOM 156 CA TYR A 52 38.163 15.108 17.936 1.00 10.75 C ATOM 157 C TYR A 52 37.214 15.429 16.782 1.00 12.33 C ATOM 158 O TYR A 52 36.100 14.824 16.709 1.00 14.62 O ATOM 159 CB TYR A 52 37.388 15.057 19.300 1.00 11.63 C ATOM 160 CG TYR A 52 37.215 16.440 19.941 1.00 9.79 C ATOM 161 CD1 TYR A 52 36.380 17.410 19.366 1.00 11.99 C ATOM 162 CD2 TYR A 52 37.927 16.742 21.124 1.00 10.36 C ATOM 163 CE1 TYR A 52 36.219 18.671 19.958 1.00 12.28 C ATOM 164 CE2 TYR A 52 37.794 17.997 21.724 1.00 11.30 C ATOM 165 CZ TYR A 52 36.938 18.942 21.137 1.00 11.66 C ATOM 166 OH TYR A 52 36.810 20.172 21.743 1.00 10.15 O ATOM 0 H TYR A 52 39.305 16.643 18.503 1.00 10.69 H new ATOM 0 HA TYR A 52 38.512 14.222 17.751 1.00 10.75 H new ATOM 0 HB2 TYR A 52 36.514 14.661 19.156 1.00 11.63 H new ATOM 0 HB3 TYR A 52 37.864 14.478 19.916 1.00 11.63 H new ATOM 0 HD1 TYR A 52 35.926 17.213 18.579 1.00 11.99 H new ATOM 0 HD2 TYR A 52 38.486 16.103 21.504 1.00 10.36 H new ATOM 0 HE1 TYR A 52 35.655 19.308 19.583 1.00 12.28 H new ATOM 0 HE2 TYR A 52 38.265 18.203 22.499 1.00 11.30 H new ATOM 0 HH TYR A 52 37.290 20.196 22.432 1.00 10.15 H new ATOM 167 N LEU A 53 37.580 16.374 15.915 1.00 10.61 N ATOM 168 CA LEU A 53 36.694 16.723 14.785 1.00 10.31 C ATOM 169 C LEU A 53 37.082 15.954 13.523 1.00 11.70 C ATOM 170 O LEU A 53 38.269 15.812 13.203 1.00 12.95 O ATOM 171 CB LEU A 53 36.793 18.228 14.466 1.00 10.90 C ATOM 172 CG LEU A 53 36.297 19.153 15.612 1.00 10.29 C ATOM 173 CD1 LEU A 53 36.374 20.628 15.108 1.00 11.23 C ATOM 174 CD2 LEU A 53 34.855 18.787 16.107 1.00 10.98 C ATOM 0 H LEU A 53 38.315 16.818 15.954 1.00 10.61 H new ATOM 0 HA LEU A 53 35.790 16.490 15.049 1.00 10.31 H new ATOM 0 HB2 LEU A 53 37.716 18.446 14.264 1.00 10.90 H new ATOM 0 HB3 LEU A 53 36.276 18.414 13.666 1.00 10.90 H new ATOM 0 HG LEU A 53 36.870 19.032 16.386 1.00 10.29 H new ATOM 0 HD11 LEU A 53 36.068 21.226 15.808 1.00 11.23 H new ATOM 0 HD12 LEU A 53 37.291 20.844 14.877 1.00 11.23 H new ATOM 0 HD13 LEU A 53 35.810 20.733 14.325 1.00 11.23 H new ATOM 0 HD21 LEU A 53 34.594 19.391 16.819 1.00 10.98 H new ATOM 0 HD22 LEU A 53 34.230 18.867 15.370 1.00 10.98 H new ATOM 0 HD23 LEU A 53 34.848 17.875 16.438 1.00 10.98 H new ATOM 175 N GLU A 54 36.069 15.506 12.790 1.00 11.57 N ATOM 176 CA GLU A 54 36.322 14.987 11.432 1.00 12.20 C ATOM 177 C GLU A 54 36.742 16.128 10.492 1.00 12.67 C ATOM 178 O GLU A 54 36.505 17.343 10.764 1.00 11.53 O ATOM 179 CB GLU A 54 35.036 14.347 10.903 1.00 12.70 C ATOM 180 CG GLU A 54 34.500 13.243 11.803 1.00 16.55 C ATOM 181 CD GLU A 54 35.366 11.993 11.804 1.00 26.50 C ATOM 182 OE1 GLU A 54 36.211 11.821 10.883 1.00 27.35 O ATOM 183 OE2 GLU A 54 35.187 11.159 12.731 1.00 31.38 O ATOM 0 H GLU A 54 35.247 15.490 13.043 1.00 11.57 H new ATOM 0 HA GLU A 54 37.037 14.332 11.468 1.00 12.20 H new ATOM 0 HB2 GLU A 54 34.358 15.033 10.804 1.00 12.70 H new ATOM 0 HB3 GLU A 54 35.203 13.983 10.019 1.00 12.70 H new ATOM 0 HG2 GLU A 54 34.429 13.580 12.710 1.00 16.55 H new ATOM 0 HG3 GLU A 54 33.604 13.008 11.516 1.00 16.55 H new ATOM 184 N GLU A 55 37.344 15.798 9.348 1.00 12.48 N ATOM 185 CA GLU A 55 37.830 16.855 8.465 1.00 12.63 C ATOM 186 C GLU A 55 36.750 17.871 8.074 1.00 12.76 C ATOM 187 O GLU A 55 36.955 19.094 8.114 1.00 13.13 O ATOM 188 CB GLU A 55 38.428 16.240 7.178 1.00 13.50 C ATOM 189 CG GLU A 55 39.110 17.246 6.298 1.00 13.19 C ATOM 190 CD GLU A 55 40.394 17.855 6.905 1.00 12.67 C ATOM 191 OE1 GLU A 55 41.215 17.109 7.482 1.00 14.40 O ATOM 192 OE2 GLU A 55 40.550 19.094 6.760 1.00 15.85 O ATOM 0 H GLU A 55 37.477 14.994 9.072 1.00 12.48 H new ATOM 0 HA GLU A 55 38.508 17.333 8.968 1.00 12.63 H new ATOM 0 HB2 GLU A 55 39.064 15.550 7.423 1.00 13.50 H new ATOM 0 HB3 GLU A 55 37.720 15.807 6.675 1.00 13.50 H new ATOM 0 HG2 GLU A 55 39.333 16.823 5.454 1.00 13.19 H new ATOM 0 HG3 GLU A 55 38.487 17.963 6.101 1.00 13.19 H new ATOM 193 N LYS A 56 35.573 17.390 7.663 1.00 12.79 N ATOM 194 CA LYS A 56 34.505 18.294 7.236 1.00 13.92 C ATOM 195 C LYS A 56 33.981 19.185 8.398 1.00 12.95 C ATOM 196 O LYS A 56 33.597 20.328 8.177 1.00 14.23 O ATOM 197 CB LYS A 56 33.341 17.493 6.623 1.00 16.04 C ATOM 198 CG LYS A 56 33.699 16.968 5.245 1.00 23.24 C ATOM 199 CD LYS A 56 32.468 16.292 4.614 1.00 30.29 C ATOM 200 CE LYS A 56 32.817 15.717 3.234 1.00 37.24 C ATOM 201 NZ LYS A 56 31.742 14.768 2.797 1.00 42.02 N ATOM 0 H LYS A 56 35.376 16.554 7.625 1.00 12.79 H new ATOM 0 HA LYS A 56 34.884 18.884 6.566 1.00 13.92 H new ATOM 0 HB2 LYS A 56 33.114 16.751 7.205 1.00 16.04 H new ATOM 0 HB3 LYS A 56 32.554 18.057 6.562 1.00 16.04 H new ATOM 0 HG2 LYS A 56 34.005 17.696 4.681 1.00 23.24 H new ATOM 0 HG3 LYS A 56 34.430 16.334 5.310 1.00 23.24 H new ATOM 0 HD2 LYS A 56 32.149 15.583 5.194 1.00 30.29 H new ATOM 0 HD3 LYS A 56 31.747 16.935 4.529 1.00 30.29 H new ATOM 0 HE2 LYS A 56 32.909 16.435 2.588 1.00 37.24 H new ATOM 0 HE3 LYS A 56 33.671 15.258 3.271 1.00 37.24 H new ATOM 0 HZ1 LYS A 56 31.946 14.436 1.997 1.00 42.02 H new ATOM 0 HZ2 LYS A 56 31.675 14.104 3.385 1.00 42.02 H new ATOM 0 HZ3 LYS A 56 30.966 15.200 2.749 1.00 42.02 H new ATOM 202 N GLU A 57 34.001 18.609 9.593 1.00 11.74 N ATOM 203 CA GLU A 57 33.586 19.348 10.817 1.00 10.01 C ATOM 204 C GLU A 57 34.609 20.463 11.076 1.00 10.28 C ATOM 205 O GLU A 57 34.219 21.642 11.329 1.00 10.38 O ATOM 206 CB GLU A 57 33.496 18.418 12.029 1.00 9.94 C ATOM 207 CG GLU A 57 32.291 17.456 11.911 1.00 11.69 C ATOM 208 CD GLU A 57 32.307 16.345 12.938 1.00 12.67 C ATOM 209 OE1 GLU A 57 33.360 16.094 13.594 1.00 13.86 O ATOM 210 OE2 GLU A 57 31.220 15.695 13.068 1.00 14.88 O ATOM 0 H GLU A 57 34.247 17.797 9.732 1.00 11.74 H new ATOM 0 HA GLU A 57 32.703 19.724 10.679 1.00 10.01 H new ATOM 0 HB2 GLU A 57 34.316 17.905 12.107 1.00 9.94 H new ATOM 0 HB3 GLU A 57 33.413 18.946 12.839 1.00 9.94 H new ATOM 0 HG2 GLU A 57 31.470 17.964 12.006 1.00 11.69 H new ATOM 0 HG3 GLU A 57 32.282 17.066 11.023 1.00 11.69 H new ATOM 211 N PHE A 58 35.898 20.108 10.990 1.00 10.80 N ATOM 212 CA PHE A 58 36.932 21.158 11.098 1.00 11.16 C ATOM 213 C PHE A 58 36.727 22.284 10.069 1.00 10.52 C ATOM 214 O PHE A 58 36.796 23.489 10.394 1.00 11.28 O ATOM 215 CB PHE A 58 38.348 20.570 10.996 1.00 10.95 C ATOM 216 CG PHE A 58 39.412 21.645 10.917 1.00 11.14 C ATOM 217 CD1 PHE A 58 39.859 22.285 12.084 1.00 11.91 C ATOM 218 CD2 PHE A 58 39.836 22.150 9.689 1.00 11.45 C ATOM 219 CE1 PHE A 58 40.781 23.343 11.998 1.00 10.77 C ATOM 220 CE2 PHE A 58 40.770 23.213 9.583 1.00 12.75 C ATOM 221 CZ PHE A 58 41.229 23.831 10.754 1.00 10.79 C ATOM 0 H PHE A 58 36.188 19.307 10.875 1.00 10.80 H new ATOM 0 HA PHE A 58 36.835 21.552 11.979 1.00 11.16 H new ATOM 0 HB2 PHE A 58 38.518 20.006 11.766 1.00 10.95 H new ATOM 0 HB3 PHE A 58 38.405 20.003 10.211 1.00 10.95 H new ATOM 0 HD1 PHE A 58 39.545 22.009 12.915 1.00 11.91 H new ATOM 0 HD2 PHE A 58 39.494 21.776 8.909 1.00 11.45 H new ATOM 0 HE1 PHE A 58 41.103 23.730 12.780 1.00 10.77 H new ATOM 0 HE2 PHE A 58 41.073 23.495 8.750 1.00 12.75 H new ATOM 0 HZ PHE A 58 41.818 24.549 10.711 1.00 10.79 H new ATOM 222 N GLN A 59 36.443 21.908 8.788 1.00 10.72 N ATOM 223 CA GLN A 59 36.200 22.949 7.779 1.00 12.20 C ATOM 224 C GLN A 59 35.082 23.923 8.153 1.00 11.78 C ATOM 225 O GLN A 59 35.234 25.154 8.010 1.00 12.72 O ATOM 226 CB GLN A 59 35.959 22.313 6.383 1.00 12.94 C ATOM 227 CG GLN A 59 37.137 21.451 5.919 1.00 13.25 C ATOM 228 CD GLN A 59 38.409 22.221 5.676 1.00 20.57 C ATOM 229 OE1 GLN A 59 38.385 23.354 5.175 1.00 28.05 O ATOM 230 NE2 GLN A 59 39.537 21.607 5.998 1.00 24.36 N ATOM 0 H GLN A 59 36.391 21.097 8.507 1.00 10.72 H new ATOM 0 HA GLN A 59 37.006 23.487 7.743 1.00 12.20 H new ATOM 0 HB2 GLN A 59 35.156 21.769 6.413 1.00 12.94 H new ATOM 0 HB3 GLN A 59 35.801 23.016 5.734 1.00 12.94 H new ATOM 0 HG2 GLN A 59 37.307 20.768 6.586 1.00 13.25 H new ATOM 0 HG3 GLN A 59 36.887 20.993 5.101 1.00 13.25 H new ATOM 0 HE21 GLN A 59 39.515 20.820 6.344 1.00 24.36 H new ATOM 0 HE22 GLN A 59 40.292 21.995 5.861 1.00 24.36 H new ATOM 231 N THR A 60 33.969 23.386 8.667 1.00 10.56 N ATOM 232 CA THR A 60 32.869 24.216 9.107 1.00 11.25 C ATOM 233 C THR A 60 33.303 25.161 10.252 1.00 10.36 C ATOM 234 O THR A 60 33.104 26.374 10.168 1.00 11.22 O ATOM 235 CB THR A 60 31.736 23.337 9.582 1.00 11.88 C ATOM 236 OG1 THR A 60 31.283 22.570 8.439 1.00 15.08 O ATOM 237 CG2 THR A 60 30.604 24.199 10.149 1.00 14.69 C ATOM 0 H THR A 60 33.841 22.541 8.765 1.00 10.56 H new ATOM 0 HA THR A 60 32.579 24.760 8.358 1.00 11.25 H new ATOM 0 HB THR A 60 32.028 22.742 10.291 1.00 11.88 H new ATOM 0 HG1 THR A 60 31.855 21.984 8.250 1.00 15.08 H new ATOM 0 HG21 THR A 60 29.881 23.627 10.451 1.00 14.69 H new ATOM 0 HG22 THR A 60 30.937 24.720 10.896 1.00 14.69 H new ATOM 0 HG23 THR A 60 30.275 24.797 9.459 1.00 14.69 H new ATOM 238 N VAL A 61 33.901 24.571 11.289 1.00 11.48 N ATOM 239 CA VAL A 61 34.251 25.351 12.480 1.00 9.98 C ATOM 240 C VAL A 61 35.347 26.363 12.150 1.00 10.39 C ATOM 241 O VAL A 61 35.262 27.534 12.516 1.00 9.98 O ATOM 242 CB VAL A 61 34.716 24.404 13.595 1.00 9.28 C ATOM 243 CG1 VAL A 61 35.189 25.236 14.796 1.00 9.07 C ATOM 244 CG2 VAL A 61 33.554 23.501 14.036 1.00 11.77 C ATOM 0 H VAL A 61 34.109 23.737 11.325 1.00 11.48 H new ATOM 0 HA VAL A 61 33.469 25.838 12.782 1.00 9.98 H new ATOM 0 HB VAL A 61 35.442 23.852 13.264 1.00 9.28 H new ATOM 0 HG11 VAL A 61 35.484 24.643 15.505 1.00 9.07 H new ATOM 0 HG12 VAL A 61 35.925 25.807 14.525 1.00 9.07 H new ATOM 0 HG13 VAL A 61 34.457 25.785 15.118 1.00 9.07 H new ATOM 0 HG21 VAL A 61 33.856 22.906 14.740 1.00 11.77 H new ATOM 0 HG22 VAL A 61 32.825 24.049 14.367 1.00 11.77 H new ATOM 0 HG23 VAL A 61 33.246 22.977 13.280 1.00 11.77 H new ATOM 245 N ALA A 62 36.402 25.913 11.440 1.00 9.59 N ATOM 246 CA ALA A 62 37.520 26.835 11.097 1.00 10.37 C ATOM 247 C ALA A 62 37.101 28.042 10.241 1.00 10.34 C ATOM 248 O ALA A 62 37.631 29.154 10.428 1.00 10.24 O ATOM 249 CB ALA A 62 38.671 26.073 10.412 1.00 12.07 C ATOM 0 H ALA A 62 36.493 25.107 11.154 1.00 9.59 H new ATOM 0 HA ALA A 62 37.824 27.196 11.944 1.00 10.37 H new ATOM 0 HB1 ALA A 62 39.387 26.692 10.198 1.00 12.07 H new ATOM 0 HB2 ALA A 62 39.006 25.386 11.010 1.00 12.07 H new ATOM 0 HB3 ALA A 62 38.346 25.661 9.596 1.00 12.07 H new ATOM 250 N GLU A 63 36.143 27.870 9.308 1.00 9.14 N ATOM 251 CA GLU A 63 35.705 29.026 8.552 1.00 10.04 C ATOM 252 C GLU A 63 35.125 30.093 9.505 1.00 9.23 C ATOM 253 O GLU A 63 35.350 31.324 9.334 1.00 10.60 O ATOM 254 CB GLU A 63 34.603 28.599 7.537 1.00 9.65 C ATOM 255 CG GLU A 63 34.165 29.777 6.648 1.00 12.34 C ATOM 256 CD GLU A 63 33.067 30.689 7.258 1.00 11.55 C ATOM 257 OE1 GLU A 63 32.248 30.226 8.063 1.00 12.51 O ATOM 258 OE2 GLU A 63 32.948 31.860 6.820 1.00 14.06 O ATOM 0 H GLU A 63 35.759 27.125 9.114 1.00 9.14 H new ATOM 0 HA GLU A 63 36.465 29.397 8.077 1.00 10.04 H new ATOM 0 HB2 GLU A 63 34.937 27.879 6.980 1.00 9.65 H new ATOM 0 HB3 GLU A 63 33.835 28.253 8.018 1.00 9.65 H new ATOM 0 HG2 GLU A 63 34.943 30.320 6.448 1.00 12.34 H new ATOM 0 HG3 GLU A 63 33.841 29.425 5.804 1.00 12.34 H new ATOM 259 N THR A 64 34.361 29.625 10.515 1.00 8.66 N ATOM 260 CA THR A 64 33.746 30.593 11.458 1.00 8.45 C ATOM 261 C THR A 64 34.843 31.255 12.306 1.00 8.37 C ATOM 262 O THR A 64 34.793 32.476 12.515 1.00 9.00 O ATOM 263 CB THR A 64 32.667 29.990 12.389 1.00 8.81 C ATOM 264 OG1 THR A 64 33.256 29.158 13.403 1.00 8.92 O ATOM 265 CG2 THR A 64 31.598 29.144 11.613 1.00 10.69 C ATOM 0 H THR A 64 34.192 28.796 10.668 1.00 8.66 H new ATOM 0 HA THR A 64 33.287 31.244 10.905 1.00 8.45 H new ATOM 0 HB THR A 64 32.223 30.750 12.797 1.00 8.81 H new ATOM 0 HG1 THR A 64 33.862 28.687 13.062 1.00 8.92 H new ATOM 0 HG21 THR A 64 30.948 28.790 12.240 1.00 10.69 H new ATOM 0 HG22 THR A 64 31.148 29.707 10.964 1.00 10.69 H new ATOM 0 HG23 THR A 64 32.036 28.410 11.154 1.00 10.69 H new ATOM 266 N LEU A 65 35.834 30.487 12.740 1.00 8.12 N ATOM 267 CA LEU A 65 36.882 31.069 13.631 1.00 8.63 C ATOM 268 C LEU A 65 37.755 32.084 12.899 1.00 9.58 C ATOM 269 O LEU A 65 38.038 33.155 13.432 1.00 9.50 O ATOM 270 CB LEU A 65 37.751 29.965 14.251 1.00 7.98 C ATOM 271 CG LEU A 65 37.081 29.210 15.391 1.00 8.13 C ATOM 272 CD1 LEU A 65 37.834 27.884 15.701 1.00 7.67 C ATOM 273 CD2 LEU A 65 37.044 30.108 16.673 1.00 9.14 C ATOM 0 H LEU A 65 35.933 29.654 12.549 1.00 8.12 H new ATOM 0 HA LEU A 65 36.420 31.538 14.343 1.00 8.63 H new ATOM 0 HB2 LEU A 65 37.996 29.333 13.558 1.00 7.98 H new ATOM 0 HB3 LEU A 65 38.574 30.361 14.578 1.00 7.98 H new ATOM 0 HG LEU A 65 36.176 28.992 15.120 1.00 8.13 H new ATOM 0 HD11 LEU A 65 37.390 27.422 16.429 1.00 7.67 H new ATOM 0 HD12 LEU A 65 37.834 27.320 14.912 1.00 7.67 H new ATOM 0 HD13 LEU A 65 38.749 28.083 15.955 1.00 7.67 H new ATOM 0 HD21 LEU A 65 36.616 29.623 17.396 1.00 9.14 H new ATOM 0 HD22 LEU A 65 37.949 30.341 16.931 1.00 9.14 H new ATOM 0 HD23 LEU A 65 36.543 30.918 16.487 1.00 9.14 H new ATOM 274 N GLN A 66 38.159 31.771 11.667 1.00 9.66 N ATOM 275 CA GLN A 66 38.985 32.732 10.914 1.00 9.76 C ATOM 276 C GLN A 66 38.201 34.000 10.609 1.00 8.97 C ATOM 277 O GLN A 66 38.719 35.132 10.745 1.00 8.84 O ATOM 278 CB AGLN A 66 39.523 32.126 9.607 0.70 10.58 C ATOM 279 CG AGLN A 66 40.312 33.197 8.824 0.70 12.56 C ATOM 280 CD AGLN A 66 41.559 33.764 9.595 0.70 16.75 C ATOM 281 OE1AGLN A 66 42.364 33.000 10.125 0.70 17.75 O ATOM 282 NE2AGLN A 66 41.719 35.109 9.618 0.70 20.98 N ATOM 283 CB BGLN A 66 39.421 32.050 9.607 0.30 9.90 C ATOM 284 CG BGLN A 66 40.588 32.719 8.906 0.30 11.05 C ATOM 285 CD BGLN A 66 41.953 32.350 9.489 0.30 13.71 C ATOM 286 OE1BGLN A 66 42.167 32.672 10.759 0.30 13.72 O flip ATOM 287 NE2BGLN A 66 42.798 31.783 8.798 0.30 13.41 N flip ATOM 0 H GLN A 66 37.977 31.037 11.257 1.00 9.66 H new ATOM 0 HA GLN A 66 39.743 32.954 11.477 1.00 9.76 H new ATOM 0 HB2AGLN A 66 40.096 31.368 9.803 0.70 9.90 H new ATOM 0 HB2BGLN A 66 39.659 31.130 9.800 0.30 9.90 H new ATOM 0 HB3AGLN A 66 38.788 31.794 9.068 0.70 9.90 H new ATOM 0 HB3BGLN A 66 38.665 32.026 9.000 0.30 9.90 H new ATOM 0 HG2AGLN A 66 40.609 32.816 7.983 0.70 11.05 H new ATOM 0 HG2BGLN A 66 40.571 32.478 7.967 0.30 11.05 H new ATOM 0 HG3AGLN A 66 39.716 33.931 8.608 0.70 11.05 H new ATOM 0 HG3BGLN A 66 40.475 33.681 8.954 0.30 11.05 H new ATOM 0 HE21AGLN A 66 41.139 35.618 9.238 0.70 13.41 H new ATOM 0 HE21BGLN A 66 42.624 31.590 7.978 0.30 13.41 H new ATOM 0 HE22AGLN A 66 42.401 35.454 10.012 0.70 13.41 H new ATOM 0 HE22BGLN A 66 43.563 31.580 9.135 0.30 13.41 H new ATOM 288 N ARG A 67 36.927 33.841 10.196 1.00 8.32 N ATOM 289 CA ARG A 67 36.108 35.008 9.897 1.00 9.01 C ATOM 290 C ARG A 67 35.880 35.859 11.172 1.00 8.28 C ATOM 291 O ARG A 67 36.083 37.081 11.161 1.00 9.24 O ATOM 292 CB ARG A 67 34.771 34.565 9.298 1.00 8.93 C ATOM 293 CG ARG A 67 33.762 35.682 9.238 1.00 8.88 C ATOM 294 CD ARG A 67 32.530 35.300 8.350 1.00 9.55 C ATOM 295 NE ARG A 67 32.057 33.924 8.626 1.00 9.76 N ATOM 296 CZ ARG A 67 31.339 33.550 9.691 1.00 10.74 C ATOM 297 NH1 ARG A 67 30.988 34.432 10.646 1.00 11.66 N ATOM 298 NH2 ARG A 67 30.995 32.239 9.808 1.00 10.36 N ATOM 0 H ARG A 67 36.537 33.082 10.088 1.00 8.32 H new ATOM 0 HA ARG A 67 36.575 35.559 9.249 1.00 9.01 H new ATOM 0 HB2 ARG A 67 34.920 34.220 8.404 1.00 8.93 H new ATOM 0 HB3 ARG A 67 34.410 33.836 9.826 1.00 8.93 H new ATOM 0 HG2 ARG A 67 33.461 35.896 10.135 1.00 8.88 H new ATOM 0 HG3 ARG A 67 34.183 36.480 8.882 1.00 8.88 H new ATOM 0 HD2 ARG A 67 31.809 35.928 8.511 1.00 9.55 H new ATOM 0 HD3 ARG A 67 32.770 35.377 7.413 1.00 9.55 H new ATOM 0 HE ARG A 67 32.261 33.315 8.054 1.00 9.76 H new ATOM 0 HH11 ARG A 67 31.226 35.256 10.579 1.00 11.66 H new ATOM 0 HH12 ARG A 67 30.526 34.172 11.323 1.00 11.66 H new ATOM 0 HH21 ARG A 67 31.239 31.675 9.206 1.00 10.36 H new ATOM 0 HH22 ARG A 67 30.534 31.974 10.484 1.00 10.36 H new ATOM 299 N ASN A 68 35.504 35.202 12.261 1.00 8.69 N ATOM 300 CA ASN A 68 35.255 35.963 13.509 1.00 8.15 C ATOM 301 C ASN A 68 36.554 36.596 14.075 1.00 8.06 C ATOM 302 O ASN A 68 36.484 37.723 14.586 1.00 8.85 O ATOM 303 CB ASN A 68 34.561 35.083 14.537 1.00 7.96 C ATOM 304 CG ASN A 68 33.109 34.864 14.196 1.00 10.19 C ATOM 305 OD1 ASN A 68 32.415 35.842 13.881 1.00 12.46 O ATOM 306 ND2 ASN A 68 32.635 33.640 14.311 1.00 8.94 N ATOM 0 H ASN A 68 35.388 34.352 12.313 1.00 8.69 H new ATOM 0 HA ASN A 68 34.663 36.701 13.294 1.00 8.15 H new ATOM 0 HB2 ASN A 68 35.014 34.227 14.589 1.00 7.96 H new ATOM 0 HB3 ASN A 68 34.629 35.493 15.413 1.00 7.96 H new ATOM 0 HD21 ASN A 68 31.802 33.486 14.165 1.00 8.94 H new ATOM 0 HD22 ASN A 68 33.159 32.995 14.533 1.00 8.94 H new ATOM 307 N LEU A 69 37.696 35.926 13.943 1.00 7.90 N ATOM 308 CA LEU A 69 38.978 36.535 14.362 1.00 6.83 C ATOM 309 C LEU A 69 39.241 37.806 13.576 1.00 7.53 C ATOM 310 O LEU A 69 39.520 38.846 14.148 1.00 7.88 O ATOM 311 CB LEU A 69 40.110 35.526 14.179 1.00 8.56 C ATOM 312 CG LEU A 69 41.501 36.092 14.471 1.00 6.56 C ATOM 313 CD1 LEU A 69 41.580 36.598 15.974 1.00 8.49 C ATOM 314 CD2 LEU A 69 42.565 35.023 14.173 1.00 8.34 C ATOM 0 H LEU A 69 37.760 35.131 13.620 1.00 7.90 H new ATOM 0 HA LEU A 69 38.929 36.774 15.301 1.00 6.83 H new ATOM 0 HB2 LEU A 69 39.951 34.767 14.761 1.00 8.56 H new ATOM 0 HB3 LEU A 69 40.091 35.194 13.268 1.00 8.56 H new ATOM 0 HG LEU A 69 41.672 36.855 13.897 1.00 6.56 H new ATOM 0 HD11 LEU A 69 42.465 36.955 16.149 1.00 8.49 H new ATOM 0 HD12 LEU A 69 40.918 37.292 16.117 1.00 8.49 H new ATOM 0 HD13 LEU A 69 41.406 35.857 16.575 1.00 8.49 H new ATOM 0 HD21 LEU A 69 43.446 35.383 14.358 1.00 8.34 H new ATOM 0 HD22 LEU A 69 42.409 34.246 14.733 1.00 8.34 H new ATOM 0 HD23 LEU A 69 42.512 34.764 13.240 1.00 8.34 H new ATOM 315 N ALA A 70 39.167 37.720 12.220 1.00 7.01 N ATOM 316 CA ALA A 70 39.426 38.913 11.404 1.00 7.30 C ATOM 317 C ALA A 70 38.422 40.030 11.722 1.00 6.77 C ATOM 318 O ALA A 70 38.811 41.220 11.779 1.00 7.58 O ATOM 319 CB ALA A 70 39.285 38.504 9.901 1.00 8.04 C ATOM 0 H ALA A 70 38.976 37.006 11.780 1.00 7.01 H new ATOM 0 HA ALA A 70 40.316 39.248 11.596 1.00 7.30 H new ATOM 0 HB1 ALA A 70 39.452 39.276 9.338 1.00 8.04 H new ATOM 0 HB2 ALA A 70 39.928 37.808 9.693 1.00 8.04 H new ATOM 0 HB3 ALA A 70 38.388 38.173 9.738 1.00 8.04 H new ATOM 320 N THR A 71 37.153 39.654 11.988 1.00 6.91 N ATOM 321 CA THR A 71 36.108 40.611 12.349 1.00 7.44 C ATOM 322 C THR A 71 36.400 41.293 13.679 1.00 7.02 C ATOM 323 O THR A 71 36.244 42.526 13.785 1.00 8.03 O ATOM 324 CB THR A 71 34.707 39.902 12.393 1.00 7.39 C ATOM 325 OG1 THR A 71 34.434 39.437 11.047 1.00 8.17 O ATOM 326 CG2 THR A 71 33.642 40.882 12.806 1.00 9.01 C ATOM 0 H THR A 71 36.885 38.837 11.962 1.00 6.91 H new ATOM 0 HA THR A 71 36.093 41.299 11.665 1.00 7.44 H new ATOM 0 HB THR A 71 34.711 39.171 13.031 1.00 7.39 H new ATOM 0 HG1 THR A 71 34.888 38.748 10.891 1.00 8.17 H new ATOM 0 HG21 THR A 71 32.782 40.434 12.830 1.00 9.01 H new ATOM 0 HG22 THR A 71 33.848 41.232 13.687 1.00 9.01 H new ATOM 0 HG23 THR A 71 33.609 41.612 12.168 1.00 9.01 H new ATOM 327 N THR A 72 36.832 40.506 14.676 1.00 7.57 N ATOM 328 CA THR A 72 37.117 41.088 15.993 1.00 7.77 C ATOM 329 C THR A 72 38.294 42.051 15.948 1.00 7.39 C ATOM 330 O THR A 72 38.240 43.177 16.503 1.00 7.76 O ATOM 331 CB THR A 72 37.374 39.973 17.044 1.00 7.91 C ATOM 332 OG1 THR A 72 36.249 39.063 17.046 1.00 8.08 O ATOM 333 CG2 THR A 72 37.516 40.622 18.432 1.00 8.57 C ATOM 0 H THR A 72 36.963 39.658 14.613 1.00 7.57 H new ATOM 0 HA THR A 72 36.333 41.595 16.257 1.00 7.77 H new ATOM 0 HB THR A 72 38.185 39.486 16.828 1.00 7.91 H new ATOM 0 HG1 THR A 72 36.254 38.609 16.339 1.00 8.08 H new ATOM 0 HG21 THR A 72 37.677 39.934 19.096 1.00 8.57 H new ATOM 0 HG22 THR A 72 38.261 41.244 18.424 1.00 8.57 H new ATOM 0 HG23 THR A 72 36.700 41.098 18.652 1.00 8.57 H new ATOM 334 N ILE A 73 39.377 41.639 15.280 1.00 7.30 N ATOM 335 CA ILE A 73 40.512 42.561 15.135 1.00 6.21 C ATOM 336 C ILE A 73 40.085 43.824 14.389 1.00 6.66 C ATOM 337 O ILE A 73 40.471 44.937 14.755 1.00 7.29 O ATOM 338 CB ILE A 73 41.679 41.844 14.396 1.00 6.60 C ATOM 339 CG1 ILE A 73 42.211 40.680 15.270 1.00 8.20 C ATOM 340 CG2 ILE A 73 42.810 42.903 14.079 1.00 7.94 C ATOM 341 CD1 ILE A 73 43.327 39.793 14.572 1.00 8.31 C ATOM 0 H ILE A 73 39.475 40.865 14.918 1.00 7.30 H new ATOM 0 HA ILE A 73 40.820 42.827 16.016 1.00 6.21 H new ATOM 0 HB ILE A 73 41.371 41.465 13.558 1.00 6.60 H new ATOM 0 HG12 ILE A 73 42.572 41.046 16.092 1.00 8.20 H new ATOM 0 HG13 ILE A 73 41.467 40.109 15.517 1.00 8.20 H new ATOM 0 HG21 ILE A 73 43.543 42.466 13.618 1.00 7.94 H new ATOM 0 HG22 ILE A 73 42.448 43.605 13.516 1.00 7.94 H new ATOM 0 HG23 ILE A 73 43.134 43.288 14.908 1.00 7.94 H new ATOM 0 HD11 ILE A 73 43.608 39.090 15.178 1.00 8.31 H new ATOM 0 HD12 ILE A 73 42.967 39.397 13.763 1.00 8.31 H new ATOM 0 HD13 ILE A 73 44.089 40.349 14.348 1.00 8.31 H new ATOM 342 N SER A 74 39.269 43.653 13.319 1.00 6.78 N ATOM 343 CA SER A 74 38.764 44.821 12.568 1.00 6.99 C ATOM 344 C SER A 74 37.881 45.747 13.421 1.00 7.88 C ATOM 345 O SER A 74 37.968 46.988 13.304 1.00 8.27 O ATOM 346 CB SER A 74 38.085 44.399 11.255 1.00 8.74 C ATOM 347 OG SER A 74 38.984 43.692 10.418 1.00 7.53 O ATOM 0 H SER A 74 39.006 42.890 13.023 1.00 6.78 H new ATOM 0 HA SER A 74 39.539 45.353 12.328 1.00 6.99 H new ATOM 0 HB2 SER A 74 37.315 43.842 11.450 1.00 8.74 H new ATOM 0 HB3 SER A 74 37.756 45.185 10.791 1.00 8.74 H new ATOM 0 HG SER A 74 39.057 42.901 10.690 1.00 7.53 H new ATOM 348 N LEU A 75 37.109 45.154 14.338 1.00 7.44 N ATOM 349 CA LEU A 75 36.317 45.998 15.266 1.00 7.78 C ATOM 350 C LEU A 75 37.214 46.758 16.254 1.00 7.40 C ATOM 351 O LEU A 75 36.917 47.923 16.540 1.00 7.31 O ATOM 352 CB LEU A 75 35.283 45.154 16.015 1.00 9.22 C ATOM 353 CG LEU A 75 34.019 44.804 15.269 1.00 10.56 C ATOM 354 CD1 LEU A 75 33.243 43.764 16.085 1.00 14.42 C ATOM 355 CD2 LEU A 75 33.137 46.093 15.063 1.00 12.10 C ATOM 0 H LEU A 75 37.026 44.305 14.444 1.00 7.44 H new ATOM 0 HA LEU A 75 35.850 46.658 14.731 1.00 7.78 H new ATOM 0 HB2 LEU A 75 35.710 44.328 16.290 1.00 9.22 H new ATOM 0 HB3 LEU A 75 35.035 45.628 16.824 1.00 9.22 H new ATOM 0 HG LEU A 75 34.241 44.442 14.397 1.00 10.56 H new ATOM 0 HD11 LEU A 75 32.426 43.529 15.617 1.00 14.42 H new ATOM 0 HD12 LEU A 75 33.789 42.970 16.201 1.00 14.42 H new ATOM 0 HD13 LEU A 75 33.022 44.134 16.954 1.00 14.42 H new ATOM 0 HD21 LEU A 75 32.327 45.858 14.583 1.00 12.10 H new ATOM 0 HD22 LEU A 75 32.903 46.467 15.927 1.00 12.10 H new ATOM 0 HD23 LEU A 75 33.637 46.749 14.552 1.00 12.10 H new ATOM 356 N TYR A 76 38.274 46.123 16.743 1.00 7.92 N ATOM 357 CA TYR A 76 39.264 46.868 17.551 1.00 7.65 C ATOM 358 C TYR A 76 39.803 48.081 16.762 1.00 7.53 C ATOM 359 O TYR A 76 39.766 49.213 17.246 1.00 8.01 O ATOM 360 CB TYR A 76 40.379 45.924 18.006 1.00 8.57 C ATOM 361 CG TYR A 76 41.658 46.661 18.349 1.00 8.00 C ATOM 362 CD1 TYR A 76 41.748 47.489 19.471 1.00 8.05 C ATOM 363 CD2 TYR A 76 42.811 46.501 17.573 1.00 8.68 C ATOM 364 CE1 TYR A 76 42.924 48.203 19.783 1.00 8.26 C ATOM 365 CE2 TYR A 76 43.988 47.224 17.854 1.00 10.85 C ATOM 366 CZ TYR A 76 44.042 48.045 18.974 1.00 9.43 C ATOM 367 OH TYR A 76 45.206 48.727 19.223 1.00 12.39 O ATOM 0 H TYR A 76 38.445 45.288 16.629 1.00 7.92 H new ATOM 0 HA TYR A 76 38.836 47.219 18.347 1.00 7.65 H new ATOM 0 HB2 TYR A 76 40.079 45.424 18.781 1.00 8.57 H new ATOM 0 HB3 TYR A 76 40.559 45.279 17.304 1.00 8.57 H new ATOM 0 HD1 TYR A 76 41.009 47.572 20.030 1.00 8.05 H new ATOM 0 HD2 TYR A 76 42.801 45.906 16.858 1.00 8.68 H new ATOM 0 HE1 TYR A 76 42.950 48.771 20.519 1.00 8.26 H new ATOM 0 HE2 TYR A 76 44.726 47.152 17.292 1.00 10.85 H new ATOM 0 HH TYR A 76 45.115 49.194 19.915 1.00 12.39 H new ATOM 368 N LEU A 77 40.232 47.848 15.512 1.00 7.89 N ATOM 369 CA LEU A 77 40.803 48.938 14.703 1.00 7.75 C ATOM 370 C LEU A 77 39.761 50.017 14.403 1.00 7.16 C ATOM 371 O LEU A 77 40.080 51.207 14.423 1.00 7.59 O ATOM 372 CB LEU A 77 41.390 48.403 13.401 1.00 8.19 C ATOM 373 CG LEU A 77 42.595 47.453 13.565 1.00 9.02 C ATOM 374 CD1 LEU A 77 42.885 46.849 12.163 1.00 10.88 C ATOM 375 CD2 LEU A 77 43.862 48.157 14.079 1.00 10.08 C ATOM 0 H LEU A 77 40.203 47.083 15.121 1.00 7.89 H new ATOM 0 HA LEU A 77 41.516 49.340 15.224 1.00 7.75 H new ATOM 0 HB2 LEU A 77 40.692 47.936 12.916 1.00 8.19 H new ATOM 0 HB3 LEU A 77 41.662 49.155 12.852 1.00 8.19 H new ATOM 0 HG LEU A 77 42.370 46.781 14.227 1.00 9.02 H new ATOM 0 HD11 LEU A 77 43.640 46.243 12.222 1.00 10.88 H new ATOM 0 HD12 LEU A 77 42.105 46.364 11.852 1.00 10.88 H new ATOM 0 HD13 LEU A 77 43.092 47.563 11.539 1.00 10.88 H new ATOM 0 HD21 LEU A 77 44.581 47.511 14.161 1.00 10.08 H new ATOM 0 HD22 LEU A 77 44.122 48.852 13.454 1.00 10.08 H new ATOM 0 HD23 LEU A 77 43.683 48.553 14.946 1.00 10.08 H new ATOM 376 N LYS A 78 38.520 49.611 14.136 1.00 7.37 N ATOM 377 CA LYS A 78 37.449 50.545 13.797 1.00 7.89 C ATOM 378 C LYS A 78 36.988 51.369 15.005 1.00 7.42 C ATOM 379 O LYS A 78 36.848 52.598 14.913 1.00 8.55 O ATOM 380 CB LYS A 78 36.289 49.752 13.180 1.00 8.42 C ATOM 381 CG LYS A 78 35.087 50.620 12.805 1.00 10.04 C ATOM 382 CD LYS A 78 34.136 49.802 11.862 1.00 10.44 C ATOM 383 CE LYS A 78 33.180 50.727 11.153 1.00 12.73 C ATOM 384 NZ LYS A 78 32.598 50.006 9.975 1.00 10.42 N ATOM 0 H LYS A 78 38.276 48.786 14.147 1.00 7.37 H new ATOM 0 HA LYS A 78 37.786 51.189 13.154 1.00 7.89 H new ATOM 0 HB2 LYS A 78 36.607 49.292 12.387 1.00 8.42 H new ATOM 0 HB3 LYS A 78 36.003 49.070 13.808 1.00 8.42 H new ATOM 0 HG2 LYS A 78 34.610 50.895 13.604 1.00 10.04 H new ATOM 0 HG3 LYS A 78 35.384 51.429 12.360 1.00 10.04 H new ATOM 0 HD2 LYS A 78 34.661 49.309 11.212 1.00 10.44 H new ATOM 0 HD3 LYS A 78 33.640 49.149 12.380 1.00 10.44 H new ATOM 0 HE2 LYS A 78 32.475 51.009 11.757 1.00 12.73 H new ATOM 0 HE3 LYS A 78 33.642 51.529 10.862 1.00 12.73 H new ATOM 0 HZ1 LYS A 78 32.147 50.582 9.468 1.00 10.42 H new ATOM 0 HZ2 LYS A 78 33.254 49.640 9.497 1.00 10.42 H new ATOM 0 HZ3 LYS A 78 32.047 49.368 10.260 1.00 10.42 H new ATOM 385 N PHE A 79 36.792 50.705 16.153 1.00 6.89 N ATOM 386 CA PHE A 79 36.474 51.450 17.376 1.00 6.93 C ATOM 387 C PHE A 79 37.610 52.450 17.683 1.00 6.13 C ATOM 388 O PHE A 79 37.350 53.607 18.077 1.00 7.59 O ATOM 389 CB PHE A 79 36.320 50.481 18.581 1.00 6.51 C ATOM 390 CG PHE A 79 34.940 49.822 18.688 1.00 7.72 C ATOM 391 CD1 PHE A 79 33.768 50.592 18.662 1.00 7.99 C ATOM 392 CD2 PHE A 79 34.846 48.462 18.900 1.00 7.80 C ATOM 393 CE1 PHE A 79 32.495 49.981 18.830 1.00 9.76 C ATOM 394 CE2 PHE A 79 33.573 47.842 19.052 1.00 9.09 C ATOM 395 CZ PHE A 79 32.442 48.596 18.998 1.00 10.15 C ATOM 0 H PHE A 79 36.837 49.851 16.243 1.00 6.89 H new ATOM 0 HA PHE A 79 35.639 51.924 17.238 1.00 6.93 H new ATOM 0 HB2 PHE A 79 36.994 49.787 18.512 1.00 6.51 H new ATOM 0 HB3 PHE A 79 36.498 50.969 19.400 1.00 6.51 H new ATOM 0 HD1 PHE A 79 33.824 51.511 18.534 1.00 7.99 H new ATOM 0 HD2 PHE A 79 35.619 47.947 18.944 1.00 7.80 H new ATOM 0 HE1 PHE A 79 31.717 50.491 18.828 1.00 9.76 H new ATOM 0 HE2 PHE A 79 33.515 46.924 19.188 1.00 9.09 H new ATOM 0 HZ PHE A 79 31.614 48.179 19.075 1.00 10.15 H new ATOM 396 N LYS A 80 38.874 52.031 17.505 1.00 6.94 N ATOM 397 CA LYS A 80 39.968 53.015 17.707 1.00 7.03 C ATOM 398 C LYS A 80 39.919 54.178 16.713 1.00 7.29 C ATOM 399 O LYS A 80 40.075 55.337 17.115 1.00 7.27 O ATOM 400 CB LYS A 80 41.361 52.381 17.684 1.00 7.85 C ATOM 401 CG LYS A 80 41.740 51.691 19.071 1.00 6.90 C ATOM 402 CD LYS A 80 41.668 52.689 20.265 1.00 7.64 C ATOM 403 CE LYS A 80 42.378 52.070 21.495 1.00 8.73 C ATOM 404 NZ LYS A 80 42.268 53.024 22.645 1.00 8.75 N ATOM 0 H LYS A 80 39.115 51.236 17.282 1.00 6.94 H new ATOM 0 HA LYS A 80 39.811 53.367 18.597 1.00 7.03 H new ATOM 0 HB2 LYS A 80 41.401 51.720 16.976 1.00 7.85 H new ATOM 0 HB3 LYS A 80 42.020 53.061 17.474 1.00 7.85 H new ATOM 0 HG2 LYS A 80 41.138 50.948 19.236 1.00 6.90 H new ATOM 0 HG3 LYS A 80 42.636 51.323 19.013 1.00 6.90 H new ATOM 0 HD2 LYS A 80 42.090 53.529 20.024 1.00 7.64 H new ATOM 0 HD3 LYS A 80 40.743 52.887 20.479 1.00 7.64 H new ATOM 0 HE2 LYS A 80 41.972 51.219 21.724 1.00 8.73 H new ATOM 0 HE3 LYS A 80 43.310 51.894 21.292 1.00 8.73 H new ATOM 0 HZ1 LYS A 80 42.835 52.782 23.287 1.00 8.75 H new ATOM 0 HZ2 LYS A 80 42.467 53.846 22.369 1.00 8.75 H new ATOM 0 HZ3 LYS A 80 41.437 53.011 22.963 1.00 8.75 H new ATOM 405 N LYS A 81 39.757 53.852 15.421 1.00 7.17 N ATOM 406 CA LYS A 81 39.727 54.958 14.435 1.00 8.65 C ATOM 407 C LYS A 81 38.615 55.964 14.787 1.00 8.62 C ATOM 408 O LYS A 81 38.849 57.188 14.752 1.00 8.67 O ATOM 409 CB LYS A 81 39.487 54.345 13.056 1.00 10.68 C ATOM 410 CG LYS A 81 39.292 55.327 11.893 1.00 14.10 C ATOM 411 CD LYS A 81 40.573 56.042 11.628 1.00 13.45 C ATOM 412 CE LYS A 81 40.606 56.639 10.151 1.00 13.05 C ATOM 413 NZ LYS A 81 41.315 57.954 10.253 1.00 11.37 N ATOM 0 H LYS A 81 39.668 53.057 15.106 1.00 7.17 H new ATOM 0 HA LYS A 81 40.568 55.442 14.443 1.00 8.65 H new ATOM 0 HB2 LYS A 81 40.239 53.770 12.845 1.00 10.68 H new ATOM 0 HB3 LYS A 81 38.702 53.778 13.109 1.00 10.68 H new ATOM 0 HG2 LYS A 81 39.006 54.850 11.098 1.00 14.10 H new ATOM 0 HG3 LYS A 81 38.593 55.964 12.108 1.00 14.10 H new ATOM 0 HD2 LYS A 81 40.685 56.759 12.272 1.00 13.45 H new ATOM 0 HD3 LYS A 81 41.318 55.432 11.750 1.00 13.45 H new ATOM 0 HE2 LYS A 81 41.070 56.040 9.545 1.00 13.05 H new ATOM 0 HE3 LYS A 81 39.708 56.755 9.803 1.00 13.05 H new ATOM 0 HZ1 LYS A 81 41.398 58.310 9.442 1.00 11.37 H new ATOM 0 HZ2 LYS A 81 40.846 58.505 10.772 1.00 11.37 H new ATOM 0 HZ3 LYS A 81 42.122 57.830 10.606 1.00 11.37 H new ATOM 414 N TYR A 82 37.418 55.471 15.136 1.00 8.18 N ATOM 415 CA TYR A 82 36.354 56.397 15.509 1.00 8.15 C ATOM 416 C TYR A 82 36.592 57.122 16.854 1.00 6.76 C ATOM 417 O TYR A 82 36.238 58.318 17.045 1.00 8.74 O ATOM 418 CB TYR A 82 34.999 55.693 15.513 1.00 7.60 C ATOM 419 CG TYR A 82 34.408 55.415 14.113 1.00 8.29 C ATOM 420 CD1 TYR A 82 34.890 56.073 12.954 1.00 8.79 C ATOM 421 CD2 TYR A 82 33.359 54.507 13.978 1.00 8.58 C ATOM 422 CE1 TYR A 82 34.279 55.805 11.663 1.00 8.13 C ATOM 423 CE2 TYR A 82 32.749 54.267 12.721 1.00 10.54 C ATOM 424 CZ TYR A 82 33.236 54.901 11.594 1.00 8.88 C ATOM 425 OH TYR A 82 32.641 54.685 10.327 1.00 11.08 O ATOM 0 H TYR A 82 37.212 54.636 15.162 1.00 8.18 H new ATOM 0 HA TYR A 82 36.359 57.088 14.829 1.00 8.15 H new ATOM 0 HB2 TYR A 82 35.088 54.851 15.986 1.00 7.60 H new ATOM 0 HB3 TYR A 82 34.369 56.234 16.014 1.00 7.60 H new ATOM 0 HD1 TYR A 82 35.596 56.675 13.020 1.00 8.79 H new ATOM 0 HD2 TYR A 82 33.053 54.049 14.728 1.00 8.58 H new ATOM 0 HE1 TYR A 82 34.585 56.234 10.897 1.00 8.13 H new ATOM 0 HE2 TYR A 82 32.025 53.686 12.655 1.00 10.54 H new ATOM 0 HH TYR A 82 32.230 53.952 10.332 1.00 11.08 H new ATOM 426 N HIS A 83 37.207 56.412 17.806 1.00 6.73 N ATOM 427 CA HIS A 83 37.656 57.027 19.074 1.00 7.25 C ATOM 428 C HIS A 83 38.603 58.171 18.807 1.00 7.79 C ATOM 429 O HIS A 83 38.521 59.236 19.428 1.00 7.92 O ATOM 430 CB HIS A 83 38.348 55.867 19.868 1.00 6.91 C ATOM 431 CG HIS A 83 39.141 56.235 21.110 1.00 6.65 C ATOM 432 ND1 HIS A 83 38.569 56.361 22.373 1.00 8.00 N ATOM 433 CD2 HIS A 83 40.499 56.277 21.297 1.00 6.25 C ATOM 434 CE1 HIS A 83 39.547 56.538 23.269 1.00 7.99 C ATOM 435 NE2 HIS A 83 40.723 56.464 22.650 1.00 6.27 N ATOM 0 H HIS A 83 37.376 55.571 17.742 1.00 6.73 H new ATOM 0 HA HIS A 83 36.922 57.409 19.580 1.00 7.25 H new ATOM 0 HB2 HIS A 83 37.661 55.234 20.129 1.00 6.91 H new ATOM 0 HB3 HIS A 83 38.945 55.404 19.260 1.00 6.91 H new ATOM 0 HD1 HIS A 83 37.728 56.330 22.548 1.00 8.00 H new ATOM 0 HD2 HIS A 83 41.149 56.195 20.637 1.00 6.25 H new ATOM 0 HE1 HIS A 83 39.425 56.689 24.179 1.00 7.99 H new ATOM 436 N TRP A 84 39.531 57.975 17.863 1.00 7.05 N ATOM 437 CA TRP A 84 40.521 59.019 17.577 1.00 7.20 C ATOM 438 C TRP A 84 39.933 60.170 16.772 1.00 7.52 C ATOM 439 O TRP A 84 40.404 61.312 16.962 1.00 8.21 O ATOM 440 CB TRP A 84 41.718 58.445 16.806 1.00 8.02 C ATOM 441 CG TRP A 84 42.511 57.451 17.628 1.00 7.80 C ATOM 442 CD1 TRP A 84 42.755 57.524 18.997 1.00 7.71 C ATOM 443 CD2 TRP A 84 43.183 56.253 17.154 1.00 7.59 C ATOM 444 NE1 TRP A 84 43.505 56.406 19.395 1.00 7.26 N ATOM 445 CE2 TRP A 84 43.757 55.609 18.300 1.00 6.17 C ATOM 446 CE3 TRP A 84 43.306 55.628 15.886 1.00 6.87 C ATOM 447 CZ2 TRP A 84 44.492 54.410 18.204 1.00 8.03 C ATOM 448 CZ3 TRP A 84 44.065 54.413 15.794 1.00 7.20 C ATOM 449 CH2 TRP A 84 44.655 53.835 16.956 1.00 7.40 C ATOM 0 H TRP A 84 39.604 57.262 17.388 1.00 7.05 H new ATOM 0 HA TRP A 84 40.811 59.359 18.438 1.00 7.20 H new ATOM 0 HB2 TRP A 84 41.401 58.013 15.997 1.00 8.02 H new ATOM 0 HB3 TRP A 84 42.300 59.170 16.531 1.00 8.02 H new ATOM 0 HD1 TRP A 84 42.466 58.206 19.559 1.00 7.71 H new ATOM 0 HE1 TRP A 84 43.767 56.244 20.198 1.00 7.26 H new ATOM 0 HE3 TRP A 84 42.904 55.997 15.133 1.00 6.87 H new ATOM 0 HZ2 TRP A 84 44.859 54.015 18.962 1.00 8.03 H new ATOM 0 HZ3 TRP A 84 44.173 53.999 14.968 1.00 7.20 H new ATOM 0 HH2 TRP A 84 45.159 53.057 16.874 1.00 7.40 H new ATOM 450 N ASP A 85 38.947 59.872 15.896 1.00 8.10 N ATOM 451 CA ASP A 85 38.494 60.924 14.951 1.00 8.56 C ATOM 452 C ASP A 85 37.211 61.685 15.397 1.00 8.82 C ATOM 453 O ASP A 85 36.904 62.735 14.810 1.00 8.00 O ATOM 454 CB ASP A 85 38.224 60.302 13.578 1.00 9.17 C ATOM 455 CG ASP A 85 39.489 60.082 12.760 1.00 9.60 C ATOM 456 OD1 ASP A 85 40.552 60.657 13.074 1.00 10.16 O ATOM 457 OD2 ASP A 85 39.388 59.295 11.787 1.00 9.52 O ATOM 0 H ASP A 85 38.548 59.113 15.832 1.00 8.10 H new ATOM 0 HA ASP A 85 39.215 61.573 14.924 1.00 8.56 H new ATOM 0 HB2 ASP A 85 37.771 59.452 13.698 1.00 9.17 H new ATOM 0 HB3 ASP A 85 37.621 60.877 13.082 1.00 9.17 H new ATOM 458 N ILE A 86 36.434 61.158 16.366 1.00 7.37 N ATOM 459 CA ILE A 86 35.173 61.809 16.706 1.00 7.81 C ATOM 460 C ILE A 86 35.453 63.276 17.146 1.00 8.95 C ATOM 461 O ILE A 86 36.408 63.561 17.906 1.00 7.83 O ATOM 462 CB ILE A 86 34.408 61.021 17.846 1.00 7.81 C ATOM 463 CG1 ILE A 86 33.090 61.725 18.244 1.00 8.36 C ATOM 464 CG2 ILE A 86 35.287 60.856 19.103 1.00 8.58 C ATOM 465 CD1 ILE A 86 31.990 61.684 17.099 1.00 10.10 C ATOM 0 H ILE A 86 36.619 60.450 16.818 1.00 7.37 H new ATOM 0 HA ILE A 86 34.602 61.811 15.922 1.00 7.81 H new ATOM 0 HB ILE A 86 34.200 60.146 17.482 1.00 7.81 H new ATOM 0 HG12 ILE A 86 32.734 61.305 19.042 1.00 8.36 H new ATOM 0 HG13 ILE A 86 33.279 62.649 18.470 1.00 8.36 H new ATOM 0 HG21 ILE A 86 34.793 60.371 19.782 1.00 8.58 H new ATOM 0 HG22 ILE A 86 36.090 60.363 18.874 1.00 8.58 H new ATOM 0 HG23 ILE A 86 35.531 61.730 19.444 1.00 8.58 H new ATOM 0 HD11 ILE A 86 31.189 62.138 17.403 1.00 10.10 H new ATOM 0 HD12 ILE A 86 32.331 62.127 16.306 1.00 10.10 H new ATOM 0 HD13 ILE A 86 31.777 60.762 16.887 1.00 10.10 H new ATOM 466 N ARG A 87 34.590 64.197 16.707 1.00 8.77 N ATOM 467 CA ARG A 87 34.614 65.569 17.242 1.00 8.20 C ATOM 468 C ARG A 87 33.174 65.995 17.492 1.00 8.52 C ATOM 469 O ARG A 87 32.218 65.285 17.150 1.00 9.92 O ATOM 470 CB ARG A 87 35.297 66.564 16.258 1.00 7.91 C ATOM 471 CG ARG A 87 36.805 66.312 16.168 1.00 7.31 C ATOM 472 CD ARG A 87 37.475 67.327 15.186 1.00 9.28 C ATOM 473 NE ARG A 87 37.475 68.725 15.671 1.00 9.67 N ATOM 474 CZ ARG A 87 38.430 69.258 16.453 1.00 10.55 C ATOM 475 NH1 ARG A 87 39.455 68.497 16.965 1.00 10.61 N ATOM 476 NH2 ARG A 87 38.395 70.557 16.757 1.00 11.32 N ATOM 0 H ARG A 87 33.990 64.054 16.108 1.00 8.77 H new ATOM 0 HA ARG A 87 35.131 65.582 18.063 1.00 8.20 H new ATOM 0 HB2 ARG A 87 34.899 66.476 15.378 1.00 7.91 H new ATOM 0 HB3 ARG A 87 35.136 67.474 16.552 1.00 7.91 H new ATOM 0 HG2 ARG A 87 37.205 66.394 17.048 1.00 7.31 H new ATOM 0 HG3 ARG A 87 36.969 65.405 15.865 1.00 7.31 H new ATOM 0 HD2 ARG A 87 38.391 67.050 15.025 1.00 9.28 H new ATOM 0 HD3 ARG A 87 37.014 67.290 14.334 1.00 9.28 H new ATOM 0 HE ARG A 87 36.820 69.231 15.437 1.00 9.67 H new ATOM 0 HH11 ARG A 87 39.497 67.657 16.787 1.00 10.61 H new ATOM 0 HH12 ARG A 87 40.054 68.862 17.463 1.00 10.61 H new ATOM 0 HH21 ARG A 87 37.762 71.053 16.453 1.00 11.32 H new ATOM 0 HH22 ARG A 87 39.006 70.898 17.257 1.00 11.32 H new ATOM 477 N GLY A 88 33.044 67.173 18.115 1.00 8.62 N ATOM 478 CA GLY A 88 31.735 67.750 18.428 1.00 9.12 C ATOM 479 C GLY A 88 31.258 67.403 19.834 1.00 9.42 C ATOM 480 O GLY A 88 31.984 66.783 20.634 1.00 10.03 O ATOM 0 H GLY A 88 33.710 67.656 18.366 1.00 8.62 H new ATOM 0 HA2 GLY A 88 31.781 68.714 18.335 1.00 9.12 H new ATOM 0 HA3 GLY A 88 31.084 67.433 17.783 1.00 9.12 H new ATOM 481 N ARG A 89 30.010 67.785 20.134 1.00 9.72 N ATOM 482 CA ARG A 89 29.576 67.849 21.520 1.00 9.80 C ATOM 483 C ARG A 89 29.335 66.481 22.165 1.00 10.47 C ATOM 484 O ARG A 89 29.186 66.415 23.419 1.00 11.96 O ATOM 485 CB ARG A 89 28.297 68.734 21.644 1.00 10.28 C ATOM 486 CG ARG A 89 27.047 68.116 20.985 1.00 12.09 C ATOM 487 CD ARG A 89 26.070 69.269 20.609 1.00 10.64 C ATOM 488 NE ARG A 89 24.800 68.745 20.109 1.00 11.81 N ATOM 489 CZ ARG A 89 24.581 68.216 18.891 1.00 13.69 C ATOM 490 NH1 ARG A 89 25.546 68.150 17.974 1.00 12.08 N ATOM 491 NH2 ARG A 89 23.359 67.759 18.565 1.00 14.10 N ATOM 0 H ARG A 89 29.414 68.006 19.555 1.00 9.72 H new ATOM 0 HA ARG A 89 30.311 68.250 22.010 1.00 9.80 H new ATOM 0 HB2 ARG A 89 28.113 68.892 22.583 1.00 10.28 H new ATOM 0 HB3 ARG A 89 28.471 69.598 21.240 1.00 10.28 H new ATOM 0 HG2 ARG A 89 27.296 67.613 20.194 1.00 12.09 H new ATOM 0 HG3 ARG A 89 26.617 67.494 21.593 1.00 12.09 H new ATOM 0 HD2 ARG A 89 25.909 69.826 21.386 1.00 10.64 H new ATOM 0 HD3 ARG A 89 26.477 69.834 19.934 1.00 10.64 H new ATOM 0 HE ARG A 89 24.128 68.778 20.645 1.00 11.81 H new ATOM 0 HH11 ARG A 89 26.332 68.450 18.154 1.00 12.08 H new ATOM 0 HH12 ARG A 89 25.383 67.808 17.202 1.00 12.08 H new ATOM 0 HH21 ARG A 89 22.717 67.805 19.135 1.00 14.10 H new ATOM 0 HH22 ARG A 89 23.220 67.421 17.786 1.00 14.10 H new ATOM 492 N PHE A 90 29.328 65.418 21.367 1.00 9.23 N ATOM 493 CA PHE A 90 29.199 64.029 21.902 1.00 10.81 C ATOM 494 C PHE A 90 30.575 63.372 22.039 1.00 9.20 C ATOM 495 O PHE A 90 30.662 62.162 22.237 1.00 10.33 O ATOM 496 CB PHE A 90 28.260 63.166 21.049 1.00 11.79 C ATOM 497 CG PHE A 90 26.886 63.810 20.918 1.00 14.76 C ATOM 498 CD1 PHE A 90 26.070 63.940 22.036 1.00 17.77 C ATOM 499 CD2 PHE A 90 26.511 64.382 19.702 1.00 14.89 C ATOM 500 CE1 PHE A 90 24.815 64.608 21.954 1.00 19.96 C ATOM 501 CE2 PHE A 90 25.257 65.037 19.590 1.00 18.88 C ATOM 502 CZ PHE A 90 24.441 65.155 20.716 1.00 17.52 C ATOM 0 H PHE A 90 29.396 65.462 20.511 1.00 9.23 H new ATOM 0 HA PHE A 90 28.800 64.095 22.784 1.00 10.81 H new ATOM 0 HB2 PHE A 90 28.645 63.038 20.168 1.00 11.79 H new ATOM 0 HB3 PHE A 90 28.171 62.287 21.450 1.00 11.79 H new ATOM 0 HD1 PHE A 90 26.348 63.585 22.850 1.00 17.77 H new ATOM 0 HD2 PHE A 90 27.080 64.334 18.968 1.00 14.89 H new ATOM 0 HE1 PHE A 90 24.260 64.680 22.697 1.00 19.96 H new ATOM 0 HE2 PHE A 90 24.981 65.385 18.773 1.00 18.88 H new ATOM 0 HZ PHE A 90 23.631 65.606 20.645 1.00 17.52 H new ATOM 503 N PHE A 91 31.642 64.168 21.938 1.00 9.27 N ATOM 504 CA PHE A 91 33.001 63.623 22.043 1.00 8.85 C ATOM 505 C PHE A 91 33.213 62.743 23.293 1.00 7.82 C ATOM 506 O PHE A 91 33.694 61.600 23.179 1.00 8.19 O ATOM 507 CB PHE A 91 34.048 64.750 22.109 1.00 8.78 C ATOM 508 CG PHE A 91 35.454 64.218 22.256 1.00 8.31 C ATOM 509 CD1 PHE A 91 36.186 63.852 21.134 1.00 8.89 C ATOM 510 CD2 PHE A 91 36.009 64.073 23.522 1.00 8.24 C ATOM 511 CE1 PHE A 91 37.491 63.340 21.261 1.00 8.55 C ATOM 512 CE2 PHE A 91 37.303 63.554 23.681 1.00 7.82 C ATOM 513 CZ PHE A 91 38.048 63.152 22.562 1.00 6.97 C ATOM 0 H PHE A 91 31.603 65.018 21.810 1.00 9.27 H new ATOM 0 HA PHE A 91 33.111 63.080 21.247 1.00 8.85 H new ATOM 0 HB2 PHE A 91 33.991 65.289 21.305 1.00 8.78 H new ATOM 0 HB3 PHE A 91 33.845 65.334 22.857 1.00 8.78 H new ATOM 0 HD1 PHE A 91 35.810 63.946 20.289 1.00 8.89 H new ATOM 0 HD2 PHE A 91 35.518 64.322 24.271 1.00 8.24 H new ATOM 0 HE1 PHE A 91 37.986 63.126 20.504 1.00 8.55 H new ATOM 0 HE2 PHE A 91 37.669 63.476 24.533 1.00 7.82 H new ATOM 0 HZ PHE A 91 38.890 62.770 22.666 1.00 6.97 H new ATOM 514 N ARG A 92 32.834 63.254 24.477 1.00 8.07 N ATOM 515 CA ARG A 92 33.080 62.403 25.682 1.00 8.84 C ATOM 516 C ARG A 92 32.215 61.160 25.686 1.00 9.64 C ATOM 517 O ARG A 92 32.698 60.042 26.046 1.00 10.91 O ATOM 518 CB AARG A 92 32.728 63.175 26.970 0.50 9.18 C ATOM 519 CG AARG A 92 33.705 64.288 27.261 0.50 8.85 C ATOM 520 CD AARG A 92 34.904 63.765 28.007 0.50 9.88 C ATOM 521 NE AARG A 92 34.554 63.254 29.331 0.50 8.21 N ATOM 522 CZ AARG A 92 35.421 62.650 30.142 0.50 8.92 C ATOM 523 NH1AARG A 92 36.694 62.501 29.764 0.50 9.86 N ATOM 524 NH2AARG A 92 35.007 62.216 31.326 0.50 8.26 N ATOM 525 CB BARG A 92 32.971 63.201 27.002 0.50 9.57 C ATOM 526 CG BARG A 92 34.046 64.310 27.115 0.50 9.18 C ATOM 527 CD BARG A 92 35.497 63.806 27.298 0.50 12.36 C ATOM 528 NE BARG A 92 35.694 63.102 28.558 0.50 12.76 N ATOM 529 CZ BARG A 92 36.873 62.680 29.022 0.50 11.66 C ATOM 530 NH1BARG A 92 37.989 62.877 28.339 0.50 16.43 N ATOM 531 NH2BARG A 92 36.942 62.028 30.156 0.50 15.55 N ATOM 0 H ARG A 92 32.465 64.019 24.611 1.00 8.07 H new ATOM 0 HA ARG A 92 34.019 62.161 25.651 1.00 8.84 H new ATOM 0 HB2AARG A 92 31.835 63.545 26.888 0.50 9.57 H new ATOM 0 HB2BARG A 92 32.090 63.602 27.062 0.50 9.57 H new ATOM 0 HB3AARG A 92 32.712 62.559 27.719 0.50 9.57 H new ATOM 0 HB3BARG A 92 33.058 62.593 27.752 0.50 9.57 H new ATOM 0 HG2AARG A 92 33.990 64.699 26.430 0.50 9.18 H new ATOM 0 HG2BARG A 92 34.008 64.859 26.317 0.50 9.18 H new ATOM 0 HG3AARG A 92 33.269 64.978 27.785 0.50 9.18 H new ATOM 0 HG3BARG A 92 33.821 64.883 27.865 0.50 9.18 H new ATOM 0 HD2AARG A 92 35.321 63.058 27.490 0.50 12.36 H new ATOM 0 HD2BARG A 92 35.725 63.216 26.563 0.50 12.36 H new ATOM 0 HD3AARG A 92 35.560 64.474 28.099 0.50 12.36 H new ATOM 0 HD3BARG A 92 36.105 64.560 27.255 0.50 12.36 H new ATOM 0 HE AARG A 92 33.743 63.349 29.601 0.50 12.76 H new ATOM 0 HE BARG A 92 34.999 62.946 29.039 0.50 12.76 H new ATOM 0 HH11AARG A 92 36.952 62.795 28.998 0.50 16.43 H new ATOM 0 HH11BARG A 92 37.963 63.283 27.582 0.50 16.43 H new ATOM 0 HH12AARG A 92 37.255 62.111 30.287 0.50 16.43 H new ATOM 0 HH12BARG A 92 38.740 62.599 28.653 0.50 16.43 H new ATOM 0 HH21AARG A 92 34.187 62.326 31.562 0.50 15.55 H new ATOM 0 HH21BARG A 92 36.226 61.870 30.605 0.50 15.55 H new ATOM 0 HH22AARG A 92 35.558 61.825 31.857 0.50 15.55 H new ATOM 0 HH22BARG A 92 37.703 61.758 30.451 0.50 15.55 H new ATOM 532 N ASP A 93 30.960 61.288 25.262 1.00 9.36 N ATOM 533 CA ASP A 93 30.093 60.121 25.236 1.00 10.14 C ATOM 534 C ASP A 93 30.699 58.973 24.405 1.00 9.96 C ATOM 535 O ASP A 93 30.720 57.805 24.837 1.00 10.73 O ATOM 536 CB ASP A 93 28.730 60.468 24.634 1.00 11.38 C ATOM 537 CG ASP A 93 28.046 61.575 25.376 1.00 16.62 C ATOM 538 OD1 ASP A 93 27.237 61.267 26.251 1.00 22.08 O ATOM 539 OD2 ASP A 93 28.302 62.765 25.107 1.00 18.91 O ATOM 0 H ASP A 93 30.601 62.022 24.993 1.00 9.36 H new ATOM 0 HA ASP A 93 29.994 59.834 26.157 1.00 10.14 H new ATOM 0 HB2 ASP A 93 28.845 60.726 23.706 1.00 11.38 H new ATOM 0 HB3 ASP A 93 28.165 59.679 24.641 1.00 11.38 H new ATOM 540 N LEU A 94 31.141 59.297 23.177 1.00 8.09 N ATOM 541 CA LEU A 94 31.565 58.254 22.237 1.00 8.28 C ATOM 542 C LEU A 94 33.058 57.898 22.442 1.00 7.25 C ATOM 543 O LEU A 94 33.379 56.713 22.407 1.00 7.98 O ATOM 544 CB LEU A 94 31.285 58.727 20.795 1.00 7.11 C ATOM 545 CG LEU A 94 29.772 58.850 20.552 1.00 9.85 C ATOM 546 CD1 LEU A 94 29.583 59.470 19.098 1.00 11.49 C ATOM 547 CD2 LEU A 94 29.116 57.458 20.627 1.00 10.45 C ATOM 0 H LEU A 94 31.201 60.101 22.877 1.00 8.09 H new ATOM 0 HA LEU A 94 31.057 57.444 22.403 1.00 8.28 H new ATOM 0 HB2 LEU A 94 31.713 59.584 20.641 1.00 7.11 H new ATOM 0 HB3 LEU A 94 31.670 58.100 20.163 1.00 7.11 H new ATOM 0 HG LEU A 94 29.355 59.414 21.222 1.00 9.85 H new ATOM 0 HD11 LEU A 94 28.637 59.564 18.906 1.00 11.49 H new ATOM 0 HD12 LEU A 94 30.008 60.341 19.060 1.00 11.49 H new ATOM 0 HD13 LEU A 94 29.989 58.883 18.441 1.00 11.49 H new ATOM 0 HD21 LEU A 94 28.162 57.541 20.473 1.00 10.45 H new ATOM 0 HD22 LEU A 94 29.503 56.881 19.950 1.00 10.45 H new ATOM 0 HD23 LEU A 94 29.269 57.075 21.505 1.00 10.45 H new ATOM 548 N HIS A 95 33.945 58.882 22.645 1.00 7.27 N ATOM 549 CA HIS A 95 35.371 58.585 22.858 1.00 6.36 C ATOM 550 C HIS A 95 35.499 57.549 23.978 1.00 7.04 C ATOM 551 O HIS A 95 36.204 56.538 23.825 1.00 7.04 O ATOM 552 CB HIS A 95 36.120 59.891 23.195 1.00 6.87 C ATOM 553 CG HIS A 95 37.613 59.734 23.322 1.00 7.90 C ATOM 554 ND1 HIS A 95 38.427 59.621 22.213 1.00 7.76 N ATOM 555 CD2 HIS A 95 38.430 59.696 24.408 1.00 8.19 C ATOM 556 CE1 HIS A 95 39.698 59.553 22.611 1.00 7.74 C ATOM 557 NE2 HIS A 95 39.723 59.574 23.941 1.00 7.01 N ATOM 0 H HIS A 95 33.745 59.718 22.663 1.00 7.27 H new ATOM 0 HA HIS A 95 35.769 58.214 22.055 1.00 6.36 H new ATOM 0 HB2 HIS A 95 35.932 60.547 22.505 1.00 6.87 H new ATOM 0 HB3 HIS A 95 35.771 60.246 24.027 1.00 6.87 H new ATOM 0 HD1 HIS A 95 38.158 59.598 21.397 1.00 7.76 H new ATOM 0 HD2 HIS A 95 38.167 59.743 25.299 1.00 8.19 H new ATOM 0 HE1 HIS A 95 40.441 59.500 22.054 1.00 7.74 H new ATOM 0 HE2 HIS A 95 40.429 59.520 24.429 1.00 7.01 H new ATOM 558 N LEU A 96 34.827 57.809 25.115 1.00 7.25 N ATOM 559 CA LEU A 96 34.947 56.867 26.264 1.00 6.72 C ATOM 560 C LEU A 96 34.201 55.563 25.987 1.00 7.78 C ATOM 561 O LEU A 96 34.701 54.469 26.314 1.00 8.56 O ATOM 562 CB ALEU A 96 34.424 57.534 27.537 0.85 6.96 C ATOM 563 CG ALEU A 96 35.266 58.724 27.985 0.85 10.31 C ATOM 564 CD1ALEU A 96 34.633 59.270 29.273 0.85 12.46 C ATOM 565 CD2ALEU A 96 36.721 58.407 28.197 0.85 14.97 C ATOM 566 CB BLEU A 96 34.431 57.502 27.554 0.15 6.11 C ATOM 567 CG BLEU A 96 35.469 58.243 28.393 0.15 3.12 C ATOM 568 CD1BLEU A 96 36.036 59.428 27.606 0.15 2.00 C ATOM 569 CD2BLEU A 96 34.821 58.678 29.691 0.15 2.75 C ATOM 0 H LEU A 96 34.318 58.490 25.245 1.00 7.25 H new ATOM 0 HA LEU A 96 35.884 56.646 26.387 1.00 6.72 H new ATOM 0 HB2ALEU A 96 33.512 57.829 27.389 0.85 6.11 H new ATOM 0 HB2BLEU A 96 33.721 58.123 27.327 0.15 6.11 H new ATOM 0 HB3ALEU A 96 34.397 56.878 28.251 0.85 6.11 H new ATOM 0 HB3BLEU A 96 34.035 56.806 28.101 0.15 6.11 H new ATOM 0 HG ALEU A 96 35.263 59.383 27.273 0.85 3.12 H new ATOM 0 HG BLEU A 96 36.216 57.660 28.602 0.15 3.12 H new ATOM 0 HD11ALEU A 96 35.145 60.031 29.588 0.85 2.00 H new ATOM 0 HD11BLEU A 96 36.694 59.891 28.148 0.15 2.00 H new ATOM 0 HD12ALEU A 96 33.721 59.546 29.093 0.85 2.00 H new ATOM 0 HD12BLEU A 96 36.456 59.106 26.793 0.15 2.00 H new ATOM 0 HD13ALEU A 96 34.633 58.578 29.952 0.85 2.00 H new ATOM 0 HD13BLEU A 96 35.318 60.039 27.378 0.15 2.00 H new ATOM 0 HD21ALEU A 96 37.189 59.208 28.479 0.85 2.75 H new ATOM 0 HD21BLEU A 96 35.470 59.151 30.235 0.15 2.75 H new ATOM 0 HD22ALEU A 96 36.807 57.725 28.881 0.85 2.75 H new ATOM 0 HD22BLEU A 96 34.073 59.265 29.499 0.15 2.75 H new ATOM 0 HD23ALEU A 96 37.106 58.083 27.368 0.85 2.75 H new ATOM 0 HD23BLEU A 96 34.504 57.898 30.172 0.15 2.75 H new ATOM 570 N ALA A 97 33.010 55.630 25.379 1.00 7.25 N ATOM 571 CA ALA A 97 32.279 54.368 25.130 1.00 7.67 C ATOM 572 C ALA A 97 33.080 53.398 24.262 1.00 6.50 C ATOM 573 O ALA A 97 33.114 52.174 24.517 1.00 7.35 O ATOM 574 CB ALA A 97 30.916 54.659 24.462 1.00 7.77 C ATOM 0 H ALA A 97 32.621 56.350 25.114 1.00 7.25 H new ATOM 0 HA ALA A 97 32.138 53.947 25.992 1.00 7.67 H new ATOM 0 HB1 ALA A 97 30.448 53.824 24.305 1.00 7.77 H new ATOM 0 HB2 ALA A 97 30.384 55.223 25.045 1.00 7.77 H new ATOM 0 HB3 ALA A 97 31.060 55.113 23.617 1.00 7.77 H new ATOM 575 N TYR A 98 33.701 53.935 23.192 1.00 7.33 N ATOM 576 CA TYR A 98 34.420 53.017 22.272 1.00 7.97 C ATOM 577 C TYR A 98 35.536 52.266 23.005 1.00 6.97 C ATOM 578 O TYR A 98 35.784 51.078 22.728 1.00 7.77 O ATOM 579 CB TYR A 98 35.010 53.800 21.097 1.00 7.93 C ATOM 580 CG TYR A 98 33.963 54.479 20.204 1.00 7.86 C ATOM 581 CD1 TYR A 98 32.649 53.940 20.022 1.00 9.40 C ATOM 582 CD2 TYR A 98 34.315 55.648 19.488 1.00 8.54 C ATOM 583 CE1 TYR A 98 31.735 54.563 19.144 1.00 8.02 C ATOM 584 CE2 TYR A 98 33.363 56.269 18.602 1.00 9.05 C ATOM 585 CZ TYR A 98 32.105 55.699 18.462 1.00 10.24 C ATOM 586 OH TYR A 98 31.200 56.297 17.602 1.00 10.68 O ATOM 0 H TYR A 98 33.721 54.770 22.988 1.00 7.33 H new ATOM 0 HA TYR A 98 33.781 52.368 21.937 1.00 7.97 H new ATOM 0 HB2 TYR A 98 35.613 54.477 21.443 1.00 7.93 H new ATOM 0 HB3 TYR A 98 35.541 53.197 20.554 1.00 7.93 H new ATOM 0 HD1 TYR A 98 32.396 53.174 20.485 1.00 9.40 H new ATOM 0 HD2 TYR A 98 35.163 56.016 19.590 1.00 8.54 H new ATOM 0 HE1 TYR A 98 30.884 54.206 19.027 1.00 8.02 H new ATOM 0 HE2 TYR A 98 33.588 57.039 18.132 1.00 9.05 H new ATOM 0 HH TYR A 98 31.593 56.879 17.142 1.00 10.68 H new ATOM 587 N ASP A 99 36.206 52.940 23.960 1.00 7.44 N ATOM 588 CA ASP A 99 37.258 52.206 24.710 1.00 7.08 C ATOM 589 C ASP A 99 36.657 51.134 25.618 1.00 7.41 C ATOM 590 O ASP A 99 37.255 50.064 25.814 1.00 7.31 O ATOM 591 CB ASP A 99 38.067 53.159 25.571 1.00 7.16 C ATOM 592 CG ASP A 99 39.369 53.644 24.900 1.00 9.76 C ATOM 593 OD1 ASP A 99 39.680 53.234 23.748 1.00 8.78 O ATOM 594 OD2 ASP A 99 40.064 54.437 25.593 1.00 9.02 O ATOM 0 H ASP A 99 36.083 53.762 24.180 1.00 7.44 H new ATOM 0 HA ASP A 99 37.829 51.783 24.050 1.00 7.08 H new ATOM 0 HB2 ASP A 99 37.519 53.929 25.791 1.00 7.16 H new ATOM 0 HB3 ASP A 99 38.287 52.720 26.407 1.00 7.16 H new ATOM 595 N GLU A 100 35.470 51.403 26.192 1.00 7.18 N ATOM 596 CA GLU A 100 34.827 50.376 27.045 1.00 7.91 C ATOM 597 C GLU A 100 34.422 49.181 26.198 1.00 7.97 C ATOM 598 O GLU A 100 34.607 48.027 26.595 1.00 8.54 O ATOM 599 CB GLU A 100 33.587 50.975 27.726 1.00 8.50 C ATOM 600 CG GLU A 100 33.945 52.032 28.799 1.00 12.37 C ATOM 601 CD GLU A 100 32.732 52.697 29.421 0.60 13.51 C ATOM 602 OE1 GLU A 100 31.669 52.062 29.430 0.60 14.86 O ATOM 603 OE2 GLU A 100 32.895 53.853 29.901 0.60 19.35 O ATOM 0 H GLU A 100 35.035 52.140 26.107 1.00 7.18 H new ATOM 0 HA GLU A 100 35.456 50.084 27.723 1.00 7.91 H new ATOM 0 HB2 GLU A 100 33.019 51.382 27.054 1.00 8.50 H new ATOM 0 HB3 GLU A 100 33.073 50.263 28.138 1.00 8.50 H new ATOM 0 HG2 GLU A 100 34.467 51.609 29.498 1.00 12.37 H new ATOM 0 HG3 GLU A 100 34.508 52.712 28.397 1.00 12.37 H new ATOM 604 N PHE A 101 33.975 49.458 24.963 1.00 7.09 N ATOM 605 CA PHE A 101 33.552 48.343 24.077 1.00 6.73 C ATOM 606 C PHE A 101 34.789 47.550 23.633 1.00 7.34 C ATOM 607 O PHE A 101 34.741 46.314 23.567 1.00 8.15 O ATOM 608 CB PHE A 101 32.826 48.927 22.838 1.00 7.52 C ATOM 609 CG PHE A 101 31.587 49.715 23.190 1.00 7.02 C ATOM 610 CD1 PHE A 101 30.874 49.497 24.382 1.00 7.76 C ATOM 611 CD2 PHE A 101 31.126 50.681 22.288 1.00 8.57 C ATOM 612 CE1 PHE A 101 29.662 50.263 24.693 1.00 9.73 C ATOM 613 CE2 PHE A 101 29.927 51.434 22.576 1.00 9.60 C ATOM 614 CZ PHE A 101 29.210 51.224 23.758 1.00 10.22 C ATOM 0 H PHE A 101 33.908 50.246 24.625 1.00 7.09 H new ATOM 0 HA PHE A 101 32.949 47.751 24.554 1.00 6.73 H new ATOM 0 HB2 PHE A 101 33.439 49.500 22.352 1.00 7.52 H new ATOM 0 HB3 PHE A 101 32.582 48.202 22.242 1.00 7.52 H new ATOM 0 HD1 PHE A 101 31.176 48.856 24.984 1.00 7.76 H new ATOM 0 HD2 PHE A 101 31.594 50.839 21.500 1.00 8.57 H new ATOM 0 HE1 PHE A 101 29.201 50.120 25.488 1.00 9.73 H new ATOM 0 HE2 PHE A 101 29.627 52.068 21.966 1.00 9.60 H new ATOM 0 HZ PHE A 101 28.439 51.714 23.929 1.00 10.22 H new ATOM 615 N ILE A 102 35.915 48.233 23.363 1.00 7.61 N ATOM 616 CA ILE A 102 37.151 47.512 23.006 1.00 7.44 C ATOM 617 C ILE A 102 37.529 46.594 24.173 1.00 7.67 C ATOM 618 O ILE A 102 37.906 45.453 23.949 1.00 8.01 O ATOM 619 CB ILE A 102 38.310 48.511 22.705 1.00 7.30 C ATOM 620 CG1 ILE A 102 38.059 49.167 21.316 1.00 7.71 C ATOM 621 CG2 ILE A 102 39.686 47.797 22.755 1.00 8.24 C ATOM 622 CD1 ILE A 102 38.924 50.455 21.136 1.00 8.01 C ATOM 0 H ILE A 102 35.984 49.090 23.380 1.00 7.61 H new ATOM 0 HA ILE A 102 37.001 46.987 22.204 1.00 7.44 H new ATOM 0 HB ILE A 102 38.328 49.203 23.384 1.00 7.30 H new ATOM 0 HG12 ILE A 102 38.269 48.532 20.613 1.00 7.71 H new ATOM 0 HG13 ILE A 102 37.119 49.390 21.226 1.00 7.71 H new ATOM 0 HG21 ILE A 102 40.390 48.437 22.565 1.00 8.24 H new ATOM 0 HG22 ILE A 102 39.823 47.419 23.638 1.00 8.24 H new ATOM 0 HG23 ILE A 102 39.707 47.088 22.093 1.00 8.24 H new ATOM 0 HD11 ILE A 102 38.749 50.843 20.264 1.00 8.01 H new ATOM 0 HD12 ILE A 102 38.697 51.097 21.827 1.00 8.01 H new ATOM 0 HD13 ILE A 102 39.864 50.226 21.205 1.00 8.01 H new ATOM 623 N ALA A 103 37.459 47.112 25.404 1.00 7.63 N ATOM 624 CA ALA A 103 37.862 46.289 26.554 1.00 7.88 C ATOM 625 C ALA A 103 36.987 45.027 26.671 1.00 8.06 C ATOM 626 O ALA A 103 37.506 43.951 27.072 1.00 11.30 O ATOM 627 CB ALA A 103 37.809 47.109 27.810 1.00 7.56 C ATOM 0 H ALA A 103 37.192 47.907 25.593 1.00 7.63 H new ATOM 0 HA ALA A 103 38.775 45.991 26.418 1.00 7.88 H new ATOM 0 HB1 ALA A 103 38.076 46.562 28.565 1.00 7.56 H new ATOM 0 HB2 ALA A 103 38.412 47.864 27.729 1.00 7.56 H new ATOM 0 HB3 ALA A 103 36.905 47.432 27.948 1.00 7.56 H new ATOM 628 N GLU A 104 35.707 45.131 26.287 1.00 8.83 N ATOM 629 CA GLU A 104 34.835 43.944 26.335 1.00 10.06 C ATOM 630 C GLU A 104 35.181 42.892 25.288 1.00 10.39 C ATOM 631 O GLU A 104 35.109 41.673 25.577 1.00 13.18 O ATOM 632 CB GLU A 104 33.410 44.358 26.127 1.00 12.45 C ATOM 633 CG GLU A 104 32.899 45.218 27.257 1.00 17.35 C ATOM 634 CD GLU A 104 32.091 44.386 28.163 0.75 27.20 C ATOM 635 OE1 GLU A 104 30.836 44.460 28.040 0.75 31.94 O ATOM 636 OE2 GLU A 104 32.709 43.600 28.909 0.75 29.45 O ATOM 0 H GLU A 104 35.333 45.852 26.005 1.00 8.83 H new ATOM 0 HA GLU A 104 34.970 43.545 27.209 1.00 10.06 H new ATOM 0 HB2 GLU A 104 33.334 44.845 25.292 1.00 12.45 H new ATOM 0 HB3 GLU A 104 32.853 43.568 26.046 1.00 12.45 H new ATOM 0 HG2 GLU A 104 33.642 45.614 27.739 1.00 17.35 H new ATOM 0 HG3 GLU A 104 32.365 45.949 26.907 1.00 17.35 H new ATOM 637 N ILE A 105 35.531 43.339 24.075 1.00 8.31 N ATOM 638 CA ILE A 105 35.754 42.369 22.994 1.00 8.39 C ATOM 639 C ILE A 105 37.221 41.933 22.860 1.00 7.35 C ATOM 640 O ILE A 105 37.508 40.886 22.278 1.00 8.04 O ATOM 641 CB ILE A 105 35.276 42.898 21.600 1.00 8.01 C ATOM 642 CG1 ILE A 105 36.098 44.101 21.166 1.00 10.17 C ATOM 643 CG2 ILE A 105 33.766 43.190 21.675 1.00 10.63 C ATOM 644 CD1 ILE A 105 35.893 44.428 19.627 1.00 12.72 C ATOM 0 H ILE A 105 35.641 44.165 23.863 1.00 8.31 H new ATOM 0 HA ILE A 105 35.220 41.602 23.254 1.00 8.39 H new ATOM 0 HB ILE A 105 35.417 42.225 20.916 1.00 8.01 H new ATOM 0 HG12 ILE A 105 35.847 44.873 21.697 1.00 10.17 H new ATOM 0 HG13 ILE A 105 37.037 43.931 21.339 1.00 10.17 H new ATOM 0 HG21 ILE A 105 33.457 43.519 20.816 1.00 10.63 H new ATOM 0 HG22 ILE A 105 33.289 42.375 21.899 1.00 10.63 H new ATOM 0 HG23 ILE A 105 33.599 43.860 22.356 1.00 10.63 H new ATOM 0 HD11 ILE A 105 36.430 45.199 19.385 1.00 12.72 H new ATOM 0 HD12 ILE A 105 36.166 43.664 19.095 1.00 12.72 H new ATOM 0 HD13 ILE A 105 34.957 44.621 19.459 1.00 12.72 H new ATOM 645 N PHE A 106 38.151 42.721 23.393 1.00 6.72 N ATOM 646 CA PHE A 106 39.553 42.468 23.095 1.00 7.02 C ATOM 647 C PHE A 106 40.064 41.060 23.475 1.00 8.01 C ATOM 648 O PHE A 106 40.807 40.452 22.700 1.00 7.62 O ATOM 649 CB PHE A 106 40.458 43.594 23.689 1.00 7.77 C ATOM 650 CG PHE A 106 41.848 43.635 23.070 1.00 7.77 C ATOM 651 CD1 PHE A 106 42.096 44.388 21.911 1.00 8.34 C ATOM 652 CD2 PHE A 106 42.875 42.912 23.652 1.00 9.40 C ATOM 653 CE1 PHE A 106 43.384 44.386 21.337 1.00 9.89 C ATOM 654 CE2 PHE A 106 44.171 42.923 23.070 1.00 11.17 C ATOM 655 CZ PHE A 106 44.392 43.652 21.931 1.00 10.68 C ATOM 0 H PHE A 106 37.997 43.388 23.914 1.00 6.72 H new ATOM 0 HA PHE A 106 39.615 42.487 22.127 1.00 7.02 H new ATOM 0 HB2 PHE A 106 40.026 44.452 23.556 1.00 7.77 H new ATOM 0 HB3 PHE A 106 40.540 43.463 24.647 1.00 7.77 H new ATOM 0 HD1 PHE A 106 41.413 44.886 21.523 1.00 8.34 H new ATOM 0 HD2 PHE A 106 42.717 42.419 24.424 1.00 9.40 H new ATOM 0 HE1 PHE A 106 43.553 44.875 20.564 1.00 9.89 H new ATOM 0 HE2 PHE A 106 44.864 42.439 23.459 1.00 11.17 H new ATOM 0 HZ PHE A 106 45.240 43.653 21.549 1.00 10.68 H new ATOM 656 N PRO A 107 39.704 40.554 24.674 1.00 7.60 N ATOM 657 CA PRO A 107 40.229 39.215 25.032 1.00 7.86 C ATOM 658 C PRO A 107 39.852 38.124 24.042 1.00 7.47 C ATOM 659 O PRO A 107 40.560 37.092 23.938 1.00 8.50 O ATOM 660 CB PRO A 107 39.610 38.959 26.431 1.00 8.89 C ATOM 661 CG PRO A 107 39.429 40.341 26.988 1.00 9.07 C ATOM 662 CD PRO A 107 38.936 41.178 25.785 1.00 9.13 C ATOM 0 HA PRO A 107 41.199 39.195 25.023 1.00 7.86 H new ATOM 0 HB2 PRO A 107 38.766 38.485 26.368 1.00 8.89 H new ATOM 0 HB3 PRO A 107 40.195 38.422 26.988 1.00 8.89 H new ATOM 0 HG2 PRO A 107 38.784 40.349 27.712 1.00 9.07 H new ATOM 0 HG3 PRO A 107 40.261 40.690 27.345 1.00 9.07 H new ATOM 0 HD2 PRO A 107 37.977 41.105 25.655 1.00 9.13 H new ATOM 0 HD3 PRO A 107 39.138 42.121 25.887 1.00 9.13 H new ATOM 663 N SER A 108 38.756 38.331 23.295 1.00 6.38 N ATOM 664 CA SER A 108 38.344 37.268 22.376 1.00 7.31 C ATOM 665 C SER A 108 39.256 37.143 21.156 1.00 7.04 C ATOM 666 O SER A 108 39.153 36.167 20.399 1.00 6.79 O ATOM 667 CB SER A 108 36.880 37.504 21.910 1.00 7.72 C ATOM 668 OG SER A 108 36.799 38.618 21.014 1.00 8.18 O ATOM 0 H SER A 108 38.265 39.037 23.304 1.00 6.38 H new ATOM 0 HA SER A 108 38.411 36.435 22.868 1.00 7.31 H new ATOM 0 HB2 SER A 108 36.544 36.707 21.471 1.00 7.72 H new ATOM 0 HB3 SER A 108 36.313 37.663 22.681 1.00 7.72 H new ATOM 0 HG SER A 108 37.021 39.320 21.419 1.00 8.18 H new ATOM 669 N ILE A 109 40.172 38.104 20.949 1.00 6.28 N ATOM 670 CA ILE A 109 41.115 37.994 19.810 1.00 6.59 C ATOM 671 C ILE A 109 42.027 36.779 20.072 1.00 5.79 C ATOM 672 O ILE A 109 42.062 35.833 19.265 1.00 7.49 O ATOM 673 CB ILE A 109 41.922 39.297 19.607 1.00 7.43 C ATOM 674 CG1 ILE A 109 40.963 40.403 19.166 1.00 6.93 C ATOM 675 CG2 ILE A 109 43.135 39.069 18.638 1.00 8.04 C ATOM 676 CD1 ILE A 109 41.633 41.801 19.213 1.00 8.35 C ATOM 0 H ILE A 109 40.266 38.806 21.436 1.00 6.28 H new ATOM 0 HA ILE A 109 40.625 37.862 18.983 1.00 6.59 H new ATOM 0 HB ILE A 109 42.327 39.582 20.441 1.00 7.43 H new ATOM 0 HG12 ILE A 109 40.654 40.223 18.264 1.00 6.93 H new ATOM 0 HG13 ILE A 109 40.181 40.400 19.739 1.00 6.93 H new ATOM 0 HG21 ILE A 109 43.623 39.900 18.529 1.00 8.04 H new ATOM 0 HG22 ILE A 109 43.725 38.395 19.011 1.00 8.04 H new ATOM 0 HG23 ILE A 109 42.808 38.770 17.775 1.00 8.04 H new ATOM 0 HD11 ILE A 109 40.996 42.475 18.927 1.00 8.35 H new ATOM 0 HD12 ILE A 109 41.921 41.992 20.119 1.00 8.35 H new ATOM 0 HD13 ILE A 109 42.402 41.812 18.621 1.00 8.35 H new ATOM 677 N ASP A 110 42.772 36.793 21.202 1.00 5.85 N ATOM 678 CA ASP A 110 43.691 35.682 21.455 1.00 6.74 C ATOM 679 C ASP A 110 42.918 34.372 21.618 1.00 6.65 C ATOM 680 O ASP A 110 43.407 33.294 21.205 1.00 7.22 O ATOM 681 CB ASP A 110 44.503 36.010 22.725 1.00 6.34 C ATOM 682 CG ASP A 110 45.719 35.103 22.895 1.00 6.24 C ATOM 683 OD1 ASP A 110 46.681 35.198 22.068 1.00 7.56 O ATOM 684 OD2 ASP A 110 45.740 34.285 23.877 1.00 7.49 O ATOM 0 H ASP A 110 42.756 37.409 21.802 1.00 5.85 H new ATOM 0 HA ASP A 110 44.293 35.568 20.703 1.00 6.74 H new ATOM 0 HB2 ASP A 110 44.796 36.934 22.688 1.00 6.34 H new ATOM 0 HB3 ASP A 110 43.929 35.925 23.503 1.00 6.34 H new ATOM 685 N GLU A 111 41.714 34.439 22.243 1.00 5.93 N ATOM 686 CA GLU A 111 40.918 33.201 22.514 1.00 6.78 C ATOM 687 C GLU A 111 40.464 32.548 21.200 1.00 6.88 C ATOM 688 O GLU A 111 40.568 31.323 21.045 1.00 7.50 O ATOM 689 CB GLU A 111 39.675 33.538 23.304 1.00 6.98 C ATOM 690 CG GLU A 111 40.054 33.967 24.735 1.00 9.34 C ATOM 691 CD GLU A 111 38.866 34.471 25.543 1.00 15.46 C ATOM 692 OE1 GLU A 111 37.782 34.703 24.989 1.00 13.78 O ATOM 693 OE2 GLU A 111 39.010 34.663 26.793 1.00 18.90 O ATOM 0 H GLU A 111 41.347 35.169 22.512 1.00 5.93 H new ATOM 0 HA GLU A 111 41.487 32.594 23.013 1.00 6.78 H new ATOM 0 HB2 GLU A 111 39.187 34.252 22.864 1.00 6.98 H new ATOM 0 HB3 GLU A 111 39.085 32.769 23.335 1.00 6.98 H new ATOM 0 HG2 GLU A 111 40.456 33.214 25.196 1.00 9.34 H new ATOM 0 HG3 GLU A 111 40.727 34.664 24.690 1.00 9.34 H new ATOM 694 N GLN A 112 39.956 33.367 20.271 1.00 6.11 N ATOM 695 CA GLN A 112 39.462 32.765 18.990 1.00 7.50 C ATOM 696 C GLN A 112 40.635 32.247 18.172 1.00 7.03 C ATOM 697 O GLN A 112 40.574 31.135 17.615 1.00 7.63 O ATOM 698 CB GLN A 112 38.664 33.795 18.177 1.00 6.93 C ATOM 699 CG GLN A 112 37.288 34.065 18.815 1.00 6.29 C ATOM 700 CD GLN A 112 36.570 35.253 18.201 1.00 8.95 C ATOM 701 OE1 GLN A 112 35.442 35.099 17.702 1.00 8.37 O ATOM 702 NE2 GLN A 112 37.167 36.445 18.304 1.00 8.47 N ATOM 0 H GLN A 112 39.884 34.221 20.339 1.00 6.11 H new ATOM 0 HA GLN A 112 38.874 32.024 19.205 1.00 7.50 H new ATOM 0 HB2 GLN A 112 39.165 34.624 18.120 1.00 6.93 H new ATOM 0 HB3 GLN A 112 38.545 33.473 17.270 1.00 6.93 H new ATOM 0 HG2 GLN A 112 36.733 33.275 18.721 1.00 6.29 H new ATOM 0 HG3 GLN A 112 37.403 34.219 19.766 1.00 6.29 H new ATOM 0 HE21 GLN A 112 37.949 36.505 18.657 1.00 8.47 H new ATOM 0 HE22 GLN A 112 36.769 37.151 18.018 1.00 8.47 H new ATOM 703 N ALA A 113 41.733 33.009 18.102 1.00 7.04 N ATOM 704 CA ALA A 113 42.919 32.553 17.366 1.00 6.30 C ATOM 705 C ALA A 113 43.397 31.225 17.954 1.00 6.48 C ATOM 706 O ALA A 113 43.714 30.297 17.198 1.00 7.93 O ATOM 707 CB ALA A 113 44.042 33.617 17.512 1.00 7.58 C ATOM 0 H ALA A 113 41.811 33.783 18.469 1.00 7.04 H new ATOM 0 HA ALA A 113 42.701 32.432 16.429 1.00 6.30 H new ATOM 0 HB1 ALA A 113 44.830 33.324 17.029 1.00 7.58 H new ATOM 0 HB2 ALA A 113 43.736 34.463 17.149 1.00 7.58 H new ATOM 0 HB3 ALA A 113 44.262 33.729 18.450 1.00 7.58 H new ATOM 708 N GLU A 114 43.478 31.120 19.296 1.00 6.04 N ATOM 709 CA GLU A 114 44.012 29.892 19.861 1.00 6.95 C ATOM 710 C GLU A 114 43.037 28.711 19.812 1.00 6.53 C ATOM 711 O GLU A 114 43.489 27.555 19.878 1.00 7.27 O ATOM 712 CB GLU A 114 44.550 30.192 21.292 1.00 7.33 C ATOM 713 CG GLU A 114 45.825 31.042 21.141 1.00 6.62 C ATOM 714 CD GLU A 114 46.453 31.503 22.440 1.00 9.07 C ATOM 715 OE1 GLU A 114 45.945 31.122 23.524 1.00 9.51 O ATOM 716 OE2 GLU A 114 47.482 32.233 22.341 1.00 8.27 O ATOM 0 H GLU A 114 43.239 31.722 19.861 1.00 6.04 H new ATOM 0 HA GLU A 114 44.748 29.594 19.304 1.00 6.95 H new ATOM 0 HB2 GLU A 114 43.884 30.666 21.814 1.00 7.33 H new ATOM 0 HB3 GLU A 114 44.744 29.367 21.763 1.00 7.33 H new ATOM 0 HG2 GLU A 114 46.482 30.528 20.646 1.00 6.62 H new ATOM 0 HG3 GLU A 114 45.614 31.823 20.606 1.00 6.62 H new ATOM 717 N ARG A 115 41.718 28.957 19.780 1.00 6.63 N ATOM 718 CA ARG A 115 40.791 27.846 19.568 1.00 7.36 C ATOM 719 C ARG A 115 41.054 27.253 18.173 1.00 7.38 C ATOM 720 O ARG A 115 41.089 26.021 18.024 1.00 8.73 O ATOM 721 CB ARG A 115 39.360 28.346 19.702 1.00 8.00 C ATOM 722 CG ARG A 115 38.321 27.219 19.504 1.00 7.44 C ATOM 723 CD ARG A 115 38.503 26.118 20.590 1.00 7.51 C ATOM 724 NE ARG A 115 37.510 25.053 20.352 1.00 6.89 N ATOM 725 CZ ARG A 115 37.666 23.814 20.823 1.00 9.15 C ATOM 726 NH1 ARG A 115 38.695 23.506 21.655 1.00 8.73 N ATOM 727 NH2 ARG A 115 36.752 22.886 20.477 1.00 9.44 N ATOM 0 H ARG A 115 41.355 29.731 19.875 1.00 6.63 H new ATOM 0 HA ARG A 115 40.925 27.152 20.233 1.00 7.36 H new ATOM 0 HB2 ARG A 115 39.240 28.743 20.579 1.00 8.00 H new ATOM 0 HB3 ARG A 115 39.202 29.046 19.049 1.00 8.00 H new ATOM 0 HG2 ARG A 115 37.424 27.585 19.553 1.00 7.44 H new ATOM 0 HG3 ARG A 115 38.421 26.830 18.621 1.00 7.44 H new ATOM 0 HD2 ARG A 115 39.402 25.755 20.554 1.00 7.51 H new ATOM 0 HD3 ARG A 115 38.386 26.496 21.476 1.00 7.51 H new ATOM 0 HE ARG A 115 36.806 25.237 19.894 1.00 6.89 H new ATOM 0 HH11 ARG A 115 39.258 24.114 21.886 1.00 8.73 H new ATOM 0 HH12 ARG A 115 38.783 22.703 21.951 1.00 8.73 H new ATOM 0 HH21 ARG A 115 36.093 23.100 19.967 1.00 9.44 H new ATOM 0 HH22 ARG A 115 36.827 22.079 20.766 1.00 9.44 H new ATOM 728 N LEU A 116 41.265 28.129 17.199 1.00 7.07 N ATOM 729 CA LEU A 116 41.599 27.649 15.857 1.00 7.52 C ATOM 730 C LEU A 116 42.925 26.848 15.880 1.00 8.09 C ATOM 731 O LEU A 116 42.972 25.730 15.307 1.00 8.57 O ATOM 732 CB LEU A 116 41.662 28.840 14.907 1.00 8.21 C ATOM 733 CG LEU A 116 42.086 28.476 13.472 1.00 8.45 C ATOM 734 CD1 LEU A 116 41.128 27.397 12.836 1.00 9.76 C ATOM 735 CD2 LEU A 116 42.045 29.752 12.666 1.00 10.32 C ATOM 0 H LEU A 116 41.222 28.984 17.286 1.00 7.07 H new ATOM 0 HA LEU A 116 40.912 27.041 15.540 1.00 7.52 H new ATOM 0 HB2 LEU A 116 40.791 29.266 14.879 1.00 8.21 H new ATOM 0 HB3 LEU A 116 42.285 29.493 15.263 1.00 8.21 H new ATOM 0 HG LEU A 116 42.975 28.088 13.477 1.00 8.45 H new ATOM 0 HD11 LEU A 116 41.424 27.192 11.935 1.00 9.76 H new ATOM 0 HD12 LEU A 116 41.147 26.590 13.374 1.00 9.76 H new ATOM 0 HD13 LEU A 116 40.223 27.744 12.807 1.00 9.76 H new ATOM 0 HD21 LEU A 116 42.307 29.565 11.751 1.00 10.32 H new ATOM 0 HD22 LEU A 116 41.145 30.113 12.677 1.00 10.32 H new ATOM 0 HD23 LEU A 116 42.657 30.398 13.052 1.00 10.32 H new ATOM 736 N VAL A 117 43.981 27.340 16.559 1.00 7.05 N ATOM 737 CA VAL A 117 45.239 26.601 16.631 1.00 7.71 C ATOM 738 C VAL A 117 45.024 25.253 17.321 1.00 8.61 C ATOM 739 O VAL A 117 45.522 24.205 16.850 1.00 9.06 O ATOM 740 CB VAL A 117 46.312 27.402 17.417 1.00 7.14 C ATOM 741 CG1 VAL A 117 47.590 26.525 17.585 1.00 8.03 C ATOM 742 CG2 VAL A 117 46.656 28.767 16.702 1.00 8.18 C ATOM 0 H VAL A 117 43.981 28.092 16.977 1.00 7.05 H new ATOM 0 HA VAL A 117 45.550 26.461 15.723 1.00 7.71 H new ATOM 0 HB VAL A 117 45.956 27.622 18.292 1.00 7.14 H new ATOM 0 HG11 VAL A 117 48.262 27.023 18.076 1.00 8.03 H new ATOM 0 HG12 VAL A 117 47.366 25.717 18.073 1.00 8.03 H new ATOM 0 HG13 VAL A 117 47.938 26.288 16.711 1.00 8.03 H new ATOM 0 HG21 VAL A 117 47.327 29.242 17.217 1.00 8.18 H new ATOM 0 HG22 VAL A 117 46.998 28.589 15.812 1.00 8.18 H new ATOM 0 HG23 VAL A 117 45.855 29.310 16.638 1.00 8.18 H new ATOM 743 N ALA A 118 44.220 25.222 18.411 1.00 7.55 N ATOM 744 CA ALA A 118 44.011 23.978 19.146 1.00 8.32 C ATOM 745 C ALA A 118 43.318 22.893 18.327 1.00 9.13 C ATOM 746 O ALA A 118 43.455 21.688 18.649 1.00 9.08 O ATOM 747 CB ALA A 118 43.201 24.248 20.433 1.00 11.01 C ATOM 0 H ALA A 118 43.800 25.903 18.726 1.00 7.55 H new ATOM 0 HA ALA A 118 44.895 23.644 19.365 1.00 8.32 H new ATOM 0 HB1 ALA A 118 43.068 23.415 20.913 1.00 11.01 H new ATOM 0 HB2 ALA A 118 43.686 24.871 20.996 1.00 11.01 H new ATOM 0 HB3 ALA A 118 42.339 24.627 20.200 1.00 11.01 H new ATOM 748 N LEU A 119 42.607 23.318 17.270 1.00 8.41 N ATOM 749 CA LEU A 119 41.889 22.373 16.375 1.00 9.17 C ATOM 750 C LEU A 119 42.692 22.104 15.101 1.00 10.31 C ATOM 751 O LEU A 119 42.151 21.465 14.173 1.00 10.24 O ATOM 752 CB LEU A 119 40.522 22.976 15.999 1.00 10.22 C ATOM 753 CG LEU A 119 39.539 23.058 17.202 1.00 9.41 C ATOM 754 CD1 LEU A 119 38.238 23.764 16.778 1.00 11.07 C ATOM 755 CD2 LEU A 119 39.269 21.604 17.805 1.00 12.08 C ATOM 0 H LEU A 119 42.525 24.145 17.050 1.00 8.41 H new ATOM 0 HA LEU A 119 41.770 21.532 16.844 1.00 9.17 H new ATOM 0 HB2 LEU A 119 40.656 23.866 15.637 1.00 10.22 H new ATOM 0 HB3 LEU A 119 40.121 22.441 15.296 1.00 10.22 H new ATOM 0 HG LEU A 119 39.941 23.589 17.908 1.00 9.41 H new ATOM 0 HD11 LEU A 119 37.633 23.810 17.535 1.00 11.07 H new ATOM 0 HD12 LEU A 119 38.442 24.662 16.473 1.00 11.07 H new ATOM 0 HD13 LEU A 119 37.819 23.266 16.059 1.00 11.07 H new ATOM 0 HD21 LEU A 119 38.655 21.673 18.553 1.00 12.08 H new ATOM 0 HD22 LEU A 119 38.882 21.036 17.120 1.00 12.08 H new ATOM 0 HD23 LEU A 119 40.106 21.219 18.108 1.00 12.08 H new ATOM 756 N GLY A 120 43.957 22.510 15.057 1.00 9.07 N ATOM 757 CA GLY A 120 44.817 22.205 13.878 1.00 9.83 C ATOM 758 C GLY A 120 44.784 23.239 12.780 1.00 10.73 C ATOM 759 O GLY A 120 45.130 22.934 11.614 1.00 10.16 O ATOM 0 H GLY A 120 44.345 22.957 15.681 1.00 9.07 H new ATOM 0 HA2 GLY A 120 45.733 22.103 14.181 1.00 9.83 H new ATOM 0 HA3 GLY A 120 44.544 21.351 13.508 1.00 9.83 H new ATOM 760 N GLY A 121 44.408 24.484 13.137 1.00 9.28 N ATOM 761 CA GLY A 121 44.415 25.614 12.205 1.00 9.84 C ATOM 762 C GLY A 121 45.579 26.569 12.439 1.00 10.13 C ATOM 763 O GLY A 121 46.359 26.414 13.386 1.00 10.90 O ATOM 0 H GLY A 121 44.143 24.689 13.929 1.00 9.28 H new ATOM 0 HA2 GLY A 121 44.457 25.277 11.296 1.00 9.84 H new ATOM 0 HA3 GLY A 121 43.581 26.102 12.289 1.00 9.84 H new ATOM 764 N SER A 122 45.705 27.550 11.549 1.00 9.75 N ATOM 765 CA SER A 122 46.669 28.611 11.723 1.00 10.60 C ATOM 766 C SER A 122 45.946 29.925 11.476 1.00 10.37 C ATOM 767 O SER A 122 45.393 30.161 10.376 1.00 10.42 O ATOM 768 CB SER A 122 47.883 28.423 10.777 1.00 11.39 C ATOM 769 OG SER A 122 48.653 29.629 10.760 1.00 11.10 O ATOM 0 H SER A 122 45.233 27.613 10.833 1.00 9.75 H new ATOM 0 HA SER A 122 47.032 28.602 12.623 1.00 10.60 H new ATOM 0 HB2 SER A 122 48.430 27.681 11.078 1.00 11.39 H new ATOM 0 HB3 SER A 122 47.579 28.207 9.881 1.00 11.39 H new ATOM 0 HG SER A 122 49.313 29.533 10.250 1.00 11.10 H new ATOM 770 N PRO A 123 45.827 30.774 12.513 1.00 9.91 N ATOM 771 CA PRO A 123 45.048 31.990 12.364 1.00 10.52 C ATOM 772 C PRO A 123 45.742 33.067 11.553 1.00 11.85 C ATOM 773 O PRO A 123 46.959 33.286 11.675 1.00 11.93 O ATOM 774 CB PRO A 123 44.890 32.479 13.830 1.00 11.12 C ATOM 775 CG PRO A 123 46.144 31.956 14.501 1.00 11.34 C ATOM 776 CD PRO A 123 46.345 30.593 13.888 1.00 10.19 C ATOM 0 HA PRO A 123 44.220 31.816 11.890 1.00 10.52 H new ATOM 0 HB2 PRO A 123 44.832 33.446 13.882 1.00 11.12 H new ATOM 0 HB3 PRO A 123 44.087 32.124 14.243 1.00 11.12 H new ATOM 0 HG2 PRO A 123 46.904 32.536 14.335 1.00 11.34 H new ATOM 0 HG3 PRO A 123 46.035 31.900 15.463 1.00 11.34 H new ATOM 0 HD2 PRO A 123 47.279 30.332 13.890 1.00 10.19 H new ATOM 0 HD3 PRO A 123 45.857 29.906 14.369 1.00 10.19 H new ATOM 777 N LEU A 124 44.944 33.776 10.753 1.00 12.88 N ATOM 778 CA LEU A 124 45.508 34.845 9.942 1.00 14.46 C ATOM 779 CB LEU A 124 44.848 34.892 8.518 1.00 16.67 C ATOM 780 CG LEU A 124 45.029 33.582 7.661 1.00 19.92 C ATOM 781 CD1 LEU A 124 44.211 33.501 6.331 1.00 20.50 C ATOM 782 CD2 LEU A 124 46.524 33.242 7.336 1.00 23.52 C ATOM 783 C ALEU A 124 45.238 36.183 10.543 0.60 14.07 C ATOM 784 O ALEU A 124 44.101 36.444 10.989 0.60 14.62 O ATOM 785 C BLEU A 124 45.636 36.119 10.856 0.40 14.06 C ATOM 786 O BLEU A 124 45.132 36.168 12.016 0.40 13.99 O ATOM 0 H LEU A 124 44.097 33.656 10.669 1.00 12.88 H new ATOM 0 HA ALEU A 124 46.459 34.660 9.891 0.60 14.46 H new ATOM 0 HA BLEU A 124 46.424 34.712 9.650 0.40 14.46 H new ATOM 0 HB2 LEU A 124 43.900 35.067 8.621 1.00 16.67 H new ATOM 0 HB3 LEU A 124 45.223 35.639 8.026 1.00 16.67 H new ATOM 0 HG LEU A 124 44.658 32.921 8.266 1.00 19.92 H new ATOM 0 HD11 LEU A 124 44.397 32.659 5.887 1.00 20.50 H new ATOM 0 HD12 LEU A 124 43.263 33.559 6.530 1.00 20.50 H new ATOM 0 HD13 LEU A 124 44.464 34.235 5.750 1.00 20.50 H new ATOM 0 HD21 LEU A 124 46.564 32.429 6.809 1.00 23.52 H new ATOM 0 HD22 LEU A 124 46.920 33.972 6.834 1.00 23.52 H new ATOM 0 HD23 LEU A 124 47.014 33.115 8.163 1.00 23.52 H new ATOM 787 C ALA A 125 46.956 39.486 10.278 1.00 10.62 C ATOM 788 O ALA A 125 46.872 40.649 10.669 1.00 12.26 O ATOM 789 N AALA A 125 46.286 37.025 10.528 0.60 11.13 N ATOM 790 CA AALA A 125 46.233 38.387 11.074 0.60 11.30 C ATOM 791 CB AALA A 125 46.719 38.373 12.505 0.60 11.31 C ATOM 792 N BALA A 125 46.446 37.075 10.431 0.40 11.52 N ATOM 793 CA BALA A 125 46.604 38.317 11.190 0.40 11.13 C ATOM 794 CB BALA A 125 47.688 38.145 12.308 0.40 10.67 C ATOM 0 H AALA A 125 47.052 36.816 10.197 0.60 11.52 H new ATOM 0 H BALA A 125 46.913 37.031 9.710 0.40 11.52 H new ATOM 0 HA AALA A 125 45.298 38.638 11.009 0.60 11.13 H new ATOM 0 HA BALA A 125 45.753 38.516 11.611 0.40 11.13 H new ATOM 0 HB1AALA A 125 46.685 39.272 12.867 0.60 10.67 H new ATOM 0 HB1BALA A 125 47.780 38.976 12.800 0.40 10.67 H new ATOM 0 HB2AALA A 125 46.152 37.790 13.034 0.60 10.67 H new ATOM 0 HB2BALA A 125 47.418 37.438 12.915 0.40 10.67 H new ATOM 0 HB3AALA A 125 47.632 38.048 12.534 0.60 10.67 H new ATOM 0 HB3BALA A 125 48.538 37.915 11.902 0.40 10.67 H new ATOM 795 N ALA A 126 47.506 39.159 9.108 1.00 9.69 N ATOM 796 CA ALA A 126 48.090 40.231 8.269 1.00 9.65 C ATOM 797 C ALA A 126 46.985 41.121 7.741 1.00 9.50 C ATOM 798 O ALA A 126 45.871 40.641 7.455 1.00 9.75 O ATOM 799 CB ALA A 126 48.852 39.578 7.105 1.00 10.25 C ATOM 0 H ALA A 126 47.555 38.363 8.786 1.00 9.69 H new ATOM 0 HA ALA A 126 48.699 40.775 8.792 1.00 9.65 H new ATOM 0 HB1 ALA A 126 49.241 40.268 6.545 1.00 10.25 H new ATOM 0 HB2 ALA A 126 49.557 39.012 7.457 1.00 10.25 H new ATOM 0 HB3 ALA A 126 48.240 39.041 6.578 1.00 10.25 H new ATOM 800 N PRO A 127 47.291 42.412 7.549 1.00 10.07 N ATOM 801 CA PRO A 127 46.324 43.342 6.957 1.00 10.19 C ATOM 802 C PRO A 127 45.538 42.788 5.741 1.00 9.15 C ATOM 803 O PRO A 127 44.286 42.909 5.733 1.00 9.43 O ATOM 804 CB PRO A 127 47.187 44.546 6.570 1.00 11.45 C ATOM 805 CG PRO A 127 48.241 44.576 7.719 1.00 11.67 C ATOM 806 CD PRO A 127 48.557 43.081 7.942 1.00 11.40 C ATOM 0 HA PRO A 127 45.614 43.546 7.585 1.00 10.19 H new ATOM 0 HB2 PRO A 127 47.601 44.431 5.701 1.00 11.45 H new ATOM 0 HB3 PRO A 127 46.670 45.366 6.531 1.00 11.45 H new ATOM 0 HG2 PRO A 127 49.033 45.076 7.467 1.00 11.67 H new ATOM 0 HG3 PRO A 127 47.886 44.991 8.521 1.00 11.67 H new ATOM 0 HD2 PRO A 127 49.304 42.786 7.397 1.00 11.40 H new ATOM 0 HD3 PRO A 127 48.789 42.897 8.865 1.00 11.40 H new ATOM 807 N ALA A 128 46.222 42.140 4.781 1.00 10.35 N ATOM 808 CA ALA A 128 45.484 41.661 3.597 1.00 9.90 C ATOM 809 C ALA A 128 44.455 40.600 3.989 1.00 9.87 C ATOM 810 O ALA A 128 43.321 40.512 3.435 1.00 10.85 O ATOM 811 CB ALA A 128 46.462 41.078 2.569 1.00 12.27 C ATOM 0 H ALA A 128 47.066 41.975 4.791 1.00 10.35 H new ATOM 0 HA ALA A 128 45.016 42.415 3.206 1.00 9.90 H new ATOM 0 HB1 ALA A 128 45.969 40.766 1.794 1.00 12.27 H new ATOM 0 HB2 ALA A 128 47.092 41.763 2.296 1.00 12.27 H new ATOM 0 HB3 ALA A 128 46.944 40.336 2.966 1.00 12.27 H new ATOM 812 N ASP A 129 44.802 39.795 5.004 1.00 8.81 N ATOM 813 CA ASP A 129 43.905 38.717 5.437 1.00 9.64 C ATOM 814 C ASP A 129 42.742 39.269 6.264 1.00 9.10 C ATOM 815 O ASP A 129 41.600 38.805 6.119 1.00 9.92 O ATOM 816 CB ASP A 129 44.659 37.628 6.231 1.00 9.82 C ATOM 817 CG ASP A 129 45.752 36.936 5.409 1.00 15.38 C ATOM 818 OD1 ASP A 129 45.547 36.742 4.168 1.00 17.87 O ATOM 819 OD2 ASP A 129 46.815 36.595 5.981 1.00 15.74 O ATOM 0 H ASP A 129 45.537 39.855 5.446 1.00 8.81 H new ATOM 0 HA ASP A 129 43.547 38.305 4.635 1.00 9.64 H new ATOM 0 HB2 ASP A 129 45.058 38.028 7.019 1.00 9.82 H new ATOM 0 HB3 ASP A 129 44.024 36.963 6.541 1.00 9.82 H new ATOM 820 N LEU A 130 43.006 40.285 7.116 1.00 8.43 N ATOM 821 CA LEU A 130 41.918 40.986 7.829 1.00 9.52 C ATOM 822 C LEU A 130 40.891 41.525 6.834 1.00 10.67 C ATOM 823 O LEU A 130 39.682 41.335 6.991 1.00 10.14 O ATOM 824 CB LEU A 130 42.488 42.130 8.710 1.00 8.96 C ATOM 825 CG LEU A 130 43.507 41.720 9.770 1.00 11.19 C ATOM 826 CD1 LEU A 130 44.034 43.015 10.466 1.00 11.07 C ATOM 827 CD2 LEU A 130 42.814 40.799 10.812 1.00 10.07 C ATOM 0 H LEU A 130 43.796 40.577 7.291 1.00 8.43 H new ATOM 0 HA LEU A 130 41.473 40.352 8.413 1.00 9.52 H new ATOM 0 HB2 LEU A 130 42.901 42.786 8.128 1.00 8.96 H new ATOM 0 HB3 LEU A 130 41.747 42.571 9.154 1.00 8.96 H new ATOM 0 HG LEU A 130 44.247 41.239 9.368 1.00 11.19 H new ATOM 0 HD11 LEU A 130 44.684 42.776 11.145 1.00 11.07 H new ATOM 0 HD12 LEU A 130 44.452 43.590 9.806 1.00 11.07 H new ATOM 0 HD13 LEU A 130 43.293 43.485 10.880 1.00 11.07 H new ATOM 0 HD21 LEU A 130 43.457 40.535 11.489 1.00 10.07 H new ATOM 0 HD22 LEU A 130 42.082 41.278 11.231 1.00 10.07 H new ATOM 0 HD23 LEU A 130 42.470 40.009 10.367 1.00 10.07 H new ATOM 828 N ALA A 131 41.384 42.204 5.801 1.00 10.48 N ATOM 829 CA ALA A 131 40.483 42.811 4.804 1.00 11.43 C ATOM 830 C ALA A 131 39.659 41.744 4.071 1.00 10.73 C ATOM 831 O ALA A 131 38.454 41.983 3.785 1.00 13.52 O ATOM 832 CB ALA A 131 41.303 43.613 3.787 1.00 11.81 C ATOM 0 H ALA A 131 42.222 42.327 5.654 1.00 10.48 H new ATOM 0 HA ALA A 131 39.870 43.399 5.272 1.00 11.43 H new ATOM 0 HB1 ALA A 131 40.708 44.011 3.133 1.00 11.81 H new ATOM 0 HB2 ALA A 131 41.793 44.313 4.246 1.00 11.81 H new ATOM 0 HB3 ALA A 131 41.928 43.023 3.338 1.00 11.81 H new ATOM 833 N ARG A 132 40.291 40.615 3.748 1.00 10.33 N ATOM 834 CA ARG A 132 39.582 39.571 2.994 1.00 10.72 C ATOM 835 C ARG A 132 38.465 38.898 3.820 1.00 11.77 C ATOM 836 O ARG A 132 37.359 38.615 3.302 1.00 13.56 O ATOM 837 CB ARG A 132 40.590 38.539 2.444 1.00 11.61 C ATOM 838 CG ARG A 132 39.845 37.345 1.747 1.00 13.71 C ATOM 839 CD ARG A 132 40.784 36.470 0.975 1.00 22.43 C ATOM 840 NE ARG A 132 39.933 35.569 0.188 1.00 27.92 N ATOM 841 CZ ARG A 132 40.355 34.608 -0.625 1.00 29.24 C ATOM 842 NH1 ARG A 132 41.652 34.403 -0.812 1.00 27.99 N ATOM 843 NH2 ARG A 132 39.443 33.864 -1.269 1.00 27.71 N ATOM 0 H ARG A 132 41.108 40.434 3.948 1.00 10.33 H new ATOM 0 HA ARG A 132 39.137 39.998 2.245 1.00 10.72 H new ATOM 0 HB2 ARG A 132 41.185 38.969 1.810 1.00 11.61 H new ATOM 0 HB3 ARG A 132 41.142 38.203 3.167 1.00 11.61 H new ATOM 0 HG2 ARG A 132 39.388 36.814 2.418 1.00 13.71 H new ATOM 0 HG3 ARG A 132 39.165 37.694 1.150 1.00 13.71 H new ATOM 0 HD2 ARG A 132 41.358 36.998 0.399 1.00 22.43 H new ATOM 0 HD3 ARG A 132 41.363 35.970 1.571 1.00 22.43 H new ATOM 0 HE ARG A 132 39.082 35.673 0.260 1.00 27.92 H new ATOM 0 HH11 ARG A 132 42.228 34.895 -0.405 1.00 27.99 H new ATOM 0 HH12 ARG A 132 41.917 33.778 -1.340 1.00 27.99 H new ATOM 0 HH21 ARG A 132 38.604 34.014 -1.151 1.00 27.71 H new ATOM 0 HH22 ARG A 132 39.697 33.237 -1.800 1.00 27.71 H new ATOM 844 N TYR A 133 38.767 38.556 5.083 1.00 10.41 N ATOM 845 CA TYR A 133 37.857 37.689 5.837 1.00 10.07 C ATOM 846 C TYR A 133 36.943 38.380 6.843 1.00 9.96 C ATOM 847 O TYR A 133 35.988 37.746 7.316 1.00 10.36 O ATOM 848 CB TYR A 133 38.672 36.580 6.557 1.00 10.95 C ATOM 849 CG TYR A 133 39.325 35.649 5.547 1.00 10.53 C ATOM 850 CD1 TYR A 133 38.520 34.840 4.753 1.00 14.34 C ATOM 851 CD2 TYR A 133 40.697 35.655 5.319 1.00 11.71 C ATOM 852 CE1 TYR A 133 39.088 33.984 3.761 1.00 14.53 C ATOM 853 CE2 TYR A 133 41.288 34.789 4.341 1.00 12.55 C ATOM 854 CZ TYR A 133 40.463 33.989 3.567 1.00 15.43 C ATOM 855 OH TYR A 133 41.062 33.188 2.588 1.00 16.72 O ATOM 0 H TYR A 133 39.472 38.808 5.507 1.00 10.41 H new ATOM 0 HA TYR A 133 37.257 37.325 5.168 1.00 10.07 H new ATOM 0 HB2 TYR A 133 39.352 36.985 7.117 1.00 10.95 H new ATOM 0 HB3 TYR A 133 38.088 36.072 7.142 1.00 10.95 H new ATOM 0 HD1 TYR A 133 37.597 34.857 4.870 1.00 14.34 H new ATOM 0 HD2 TYR A 133 41.240 36.230 5.809 1.00 11.71 H new ATOM 0 HE1 TYR A 133 38.543 33.429 3.251 1.00 14.53 H new ATOM 0 HE2 TYR A 133 42.211 34.765 4.228 1.00 12.55 H new ATOM 0 HH TYR A 133 41.893 33.307 2.599 1.00 16.72 H new ATOM 856 N SER A 134 37.223 39.635 7.182 1.00 9.72 N ATOM 857 CA SER A 134 36.375 40.353 8.136 1.00 10.12 C ATOM 858 C SER A 134 35.004 40.688 7.558 1.00 10.83 C ATOM 859 O SER A 134 34.905 41.065 6.367 1.00 11.73 O ATOM 860 CB SER A 134 37.057 41.673 8.517 1.00 9.55 C ATOM 861 OG SER A 134 36.247 42.394 9.437 1.00 9.57 O ATOM 0 H SER A 134 37.889 40.086 6.877 1.00 9.72 H new ATOM 0 HA SER A 134 36.252 39.773 8.904 1.00 10.12 H new ATOM 0 HB2 SER A 134 37.925 41.495 8.911 1.00 9.55 H new ATOM 0 HB3 SER A 134 37.210 42.207 7.722 1.00 9.55 H new ATOM 0 HG SER A 134 36.206 43.200 9.203 1.00 9.57 H new ATOM 862 N THR A 135 33.967 40.607 8.392 1.00 10.10 N ATOM 863 CA THR A 135 32.655 41.105 7.945 1.00 11.31 C ATOM 864 C THR A 135 32.485 42.605 8.241 1.00 10.78 C ATOM 865 O THR A 135 31.456 43.198 7.845 1.00 11.53 O ATOM 866 CB ATHR A 135 31.552 40.287 8.513 0.50 12.10 C ATOM 867 OG1ATHR A 135 31.629 40.390 9.900 0.50 7.97 O ATOM 868 CG2ATHR A 135 31.681 38.807 8.140 0.50 9.97 C ATOM 869 CB BTHR A 135 31.422 40.282 8.549 0.50 13.14 C ATOM 870 OG1BTHR A 135 30.646 41.032 9.494 0.50 17.12 O ATOM 871 CG2BTHR A 135 31.791 38.990 9.164 0.50 8.05 C ATOM 0 H THR A 135 33.992 40.283 9.188 1.00 10.10 H new ATOM 0 HA THR A 135 32.613 41.010 6.981 1.00 11.31 H new ATOM 0 HB ATHR A 135 30.710 40.614 8.160 0.50 13.14 H new ATOM 0 HB BTHR A 135 30.883 40.099 7.764 0.50 13.14 H new ATOM 0 HG1ATHR A 135 31.282 39.710 10.251 0.50 17.12 H new ATOM 0 HG1BTHR A 135 30.101 40.521 9.878 0.50 17.12 H new ATOM 0 HG21ATHR A 135 30.945 38.310 8.529 0.50 8.05 H new ATOM 0 HG21BTHR A 135 30.994 38.554 9.505 0.50 8.05 H new ATOM 0 HG22ATHR A 135 31.660 38.713 7.175 0.50 8.05 H new ATOM 0 HG22BTHR A 135 32.210 38.422 8.498 0.50 8.05 H new ATOM 0 HG23ATHR A 135 32.520 38.459 8.480 0.50 8.05 H new ATOM 0 HG23BTHR A 135 32.412 39.144 9.893 0.50 8.05 H new ATOM 872 N VAL A 136 33.510 43.215 8.869 1.00 9.32 N ATOM 873 CA VAL A 136 33.529 44.661 9.216 1.00 9.52 C ATOM 874 C VAL A 136 34.684 45.367 8.512 1.00 9.12 C ATOM 875 O VAL A 136 35.835 44.894 8.569 1.00 10.60 O ATOM 876 CB VAL A 136 33.698 44.786 10.773 1.00 8.94 C ATOM 877 CG1 VAL A 136 33.979 46.238 11.224 1.00 11.69 C ATOM 878 CG2 VAL A 136 32.395 44.234 11.422 1.00 10.63 C ATOM 0 H VAL A 136 34.223 42.798 9.109 1.00 9.32 H new ATOM 0 HA VAL A 136 32.702 45.079 8.928 1.00 9.52 H new ATOM 0 HB VAL A 136 34.471 44.274 11.059 1.00 8.94 H new ATOM 0 HG11 VAL A 136 34.075 46.264 12.189 1.00 11.69 H new ATOM 0 HG12 VAL A 136 34.797 46.553 10.809 1.00 11.69 H new ATOM 0 HG13 VAL A 136 33.241 46.808 10.957 1.00 11.69 H new ATOM 0 HG21 VAL A 136 32.463 44.295 12.388 1.00 10.63 H new ATOM 0 HG22 VAL A 136 31.636 44.756 11.118 1.00 10.63 H new ATOM 0 HG23 VAL A 136 32.273 43.307 11.165 1.00 10.63 H new ATOM 879 N GLN A 137 34.367 46.501 7.866 1.00 10.03 N ATOM 880 CA GLN A 137 35.381 47.291 7.169 1.00 11.91 C ATOM 881 C GLN A 137 35.827 48.438 8.031 1.00 11.13 C ATOM 882 O GLN A 137 34.994 49.127 8.618 1.00 11.14 O ATOM 883 CB AGLN A 137 34.781 47.933 5.892 0.60 12.45 C ATOM 884 CG AGLN A 137 34.300 46.991 4.837 0.60 17.22 C ATOM 885 CD AGLN A 137 33.774 47.753 3.624 0.60 18.26 C ATOM 886 OE1AGLN A 137 34.514 48.518 2.972 0.60 25.03 O ATOM 887 NE2AGLN A 137 32.482 47.583 3.340 0.60 23.01 N ATOM 888 CB BGLN A 137 34.919 47.715 5.759 0.40 12.20 C ATOM 889 CG BGLN A 137 34.521 46.499 4.911 0.40 15.23 C ATOM 890 CD BGLN A 137 35.646 45.866 4.103 0.40 18.64 C ATOM 891 OE1BGLN A 137 36.843 46.111 4.317 0.40 20.36 O ATOM 892 NE2BGLN A 137 35.254 45.016 3.155 0.40 22.57 N ATOM 0 H GLN A 137 33.571 46.824 7.823 1.00 10.03 H new ATOM 0 HA GLN A 137 36.115 46.694 6.957 1.00 11.91 H new ATOM 0 HB2AGLN A 137 34.038 48.498 6.156 0.60 12.20 H new ATOM 0 HB2BGLN A 137 34.165 48.321 5.832 0.40 12.20 H new ATOM 0 HB3AGLN A 137 35.452 48.512 5.499 0.60 12.20 H new ATOM 0 HB3BGLN A 137 35.632 48.201 5.316 0.40 12.20 H new ATOM 0 HG2AGLN A 137 35.024 46.406 4.566 0.60 15.23 H new ATOM 0 HG2BGLN A 137 34.146 45.824 5.498 0.40 15.23 H new ATOM 0 HG3AGLN A 137 33.599 46.426 5.198 0.60 15.23 H new ATOM 0 HG3BGLN A 137 33.817 46.767 4.300 0.40 15.23 H new ATOM 0 HE21AGLN A 137 32.005 47.046 3.813 0.60 22.57 H new ATOM 0 HE21BGLN A 137 34.416 44.867 3.031 0.40 22.57 H new ATOM 0 HE22AGLN A 137 32.126 48.010 2.684 0.60 22.57 H new ATOM 0 HE22BGLN A 137 35.839 44.616 2.667 0.40 22.57 H new ATOM 893 N VAL A 138 37.144 48.660 8.089 1.00 9.89 N ATOM 894 CA VAL A 138 37.683 49.761 8.891 1.00 10.53 C ATOM 895 C VAL A 138 37.752 51.014 7.986 1.00 11.38 C ATOM 896 O VAL A 138 38.252 50.933 6.849 1.00 11.37 O ATOM 897 CB VAL A 138 39.107 49.395 9.421 1.00 10.12 C ATOM 898 CG1 VAL A 138 39.616 50.548 10.301 1.00 10.81 C ATOM 899 CG2 VAL A 138 39.090 48.017 10.156 1.00 10.75 C ATOM 0 H VAL A 138 37.735 48.190 7.677 1.00 9.89 H new ATOM 0 HA VAL A 138 37.114 49.931 9.658 1.00 10.53 H new ATOM 0 HB VAL A 138 39.727 49.288 8.683 1.00 10.12 H new ATOM 0 HG11 VAL A 138 40.500 50.333 10.637 1.00 10.81 H new ATOM 0 HG12 VAL A 138 39.659 51.362 9.775 1.00 10.81 H new ATOM 0 HG13 VAL A 138 39.010 50.678 11.047 1.00 10.81 H new ATOM 0 HG21 VAL A 138 39.982 47.810 10.476 1.00 10.75 H new ATOM 0 HG22 VAL A 138 38.479 48.059 10.908 1.00 10.75 H new ATOM 0 HG23 VAL A 138 38.799 47.326 9.541 1.00 10.75 H new ATOM 900 N PRO A 139 37.312 52.187 8.474 1.00 13.12 N ATOM 901 CA PRO A 139 37.315 53.389 7.640 1.00 12.86 C ATOM 902 C PRO A 139 38.692 53.852 7.227 1.00 12.27 C ATOM 903 O PRO A 139 39.624 53.799 8.005 1.00 11.86 O ATOM 904 CB PRO A 139 36.687 54.466 8.528 1.00 14.14 C ATOM 905 CG PRO A 139 36.148 53.730 9.698 1.00 17.61 C ATOM 906 CD PRO A 139 36.799 52.413 9.840 1.00 13.95 C ATOM 0 HA PRO A 139 36.843 53.211 6.811 1.00 12.86 H new ATOM 0 HB2 PRO A 139 37.345 55.125 8.800 1.00 14.14 H new ATOM 0 HB3 PRO A 139 35.985 54.943 8.059 1.00 14.14 H new ATOM 0 HG2 PRO A 139 36.286 54.251 10.504 1.00 17.61 H new ATOM 0 HG3 PRO A 139 35.190 53.612 9.597 1.00 17.61 H new ATOM 0 HD2 PRO A 139 37.511 52.427 10.499 1.00 13.95 H new ATOM 0 HD3 PRO A 139 36.173 51.724 10.113 1.00 13.95 H new ATOM 907 N GLN A 140 38.818 54.303 5.969 1.00 12.72 N ATOM 908 CA GLN A 140 40.018 54.967 5.519 1.00 13.52 C ATOM 909 C GLN A 140 39.870 56.483 5.540 1.00 14.78 C ATOM 910 O GLN A 140 40.877 57.181 5.413 1.00 19.03 O ATOM 911 CB GLN A 140 40.404 54.495 4.095 1.00 14.37 C ATOM 912 CG GLN A 140 40.953 53.092 4.097 1.00 13.14 C ATOM 913 CD GLN A 140 41.433 52.650 2.696 1.00 16.66 C ATOM 914 OE1 GLN A 140 40.622 52.143 1.935 1.00 22.13 O ATOM 915 NE2 GLN A 140 42.728 52.807 2.396 1.00 18.09 N ATOM 0 H GLN A 140 38.208 54.227 5.368 1.00 12.72 H new ATOM 0 HA GLN A 140 40.726 54.727 6.137 1.00 13.52 H new ATOM 0 HB2 GLN A 140 39.625 54.536 3.519 1.00 14.37 H new ATOM 0 HB3 GLN A 140 41.065 55.100 3.722 1.00 14.37 H new ATOM 0 HG2 GLN A 140 41.692 53.037 4.723 1.00 13.14 H new ATOM 0 HG3 GLN A 140 40.269 52.480 4.411 1.00 13.14 H new ATOM 0 HE21 GLN A 140 43.260 53.170 2.966 1.00 18.09 H new ATOM 0 HE22 GLN A 140 43.028 52.545 1.634 1.00 18.09 H new ATOM 916 N GLU A 141 38.651 56.979 5.746 1.00 13.57 N ATOM 917 CA GLU A 141 38.399 58.419 5.837 1.00 14.33 C ATOM 918 C GLU A 141 38.223 58.878 7.271 1.00 11.70 C ATOM 919 O GLU A 141 37.968 58.053 8.160 1.00 12.08 O ATOM 920 CB GLU A 141 37.116 58.751 5.059 1.00 15.44 C ATOM 921 CG GLU A 141 37.297 58.599 3.497 1.00 23.47 C ATOM 922 CD GLU A 141 38.456 59.476 2.909 0.75 28.92 C ATOM 923 OE1 GLU A 141 38.509 60.733 3.119 0.75 33.99 O ATOM 924 OE2 GLU A 141 39.312 58.911 2.193 0.75 34.16 O ATOM 0 H GLU A 141 37.948 56.493 5.837 1.00 13.57 H new ATOM 0 HA GLU A 141 39.168 58.877 5.464 1.00 14.33 H new ATOM 0 HB2 GLU A 141 36.401 58.167 5.357 1.00 15.44 H new ATOM 0 HB3 GLU A 141 36.844 59.659 5.263 1.00 15.44 H new ATOM 0 HG2 GLU A 141 37.469 57.667 3.288 1.00 23.47 H new ATOM 0 HG3 GLU A 141 36.466 58.839 3.058 1.00 23.47 H new ATOM 925 N THR A 142 38.340 60.185 7.449 1.00 11.29 N ATOM 926 CA THR A 142 38.155 60.819 8.764 1.00 11.35 C ATOM 927 C THR A 142 36.660 61.147 8.922 1.00 12.23 C ATOM 928 O THR A 142 36.114 62.018 8.222 1.00 12.75 O ATOM 929 CB THR A 142 39.004 62.104 8.832 1.00 11.21 C ATOM 930 OG1 THR A 142 40.400 61.767 8.695 1.00 12.00 O ATOM 931 CG2 THR A 142 38.748 62.866 10.181 1.00 12.37 C ATOM 0 H THR A 142 38.529 60.737 6.817 1.00 11.29 H new ATOM 0 HA THR A 142 38.438 60.229 9.480 1.00 11.35 H new ATOM 0 HB THR A 142 38.747 62.692 8.104 1.00 11.21 H new ATOM 0 HG1 THR A 142 40.473 60.963 8.462 1.00 12.00 H new ATOM 0 HG21 THR A 142 39.290 63.670 10.206 1.00 12.37 H new ATOM 0 HG22 THR A 142 37.810 63.106 10.244 1.00 12.37 H new ATOM 0 HG23 THR A 142 38.986 62.293 10.927 1.00 12.37 H new ATOM 932 N VAL A 143 36.002 60.450 9.836 1.00 10.34 N ATOM 933 CA VAL A 143 34.555 60.614 10.074 1.00 9.64 C ATOM 934 C VAL A 143 34.357 61.382 11.383 1.00 10.86 C ATOM 935 O VAL A 143 34.557 60.813 12.456 1.00 10.95 O ATOM 936 CB VAL A 143 33.840 59.253 10.124 1.00 9.65 C ATOM 937 CG1 VAL A 143 32.293 59.456 10.374 1.00 11.82 C ATOM 938 CG2 VAL A 143 34.079 58.437 8.818 1.00 11.10 C ATOM 0 H VAL A 143 36.374 59.864 10.343 1.00 10.34 H new ATOM 0 HA VAL A 143 34.164 61.113 9.340 1.00 9.64 H new ATOM 0 HB VAL A 143 34.214 58.746 10.862 1.00 9.65 H new ATOM 0 HG11 VAL A 143 31.854 58.592 10.403 1.00 11.82 H new ATOM 0 HG12 VAL A 143 32.159 59.915 11.218 1.00 11.82 H new ATOM 0 HG13 VAL A 143 31.916 59.986 9.654 1.00 11.82 H new ATOM 0 HG21 VAL A 143 33.617 57.586 8.879 1.00 11.10 H new ATOM 0 HG22 VAL A 143 33.739 58.935 8.058 1.00 11.10 H new ATOM 0 HG23 VAL A 143 35.029 58.281 8.703 1.00 11.10 H new ATOM 939 N ARG A 144 34.051 62.688 11.301 1.00 10.00 N ATOM 940 CA ARG A 144 33.832 63.490 12.533 1.00 9.97 C ATOM 941 C ARG A 144 32.425 63.335 13.107 1.00 10.86 C ATOM 942 O ARG A 144 32.188 63.663 14.296 1.00 11.45 O ATOM 943 CB ARG A 144 34.013 64.991 12.231 1.00 9.98 C ATOM 944 CG ARG A 144 35.350 65.342 11.606 1.00 10.14 C ATOM 945 CD ARG A 144 36.509 64.883 12.527 1.00 10.07 C ATOM 946 NE ARG A 144 37.710 65.629 12.238 1.00 9.91 N ATOM 947 CZ ARG A 144 38.906 65.338 12.740 1.00 10.83 C ATOM 948 NH1 ARG A 144 39.051 64.302 13.579 1.00 10.66 N ATOM 949 NH2 ARG A 144 39.953 66.089 12.428 1.00 10.50 N ATOM 0 H ARG A 144 33.966 63.124 10.564 1.00 10.00 H new ATOM 0 HA ARG A 144 34.481 63.161 13.175 1.00 9.97 H new ATOM 0 HB2 ARG A 144 33.303 65.279 11.636 1.00 9.98 H new ATOM 0 HB3 ARG A 144 33.912 65.491 13.056 1.00 9.98 H new ATOM 0 HG2 ARG A 144 35.430 64.917 10.738 1.00 10.14 H new ATOM 0 HG3 ARG A 144 35.404 66.299 11.459 1.00 10.14 H new ATOM 0 HD2 ARG A 144 36.260 65.008 13.456 1.00 10.07 H new ATOM 0 HD3 ARG A 144 36.673 63.935 12.402 1.00 10.07 H new ATOM 0 HE ARG A 144 37.648 66.304 11.708 1.00 9.91 H new ATOM 0 HH11 ARG A 144 38.369 63.824 13.794 1.00 10.66 H new ATOM 0 HH12 ARG A 144 39.826 64.116 13.902 1.00 10.66 H new ATOM 0 HH21 ARG A 144 39.858 66.763 11.902 1.00 10.50 H new ATOM 0 HH22 ARG A 144 40.728 65.903 12.752 1.00 10.50 H new ATOM 950 N ASP A 145 31.485 62.943 12.259 1.00 10.51 N ATOM 951 CA ASP A 145 30.054 63.049 12.594 1.00 10.85 C ATOM 952 C ASP A 145 29.614 61.866 13.476 1.00 10.18 C ATOM 953 O ASP A 145 29.712 60.685 13.062 1.00 9.87 O ATOM 954 CB ASP A 145 29.235 63.104 11.275 1.00 12.49 C ATOM 955 CG ASP A 145 27.785 63.244 11.529 1.00 15.24 C ATOM 956 OD1 ASP A 145 27.398 64.276 12.142 1.00 18.47 O ATOM 957 OD2 ASP A 145 27.043 62.322 11.173 1.00 20.73 O ATOM 0 H ASP A 145 31.646 62.611 11.482 1.00 10.51 H new ATOM 0 HA ASP A 145 29.895 63.860 13.102 1.00 10.85 H new ATOM 0 HB2 ASP A 145 29.542 63.850 10.736 1.00 12.49 H new ATOM 0 HB3 ASP A 145 29.396 62.297 10.761 1.00 12.49 H new ATOM 958 N ALA A 146 29.024 62.209 14.622 1.00 10.39 N ATOM 959 CA ALA A 146 28.580 61.174 15.570 1.00 10.11 C ATOM 960 C ALA A 146 27.583 60.210 14.949 1.00 10.03 C ATOM 961 O ALA A 146 27.708 58.987 15.071 1.00 9.83 O ATOM 962 CB ALA A 146 27.933 61.885 16.782 1.00 10.11 C ATOM 0 H ALA A 146 28.872 63.018 14.870 1.00 10.39 H new ATOM 0 HA ALA A 146 29.350 60.648 15.838 1.00 10.11 H new ATOM 0 HB1 ALA A 146 27.631 61.222 17.423 1.00 10.11 H new ATOM 0 HB2 ALA A 146 28.585 62.467 17.202 1.00 10.11 H new ATOM 0 HB3 ALA A 146 27.176 62.412 16.482 1.00 10.11 H new ATOM 963 N ARG A 147 26.545 60.743 14.298 1.00 9.77 N ATOM 964 CA ARG A 147 25.521 59.855 13.746 1.00 10.12 C ATOM 965 C ARG A 147 26.114 58.900 12.694 1.00 9.73 C ATOM 966 O ARG A 147 25.764 57.704 12.649 1.00 9.57 O ATOM 967 CB ARG A 147 24.391 60.671 13.091 1.00 11.84 C ATOM 968 CG ARG A 147 23.384 59.748 12.383 1.00 14.67 C ATOM 969 CD ARG A 147 22.179 60.579 11.869 1.00 16.84 C ATOM 970 NE ARG A 147 21.331 60.973 12.975 1.00 20.05 N ATOM 971 CZ ARG A 147 20.411 60.163 13.495 1.00 22.78 C ATOM 972 NH1 ARG A 147 20.246 58.934 13.001 1.00 22.97 N ATOM 973 NH2 ARG A 147 19.670 60.571 14.523 1.00 22.45 N ATOM 0 H ARG A 147 26.418 61.584 14.169 1.00 9.77 H new ATOM 0 HA ARG A 147 25.167 59.334 14.484 1.00 10.12 H new ATOM 0 HB2 ARG A 147 23.934 61.197 13.766 1.00 11.84 H new ATOM 0 HB3 ARG A 147 24.767 61.296 12.452 1.00 11.84 H new ATOM 0 HG2 ARG A 147 23.814 59.295 11.641 1.00 14.67 H new ATOM 0 HG3 ARG A 147 23.076 59.061 12.995 1.00 14.67 H new ATOM 0 HD2 ARG A 147 22.498 61.367 11.401 1.00 16.84 H new ATOM 0 HD3 ARG A 147 21.667 60.058 11.231 1.00 16.84 H new ATOM 0 HE ARG A 147 21.425 61.760 13.309 1.00 20.05 H new ATOM 0 HH11 ARG A 147 20.734 58.665 12.346 1.00 22.97 H new ATOM 0 HH12 ARG A 147 19.652 58.412 13.338 1.00 22.97 H new ATOM 0 HH21 ARG A 147 19.786 61.358 14.851 1.00 22.45 H new ATOM 0 HH22 ARG A 147 19.076 60.048 14.859 1.00 22.45 H new ATOM 974 N THR A 148 26.985 59.429 11.850 1.00 9.28 N ATOM 975 CA THR A 148 27.593 58.601 10.811 1.00 9.85 C ATOM 976 C THR A 148 28.383 57.439 11.440 1.00 9.38 C ATOM 977 O THR A 148 28.250 56.269 11.033 1.00 10.87 O ATOM 978 CB THR A 148 28.524 59.421 9.900 1.00 11.02 C ATOM 979 OG1 THR A 148 27.709 60.455 9.281 1.00 11.44 O ATOM 980 CG2 THR A 148 29.121 58.529 8.835 1.00 11.38 C ATOM 0 H THR A 148 27.237 60.251 11.857 1.00 9.28 H new ATOM 0 HA THR A 148 26.871 58.247 10.268 1.00 9.85 H new ATOM 0 HB THR A 148 29.252 59.811 10.409 1.00 11.02 H new ATOM 0 HG1 THR A 148 27.500 61.030 9.857 1.00 11.44 H new ATOM 0 HG21 THR A 148 29.706 59.052 8.265 1.00 11.38 H new ATOM 0 HG22 THR A 148 29.630 57.819 9.256 1.00 11.38 H new ATOM 0 HG23 THR A 148 28.410 58.143 8.300 1.00 11.38 H new ATOM 981 N GLN A 149 29.156 57.774 12.481 1.00 9.24 N ATOM 982 CA GLN A 149 29.903 56.690 13.165 1.00 8.53 C ATOM 983 C GLN A 149 28.999 55.651 13.799 1.00 8.02 C ATOM 984 O GLN A 149 29.194 54.428 13.591 1.00 8.65 O ATOM 985 CB GLN A 149 30.759 57.258 14.314 1.00 7.79 C ATOM 986 CG GLN A 149 31.907 58.187 13.852 1.00 8.16 C ATOM 987 CD GLN A 149 32.913 58.453 15.003 1.00 10.01 C ATOM 988 OE1 GLN A 149 32.635 58.128 16.179 1.00 10.21 O ATOM 989 NE2 GLN A 149 34.027 59.104 14.688 1.00 8.89 N ATOM 0 H GLN A 149 29.263 58.567 12.796 1.00 9.24 H new ATOM 0 HA GLN A 149 30.442 56.281 12.470 1.00 8.53 H new ATOM 0 HB2 GLN A 149 30.183 57.750 14.920 1.00 7.79 H new ATOM 0 HB3 GLN A 149 31.137 56.520 14.818 1.00 7.79 H new ATOM 0 HG2 GLN A 149 32.370 57.784 13.101 1.00 8.16 H new ATOM 0 HG3 GLN A 149 31.539 59.029 13.540 1.00 8.16 H new ATOM 0 HE21 GLN A 149 34.187 59.312 13.869 1.00 8.89 H new ATOM 0 HE22 GLN A 149 34.589 59.318 15.303 1.00 8.89 H new ATOM 990 N VAL A 150 28.007 56.138 14.565 1.00 9.16 N ATOM 991 CA VAL A 150 27.160 55.242 15.345 1.00 8.40 C ATOM 992 C VAL A 150 26.298 54.376 14.424 1.00 9.39 C ATOM 993 O VAL A 150 26.194 53.160 14.613 1.00 9.51 O ATOM 994 CB VAL A 150 26.302 56.031 16.384 1.00 8.66 C ATOM 995 CG1 VAL A 150 25.353 55.073 17.092 1.00 8.92 C ATOM 996 CG2 VAL A 150 27.213 56.726 17.393 1.00 9.01 C ATOM 0 H VAL A 150 27.816 56.973 14.641 1.00 9.16 H new ATOM 0 HA VAL A 150 27.733 54.646 15.852 1.00 8.40 H new ATOM 0 HB VAL A 150 25.781 56.708 15.925 1.00 8.66 H new ATOM 0 HG11 VAL A 150 24.820 55.563 17.737 1.00 8.92 H new ATOM 0 HG12 VAL A 150 24.768 54.656 16.440 1.00 8.92 H new ATOM 0 HG13 VAL A 150 25.866 54.389 17.550 1.00 8.92 H new ATOM 0 HG21 VAL A 150 26.673 57.214 18.035 1.00 9.01 H new ATOM 0 HG22 VAL A 150 27.747 56.063 17.858 1.00 9.01 H new ATOM 0 HG23 VAL A 150 27.799 57.344 16.928 1.00 9.01 H new ATOM 997 N ALA A 151 25.694 54.971 13.389 1.00 9.85 N ATOM 998 CA ALA A 151 24.883 54.152 12.460 1.00 10.62 C ATOM 999 C ALA A 151 25.713 53.043 11.747 1.00 9.21 C ATOM 1000 O ALA A 151 25.240 51.896 11.542 1.00 10.09 O ATOM 1001 CB ALA A 151 24.244 55.103 11.413 1.00 11.50 C ATOM 0 H ALA A 151 25.734 55.811 13.207 1.00 9.85 H new ATOM 0 HA ALA A 151 24.202 53.690 12.974 1.00 10.62 H new ATOM 0 HB1 ALA A 151 23.707 54.587 10.792 1.00 11.50 H new ATOM 0 HB2 ALA A 151 23.682 55.751 11.865 1.00 11.50 H new ATOM 0 HB3 ALA A 151 24.944 55.566 10.927 1.00 11.50 H new ATOM 1002 N ASP A 152 26.977 53.372 11.386 1.00 8.99 N ATOM 1003 CA ASP A 152 27.876 52.420 10.769 1.00 8.86 C ATOM 1004 C ASP A 152 28.144 51.241 11.749 1.00 8.68 C ATOM 1005 O ASP A 152 28.024 50.049 11.384 1.00 9.32 O ATOM 1006 CB ASP A 152 29.169 53.152 10.394 1.00 10.26 C ATOM 1007 CG ASP A 152 30.125 52.284 9.613 1.00 10.61 C ATOM 1008 OD1 ASP A 152 29.670 51.366 8.855 1.00 13.61 O ATOM 1009 OD2 ASP A 152 31.336 52.534 9.688 1.00 12.60 O ATOM 0 H ASP A 152 27.317 54.154 11.500 1.00 8.99 H new ATOM 0 HA ASP A 152 27.484 52.045 9.965 1.00 8.86 H new ATOM 0 HB2 ASP A 152 28.950 53.938 9.870 1.00 10.26 H new ATOM 0 HB3 ASP A 152 29.607 53.462 11.202 1.00 10.26 H new ATOM 1010 N LEU A 153 28.426 51.600 13.002 1.00 8.89 N ATOM 1011 CA LEU A 153 28.725 50.575 13.996 1.00 9.14 C ATOM 1012 C LEU A 153 27.503 49.725 14.286 1.00 8.92 C ATOM 1013 O LEU A 153 27.629 48.486 14.411 1.00 9.21 O ATOM 1014 CB LEU A 153 29.321 51.174 15.299 1.00 9.28 C ATOM 1015 CG LEU A 153 30.729 51.752 15.164 1.00 9.79 C ATOM 1016 CD1 LEU A 153 31.013 52.616 16.372 1.00 10.70 C ATOM 1017 CD2 LEU A 153 31.724 50.566 15.087 1.00 12.24 C ATOM 0 H LEU A 153 28.449 52.410 13.290 1.00 8.89 H new ATOM 0 HA LEU A 153 29.408 50.000 13.616 1.00 9.14 H new ATOM 0 HB2 LEU A 153 28.729 51.873 15.617 1.00 9.28 H new ATOM 0 HB3 LEU A 153 29.334 50.483 15.979 1.00 9.28 H new ATOM 0 HG LEU A 153 30.816 52.297 14.366 1.00 9.79 H new ATOM 0 HD11 LEU A 153 31.905 52.990 16.300 1.00 10.70 H new ATOM 0 HD12 LEU A 153 30.364 53.335 16.416 1.00 10.70 H new ATOM 0 HD13 LEU A 153 30.953 52.078 17.177 1.00 10.70 H new ATOM 0 HD21 LEU A 153 32.628 50.907 15.001 1.00 12.24 H new ATOM 0 HD22 LEU A 153 31.656 50.033 15.895 1.00 12.24 H new ATOM 0 HD23 LEU A 153 31.512 50.015 14.317 1.00 12.24 H new ATOM 1018 N VAL A 154 26.319 50.347 14.371 1.00 8.78 N ATOM 1019 CA VAL A 154 25.123 49.546 14.656 1.00 9.58 C ATOM 1020 C VAL A 154 24.858 48.530 13.537 1.00 9.65 C ATOM 1021 O VAL A 154 24.502 47.373 13.819 1.00 9.93 O ATOM 1022 CB VAL A 154 23.918 50.445 14.897 1.00 9.05 C ATOM 1023 CG1 VAL A 154 22.630 49.635 14.975 1.00 9.60 C ATOM 1024 CG2 VAL A 154 24.133 51.195 16.190 1.00 11.12 C ATOM 0 H VAL A 154 26.190 51.191 14.272 1.00 8.78 H new ATOM 0 HA VAL A 154 25.281 49.042 15.469 1.00 9.58 H new ATOM 0 HB VAL A 154 23.831 51.064 14.155 1.00 9.05 H new ATOM 0 HG11 VAL A 154 21.881 50.232 15.129 1.00 9.60 H new ATOM 0 HG12 VAL A 154 22.497 49.158 14.141 1.00 9.60 H new ATOM 0 HG13 VAL A 154 22.691 48.999 15.705 1.00 9.60 H new ATOM 0 HG21 VAL A 154 23.373 51.774 16.359 1.00 11.12 H new ATOM 0 HG22 VAL A 154 24.226 50.563 16.920 1.00 11.12 H new ATOM 0 HG23 VAL A 154 24.938 51.731 16.123 1.00 11.12 H new ATOM 1025 N GLN A 155 25.027 48.952 12.272 1.00 9.24 N ATOM 1026 CA GLN A 155 24.902 47.993 11.173 1.00 10.48 C ATOM 1027 C GLN A 155 25.899 46.837 11.306 1.00 10.70 C ATOM 1028 O GLN A 155 25.526 45.664 11.151 1.00 11.67 O ATOM 1029 CB GLN A 155 25.091 48.728 9.847 1.00 12.08 C ATOM 1030 CG GLN A 155 24.893 47.794 8.706 1.00 16.44 C ATOM 1031 CD GLN A 155 24.895 48.553 7.367 1.00 23.30 C ATOM 1032 OE1 GLN A 155 25.934 49.030 6.887 1.00 27.38 O ATOM 1033 NE2 GLN A 155 23.724 48.666 6.776 1.00 23.25 N ATOM 0 H GLN A 155 25.208 49.760 12.040 1.00 9.24 H new ATOM 0 HA GLN A 155 24.016 47.600 11.204 1.00 10.48 H new ATOM 0 HB2 GLN A 155 24.461 49.463 9.785 1.00 12.08 H new ATOM 0 HB3 GLN A 155 25.980 49.113 9.807 1.00 12.08 H new ATOM 0 HG2 GLN A 155 25.596 47.126 8.704 1.00 16.44 H new ATOM 0 HG3 GLN A 155 24.053 47.321 8.813 1.00 16.44 H new ATOM 0 HE21 GLN A 155 23.024 48.322 7.139 1.00 23.25 H new ATOM 0 HE22 GLN A 155 23.659 49.084 6.027 1.00 23.25 H new ATOM 1034 N ASP A 156 27.160 47.164 11.614 1.00 9.04 N ATOM 1035 CA ASP A 156 28.178 46.126 11.812 1.00 8.85 C ATOM 1036 C ASP A 156 27.774 45.152 12.930 1.00 8.40 C ATOM 1037 O ASP A 156 27.854 43.923 12.762 1.00 9.54 O ATOM 1038 CB ASP A 156 29.488 46.790 12.241 1.00 9.66 C ATOM 1039 CG ASP A 156 30.217 47.495 11.099 1.00 12.19 C ATOM 1040 OD1 ASP A 156 29.959 47.146 9.909 1.00 12.41 O ATOM 1041 OD2 ASP A 156 31.065 48.339 11.445 1.00 11.01 O ATOM 0 H ASP A 156 27.443 47.970 11.712 1.00 9.04 H new ATOM 0 HA ASP A 156 28.274 45.641 10.978 1.00 8.85 H new ATOM 0 HB2 ASP A 156 29.301 47.434 12.942 1.00 9.66 H new ATOM 0 HB3 ASP A 156 30.074 46.117 12.622 1.00 9.66 H new ATOM 1042 N LEU A 157 27.348 45.693 14.078 1.00 8.42 N ATOM 1043 CA LEU A 157 27.121 44.847 15.237 1.00 8.11 C ATOM 1044 C LEU A 157 25.873 44.010 15.059 1.00 9.07 C ATOM 1045 O LEU A 157 25.765 42.900 15.599 1.00 9.48 O ATOM 1046 CB LEU A 157 27.026 45.699 16.515 1.00 8.12 C ATOM 1047 CG LEU A 157 28.348 46.469 16.778 1.00 9.13 C ATOM 1048 CD1 LEU A 157 28.150 47.651 17.776 1.00 14.73 C ATOM 1049 CD2 LEU A 157 29.395 45.470 17.327 1.00 14.15 C ATOM 0 H LEU A 157 27.190 46.530 14.198 1.00 8.42 H new ATOM 0 HA LEU A 157 27.876 44.244 15.325 1.00 8.11 H new ATOM 0 HB2 LEU A 157 26.293 46.329 16.433 1.00 8.12 H new ATOM 0 HB3 LEU A 157 26.825 45.128 17.273 1.00 8.12 H new ATOM 0 HG LEU A 157 28.654 46.857 15.943 1.00 9.13 H new ATOM 0 HD11 LEU A 157 28.996 48.104 17.913 1.00 14.73 H new ATOM 0 HD12 LEU A 157 27.504 48.276 17.413 1.00 14.73 H new ATOM 0 HD13 LEU A 157 27.827 47.308 18.624 1.00 14.73 H new ATOM 0 HD21 LEU A 157 30.229 45.936 17.497 1.00 14.15 H new ATOM 0 HD22 LEU A 157 29.069 45.080 18.153 1.00 14.15 H new ATOM 0 HD23 LEU A 157 29.545 44.767 16.675 1.00 14.15 H new ATOM 1050 N SER A 158 24.898 44.520 14.296 1.00 9.37 N ATOM 1051 CA SER A 158 23.738 43.657 13.973 1.00 9.84 C ATOM 1052 C SER A 158 24.214 42.393 13.221 1.00 8.86 C ATOM 1053 O SER A 158 23.794 41.252 13.548 1.00 9.77 O ATOM 1054 CB SER A 158 22.772 44.481 13.104 1.00 9.25 C ATOM 1055 OG SER A 158 22.189 45.578 13.852 1.00 10.72 O ATOM 0 H SER A 158 24.880 45.315 13.969 1.00 9.37 H new ATOM 0 HA SER A 158 23.289 43.365 14.782 1.00 9.84 H new ATOM 0 HB2 SER A 158 23.246 44.829 12.333 1.00 9.25 H new ATOM 0 HB3 SER A 158 22.067 43.906 12.768 1.00 9.25 H new ATOM 0 HG SER A 158 22.754 46.195 13.931 1.00 10.72 H new ATOM 1056 N ARG A 159 25.117 42.595 12.234 1.00 9.55 N ATOM 1057 CA ARG A 159 25.631 41.495 11.441 1.00 9.81 C ATOM 1058 C ARG A 159 26.487 40.570 12.288 1.00 9.23 C ATOM 1059 O ARG A 159 26.360 39.331 12.207 1.00 9.82 O ATOM 1060 CB AARG A 159 26.421 42.025 10.233 0.50 9.95 C ATOM 1061 CG AARG A 159 25.529 42.713 9.227 0.50 7.80 C ATOM 1062 CD AARG A 159 26.332 43.552 8.273 0.50 11.63 C ATOM 1063 NE AARG A 159 25.545 44.251 7.231 0.50 11.26 N ATOM 1064 CZ AARG A 159 26.104 45.131 6.402 0.50 14.53 C ATOM 1065 NH1AARG A 159 27.408 45.417 6.527 0.50 13.18 N ATOM 1066 NH2AARG A 159 25.368 45.738 5.464 0.50 14.88 N ATOM 1067 CB BARG A 159 26.479 42.041 10.281 0.25 10.11 C ATOM 1068 CG BARG A 159 26.803 41.018 9.201 0.25 11.21 C ATOM 1069 CD BARG A 159 27.736 41.583 8.103 0.25 12.01 C ATOM 1070 NE BARG A 159 27.690 43.041 7.930 0.25 16.83 N ATOM 1071 CZ BARG A 159 26.685 43.747 7.403 0.25 20.17 C ATOM 1072 NH1BARG A 159 25.559 43.161 6.988 0.25 21.83 N ATOM 1073 NH2BARG A 159 26.801 45.071 7.316 0.25 22.10 N ATOM 1074 CB CARG A 159 26.434 42.012 10.237 0.25 10.17 C ATOM 1075 CG CARG A 159 27.017 40.903 9.383 0.25 11.08 C ATOM 1076 CD CARG A 159 27.450 41.410 8.025 0.25 14.29 C ATOM 1077 NE CARG A 159 28.108 40.361 7.249 0.25 13.55 N ATOM 1078 CZ CARG A 159 28.389 40.451 5.952 0.25 15.14 C ATOM 1079 NH1CARG A 159 28.034 41.529 5.261 0.25 18.19 N ATOM 1080 NH2CARG A 159 29.001 39.454 5.341 0.25 16.36 N ATOM 0 H ARG A 159 25.433 43.366 12.021 1.00 9.55 H new ATOM 0 HA ARG A 159 24.876 40.994 11.094 1.00 9.81 H new ATOM 0 HB2AARG A 159 27.100 42.646 10.540 0.50 10.17 H new ATOM 0 HB2BARG A 159 26.009 42.786 9.875 0.25 10.17 H new ATOM 0 HB2CARG A 159 25.859 42.567 9.687 0.25 10.17 H new ATOM 0 HB3AARG A 159 26.884 41.289 9.803 0.50 10.17 H new ATOM 0 HB3BARG A 159 27.310 42.391 10.639 0.25 10.17 H new ATOM 0 HB3CARG A 159 27.154 42.578 10.556 0.25 10.17 H new ATOM 0 HG2AARG A 159 25.024 42.049 8.732 0.50 11.08 H new ATOM 0 HG2BARG A 159 27.222 40.244 9.609 0.25 11.08 H new ATOM 0 HG2CARG A 159 27.777 40.509 9.839 0.25 11.08 H new ATOM 0 HG3AARG A 159 24.885 43.272 9.690 0.50 11.08 H new ATOM 0 HG3BARG A 159 25.978 40.712 8.793 0.25 11.08 H new ATOM 0 HG3CARG A 159 26.358 40.200 9.271 0.25 11.08 H new ATOM 0 HD2AARG A 159 26.826 44.213 8.783 0.50 14.29 H new ATOM 0 HD2BARG A 159 28.648 41.325 8.310 0.25 14.29 H new ATOM 0 HD2CARG A 159 26.677 41.738 7.539 0.25 14.29 H new ATOM 0 HD3AARG A 159 26.986 42.984 7.837 0.50 14.29 H new ATOM 0 HD3BARG A 159 27.508 41.164 7.258 0.25 14.29 H new ATOM 0 HD3CARG A 159 28.055 42.160 8.136 0.25 14.29 H new ATOM 0 HE AARG A 159 24.704 44.084 7.159 0.50 13.55 H new ATOM 0 HE BARG A 159 28.378 43.484 8.194 0.25 13.55 H new ATOM 0 HE CARG A 159 28.328 39.637 7.658 0.25 13.55 H new ATOM 0 HH11AARG A 159 27.876 45.033 7.138 0.50 18.19 H new ATOM 0 HH11BARG A 159 25.467 42.309 7.057 0.25 18.19 H new ATOM 0 HH11CARG A 159 27.620 42.173 5.652 0.25 18.19 H new ATOM 0 HH12AARG A 159 27.777 45.984 5.996 0.50 18.19 H new ATOM 0 HH12BARG A 159 24.926 43.636 6.652 0.25 18.19 H new ATOM 0 HH12CARG A 159 28.218 41.582 4.423 0.25 18.19 H new ATOM 0 HH21AARG A 159 24.529 45.561 5.394 0.50 16.36 H new ATOM 0 HH21BARG A 159 27.515 45.459 7.597 0.25 16.36 H new ATOM 0 HH21CARG A 159 29.217 38.748 5.781 0.25 16.36 H new ATOM 0 HH22AARG A 159 25.734 46.305 4.931 0.50 16.36 H new ATOM 0 HH22BARG A 159 26.162 45.537 6.979 0.25 16.36 H new ATOM 0 HH22CARG A 159 29.183 39.511 4.502 0.25 16.36 H new ATOM 1081 N VAL A 160 27.353 41.157 13.122 1.00 8.73 N ATOM 1082 CA VAL A 160 28.288 40.324 13.901 1.00 9.13 C ATOM 1083 C VAL A 160 27.572 39.533 15.004 1.00 8.60 C ATOM 1084 O VAL A 160 27.909 38.354 15.221 1.00 9.09 O ATOM 1085 CB VAL A 160 29.431 41.195 14.493 1.00 9.57 C ATOM 1086 CG1 VAL A 160 30.322 40.357 15.414 1.00 10.91 C ATOM 1087 CG2 VAL A 160 30.236 41.881 13.327 1.00 9.86 C ATOM 0 H VAL A 160 27.418 42.005 13.251 1.00 8.73 H new ATOM 0 HA VAL A 160 28.676 39.675 13.293 1.00 9.13 H new ATOM 0 HB VAL A 160 29.055 41.902 15.040 1.00 9.57 H new ATOM 0 HG11 VAL A 160 31.029 40.914 15.775 1.00 10.91 H new ATOM 0 HG12 VAL A 160 29.790 39.999 16.142 1.00 10.91 H new ATOM 0 HG13 VAL A 160 30.712 39.626 14.910 1.00 10.91 H new ATOM 0 HG21 VAL A 160 30.948 42.423 13.701 1.00 9.86 H new ATOM 0 HG22 VAL A 160 30.617 41.199 12.752 1.00 9.86 H new ATOM 0 HG23 VAL A 160 29.639 42.444 12.809 1.00 9.86 H new ATOM 1088 N GLY A 161 26.573 40.134 15.672 1.00 9.10 N ATOM 1089 CA GLY A 161 25.859 39.395 16.722 1.00 8.70 C ATOM 1090 C GLY A 161 25.029 38.248 16.113 1.00 9.03 C ATOM 1091 O GLY A 161 25.056 37.129 16.620 1.00 8.70 O ATOM 0 H GLY A 161 26.303 40.939 15.538 1.00 9.10 H new ATOM 0 HA2 GLY A 161 26.495 39.036 17.361 1.00 8.70 H new ATOM 0 HA3 GLY A 161 25.277 39.998 17.210 1.00 8.70 H new ATOM 1092 N LYS A 162 24.295 38.531 15.001 1.00 9.84 N ATOM 1093 CA LYS A 162 23.606 37.396 14.324 1.00 9.83 C ATOM 1094 C LYS A 162 24.609 36.322 13.857 1.00 8.86 C ATOM 1095 O LYS A 162 24.336 35.108 13.930 1.00 9.68 O ATOM 1096 CB LYS A 162 22.798 37.940 13.142 1.00 11.27 C ATOM 1097 CG LYS A 162 22.007 36.803 12.462 1.00 11.42 C ATOM 1098 CD LYS A 162 21.089 37.425 11.395 1.00 14.57 C ATOM 1099 CE LYS A 162 20.215 36.289 10.814 1.00 20.32 C ATOM 1100 NZ LYS A 162 21.017 35.346 9.979 1.00 22.48 N ATOM 0 H LYS A 162 24.189 39.308 14.648 1.00 9.84 H new ATOM 0 HA LYS A 162 23.009 36.967 14.957 1.00 9.83 H new ATOM 0 HB2 LYS A 162 22.187 38.628 13.450 1.00 11.27 H new ATOM 0 HB3 LYS A 162 23.394 38.356 12.500 1.00 11.27 H new ATOM 0 HG2 LYS A 162 22.614 36.165 12.055 1.00 11.42 H new ATOM 0 HG3 LYS A 162 21.482 36.317 13.118 1.00 11.42 H new ATOM 0 HD2 LYS A 162 20.533 38.118 11.785 1.00 14.57 H new ATOM 0 HD3 LYS A 162 21.614 37.843 10.695 1.00 14.57 H new ATOM 0 HE2 LYS A 162 19.794 35.801 11.539 1.00 20.32 H new ATOM 0 HE3 LYS A 162 19.503 36.671 10.278 1.00 20.32 H new ATOM 0 HZ1 LYS A 162 20.471 34.776 9.568 1.00 22.48 H new ATOM 0 HZ2 LYS A 162 21.478 35.805 9.372 1.00 22.48 H new ATOM 0 HZ3 LYS A 162 21.580 34.894 10.499 1.00 22.48 H new ATOM 1101 N GLY A 163 25.782 36.774 13.403 1.00 9.08 N ATOM 1102 CA GLY A 163 26.847 35.899 12.935 1.00 8.94 C ATOM 1103 C GLY A 163 27.234 34.941 14.042 1.00 9.18 C ATOM 1104 O GLY A 163 27.324 33.733 13.830 1.00 8.90 O ATOM 0 H GLY A 163 25.979 37.610 13.360 1.00 9.08 H new ATOM 0 HA2 GLY A 163 26.553 35.405 12.154 1.00 8.94 H new ATOM 0 HA3 GLY A 163 27.616 36.425 12.665 1.00 8.94 H new ATOM 1105 N TYR A 164 27.471 35.483 15.239 1.00 8.50 N ATOM 1106 CA TYR A 164 27.852 34.543 16.318 1.00 8.76 C ATOM 1107 C TYR A 164 26.713 33.598 16.705 1.00 8.07 C ATOM 1108 O TYR A 164 26.972 32.426 17.071 1.00 9.25 O ATOM 1109 CB TYR A 164 28.284 35.334 17.559 1.00 7.77 C ATOM 1110 CG TYR A 164 29.747 35.816 17.556 1.00 6.88 C ATOM 1111 CD1 TYR A 164 30.799 34.934 17.377 1.00 7.43 C ATOM 1112 CD2 TYR A 164 30.028 37.177 17.762 1.00 7.50 C ATOM 1113 CE1 TYR A 164 32.127 35.343 17.473 1.00 7.31 C ATOM 1114 CE2 TYR A 164 31.383 37.632 17.864 1.00 6.98 C ATOM 1115 CZ TYR A 164 32.413 36.701 17.698 1.00 8.62 C ATOM 1116 OH TYR A 164 33.724 37.098 17.788 1.00 9.80 O ATOM 0 H TYR A 164 27.425 36.317 15.445 1.00 8.50 H new ATOM 0 HA TYR A 164 28.583 34.002 15.980 1.00 8.76 H new ATOM 0 HB2 TYR A 164 27.705 36.107 17.650 1.00 7.77 H new ATOM 0 HB3 TYR A 164 28.143 34.780 18.343 1.00 7.77 H new ATOM 0 HD1 TYR A 164 30.614 34.043 17.187 1.00 7.43 H new ATOM 0 HD2 TYR A 164 29.330 37.787 17.833 1.00 7.50 H new ATOM 0 HE1 TYR A 164 32.817 34.725 17.389 1.00 7.31 H new ATOM 0 HE2 TYR A 164 31.573 38.526 18.037 1.00 6.98 H new ATOM 0 HH TYR A 164 34.210 36.429 17.938 1.00 9.80 H new ATOM 1117 N ARG A 165 25.453 34.081 16.706 1.00 8.96 N ATOM 1118 CA ARG A 165 24.339 33.168 17.000 1.00 9.44 C ATOM 1119 C ARG A 165 24.289 32.031 15.949 1.00 8.59 C ATOM 1120 O ARG A 165 24.236 30.836 16.319 1.00 8.16 O ATOM 1121 CB ARG A 165 23.014 33.940 16.998 1.00 8.83 C ATOM 1122 CG ARG A 165 21.783 33.136 17.559 1.00 10.22 C ATOM 1123 CD ARG A 165 21.191 32.066 16.581 1.00 10.13 C ATOM 1124 NE ARG A 165 20.847 32.678 15.274 1.00 9.70 N ATOM 1125 CZ ARG A 165 19.640 33.147 14.960 1.00 12.31 C ATOM 1126 NH1 ARG A 165 18.634 33.119 15.860 1.00 11.71 N ATOM 1127 NH2 ARG A 165 19.455 33.669 13.742 1.00 12.21 N ATOM 0 H ARG A 165 25.233 34.897 16.546 1.00 8.96 H new ATOM 0 HA ARG A 165 24.477 32.778 17.878 1.00 9.44 H new ATOM 0 HB2 ARG A 165 23.124 34.748 17.524 1.00 8.83 H new ATOM 0 HB3 ARG A 165 22.817 34.217 16.090 1.00 8.83 H new ATOM 0 HG2 ARG A 165 22.050 32.692 18.379 1.00 10.22 H new ATOM 0 HG3 ARG A 165 21.082 33.765 17.792 1.00 10.22 H new ATOM 0 HD2 ARG A 165 21.834 31.352 16.449 1.00 10.13 H new ATOM 0 HD3 ARG A 165 20.399 31.666 16.974 1.00 10.13 H new ATOM 0 HE ARG A 165 21.467 32.734 14.681 1.00 9.70 H new ATOM 0 HH11 ARG A 165 18.769 32.796 16.646 1.00 11.71 H new ATOM 0 HH12 ARG A 165 17.858 33.424 15.648 1.00 11.71 H new ATOM 0 HH21 ARG A 165 20.107 33.696 13.182 1.00 12.21 H new ATOM 0 HH22 ARG A 165 18.684 33.977 13.519 1.00 12.21 H new ATOM 1128 N ASP A 166 24.362 32.409 14.665 1.00 8.22 N ATOM 1129 CA ASP A 166 24.333 31.395 13.586 1.00 8.31 C ATOM 1130 C ASP A 166 25.539 30.443 13.652 1.00 8.82 C ATOM 1131 O ASP A 166 25.423 29.209 13.491 1.00 10.39 O ATOM 1132 CB ASP A 166 24.323 32.099 12.238 1.00 8.89 C ATOM 1133 CG ASP A 166 23.033 32.871 11.972 1.00 11.76 C ATOM 1134 OD1 ASP A 166 21.992 32.690 12.667 1.00 12.69 O ATOM 1135 OD2 ASP A 166 23.046 33.626 10.964 1.00 14.07 O ATOM 0 H ASP A 166 24.427 33.224 14.398 1.00 8.22 H new ATOM 0 HA ASP A 166 23.530 30.863 13.702 1.00 8.31 H new ATOM 0 HB2 ASP A 166 25.074 32.711 12.194 1.00 8.89 H new ATOM 0 HB3 ASP A 166 24.451 31.442 11.536 1.00 8.89 H new ATOM 1136 N ASP A 167 26.730 31.008 13.915 1.00 8.38 N ATOM 1137 CA ASP A 167 27.957 30.209 13.964 1.00 8.71 C ATOM 1138 C ASP A 167 27.945 29.276 15.188 1.00 8.83 C ATOM 1139 O ASP A 167 28.476 28.160 15.103 1.00 9.69 O ATOM 1140 CB ASP A 167 29.185 31.125 14.062 1.00 9.96 C ATOM 1141 CG ASP A 167 29.442 31.946 12.799 1.00 11.13 C ATOM 1142 OD1 ASP A 167 28.867 31.638 11.714 1.00 11.91 O ATOM 1143 OD2 ASP A 167 30.235 32.899 12.913 1.00 11.44 O ATOM 0 H ASP A 167 26.843 31.847 14.066 1.00 8.38 H new ATOM 0 HA ASP A 167 28.002 29.681 13.151 1.00 8.71 H new ATOM 0 HB2 ASP A 167 29.069 31.729 14.812 1.00 9.96 H new ATOM 0 HB3 ASP A 167 29.968 30.584 14.251 1.00 9.96 H new ATOM 1144 N SER A 168 27.364 29.723 16.308 1.00 8.31 N ATOM 1145 CA SER A 168 27.182 28.830 17.445 1.00 8.93 C ATOM 1146 C SER A 168 26.362 27.586 17.047 1.00 9.55 C ATOM 1147 O SER A 168 26.761 26.443 17.332 1.00 9.67 O ATOM 1148 CB SER A 168 26.484 29.574 18.599 1.00 9.66 C ATOM 1149 OG SER A 168 26.150 28.649 19.619 1.00 10.93 O ATOM 0 H SER A 168 27.075 30.525 16.424 1.00 8.31 H new ATOM 0 HA SER A 168 28.058 28.535 17.740 1.00 8.93 H new ATOM 0 HB2 SER A 168 27.067 30.264 18.952 1.00 9.66 H new ATOM 0 HB3 SER A 168 25.684 30.017 18.275 1.00 9.66 H new ATOM 0 HG SER A 168 25.995 29.063 20.333 1.00 10.93 H new ATOM 1150 N GLN A 169 25.217 27.835 16.385 1.00 9.91 N ATOM 1151 CA GLN A 169 24.377 26.679 15.969 1.00 10.28 C ATOM 1152 C GLN A 169 25.150 25.792 14.995 1.00 11.16 C ATOM 1153 O GLN A 169 25.093 24.544 15.101 1.00 11.28 O ATOM 1154 CB GLN A 169 23.059 27.174 15.345 1.00 10.25 C ATOM 1155 CG GLN A 169 22.220 27.980 16.339 1.00 10.81 C ATOM 1156 CD GLN A 169 20.902 28.434 15.733 1.00 13.23 C ATOM 1157 OE1 GLN A 169 20.890 28.959 14.603 1.00 17.82 O ATOM 1158 NE2 GLN A 169 19.799 28.208 16.453 1.00 15.73 N ATOM 0 H GLN A 169 24.918 28.614 16.175 1.00 9.91 H new ATOM 0 HA GLN A 169 24.157 26.149 16.751 1.00 10.28 H new ATOM 0 HB2 GLN A 169 23.255 27.723 14.570 1.00 10.25 H new ATOM 0 HB3 GLN A 169 22.545 26.413 15.031 1.00 10.25 H new ATOM 0 HG2 GLN A 169 22.045 27.440 17.126 1.00 10.81 H new ATOM 0 HG3 GLN A 169 22.724 28.755 16.633 1.00 10.81 H new ATOM 0 HE21 GLN A 169 19.859 27.842 17.229 1.00 15.73 H new ATOM 0 HE22 GLN A 169 19.029 28.428 16.140 1.00 15.73 H new ATOM 1159 N ALA A 170 25.894 26.393 14.056 1.00 10.58 N ATOM 1160 CA ALA A 170 26.657 25.606 13.073 1.00 10.72 C ATOM 1161 C ALA A 170 27.709 24.753 13.758 1.00 10.19 C ATOM 1162 O ALA A 170 27.919 23.581 13.391 1.00 10.85 O ATOM 1163 CB ALA A 170 27.349 26.518 12.045 1.00 11.25 C ATOM 0 H ALA A 170 25.970 27.245 13.971 1.00 10.58 H new ATOM 0 HA ALA A 170 26.023 25.032 12.615 1.00 10.72 H new ATOM 0 HB1 ALA A 170 27.843 25.975 11.411 1.00 11.25 H new ATOM 0 HB2 ALA A 170 26.681 27.038 11.572 1.00 11.25 H new ATOM 0 HB3 ALA A 170 27.960 27.116 12.503 1.00 11.25 H new ATOM 1164 N CYS A 171 28.373 25.327 14.775 1.00 9.35 N ATOM 1165 CA CYS A 171 29.410 24.568 15.457 1.00 9.85 C ATOM 1166 C CYS A 171 28.818 23.413 16.268 1.00 10.43 C ATOM 1167 O CYS A 171 29.363 22.296 16.269 1.00 10.46 O ATOM 1168 CB CYS A 171 30.293 25.455 16.382 1.00 10.01 C ATOM 1169 SG CYS A 171 31.394 26.562 15.477 1.00 12.06 S ATOM 0 H CYS A 171 28.239 26.124 15.070 1.00 9.35 H new ATOM 0 HA CYS A 171 29.978 24.208 14.758 1.00 9.85 H new ATOM 0 HB2 CYS A 171 29.718 25.982 16.958 1.00 10.01 H new ATOM 0 HB3 CYS A 171 30.823 24.882 16.958 1.00 10.01 H new ATOM 0 HG CYS A 171 31.414 27.635 16.015 1.00 12.06 H new ATOM 1170 N ASP A 172 27.712 23.668 16.952 1.00 10.90 N ATOM 1171 CA ASP A 172 27.029 22.615 17.695 1.00 12.72 C ATOM 1172 C ASP A 172 26.665 21.441 16.739 1.00 12.78 C ATOM 1173 O ASP A 172 26.908 20.260 17.050 1.00 12.84 O ATOM 1174 CB AASP A 172 25.730 23.192 18.234 0.50 14.26 C ATOM 1175 CG AASP A 172 25.585 23.040 19.718 0.50 19.08 C ATOM 1176 OD1AASP A 172 25.135 24.041 20.328 0.50 19.43 O ATOM 1177 OD2AASP A 172 25.871 21.927 20.268 0.50 17.91 O ATOM 1178 CB BASP A 172 25.801 23.201 18.308 0.50 14.47 C ATOM 1179 CG BASP A 172 25.547 22.651 19.625 0.50 19.80 C ATOM 1180 OD1BASP A 172 26.441 22.853 20.516 0.50 22.19 O ATOM 1181 OD2BASP A 172 24.460 22.049 19.744 0.50 21.53 O ATOM 0 H ASP A 172 27.340 24.442 17.000 1.00 10.90 H new ATOM 0 HA ASP A 172 27.603 22.293 18.407 1.00 12.72 H new ATOM 0 HB2AASP A 172 25.682 24.133 18.005 0.50 14.47 H new ATOM 0 HB2BASP A 172 25.898 24.164 18.372 0.50 14.47 H new ATOM 0 HB3AASP A 172 24.983 22.755 17.796 0.50 14.47 H new ATOM 0 HB3BASP A 172 25.039 23.031 17.733 0.50 14.47 H new ATOM 1182 N GLU A 173 26.171 21.805 15.560 1.00 12.95 N ATOM 1183 CA GLU A 173 25.752 20.798 14.548 1.00 14.30 C ATOM 1184 C GLU A 173 26.944 19.994 14.048 1.00 13.46 C ATOM 1185 O GLU A 173 26.805 18.780 13.692 1.00 15.85 O ATOM 1186 CB GLU A 173 25.025 21.468 13.366 1.00 15.79 C ATOM 1187 CG GLU A 173 24.102 20.468 12.633 1.00 24.03 C ATOM 1188 CD GLU A 173 23.005 19.946 13.593 0.75 30.76 C ATOM 1189 OE1 GLU A 173 22.389 20.769 14.327 0.75 37.13 O ATOM 1190 OE2 GLU A 173 22.793 18.720 13.662 0.75 37.47 O ATOM 0 H GLU A 173 26.065 22.622 15.314 1.00 12.95 H new ATOM 0 HA GLU A 173 25.133 20.189 14.981 1.00 14.30 H new ATOM 0 HB2 GLU A 173 24.501 22.218 13.689 1.00 15.79 H new ATOM 0 HB3 GLU A 173 25.677 21.825 12.743 1.00 15.79 H new ATOM 0 HG2 GLU A 173 23.692 20.899 11.867 1.00 24.03 H new ATOM 0 HG3 GLU A 173 24.625 19.724 12.294 1.00 24.03 H new ATOM 1191 N ALA A 174 28.119 20.637 14.005 1.00 11.42 N ATOM 1192 CA ALA A 174 29.386 20.010 13.608 1.00 11.16 C ATOM 1193 C ALA A 174 30.133 19.272 14.767 1.00 10.39 C ATOM 1194 O ALA A 174 31.314 18.924 14.655 1.00 12.13 O ATOM 1195 CB ALA A 174 30.305 21.062 12.977 1.00 12.50 C ATOM 0 H ALA A 174 28.201 21.468 14.211 1.00 11.42 H new ATOM 0 HA ALA A 174 29.156 19.322 12.964 1.00 11.16 H new ATOM 0 HB1 ALA A 174 31.141 20.646 12.715 1.00 12.50 H new ATOM 0 HB2 ALA A 174 29.874 21.441 12.195 1.00 12.50 H new ATOM 0 HB3 ALA A 174 30.482 21.766 13.621 1.00 12.50 H new ATOM 1196 N ASN A 175 29.406 19.038 15.865 1.00 10.17 N ATOM 1197 CA ASN A 175 29.905 18.303 17.022 1.00 10.01 C ATOM 1198 C ASN A 175 31.019 19.034 17.766 1.00 10.07 C ATOM 1199 O ASN A 175 31.902 18.446 18.358 1.00 9.94 O ATOM 1200 CB ASN A 175 30.317 16.878 16.623 1.00 10.62 C ATOM 1201 CG ASN A 175 29.098 16.067 16.211 1.00 12.49 C ATOM 1202 OD1 ASN A 175 28.123 16.001 16.941 1.00 13.70 O ATOM 1203 ND2 ASN A 175 29.129 15.511 15.006 1.00 14.17 N ATOM 0 H ASN A 175 28.595 19.309 15.955 1.00 10.17 H new ATOM 0 HA ASN A 175 29.172 18.241 17.654 1.00 10.01 H new ATOM 0 HB2 ASN A 175 30.952 16.912 15.891 1.00 10.62 H new ATOM 0 HB3 ASN A 175 30.764 16.445 17.367 1.00 10.62 H new ATOM 0 HD21 ASN A 175 28.443 15.083 14.712 1.00 14.17 H new ATOM 0 HD22 ASN A 175 29.835 15.579 14.519 1.00 14.17 H new ATOM 1204 N ASP A 176 30.923 20.360 17.697 1.00 9.75 N ATOM 1205 CA ASP A 176 31.840 21.236 18.441 1.00 10.21 C ATOM 1206 C ASP A 176 31.050 22.188 19.364 1.00 8.55 C ATOM 1207 O ASP A 176 30.971 23.409 19.098 1.00 8.84 O ATOM 1208 CB ASP A 176 32.745 22.048 17.495 1.00 9.94 C ATOM 1209 CG ASP A 176 33.863 22.780 18.243 1.00 11.32 C ATOM 1210 OD1 ASP A 176 33.913 22.681 19.516 1.00 10.44 O ATOM 1211 OD2 ASP A 176 34.683 23.413 17.548 1.00 13.55 O ATOM 0 H ASP A 176 30.336 20.776 17.227 1.00 9.75 H new ATOM 0 HA ASP A 176 32.409 20.667 18.983 1.00 10.21 H new ATOM 0 HB2 ASP A 176 33.136 21.453 16.836 1.00 9.94 H new ATOM 0 HB3 ASP A 176 32.206 22.693 17.011 1.00 9.94 H new ATOM 1212 N PRO A 177 30.451 21.651 20.454 1.00 8.40 N ATOM 1213 CA PRO A 177 29.727 22.455 21.424 1.00 9.59 C ATOM 1214 C PRO A 177 30.705 23.373 22.191 1.00 9.27 C ATOM 1215 O PRO A 177 30.251 24.332 22.842 1.00 10.47 O ATOM 1216 CB PRO A 177 29.105 21.388 22.369 1.00 11.70 C ATOM 1217 CG PRO A 177 30.053 20.234 22.291 1.00 9.92 C ATOM 1218 CD PRO A 177 30.398 20.197 20.789 1.00 10.21 C ATOM 0 HA PRO A 177 29.063 23.041 21.028 1.00 9.59 H new ATOM 0 HB2 PRO A 177 29.026 21.721 23.277 1.00 11.70 H new ATOM 0 HB3 PRO A 177 28.214 21.135 22.081 1.00 11.70 H new ATOM 0 HG2 PRO A 177 30.840 20.374 22.840 1.00 9.92 H new ATOM 0 HG3 PRO A 177 29.643 19.407 22.589 1.00 9.92 H new ATOM 0 HD2 PRO A 177 31.244 19.753 20.621 1.00 10.21 H new ATOM 0 HD3 PRO A 177 29.724 19.728 20.272 1.00 10.21 H new ATOM 1219 N VAL A 178 32.001 23.046 22.141 1.00 9.10 N ATOM 1220 CA VAL A 178 33.025 23.810 22.865 1.00 8.65 C ATOM 1221 C VAL A 178 33.190 25.205 22.220 1.00 9.68 C ATOM 1222 O VAL A 178 33.061 26.270 22.882 1.00 9.12 O ATOM 1223 CB VAL A 178 34.330 23.003 22.898 1.00 11.05 C ATOM 1224 CG1 VAL A 178 35.421 23.779 23.589 1.00 12.81 C ATOM 1225 CG2 VAL A 178 34.046 21.603 23.553 1.00 11.46 C ATOM 0 H VAL A 178 32.309 22.381 21.691 1.00 9.10 H new ATOM 0 HA VAL A 178 32.756 23.959 23.785 1.00 8.65 H new ATOM 0 HB VAL A 178 34.654 22.845 21.997 1.00 11.05 H new ATOM 0 HG11 VAL A 178 36.236 23.253 23.599 1.00 12.81 H new ATOM 0 HG12 VAL A 178 35.579 24.609 23.113 1.00 12.81 H new ATOM 0 HG13 VAL A 178 35.152 23.975 24.500 1.00 12.81 H new ATOM 0 HG21 VAL A 178 34.866 21.085 23.578 1.00 11.46 H new ATOM 0 HG22 VAL A 178 33.716 21.729 24.456 1.00 11.46 H new ATOM 0 HG23 VAL A 178 33.381 21.129 23.029 1.00 11.46 H new ATOM 1226 N THR A 179 33.467 25.236 20.913 1.00 8.10 N ATOM 1227 CA THR A 179 33.522 26.514 20.203 1.00 7.98 C ATOM 1228 C THR A 179 32.164 27.219 20.243 1.00 8.33 C ATOM 1229 O THR A 179 32.098 28.438 20.447 1.00 8.95 O ATOM 1230 CB THR A 179 33.961 26.306 18.739 1.00 8.71 C ATOM 1231 OG1 THR A 179 35.196 25.605 18.731 1.00 8.34 O ATOM 1232 CG2 THR A 179 34.115 27.683 18.088 1.00 9.17 C ATOM 0 H THR A 179 33.623 24.543 20.429 1.00 8.10 H new ATOM 0 HA THR A 179 34.176 27.074 20.650 1.00 7.98 H new ATOM 0 HB THR A 179 33.306 25.789 18.244 1.00 8.71 H new ATOM 0 HG1 THR A 179 35.204 25.059 18.093 1.00 8.34 H new ATOM 0 HG21 THR A 179 34.391 27.575 17.164 1.00 9.17 H new ATOM 0 HG22 THR A 179 33.267 28.152 18.119 1.00 9.17 H new ATOM 0 HG23 THR A 179 34.785 28.195 18.568 1.00 9.17 H new ATOM 1233 N ALA A 180 31.078 26.478 20.088 1.00 8.19 N ATOM 1234 CA ALA A 180 29.761 27.086 20.213 1.00 8.93 C ATOM 1235 C ALA A 180 29.589 27.858 21.535 1.00 8.86 C ATOM 1236 O ALA A 180 29.036 28.960 21.550 1.00 9.34 O ATOM 1237 CB ALA A 180 28.660 26.040 20.073 1.00 10.10 C ATOM 0 H ALA A 180 31.078 25.636 19.913 1.00 8.19 H new ATOM 0 HA ALA A 180 29.685 27.727 19.489 1.00 8.93 H new ATOM 0 HB1 ALA A 180 27.794 26.468 20.160 1.00 10.10 H new ATOM 0 HB2 ALA A 180 28.725 25.616 19.203 1.00 10.10 H new ATOM 0 HB3 ALA A 180 28.760 25.370 20.767 1.00 10.10 H new ATOM 1238 N ASP A 181 30.023 27.261 22.634 1.00 8.86 N ATOM 1239 CA ASP A 181 29.905 27.932 23.933 1.00 9.23 C ATOM 1240 C ASP A 181 30.679 29.269 23.946 1.00 9.40 C ATOM 1241 O ASP A 181 30.184 30.291 24.501 1.00 9.02 O ATOM 1242 CB ASP A 181 30.447 26.987 24.991 1.00 9.18 C ATOM 1243 CG ASP A 181 30.361 27.569 26.379 1.00 15.12 C ATOM 1244 OD1 ASP A 181 29.266 27.805 26.850 1.00 14.92 O ATOM 1245 OD2 ASP A 181 31.412 27.680 27.035 1.00 19.65 O ATOM 0 H ASP A 181 30.384 26.481 22.658 1.00 8.86 H new ATOM 0 HA ASP A 181 28.976 28.144 24.112 1.00 9.23 H new ATOM 0 HB2 ASP A 181 29.952 26.154 24.961 1.00 9.18 H new ATOM 0 HB3 ASP A 181 31.372 26.775 24.789 1.00 9.18 H new ATOM 1246 N MET A 182 31.871 29.274 23.350 1.00 7.76 N ATOM 1247 CA MET A 182 32.657 30.554 23.259 1.00 8.41 C ATOM 1248 C MET A 182 31.816 31.612 22.537 1.00 8.36 C ATOM 1249 O MET A 182 31.694 32.762 22.976 1.00 8.78 O ATOM 1250 CB MET A 182 33.949 30.336 22.477 1.00 8.56 C ATOM 1251 CG MET A 182 34.888 29.443 23.241 1.00 9.51 C ATOM 1252 SD MET A 182 36.363 28.947 22.272 1.00 12.19 S ATOM 1253 CE MET A 182 37.193 30.546 22.042 1.00 17.05 C ATOM 0 H MET A 182 32.248 28.586 22.998 1.00 7.76 H new ATOM 0 HA MET A 182 32.875 30.849 24.157 1.00 8.41 H new ATOM 0 HB2 MET A 182 33.748 29.940 21.615 1.00 8.56 H new ATOM 0 HB3 MET A 182 34.376 31.190 22.304 1.00 8.56 H new ATOM 0 HG2 MET A 182 35.176 29.900 24.046 1.00 9.51 H new ATOM 0 HG3 MET A 182 34.411 28.647 23.522 1.00 9.51 H new ATOM 0 HE1 MET A 182 38.144 30.402 21.919 1.00 17.05 H new ATOM 0 HE2 MET A 182 36.830 30.990 21.260 1.00 17.05 H new ATOM 0 HE3 MET A 182 37.049 31.101 22.824 1.00 17.05 H new ATOM 1254 N TYR A 183 31.232 31.198 21.397 1.00 8.08 N ATOM 1255 CA TYR A 183 30.421 32.113 20.599 1.00 7.65 C ATOM 1256 C TYR A 183 29.164 32.623 21.332 1.00 8.64 C ATOM 1257 O TYR A 183 28.743 33.767 21.129 1.00 8.97 O ATOM 1258 CB TYR A 183 30.033 31.423 19.288 1.00 8.30 C ATOM 1259 CG TYR A 183 31.177 31.229 18.303 1.00 7.45 C ATOM 1260 CD1 TYR A 183 32.401 31.953 18.392 1.00 7.51 C ATOM 1261 CD2 TYR A 183 31.001 30.362 17.192 1.00 7.81 C ATOM 1262 CE1 TYR A 183 33.388 31.797 17.413 1.00 7.48 C ATOM 1263 CE2 TYR A 183 31.979 30.193 16.236 1.00 7.44 C ATOM 1264 CZ TYR A 183 33.155 30.938 16.324 1.00 8.87 C ATOM 1265 OH TYR A 183 34.107 30.832 15.335 1.00 8.98 O ATOM 0 H TYR A 183 31.297 30.401 21.079 1.00 8.08 H new ATOM 0 HA TYR A 183 30.961 32.899 20.424 1.00 7.65 H new ATOM 0 HB2 TYR A 183 29.651 30.556 19.495 1.00 8.30 H new ATOM 0 HB3 TYR A 183 29.337 31.944 18.857 1.00 8.30 H new ATOM 0 HD1 TYR A 183 32.545 32.533 19.105 1.00 7.51 H new ATOM 0 HD2 TYR A 183 30.202 29.894 17.107 1.00 7.81 H new ATOM 0 HE1 TYR A 183 34.193 32.258 17.482 1.00 7.48 H new ATOM 0 HE2 TYR A 183 31.856 29.589 15.540 1.00 7.44 H new ATOM 0 HH TYR A 183 33.838 30.300 14.743 1.00 8.98 H new ATOM 1266 N ASN A 184 28.547 31.763 22.130 1.00 8.43 N ATOM 1267 CA ASN A 184 27.371 32.217 22.913 1.00 8.91 C ATOM 1268 C ASN A 184 27.754 33.400 23.807 1.00 9.22 C ATOM 1269 O ASN A 184 27.008 34.392 23.901 1.00 9.95 O ATOM 1270 CB ASN A 184 26.779 31.063 23.732 1.00 9.52 C ATOM 1271 CG ASN A 184 26.175 29.968 22.840 1.00 10.17 C ATOM 1272 OD1 ASN A 184 25.737 30.315 21.673 1.00 16.83 O flip ATOM 1273 ND2 ASN A 184 26.104 28.781 23.280 1.00 10.28 N flip ATOM 0 H ASN A 184 28.771 30.940 22.240 1.00 8.43 H new ATOM 0 HA ASN A 184 26.685 32.516 22.296 1.00 8.91 H new ATOM 0 HB2 ASN A 184 27.471 30.677 24.291 1.00 9.52 H new ATOM 0 HB3 ASN A 184 26.094 31.408 24.326 1.00 9.52 H new ATOM 0 HD21 ASN A 184 26.408 28.594 24.062 1.00 10.28 H new ATOM 0 HD22 ASN A 184 25.752 28.163 22.796 1.00 10.28 H new ATOM 1274 N GLY A 185 28.948 33.332 24.414 1.00 8.78 N ATOM 1275 CA GLY A 185 29.377 34.454 25.288 1.00 8.62 C ATOM 1276 C GLY A 185 29.705 35.700 24.490 1.00 8.07 C ATOM 1277 O GLY A 185 29.335 36.843 24.839 1.00 9.06 O ATOM 0 H GLY A 185 29.505 32.681 24.343 1.00 8.78 H new ATOM 0 HA2 GLY A 185 28.673 34.654 25.925 1.00 8.62 H new ATOM 0 HA3 GLY A 185 30.155 34.185 25.801 1.00 8.62 H new ATOM 1278 N TYR A 186 30.369 35.501 23.339 1.00 7.74 N ATOM 1279 CA TYR A 186 30.736 36.675 22.504 1.00 7.19 C ATOM 1280 C TYR A 186 29.487 37.339 21.949 1.00 7.85 C ATOM 1281 O TYR A 186 29.415 38.591 21.903 1.00 8.32 O ATOM 1282 CB TYR A 186 31.623 36.250 21.330 1.00 8.28 C ATOM 1283 CG TYR A 186 32.938 35.582 21.741 1.00 6.65 C ATOM 1284 CD1 TYR A 186 33.533 35.791 23.001 1.00 7.79 C ATOM 1285 CD2 TYR A 186 33.553 34.687 20.861 1.00 7.74 C ATOM 1286 CE1 TYR A 186 34.775 35.200 23.335 1.00 9.28 C ATOM 1287 CE2 TYR A 186 34.754 34.061 21.177 1.00 7.82 C ATOM 1288 CZ TYR A 186 35.347 34.295 22.423 1.00 9.71 C ATOM 1289 OH TYR A 186 36.570 33.672 22.710 1.00 10.31 O ATOM 0 H TYR A 186 30.609 34.735 23.030 1.00 7.74 H new ATOM 0 HA TYR A 186 31.220 37.298 23.068 1.00 7.19 H new ATOM 0 HB2 TYR A 186 31.124 35.638 20.767 1.00 8.28 H new ATOM 0 HB3 TYR A 186 31.824 37.031 20.791 1.00 8.28 H new ATOM 0 HD1 TYR A 186 33.101 36.328 23.626 1.00 7.79 H new ATOM 0 HD2 TYR A 186 33.149 34.505 20.043 1.00 7.74 H new ATOM 0 HE1 TYR A 186 35.201 35.405 24.136 1.00 9.28 H new ATOM 0 HE2 TYR A 186 35.160 33.491 20.565 1.00 7.82 H new ATOM 0 HH TYR A 186 36.909 34.021 23.395 1.00 10.31 H new ATOM 1290 N ALA A 187 28.496 36.543 21.533 1.00 8.38 N ATOM 1291 CA ALA A 187 27.259 37.137 21.011 1.00 7.84 C ATOM 1292 C ALA A 187 26.575 38.010 22.077 1.00 7.93 C ATOM 1293 O ALA A 187 26.096 39.107 21.762 1.00 8.76 O ATOM 1294 CB ALA A 187 26.313 36.013 20.594 1.00 8.93 C ATOM 0 H ALA A 187 28.516 35.683 21.543 1.00 8.38 H new ATOM 0 HA ALA A 187 27.476 37.699 20.251 1.00 7.84 H new ATOM 0 HB1 ALA A 187 25.491 36.394 20.247 1.00 8.93 H new ATOM 0 HB2 ALA A 187 26.734 35.473 19.907 1.00 8.93 H new ATOM 0 HB3 ALA A 187 26.112 35.457 21.363 1.00 8.93 H new ATOM 1295 N ALA A 188 26.543 37.557 23.339 1.00 7.24 N ATOM 1296 CA ALA A 188 25.875 38.362 24.377 1.00 7.60 C ATOM 1297 C ALA A 188 26.558 39.733 24.507 1.00 7.52 C ATOM 1298 O ALA A 188 25.894 40.763 24.639 1.00 9.72 O ATOM 1299 CB ALA A 188 25.919 37.579 25.734 1.00 9.11 C ATOM 0 H ALA A 188 26.887 36.816 23.608 1.00 7.24 H new ATOM 0 HA ALA A 188 24.949 38.516 24.131 1.00 7.60 H new ATOM 0 HB1 ALA A 188 25.481 38.102 26.424 1.00 9.11 H new ATOM 0 HB2 ALA A 188 25.461 36.730 25.633 1.00 9.11 H new ATOM 0 HB3 ALA A 188 26.842 37.420 25.986 1.00 9.11 H new ATOM 1300 N THR A 189 27.900 39.745 24.456 1.00 6.64 N ATOM 1301 CA THR A 189 28.649 41.006 24.535 1.00 7.35 C ATOM 1302 C THR A 189 28.368 41.943 23.349 1.00 7.38 C ATOM 1303 O THR A 189 28.113 43.133 23.503 1.00 8.35 O ATOM 1304 CB THR A 189 30.130 40.675 24.602 1.00 8.40 C ATOM 1305 OG1 THR A 189 30.346 39.996 25.872 1.00 9.43 O ATOM 1306 CG2 THR A 189 31.002 41.940 24.542 1.00 12.23 C ATOM 0 H THR A 189 28.388 39.041 24.377 1.00 6.64 H new ATOM 0 HA THR A 189 28.362 41.481 25.330 1.00 7.35 H new ATOM 0 HB THR A 189 30.379 40.123 23.844 1.00 8.40 H new ATOM 0 HG1 THR A 189 30.991 39.463 25.799 1.00 9.43 H new ATOM 0 HG21 THR A 189 31.938 41.690 24.587 1.00 12.23 H new ATOM 0 HG22 THR A 189 30.833 42.411 23.711 1.00 12.23 H new ATOM 0 HG23 THR A 189 30.786 42.518 25.290 1.00 12.23 H new ATOM 1307 N ILE A 190 28.414 41.372 22.132 1.00 7.03 N ATOM 1308 CA ILE A 190 28.164 42.164 20.933 1.00 7.05 C ATOM 1309 C ILE A 190 26.734 42.711 20.923 1.00 6.45 C ATOM 1310 O ILE A 190 26.507 43.896 20.631 1.00 7.49 O ATOM 1311 CB ILE A 190 28.395 41.291 19.642 1.00 7.68 C ATOM 1312 CG1 ILE A 190 29.904 40.958 19.535 1.00 7.46 C ATOM 1313 CG2 ILE A 190 27.824 42.023 18.407 1.00 8.13 C ATOM 1314 CD1 ILE A 190 30.749 42.159 19.192 1.00 8.99 C ATOM 0 H ILE A 190 28.586 40.542 21.989 1.00 7.03 H new ATOM 0 HA ILE A 190 28.785 42.909 20.937 1.00 7.05 H new ATOM 0 HB ILE A 190 27.920 40.447 19.693 1.00 7.68 H new ATOM 0 HG12 ILE A 190 30.208 40.584 20.377 1.00 7.46 H new ATOM 0 HG13 ILE A 190 30.032 40.275 18.859 1.00 7.46 H new ATOM 0 HG21 ILE A 190 27.968 41.482 17.615 1.00 8.13 H new ATOM 0 HG22 ILE A 190 26.873 42.170 18.529 1.00 8.13 H new ATOM 0 HG23 ILE A 190 28.272 42.877 18.301 1.00 8.13 H new ATOM 0 HD11 ILE A 190 31.681 41.895 19.138 1.00 8.99 H new ATOM 0 HD12 ILE A 190 30.466 42.521 18.338 1.00 8.99 H new ATOM 0 HD13 ILE A 190 30.645 42.835 19.879 1.00 8.99 H new ATOM 1315 N ASP A 191 25.767 41.868 21.313 1.00 7.00 N ATOM 1316 CA ASP A 191 24.353 42.312 21.340 1.00 7.22 C ATOM 1317 C ASP A 191 24.152 43.456 22.333 1.00 8.04 C ATOM 1318 O ASP A 191 23.319 44.368 22.116 1.00 8.47 O ATOM 1319 CB ASP A 191 23.439 41.128 21.698 1.00 8.09 C ATOM 1320 CG ASP A 191 23.417 40.022 20.636 1.00 7.85 C ATOM 1321 OD1 ASP A 191 23.888 40.234 19.492 1.00 8.74 O ATOM 1322 OD2 ASP A 191 22.851 38.938 20.965 1.00 9.91 O ATOM 0 H ASP A 191 25.898 41.055 21.561 1.00 7.00 H new ATOM 0 HA ASP A 191 24.120 42.640 20.457 1.00 7.22 H new ATOM 0 HB2 ASP A 191 23.730 40.749 22.542 1.00 8.09 H new ATOM 0 HB3 ASP A 191 22.536 41.456 21.831 1.00 8.09 H new ATOM 1323 N LYS A 192 24.887 43.406 23.458 1.00 7.40 N ATOM 1324 CA LYS A 192 24.783 44.466 24.480 1.00 8.78 C ATOM 1325 C LYS A 192 25.320 45.800 23.931 1.00 7.87 C ATOM 1326 O LYS A 192 24.680 46.867 24.030 1.00 8.74 O ATOM 1327 CB LYS A 192 25.511 44.038 25.778 1.00 9.03 C ATOM 1328 CG LYS A 192 25.356 45.144 26.848 1.00 12.04 C ATOM 1329 CD LYS A 192 25.776 44.648 28.261 1.00 16.79 C ATOM 1330 CE LYS A 192 27.241 44.655 28.535 1.00 27.39 C ATOM 1331 NZ LYS A 192 27.337 44.166 29.987 1.00 26.15 N ATOM 0 H LYS A 192 25.443 42.778 23.646 1.00 7.40 H new ATOM 0 HA LYS A 192 23.848 44.600 24.702 1.00 8.78 H new ATOM 0 HB2 LYS A 192 25.142 43.203 26.107 1.00 9.03 H new ATOM 0 HB3 LYS A 192 26.451 43.881 25.596 1.00 9.03 H new ATOM 0 HG2 LYS A 192 25.897 45.910 26.601 1.00 12.04 H new ATOM 0 HG3 LYS A 192 24.434 45.443 26.872 1.00 12.04 H new ATOM 0 HD2 LYS A 192 25.336 45.202 28.925 1.00 16.79 H new ATOM 0 HD3 LYS A 192 25.445 43.744 28.381 1.00 16.79 H new ATOM 0 HE2 LYS A 192 27.721 44.069 27.928 1.00 27.39 H new ATOM 0 HE3 LYS A 192 27.619 45.542 28.431 1.00 27.39 H new ATOM 0 HZ1 LYS A 192 28.191 44.140 30.236 1.00 26.15 H new ATOM 0 HZ2 LYS A 192 26.891 44.723 30.518 1.00 26.15 H new ATOM 0 HZ3 LYS A 192 26.985 43.351 30.050 1.00 26.15 H new ATOM 1332 N ILE A 193 26.481 45.738 23.290 1.00 7.22 N ATOM 1333 CA ILE A 193 27.076 46.942 22.707 1.00 7.76 C ATOM 1334 C ILE A 193 26.154 47.505 21.600 1.00 6.91 C ATOM 1335 O ILE A 193 25.976 48.727 21.506 1.00 7.46 O ATOM 1336 CB ILE A 193 28.488 46.608 22.135 1.00 7.53 C ATOM 1337 CG1 ILE A 193 29.457 46.191 23.277 1.00 9.80 C ATOM 1338 CG2 ILE A 193 29.063 47.822 21.355 1.00 8.95 C ATOM 1339 CD1 ILE A 193 30.745 45.476 22.759 1.00 11.09 C ATOM 0 H ILE A 193 26.939 45.018 23.180 1.00 7.22 H new ATOM 0 HA ILE A 193 27.174 47.618 23.395 1.00 7.76 H new ATOM 0 HB ILE A 193 28.398 45.863 21.521 1.00 7.53 H new ATOM 0 HG12 ILE A 193 29.712 46.980 23.781 1.00 9.80 H new ATOM 0 HG13 ILE A 193 28.991 45.601 23.890 1.00 9.80 H new ATOM 0 HG21 ILE A 193 29.940 47.597 21.007 1.00 8.95 H new ATOM 0 HG22 ILE A 193 28.471 48.044 20.620 1.00 8.95 H new ATOM 0 HG23 ILE A 193 29.138 48.584 21.951 1.00 8.95 H new ATOM 0 HD11 ILE A 193 31.309 45.240 23.512 1.00 11.09 H new ATOM 0 HD12 ILE A 193 30.497 44.672 22.277 1.00 11.09 H new ATOM 0 HD13 ILE A 193 31.230 46.071 22.166 1.00 11.09 H new ATOM 1340 N ARG A 194 25.619 46.609 20.762 1.00 7.46 N ATOM 1341 CA ARG A 194 24.634 47.029 19.735 1.00 7.54 C ATOM 1342 C ARG A 194 23.475 47.812 20.339 1.00 7.58 C ATOM 1343 O ARG A 194 23.114 48.895 19.831 1.00 8.41 O ATOM 1344 CB ARG A 194 24.119 45.760 18.988 1.00 7.69 C ATOM 1345 CG ARG A 194 22.975 46.124 17.990 1.00 8.63 C ATOM 1346 CD ARG A 194 22.468 44.806 17.391 1.00 9.93 C ATOM 1347 NE ARG A 194 21.311 45.035 16.475 1.00 10.79 N ATOM 1348 CZ ARG A 194 20.036 45.073 16.893 1.00 11.96 C ATOM 1349 NH1 ARG A 194 19.717 44.917 18.188 1.00 11.52 N ATOM 1350 NH2 ARG A 194 19.064 45.271 15.985 1.00 11.87 N ATOM 0 H ARG A 194 25.804 45.769 20.765 1.00 7.46 H new ATOM 0 HA ARG A 194 25.072 47.627 19.109 1.00 7.54 H new ATOM 0 HB2 ARG A 194 24.852 45.344 18.508 1.00 7.69 H new ATOM 0 HB3 ARG A 194 23.797 45.110 19.632 1.00 7.69 H new ATOM 0 HG2 ARG A 194 22.258 46.592 18.446 1.00 8.63 H new ATOM 0 HG3 ARG A 194 23.302 46.714 17.293 1.00 8.63 H new ATOM 0 HD2 ARG A 194 23.187 44.372 16.905 1.00 9.93 H new ATOM 0 HD3 ARG A 194 22.204 44.205 18.105 1.00 9.93 H new ATOM 0 HE ARG A 194 21.470 45.148 15.637 1.00 10.79 H new ATOM 0 HH11 ARG A 194 20.336 44.789 18.771 1.00 11.52 H new ATOM 0 HH12 ARG A 194 18.894 44.945 18.434 1.00 11.52 H new ATOM 0 HH21 ARG A 194 19.265 45.370 15.155 1.00 11.87 H new ATOM 0 HH22 ARG A 194 18.241 45.298 16.235 1.00 11.87 H new ATOM 1351 N TRP A 195 22.906 47.317 21.447 1.00 6.99 N ATOM 1352 CA TRP A 195 21.783 48.048 22.073 1.00 7.60 C ATOM 1353 C TRP A 195 22.218 49.462 22.469 1.00 7.72 C ATOM 1354 O TRP A 195 21.502 50.446 22.229 1.00 8.27 O ATOM 1355 CB TRP A 195 21.310 47.247 23.311 1.00 7.93 C ATOM 1356 CG TRP A 195 20.803 48.106 24.469 1.00 8.15 C ATOM 1357 CD1 TRP A 195 19.853 49.152 24.415 1.00 7.95 C ATOM 1358 CD2 TRP A 195 21.259 48.059 25.816 1.00 7.81 C ATOM 1359 NE1 TRP A 195 19.728 49.741 25.677 1.00 9.15 N ATOM 1360 CE2 TRP A 195 20.586 49.091 26.545 1.00 8.48 C ATOM 1361 CE3 TRP A 195 22.186 47.243 26.487 1.00 8.65 C ATOM 1362 CZ2 TRP A 195 20.793 49.283 27.952 1.00 8.01 C ATOM 1363 CZ3 TRP A 195 22.416 47.448 27.858 1.00 8.72 C ATOM 1364 CH2 TRP A 195 21.710 48.454 28.578 1.00 9.80 C ATOM 0 H TRP A 195 23.140 46.590 21.841 1.00 6.99 H new ATOM 0 HA TRP A 195 21.051 48.136 21.443 1.00 7.60 H new ATOM 0 HB2 TRP A 195 20.603 46.642 23.039 1.00 7.93 H new ATOM 0 HB3 TRP A 195 22.045 46.700 23.628 1.00 7.93 H new ATOM 0 HD1 TRP A 195 19.383 49.409 23.655 1.00 7.95 H new ATOM 0 HE1 TRP A 195 19.207 50.395 25.879 1.00 9.15 H new ATOM 0 HE3 TRP A 195 22.642 46.575 26.029 1.00 8.65 H new ATOM 0 HZ2 TRP A 195 20.331 49.937 28.424 1.00 8.01 H new ATOM 0 HZ3 TRP A 195 23.039 46.919 28.302 1.00 8.72 H new ATOM 0 HH2 TRP A 195 21.868 48.557 29.489 1.00 9.80 H new ATOM 1365 N MET A 196 23.380 49.568 23.136 1.00 7.56 N ATOM 1366 CA MET A 196 23.794 50.875 23.692 1.00 7.99 C ATOM 1367 C MET A 196 23.985 51.874 22.541 1.00 8.05 C ATOM 1368 O MET A 196 23.530 53.030 22.630 1.00 8.58 O ATOM 1369 CB MET A 196 25.073 50.710 24.546 1.00 8.64 C ATOM 1370 CG MET A 196 24.789 49.883 25.771 1.00 6.97 C ATOM 1371 SD MET A 196 26.343 49.864 26.729 1.00 10.70 S ATOM 1372 CE MET A 196 25.760 49.086 28.263 1.00 10.94 C ATOM 0 H MET A 196 23.928 48.920 23.275 1.00 7.56 H new ATOM 0 HA MET A 196 23.105 51.223 24.280 1.00 7.99 H new ATOM 0 HB2 MET A 196 25.768 50.287 24.018 1.00 8.64 H new ATOM 0 HB3 MET A 196 25.407 51.582 24.809 1.00 8.64 H new ATOM 0 HG2 MET A 196 24.065 50.267 26.290 1.00 6.97 H new ATOM 0 HG3 MET A 196 24.518 48.984 25.529 1.00 6.97 H new ATOM 0 HE1 MET A 196 26.498 49.007 28.887 1.00 10.94 H new ATOM 0 HE2 MET A 196 25.061 49.631 28.657 1.00 10.94 H new ATOM 0 HE3 MET A 196 25.409 48.204 28.065 1.00 10.94 H new ATOM 1373 N LEU A 197 24.640 51.430 21.468 1.00 7.74 N ATOM 1374 CA LEU A 197 24.877 52.351 20.329 1.00 8.07 C ATOM 1375 C LEU A 197 23.558 52.660 19.603 1.00 9.00 C ATOM 1376 O LEU A 197 23.335 53.831 19.250 1.00 9.48 O ATOM 1377 CB LEU A 197 25.889 51.739 19.377 1.00 7.77 C ATOM 1378 CG LEU A 197 27.327 51.921 19.929 1.00 10.39 C ATOM 1379 CD1 LEU A 197 28.263 50.967 19.192 1.00 12.12 C ATOM 1380 CD2 LEU A 197 27.854 53.366 19.934 1.00 11.83 C ATOM 0 H LEU A 197 24.948 50.633 21.371 1.00 7.74 H new ATOM 0 HA LEU A 197 25.234 53.187 20.666 1.00 8.07 H new ATOM 0 HB2 LEU A 197 25.699 50.795 19.256 1.00 7.77 H new ATOM 0 HB3 LEU A 197 25.816 52.157 18.505 1.00 7.77 H new ATOM 0 HG LEU A 197 27.295 51.698 20.873 1.00 10.39 H new ATOM 0 HD11 LEU A 197 29.166 51.073 19.530 1.00 12.12 H new ATOM 0 HD12 LEU A 197 27.971 50.053 19.333 1.00 12.12 H new ATOM 0 HD13 LEU A 197 28.248 51.168 18.243 1.00 12.12 H new ATOM 0 HD21 LEU A 197 28.755 53.381 20.294 1.00 11.83 H new ATOM 0 HD22 LEU A 197 27.863 53.711 19.027 1.00 11.83 H new ATOM 0 HD23 LEU A 197 27.277 53.919 20.484 1.00 11.83 H new ATOM 1381 N GLN A 198 22.692 51.662 19.443 1.00 9.01 N ATOM 1382 CA GLN A 198 21.398 51.949 18.778 1.00 9.46 C ATOM 1383 C GLN A 198 20.578 52.963 19.620 1.00 9.84 C ATOM 1384 O GLN A 198 19.884 53.870 19.080 1.00 9.77 O ATOM 1385 CB GLN A 198 20.658 50.648 18.579 1.00 9.13 C ATOM 1386 CG GLN A 198 19.388 50.844 17.741 1.00 11.13 C ATOM 1387 CD GLN A 198 18.432 49.692 17.924 1.00 11.77 C ATOM 1388 OE1 GLN A 198 17.741 49.553 18.988 1.00 11.93 O ATOM 1389 NE2 GLN A 198 18.332 48.868 16.860 1.00 15.06 N ATOM 0 H GLN A 198 22.814 50.848 19.694 1.00 9.01 H new ATOM 0 HA GLN A 198 21.545 52.355 17.910 1.00 9.46 H new ATOM 0 HB2 GLN A 198 21.240 50.007 18.141 1.00 9.13 H new ATOM 0 HB3 GLN A 198 20.423 50.273 19.442 1.00 9.13 H new ATOM 0 HG2 GLN A 198 18.953 51.672 17.997 1.00 11.13 H new ATOM 0 HG3 GLN A 198 19.625 50.926 16.804 1.00 11.13 H new ATOM 0 HE21 GLN A 198 18.820 49.003 16.165 1.00 15.06 H new ATOM 0 HE22 GLN A 198 17.781 48.208 16.877 1.00 15.06 H new ATOM 1390 N ALA A 199 20.639 52.820 20.948 1.00 8.28 N ATOM 1391 CA ALA A 199 19.912 53.737 21.819 1.00 8.70 C ATOM 1392 C ALA A 199 20.383 55.178 21.632 1.00 9.46 C ATOM 1393 O ALA A 199 19.582 56.120 21.589 1.00 9.81 O ATOM 1394 CB ALA A 199 20.066 53.306 23.311 1.00 8.89 C ATOM 0 H ALA A 199 21.088 52.209 21.355 1.00 8.28 H new ATOM 0 HA ALA A 199 18.974 53.697 21.574 1.00 8.70 H new ATOM 0 HB1 ALA A 199 19.578 53.923 23.878 1.00 8.89 H new ATOM 0 HB2 ALA A 199 19.711 52.411 23.428 1.00 8.89 H new ATOM 0 HB3 ALA A 199 21.005 53.315 23.556 1.00 8.89 H new ATOM 1395 N ILE A 200 21.713 55.364 21.545 1.00 8.89 N ATOM 1396 CA ILE A 200 22.270 56.719 21.483 1.00 10.37 C ATOM 1397 C ILE A 200 21.772 57.443 20.220 1.00 11.64 C ATOM 1398 O ILE A 200 21.495 58.649 20.299 1.00 12.34 O ATOM 1399 CB ILE A 200 23.809 56.633 21.456 1.00 11.57 C ATOM 1400 CG1 ILE A 200 24.275 56.234 22.832 1.00 10.91 C ATOM 1401 CG2 ILE A 200 24.464 57.993 20.983 1.00 12.22 C ATOM 1402 CD1 ILE A 200 25.778 55.729 22.804 1.00 12.21 C ATOM 0 H ILE A 200 22.294 54.731 21.521 1.00 8.89 H new ATOM 0 HA ILE A 200 21.981 57.218 22.263 1.00 10.37 H new ATOM 0 HB ILE A 200 24.090 55.967 20.809 1.00 11.57 H new ATOM 0 HG12 ILE A 200 24.196 56.990 23.435 1.00 10.91 H new ATOM 0 HG13 ILE A 200 23.702 55.533 23.180 1.00 10.91 H new ATOM 0 HG21 ILE A 200 25.430 57.903 20.978 1.00 12.22 H new ATOM 0 HG22 ILE A 200 24.155 58.207 20.089 1.00 12.22 H new ATOM 0 HG23 ILE A 200 24.209 58.704 21.592 1.00 12.22 H new ATOM 0 HD11 ILE A 200 26.052 55.479 23.700 1.00 12.21 H new ATOM 0 HD12 ILE A 200 25.850 54.960 22.218 1.00 12.21 H new ATOM 0 HD13 ILE A 200 26.352 56.439 22.477 1.00 12.21 H new ATOM 1403 N MET A 201 21.611 56.682 19.132 1.00 11.17 N ATOM 1404 CA MET A 201 21.261 57.320 17.829 1.00 12.44 C ATOM 1405 C MET A 201 19.746 57.343 17.596 1.00 12.65 C ATOM 1406 O MET A 201 19.301 57.841 16.525 1.00 12.55 O ATOM 1407 CB MET A 201 21.989 56.672 16.633 1.00 12.15 C ATOM 1408 CG MET A 201 21.585 55.195 16.428 1.00 13.17 C ATOM 1409 SD MET A 201 22.169 54.506 14.840 1.00 14.62 S ATOM 1410 CE MET A 201 21.133 55.448 13.676 1.00 17.40 C ATOM 0 H MET A 201 21.694 55.826 19.113 1.00 11.17 H new ATOM 0 HA MET A 201 21.572 58.237 17.889 1.00 12.44 H new ATOM 0 HB2 MET A 201 21.791 57.174 15.827 1.00 12.15 H new ATOM 0 HB3 MET A 201 22.947 56.726 16.773 1.00 12.15 H new ATOM 0 HG2 MET A 201 21.943 54.663 17.156 1.00 13.17 H new ATOM 0 HG3 MET A 201 20.619 55.121 16.471 1.00 13.17 H new ATOM 0 HE1 MET A 201 21.110 54.991 12.821 1.00 17.40 H new ATOM 0 HE2 MET A 201 20.232 55.519 14.029 1.00 17.40 H new ATOM 0 HE3 MET A 201 21.504 56.336 13.558 1.00 17.40 H new ATOM 1411 N ASP A 202 18.950 56.838 18.552 1.00 11.96 N ATOM 1412 CA ASP A 202 17.471 56.827 18.369 1.00 11.29 C ATOM 1413 C ASP A 202 16.952 58.193 18.884 1.00 11.25 C ATOM 1414 O ASP A 202 16.341 58.305 19.962 1.00 11.94 O ATOM 1415 CB ASP A 202 16.850 55.625 19.105 1.00 11.73 C ATOM 1416 CG ASP A 202 15.470 55.221 18.560 1.00 13.37 C ATOM 1417 OD1 ASP A 202 14.779 56.107 17.970 1.00 14.75 O ATOM 1418 OD2 ASP A 202 15.083 54.043 18.776 1.00 13.42 O ATOM 0 H ASP A 202 19.228 56.505 19.295 1.00 11.96 H new ATOM 0 HA ASP A 202 17.218 56.719 17.439 1.00 11.29 H new ATOM 0 HB2 ASP A 202 17.451 54.867 19.037 1.00 11.73 H new ATOM 0 HB3 ASP A 202 16.768 55.839 20.048 1.00 11.73 H new ATOM 1419 N ASP A 203 17.255 59.249 18.117 1.00 12.49 N ATOM 1420 CA ASP A 203 17.059 60.599 18.571 1.00 13.27 C ATOM 1421 C ASP A 203 17.197 61.515 17.353 1.00 15.73 C ATOM 1422 O ASP A 203 18.278 61.617 16.765 1.00 15.97 O ATOM 1423 CB ASP A 203 18.158 60.972 19.582 1.00 14.19 C ATOM 1424 CG ASP A 203 17.813 62.213 20.363 1.00 15.35 C ATOM 1425 OD1 ASP A 203 17.176 63.133 19.756 1.00 15.12 O ATOM 1426 OD2 ASP A 203 18.142 62.305 21.588 1.00 11.93 O ATOM 0 H ASP A 203 17.579 59.186 17.323 1.00 12.49 H new ATOM 0 HA ASP A 203 16.190 60.690 18.991 1.00 13.27 H new ATOM 0 HB2 ASP A 203 18.296 60.233 20.195 1.00 14.19 H new ATOM 0 HB3 ASP A 203 18.995 61.110 19.112 1.00 14.19 H new ATOM 1427 N GLU A 204 16.113 62.189 17.030 1.00 18.27 N ATOM 1428 CA GLU A 204 16.115 63.119 15.885 1.00 22.36 C ATOM 1429 C GLU A 204 17.021 64.329 16.094 1.00 23.53 C ATOM 1430 O GLU A 204 17.453 64.951 15.101 1.00 25.06 O ATOM 1431 CB GLU A 204 14.673 63.529 15.564 1.00 22.13 C ATOM 1432 CG GLU A 204 13.800 62.309 15.216 1.00 25.46 C ATOM 1433 CD GLU A 204 12.369 62.647 14.792 0.50 25.32 C ATOM 1434 OE1 GLU A 204 11.954 63.826 14.878 0.50 28.05 O ATOM 1435 OE2 GLU A 204 11.659 61.710 14.372 0.50 28.20 O ATOM 0 H GLU A 204 15.364 62.133 17.448 1.00 18.27 H new ATOM 0 HA GLU A 204 16.492 62.653 15.122 1.00 22.36 H new ATOM 0 HB2 GLU A 204 14.291 63.994 16.325 1.00 22.13 H new ATOM 0 HB3 GLU A 204 14.671 64.152 14.820 1.00 22.13 H new ATOM 0 HG2 GLU A 204 14.228 61.814 14.500 1.00 25.46 H new ATOM 0 HG3 GLU A 204 13.766 61.721 15.987 1.00 25.46 H new ATOM 1436 N ARG A 205 17.343 64.652 17.351 1.00 22.01 N ATOM 1437 CA ARG A 205 18.205 65.811 17.643 1.00 23.49 C ATOM 1438 C ARG A 205 19.676 65.457 17.489 1.00 24.10 C ATOM 1439 O ARG A 205 20.547 66.343 17.547 1.00 25.20 O ATOM 1440 CB ARG A 205 17.966 66.353 19.056 1.00 22.31 C ATOM 1441 CG ARG A 205 16.535 66.847 19.371 1.00 24.97 C ATOM 1442 CD ARG A 205 16.327 68.327 19.086 1.00 28.56 C ATOM 1443 NE ARG A 205 17.267 69.179 19.813 1.00 30.45 N ATOM 1444 CZ ARG A 205 17.012 69.768 20.990 1.00 29.93 C ATOM 1445 NH1 ARG A 205 15.817 69.598 21.593 1.00 31.67 N ATOM 1446 NH2 ARG A 205 17.962 70.523 21.568 1.00 19.82 N ATOM 0 H ARG A 205 17.077 64.219 18.045 1.00 22.01 H new ATOM 0 HA ARG A 205 17.971 66.498 17.000 1.00 23.49 H new ATOM 0 HB2 ARG A 205 18.194 65.656 19.691 1.00 22.31 H new ATOM 0 HB3 ARG A 205 18.581 67.087 19.208 1.00 22.31 H new ATOM 0 HG2 ARG A 205 15.900 66.332 18.848 1.00 24.97 H new ATOM 0 HG3 ARG A 205 16.339 66.674 20.305 1.00 24.97 H new ATOM 0 HD2 ARG A 205 16.422 68.486 18.134 1.00 28.56 H new ATOM 0 HD3 ARG A 205 15.420 68.574 19.326 1.00 28.56 H new ATOM 0 HE ARG A 205 18.040 69.312 19.460 1.00 30.45 H new ATOM 0 HH11 ARG A 205 15.214 69.110 21.222 1.00 31.67 H new ATOM 0 HH12 ARG A 205 15.658 69.978 22.348 1.00 31.67 H new ATOM 0 HH21 ARG A 205 18.724 70.624 21.183 1.00 19.82 H new ATOM 0 HH22 ARG A 205 17.808 70.905 22.323 1.00 19.82 H new ATOM 1447 N LEU A 206 19.992 64.166 17.349 1.00 25.61 N ATOM 1448 CA LEU A 206 21.346 63.800 16.967 1.00 27.56 C ATOM 1449 C LEU A 206 21.398 64.036 15.440 1.00 30.63 C ATOM 1450 O LEU A 206 20.690 63.356 14.652 1.00 30.84 O ATOM 1451 CB LEU A 206 21.695 62.366 17.380 1.00 26.23 C ATOM 1452 CG LEU A 206 23.079 61.856 16.905 1.00 28.17 C ATOM 1453 CD1 LEU A 206 24.222 62.769 17.382 1.00 27.20 C ATOM 1454 CD2 LEU A 206 23.365 60.348 17.237 1.00 25.96 C ATOM 0 H LEU A 206 19.451 63.509 17.468 1.00 25.61 H new ATOM 0 HA LEU A 206 22.017 64.332 17.423 1.00 27.56 H new ATOM 0 HB2 LEU A 206 21.660 62.307 18.348 1.00 26.23 H new ATOM 0 HB3 LEU A 206 21.012 61.771 17.034 1.00 26.23 H new ATOM 0 HG LEU A 206 23.042 61.900 15.937 1.00 28.17 H new ATOM 0 HD11 LEU A 206 25.070 62.419 17.066 1.00 27.20 H new ATOM 0 HD12 LEU A 206 24.091 63.663 17.029 1.00 27.20 H new ATOM 0 HD13 LEU A 206 24.227 62.802 18.351 1.00 27.20 H new ATOM 0 HD21 LEU A 206 24.245 60.106 16.910 1.00 25.96 H new ATOM 0 HD22 LEU A 206 23.330 60.216 18.197 1.00 25.96 H new ATOM 0 HD23 LEU A 206 22.697 59.790 16.809 1.00 25.96 H new ATOM 1455 N ASP A 207 22.209 65.020 15.040 1.00 33.34 N ATOM 1456 CA ASP A 207 22.162 65.555 13.675 1.00 35.51 C ATOM 1457 C ASP A 207 22.605 64.550 12.589 1.00 36.86 C ATOM 1458 O ASP A 207 23.354 63.618 12.892 1.00 37.26 O ATOM 1459 CB ASP A 207 22.811 66.970 13.510 1.00 35.42 C ATOM 1460 CG ASP A 207 23.897 67.340 14.580 1.00 35.49 C ATOM 1461 OD1 ASP A 207 23.951 66.812 15.732 1.00 24.64 O ATOM 1462 OD2 ASP A 207 24.707 68.253 14.245 1.00 35.23 O ATOM 1463 OXT ASP A 207 22.176 64.600 11.412 1.00 37.99 O ATOM 0 H ASP A 207 22.796 65.393 15.546 1.00 33.34 H new ATOM 0 HA ASP A 207 21.216 65.699 13.518 1.00 35.51 H new ATOM 0 HB2 ASP A 207 23.215 67.023 12.630 1.00 35.42 H new ATOM 0 HB3 ASP A 207 22.108 67.637 13.541 1.00 35.42 H new TER 1464 ASP A 207 HETATM 1465 FE FE A1208 42.666 56.827 23.498 1.00 7.69 FE ANISOU 1465 FE FE A1208 981 1001 939 5 72 163 FE HETATM 1466 FE FE A1209 27.017 63.629 27.013 0.28 19.43 FE ANISOU 1466 FE FE A1209 2474 2458 2447 -489 517 -483 FE HETATM 1467 FE FE A1210 28.647 28.648 28.646 0.28 11.45 FE ANISOU 1467 FE FE A1210 1449 1450 1450 -63 -55 -59 FE HETATM 1468 ZN ZN A1211 42.378 19.547 7.601 1.00 14.52 ZN ANISOU 1468 ZN ZN A1211 2242 2052 1220 -175 1 -498 ZN HETATM 1469 S SO4 A1212 21.392 69.263 21.479 0.33 12.62 S HETATM 1470 O1 SO4 A1212 21.459 68.045 20.680 0.33 12.33 O HETATM 1471 O2 SO4 A1212 22.704 69.888 21.579 0.33 13.24 O HETATM 1472 O3 SO4 A1212 20.842 68.977 22.797 0.33 13.79 O HETATM 1473 O4 SO4 A1212 20.496 70.226 20.824 0.33 13.96 O HETATM 1474 C1 AGOL A1213 41.307 57.311 26.999 0.50 15.87 C HETATM 1475 O1 AGOL A1213 39.973 57.784 27.047 0.50 19.81 O HETATM 1476 C2 AGOL A1213 42.082 58.390 26.276 0.50 12.89 C HETATM 1477 O2 AGOL A1213 41.847 58.374 24.871 0.50 6.40 O HETATM 1478 C3 AGOL A1213 43.569 58.315 26.551 0.50 12.93 C HETATM 1479 O3 AGOL A1213 43.956 59.620 26.232 0.50 9.73 O HETATM 1480 C1 BGOL A1213 43.522 58.576 28.416 0.50 17.49 C HETATM 1481 O1 BGOL A1213 43.813 59.956 28.563 0.50 23.24 O HETATM 1482 C2 BGOL A1213 43.366 58.165 26.949 0.50 16.46 C HETATM 1483 O2 BGOL A1213 44.209 58.944 26.127 0.50 16.28 O HETATM 1484 C3 BGOL A1213 41.896 58.281 26.519 0.50 12.09 C HETATM 1485 O3 BGOL A1213 41.683 57.948 25.140 0.50 8.54 O HETATM 0 HO3AGOL A1213 43.454 59.922 25.630 0.50 8.54 H new HETATM 0 HO2BGOL A1213 44.305 59.706 26.466 0.50 16.28 H new HETATM 0 HO1AGOL A1213 39.449 57.168 26.820 0.50 23.24 H new HETATM 0 HO1BGOL A1213 43.142 60.352 28.877 0.50 23.24 H new HETATM 0 H32AGOL A1213 43.762 58.089 27.474 0.50 12.09 H new HETATM 0 H32BGOL A1213 41.356 57.697 27.074 0.50 12.09 H new HETATM 0 H31AGOL A1213 44.013 57.653 25.998 0.50 12.09 H new HETATM 0 H31BGOL A1213 41.589 59.187 26.678 0.50 12.09 H new HETATM 0 H2 AGOL A1213 41.751 59.230 26.630 0.50 16.46 H new HETATM 0 H2 BGOL A1213 43.633 57.238 26.850 0.50 16.46 H new HETATM 0 H12AGOL A1213 41.659 57.164 27.891 0.50 17.49 H new HETATM 0 H12BGOL A1213 44.231 58.053 28.822 0.50 17.49 H new HETATM 0 H11AGOL A1213 41.362 56.464 26.529 0.50 17.49 H new HETATM 0 H11BGOL A1213 42.705 58.367 28.896 0.50 17.49 H new HETATM 1486 C1 GOL A1214 32.287 62.372 31.142 0.33 17.02 C HETATM 1487 O1 GOL A1214 33.289 63.020 30.361 0.33 11.28 O HETATM 1488 C2 GOL A1214 31.552 61.281 30.360 0.33 18.38 C HETATM 1489 O2 GOL A1214 31.145 61.838 29.129 0.33 18.95 O HETATM 1490 C3 GOL A1214 30.311 60.756 31.073 0.33 19.89 C HETATM 1491 O3 GOL A1214 29.238 60.680 30.151 0.33 24.16 O HETATM 0 HO3 GOL A1214 28.553 60.390 30.541 0.33 24.16 H new HETATM 0 HO2 GOL A1214 30.328 61.684 29.008 0.33 18.95 H new HETATM 0 HO1 GOL A1214 33.129 63.844 30.328 0.33 11.28 H new HETATM 0 H32 GOL A1214 30.489 59.881 31.451 0.33 19.89 H new HETATM 0 H31 GOL A1214 30.077 61.341 31.810 0.33 19.89 H new HETATM 0 H2 GOL A1214 32.161 60.534 30.256 0.33 18.38 H new HETATM 0 H12 GOL A1214 32.697 61.981 31.930 0.33 17.02 H new HETATM 0 H11 GOL A1214 31.646 63.031 31.453 0.33 17.02 H new HETATM 1492 C1 GOL A1215 41.060 13.050 19.977 1.00 25.08 C HETATM 1493 O1 GOL A1215 42.288 13.673 19.690 1.00 20.72 O HETATM 1494 C2 GOL A1215 41.094 11.585 19.561 1.00 32.26 C HETATM 1495 O2 GOL A1215 42.431 11.102 19.702 1.00 37.00 O HETATM 1496 C3 GOL A1215 40.636 11.515 18.111 1.00 34.35 C HETATM 1497 O3 GOL A1215 39.219 11.438 18.077 1.00 34.83 O HETATM 0 HO3 GOL A1215 38.959 11.401 17.279 1.00 34.83 H new HETATM 0 HO2 GOL A1215 42.941 11.741 19.894 1.00 37.00 H new HETATM 0 HO1 GOL A1215 42.235 14.492 19.867 1.00 20.72 H new HETATM 0 H32 GOL A1215 40.941 12.297 17.625 1.00 34.35 H new HETATM 0 H31 GOL A1215 41.024 10.741 17.674 1.00 34.35 H new HETATM 0 H2 GOL A1215 40.513 11.037 20.112 1.00 32.26 H new HETATM 0 H12 GOL A1215 40.871 13.118 20.926 1.00 25.08 H new HETATM 0 H11 GOL A1215 40.343 13.507 19.511 1.00 25.08 H new HETATM 1498 O HOH A2001 39.727 11.543 13.195 1.00 51.07 O HETATM 1499 O HOH A2002 31.362 27.657 8.394 1.00 13.05 O HETATM 1500 O HOH A2003 35.501 31.350 3.233 1.00 47.98 O HETATM 1501 O HOH A2004 42.277 21.586 3.951 1.00 45.12 O HETATM 1502 O HOH A2005 46.106 25.763 4.122 1.00 40.95 O HETATM 1503 O HOH A2006 46.625 27.734 3.044 1.00 40.07 O HETATM 1504 O HOH A2007 46.676 29.656 7.824 1.00 22.64 O HETATM 1505 O HOH A2008 39.907 28.983 1.510 1.00 46.05 O HETATM 1506 O HOH A2009 36.979 32.249 7.118 1.00 18.59 O HETATM 1507 O HOH A2010 47.702 27.343 6.876 1.00 34.79 O HETATM 1508 O HOH A2011 50.431 16.400 7.698 1.00 48.52 O HETATM 1509 O HOH A2012 47.557 15.280 5.864 1.00 35.90 O HETATM 1510 O HOH A2013 52.106 17.015 3.788 1.00 56.22 O HETATM 1511 O HOH A2014 47.208 22.185 5.798 1.00 17.24 O HETATM 1512 O HOH A2015 52.071 18.348 8.127 1.00 17.99 O HETATM 1513 O HOH A2016 28.725 27.584 8.998 1.00 21.72 O HETATM 1514 O HOH A2017 52.768 23.430 2.684 1.00 44.66 O HETATM 1515 O HOH A2018 55.290 23.219 1.210 1.00 49.01 O HETATM 1516 O HOH A2019 58.800 25.122 5.338 1.00 33.18 O HETATM 1517 O HOH A2020 56.098 18.299 5.730 1.00 40.05 O HETATM 1518 O HOH A2021 59.237 17.844 6.904 1.00 50.48 O HETATM 1519 O HOH A2022 56.715 18.606 9.888 1.00 24.56 O HETATM 1520 O HOH A2023 56.587 26.787 8.599 1.00 20.54 O HETATM 1521 O HOH A2024 42.239 18.161 3.376 1.00 54.46 O HETATM 1522 O HOH A2025 60.104 18.591 12.094 1.00 37.15 O HETATM 1523 O HOH A2026 47.539 22.377 3.158 1.00 39.97 O HETATM 1524 O HOH A2027 50.417 16.954 10.402 1.00 22.25 O HETATM 1525 O HOH A2028 49.428 14.165 12.309 1.00 39.35 O HETATM 1526 O HOH A2029 54.744 17.428 8.594 1.00 22.07 O HETATM 1527 O HOH A2030 53.081 13.080 10.499 1.00 39.68 O HETATM 1528 O HOH A2031 54.622 14.574 8.461 1.00 43.64 O HETATM 1529 O HOH A2032 49.473 13.774 16.521 1.00 23.20 O HETATM 1530 O HOH A2033 44.383 15.273 10.275 1.00 43.46 O HETATM 1531 O HOH A2034 45.163 45.132 25.610 0.50 16.49 O HETATM 1532 O HOH A2035 47.048 15.592 10.110 1.00 30.47 O HETATM 1533 O HOH A2036 36.451 18.235 3.919 1.00 43.79 O HETATM 1534 O HOH A2037 44.665 19.566 17.279 1.00 11.55 O HETATM 1535 O HOH A2038 47.740 12.881 13.974 1.00 37.23 O HETATM 1536 O HOH A2039 40.144 13.131 9.440 1.00 42.37 O HETATM 1537 O HOH A2040 31.355 13.058 16.642 1.00 32.45 O HETATM 1538 O HOH A2041 43.184 46.538 24.147 1.00 15.33 O HETATM 1539 O HOH A2042 42.708 15.083 12.171 1.00 20.68 O HETATM 1540 O HOH A2043 34.340 19.990 3.663 1.00 40.21 O HETATM 1541 O HOH A2044 30.270 19.572 5.306 1.00 49.72 O HETATM 1542 O HOH A2045 32.086 14.937 8.914 1.00 39.63 O HETATM 1543 O HOH A2046 30.295 17.189 8.719 1.00 27.45 O HETATM 1544 O HOH A2047 36.426 15.482 3.860 1.00 48.77 O HETATM 1545 O HOH A2048 42.894 13.763 15.247 1.00 34.54 O HETATM 1546 O HOH A2049 27.860 20.207 9.916 1.00 29.89 O HETATM 1547 O HOH A2050 27.385 25.149 8.509 1.00 33.64 O HETATM 1548 O HOH A2051 38.549 47.961 31.440 1.00 45.73 O HETATM 1549 O HOH A2052 42.181 39.706 29.217 1.00 36.22 O HETATM 1550 O HOH A2053 43.075 40.822 26.919 0.50 17.19 O HETATM 1551 O HOH A2054 44.170 43.469 27.307 1.00 36.34 O HETATM 1552 O HOH A2055 40.210 15.016 11.273 1.00 27.08 O HETATM 1553 O HOH A2056 29.326 35.847 6.772 1.00 47.88 O HETATM 1554 O HOH A2057 33.513 11.585 14.835 1.00 46.55 O HETATM 1555 O HOH A2058 37.660 13.076 8.807 1.00 21.06 O HETATM 1556 O HOH A2059 41.789 14.466 7.256 1.00 38.26 O HETATM 1557 O HOH A2060 43.262 49.227 23.152 1.00 13.32 O HETATM 1558 O HOH A2061 32.479 21.089 5.732 1.00 27.59 O HETATM 1559 O HOH A2062 35.076 14.598 7.160 1.00 21.14 O HETATM 1560 O HOH A2063 33.460 14.730 15.895 1.00 15.35 O HETATM 1561 O HOH A2064 29.331 15.911 11.175 1.00 27.94 O HETATM 1562 O HOH A2065 31.339 12.990 13.622 1.00 38.64 O HETATM 1563 O HOH A2066 29.150 55.245 6.809 1.00 33.88 O HETATM 1564 O HOH A2067 31.448 58.066 5.840 1.00 50.45 O HETATM 1565 O HOH A2068 18.968 53.444 11.265 1.00 35.93 O HETATM 1566 O HOH A2069 38.556 19.306 2.639 1.00 51.04 O HETATM 1567 O HOH A2070 16.555 18.853 16.740 1.00 64.39 O HETATM 1568 O HOH A2071 30.444 19.961 9.200 1.00 24.71 O HETATM 1569 O HOH A2072 29.627 23.998 6.664 1.00 34.92 O HETATM 1570 O HOH A2073 35.067 33.175 5.525 1.00 16.43 O HETATM 1571 O HOH A2074 41.237 47.263 26.132 1.00 23.89 O HETATM 1572 O HOH A2075 40.085 51.016 28.524 1.00 30.67 O HETATM 1573 O HOH A2076 32.311 58.306 32.323 0.33 19.86 O HETATM 1574 O HOH A2077 36.412 49.371 30.650 1.00 33.90 O HETATM 1575 O HOH A2078 39.896 41.498 30.407 1.00 51.17 O HETATM 1576 O HOH A2079 42.094 42.278 27.124 0.50 22.88 O HETATM 1577 O HOH A2080 28.516 47.206 26.533 1.00 38.83 O HETATM 1578 O HOH A2081 27.346 40.343 28.149 1.00 44.98 O HETATM 1579 O HOH A2082 36.963 38.011 28.806 1.00 49.72 O HETATM 1580 O HOH A2083 44.085 38.811 25.485 1.00 16.37 O HETATM 1581 O HOH A2084 42.140 36.959 28.628 1.00 40.00 O HETATM 1582 O HOH A2085 39.405 28.233 23.859 1.00 36.60 O HETATM 1583 O HOH A2086 39.600 29.817 25.647 1.00 46.23 O HETATM 1584 O HOH A2087 32.973 35.880 26.657 1.00 25.32 O HETATM 1585 O HOH A2088 37.148 30.477 25.938 1.00 30.74 O HETATM 1586 O HOH A2089 28.101 32.213 7.570 1.00 48.39 O HETATM 1587 O HOH A2090 28.401 36.430 9.404 1.00 23.41 O HETATM 1588 O HOH A2091 30.021 37.187 13.562 1.00 10.68 O HETATM 1589 O HOH A2092 32.524 37.373 11.347 1.00 25.49 O HETATM 1590 O HOH A2093 44.018 43.585 0.278 1.00 19.33 O HETATM 1591 O HOH A2094 47.422 44.830 1.756 1.00 28.75 O HETATM 1592 O HOH A2095 33.828 40.420 17.542 1.00 19.09 O HETATM 1593 O HOH A2096 49.391 43.700 2.212 1.00 22.98 O HETATM 1594 O HOH A2097 38.061 41.728 -0.218 1.00 39.34 O HETATM 1595 O HOH A2098 39.045 44.489 7.743 1.00 13.79 O HETATM 1596 O HOH A2099 45.151 50.305 21.418 1.00 9.80 O HETATM 1597 O HOH A2100 40.912 63.698 2.963 1.00 47.34 O HETATM 1598 O HOH A2101 41.718 62.416 4.878 1.00 32.73 O HETATM 1599 O HOH A2102 36.942 64.289 4.934 1.00 42.71 O HETATM 1600 O HOH A2103 32.125 60.826 5.921 1.00 47.04 O HETATM 1601 O HOH A2104 23.968 57.727 8.682 0.50 33.00 O HETATM 1602 O HOH A2105 42.088 50.925 24.767 1.00 23.48 O HETATM 1603 O HOH A2106 44.248 52.369 24.817 1.00 22.75 O HETATM 1604 O HOH A2107 27.957 64.319 7.436 1.00 56.79 O HETATM 1605 O HOH A2108 29.637 61.658 5.269 1.00 48.66 O HETATM 1606 O HOH A2109 25.126 57.465 7.642 0.50 19.90 O HETATM 1607 O HOH A2110 21.610 49.081 10.731 1.00 27.32 O HETATM 1608 O HOH A2111 20.418 52.038 13.326 1.00 25.00 O HETATM 1609 O HOH A2112 21.545 53.159 9.468 1.00 53.78 O HETATM 1610 O HOH A2113 31.124 50.910 4.714 1.00 41.55 O HETATM 1611 O HOH A2114 31.811 55.559 7.201 1.00 51.96 O HETATM 1612 O HOH A2115 23.185 39.539 8.827 1.00 38.86 O HETATM 1613 O HOH A2116 39.200 63.663 17.715 1.00 9.83 O HETATM 1614 O HOH A2117 37.057 58.030 10.959 1.00 10.43 O HETATM 1615 O HOH A2118 41.458 62.941 14.361 1.00 13.07 O HETATM 1616 O HOH A2119 24.994 29.303 9.757 1.00 35.87 O HETATM 1617 O HOH A2120 24.885 35.027 7.009 1.00 47.56 O HETATM 1618 O HOH A2121 29.821 64.787 18.550 1.00 11.69 O HETATM 1619 O HOH A2122 40.215 65.833 16.361 1.00 10.05 O HETATM 1620 O HOH A2123 19.716 19.707 19.685 0.33 54.23 O HETATM 1621 O HOH A2124 26.966 65.464 24.895 1.00 21.19 O HETATM 1622 O HOH A2125 35.601 28.551 26.979 1.00 24.48 O HETATM 1623 O HOH A2126 30.441 34.306 29.217 1.00 63.38 O HETATM 1624 O HOH A2127 38.147 62.348 27.292 1.00 18.80 O HETATM 1625 O HOH A2128 35.250 61.982 32.030 0.33 13.38 O HETATM 1626 O HOH A2129 25.182 59.674 25.393 1.00 18.94 O HETATM 1627 O HOH A2130 18.029 56.052 11.733 1.00 52.61 O HETATM 1628 O HOH A2131 10.798 58.743 16.910 1.00 41.41 O HETATM 1629 O HOH A2132 36.580 54.537 28.476 1.00 14.48 O HETATM 1630 O HOH A2133 42.441 55.131 24.728 1.00 7.01 O HETATM 1631 O HOH A2134 41.074 53.797 28.471 1.00 45.82 O HETATM 1632 O HOH A2135 40.028 49.806 26.115 1.00 17.69 O HETATM 1633 O HOH A2136 35.666 55.404 30.722 1.00 31.96 O HETATM 1634 O HOH A2137 37.576 51.882 29.039 1.00 27.18 O HETATM 1635 O HOH A2138 30.344 50.102 28.952 1.00 40.33 O HETATM 1636 O HOH A2139 33.072 55.920 31.297 1.00 27.79 O HETATM 1637 O HOH A2140 34.654 47.543 29.438 1.00 22.53 O HETATM 1638 O HOH A2141 31.623 52.960 32.604 1.00 37.37 O HETATM 1639 O HOH A2142 36.756 42.279 29.333 1.00 54.18 O HETATM 1640 O HOH A2143 39.788 43.700 28.445 1.00 24.57 O HETATM 1641 O HOH A2144 30.249 41.891 27.972 1.00 40.85 O HETATM 1642 O HOH A2145 36.130 39.187 24.682 1.00 17.59 O HETATM 1643 O HOH A2146 35.832 40.310 28.190 1.00 46.27 O HETATM 1644 O HOH A2147 33.436 40.277 27.739 1.00 50.05 O HETATM 1645 O HOH A2148 29.040 44.173 26.107 1.00 28.83 O HETATM 1646 O HOH A2149 33.798 39.338 23.627 1.00 28.28 O HETATM 1647 O HOH A2150 35.480 45.049 30.254 1.00 40.02 O HETATM 1648 O HOH A2151 31.090 46.682 26.619 1.00 35.33 O HETATM 1649 O HOH A2152 43.294 39.180 22.853 1.00 7.94 O HETATM 1650 O HOH A2153 42.495 36.502 25.884 1.00 12.84 O HETATM 1651 O HOH A2154 34.130 38.966 20.050 1.00 9.93 O HETATM 1652 O HOH A2155 46.522 36.028 26.864 1.00 19.76 O HETATM 1653 O HOH A2156 43.617 33.911 25.542 1.00 14.71 O HETATM 1654 O HOH A2157 36.363 36.933 26.196 1.00 18.26 O HETATM 1655 O HOH A2158 41.425 29.605 23.201 1.00 11.63 O HETATM 1656 O HOH A2159 35.548 32.808 26.133 1.00 29.89 O HETATM 1657 O HOH A2160 43.315 31.214 24.492 1.00 11.58 O HETATM 1658 O HOH A2161 42.627 27.083 22.594 1.00 10.86 O HETATM 1659 O HOH A2162 47.724 22.725 16.168 1.00 13.37 O HETATM 1660 O HOH A2163 48.277 24.486 14.175 1.00 13.50 O HETATM 1661 O HOH A2164 44.580 44.998 3.448 0.50 14.05 O HETATM 1662 O HOH A2165 49.133 42.402 4.539 1.00 16.54 O HETATM 1663 O HOH A2166 42.908 41.187 0.875 1.00 14.41 O HETATM 1664 O HOH A2167 43.861 36.788 2.206 1.00 23.29 O HETATM 1665 O HOH A2168 47.043 34.132 3.792 1.00 32.22 O HETATM 1666 O HOH A2169 48.107 36.414 8.312 1.00 12.98 O HETATM 1667 O HOH A2170 36.301 41.715 1.975 1.00 48.21 O HETATM 1668 O HOH A2171 43.805 35.276 0.094 1.00 38.29 O HETATM 1669 O HOH A2172 36.634 39.287 0.573 1.00 36.95 O HETATM 1670 O HOH A2173 37.107 35.614 0.738 0.50 34.06 O HETATM 1671 O HOH A2174 36.066 36.109 2.162 0.50 30.44 O HETATM 1672 O HOH A2175 43.935 33.185 2.185 1.00 48.45 O HETATM 1673 O HOH A2176 34.808 35.946 5.709 1.00 18.11 O HETATM 1674 O HOH A2177 39.402 31.564 1.074 1.00 31.62 O HETATM 1675 O HOH A2178 34.410 39.799 3.982 1.00 42.47 O HETATM 1676 O HOH A2179 30.213 37.734 10.972 1.00 21.01 O HETATM 1677 O HOH A2180 31.343 44.029 4.915 1.00 42.80 O HETATM 1678 O HOH A2181 37.093 43.794 5.523 1.00 29.44 O HETATM 1679 O HOH A2182 30.986 46.417 5.516 1.00 33.71 O HETATM 1680 O HOH A2183 33.779 51.843 7.280 1.00 27.97 O HETATM 1681 O HOH A2184 34.239 43.608 5.195 1.00 35.15 O HETATM 1682 O HOH A2185 37.200 48.488 2.971 1.00 32.69 O HETATM 1683 O HOH A2186 38.567 46.517 3.945 0.60 26.30 O HETATM 1684 O HOH A2187 35.178 51.539 4.842 1.00 45.40 O HETATM 1685 O HOH A2188 39.033 49.614 4.712 1.00 25.95 O HETATM 1686 O HOH A2189 38.990 47.017 6.528 1.00 13.11 O HETATM 1687 O HOH A2190 40.591 49.578 0.341 1.00 25.00 O HETATM 1688 O HOH A2191 43.884 51.886 -0.160 1.00 14.88 O HETATM 1689 O HOH A2192 36.711 53.717 3.948 1.00 33.27 O HETATM 1690 O HOH A2193 37.964 52.108 2.141 1.00 43.44 O HETATM 1691 O HOH A2194 38.582 61.991 5.303 1.00 23.71 O HETATM 1692 O HOH A2195 40.855 60.760 1.861 1.00 38.60 O HETATM 1693 O HOH A2196 35.928 55.754 5.196 1.00 42.31 O HETATM 1694 O HOH A2197 35.248 61.881 5.052 1.00 40.24 O HETATM 1695 O HOH A2198 41.536 59.347 7.675 1.00 18.27 O HETATM 1696 O HOH A2199 29.817 64.898 15.365 1.00 19.65 O HETATM 1697 O HOH A2200 24.571 63.066 10.258 1.00 28.85 O HETATM 1698 O HOH A2201 31.694 62.781 9.087 1.00 20.17 O HETATM 1699 O HOH A2202 27.766 66.801 13.040 1.00 32.50 O HETATM 1700 O HOH A2203 21.440 57.594 10.414 1.00 31.05 O HETATM 1701 O HOH A2204 26.960 55.679 8.672 1.00 15.88 O HETATM 1702 O HOH A2205 24.692 60.191 8.775 1.00 41.76 O HETATM 1703 O HOH A2206 29.342 62.132 7.587 1.00 34.04 O HETATM 1704 O HOH A2207 22.469 51.590 11.413 1.00 18.81 O HETATM 1705 O HOH A2208 31.401 50.305 7.114 1.00 19.25 O HETATM 1706 O HOH A2209 25.525 53.246 8.126 1.00 26.46 O HETATM 1707 O HOH A2210 27.674 51.999 6.892 1.00 31.74 O HETATM 1708 O HOH A2211 23.404 44.787 9.484 1.00 32.29 O HETATM 1709 O HOH A2212 31.703 47.586 7.882 1.00 12.75 O HETATM 1710 O HOH A2213 28.368 48.865 8.431 1.00 14.55 O HETATM 1711 O HOH A2214 20.583 47.382 12.545 1.00 25.79 O HETATM 1712 O HOH A2215 25.556 37.791 10.028 1.00 18.22 O HETATM 1713 O HOH A2216 29.338 44.801 8.552 1.00 14.75 O HETATM 1714 O HOH A2217 28.652 48.041 5.526 1.00 43.53 O HETATM 1715 O HOH A2218 31.108 38.327 6.607 0.50 17.57 O HETATM 1716 O HOH A2219 23.236 43.211 6.516 0.50 36.25 O HETATM 1717 O HOH A2220 25.509 39.912 6.257 1.00 57.28 O HETATM 1718 O HOH A2221 29.634 42.448 5.718 0.50 27.50 O HETATM 1719 O HOH A2222 21.635 37.107 7.738 1.00 48.87 O HETATM 1720 O HOH A2223 18.850 33.419 9.712 1.00 60.64 O HETATM 1721 O HOH A2224 33.631 38.540 15.311 1.00 22.39 O HETATM 1722 O HOH A2225 17.261 34.761 12.152 1.00 24.64 O HETATM 1723 O HOH A2226 25.109 34.857 9.960 1.00 21.20 O HETATM 1724 O HOH A2227 23.649 28.156 11.712 1.00 25.28 O HETATM 1725 O HOH A2228 27.481 29.724 10.399 1.00 18.06 O HETATM 1726 O HOH A2229 27.639 33.606 10.007 1.00 14.98 O HETATM 1727 O HOH A2230 19.581 27.212 19.062 1.00 22.52 O HETATM 1728 O HOH A2231 18.551 29.792 13.528 1.00 32.82 O HETATM 1729 O HOH A2232 22.544 23.455 16.017 1.00 30.54 O HETATM 1730 O HOH A2233 21.623 29.144 12.170 1.00 41.05 O HETATM 1731 O HOH A2234 23.450 25.433 11.534 1.00 35.96 O HETATM 1732 O HOH A2235 27.206 22.713 10.831 1.00 18.30 O HETATM 1733 O HOH A2236 24.310 26.575 19.756 1.00 18.91 O HETATM 1734 O HOH A2237 22.344 22.141 21.219 0.33 15.02 O HETATM 1735 O HOH A2238 23.703 21.437 22.141 0.50 21.16 O HETATM 1736 O HOH A2239 24.146 23.974 22.398 1.00 21.55 O HETATM 1737 O HOH A2240 24.646 17.501 17.854 1.00 57.50 O HETATM 1738 O HOH A2241 22.762 20.570 20.598 0.50 25.96 O HETATM 1739 O HOH A2242 25.842 19.614 21.752 1.00 27.40 O HETATM 1740 O HOH A2243 27.348 17.601 11.380 1.00 32.04 O HETATM 1741 O HOH A2244 25.285 16.851 15.548 1.00 41.75 O HETATM 1742 O HOH A2245 26.714 14.174 13.980 1.00 32.37 O HETATM 1743 O HOH A2246 27.560 24.727 23.357 1.00 24.81 O HETATM 1744 O HOH A2247 33.974 26.701 25.708 1.00 16.82 O HETATM 1745 O HOH A2248 30.844 28.143 29.439 0.50 14.76 O HETATM 1746 O HOH A2249 31.253 30.062 28.314 0.50 13.99 O HETATM 1747 O HOH A2250 31.521 31.455 26.972 0.50 22.27 O HETATM 1748 O HOH A2251 32.774 33.364 25.524 1.00 12.98 O HETATM 1749 O HOH A2252 24.941 26.204 22.392 1.00 22.46 O HETATM 1750 O HOH A2253 26.745 27.472 25.407 1.00 35.44 O HETATM 1751 O HOH A2254 29.053 37.295 27.555 1.00 19.90 O HETATM 1752 O HOH A2255 32.325 39.646 21.918 1.00 19.54 O HETATM 1753 O HOH A2256 23.117 40.562 25.277 1.00 9.19 O HETATM 1754 O HOH A2257 32.470 38.267 25.747 1.00 18.95 O HETATM 1755 O HOH A2258 21.026 44.237 20.517 1.00 13.07 O HETATM 1756 O HOH A2259 16.426 47.340 19.848 1.00 13.45 O HETATM 1757 O HOH A2260 19.207 49.571 14.202 1.00 20.09 O HETATM 1758 O HOH A2261 18.001 57.377 13.990 1.00 26.71 O HETATM 1759 O HOH A2262 14.090 58.494 16.956 1.00 26.44 O HETATM 1760 O HOH A2263 17.033 62.347 24.262 1.00 21.90 O HETATM 1761 O HOH A2264 14.880 63.451 21.163 1.00 28.03 O HETATM 1762 O HOH A2265 16.334 59.342 14.842 1.00 38.85 O HETATM 1763 O HOH A2266 13.787 62.301 18.638 1.00 26.75 O HETATM 1764 O HOH A2267 19.008 67.342 14.187 1.00 46.01 O HETATM 1765 O HOH A2268 26.289 65.802 15.583 1.00 32.93 O HETATM 1766 O HOH A2269 25.601 63.514 14.269 1.00 15.86 O HETATM 1767 O HOH A2270 26.249 67.830 11.117 1.00 50.09 O HETATM 1768 O HOH A2271 39.029 55.672 27.744 1.00 21.26 O HETATM 1769 O HOH A2272 39.725 60.387 28.422 1.00 23.47 O HETATM 1770 O HOH A2273 39.726 57.879 29.326 1.00 28.44 O HETATM 1771 O HOH A2274 42.689 61.926 29.589 1.00 39.95 O HETATM 1772 O HOH A2275 32.055 62.649 30.961 0.66 15.68 O HETATM 1773 O HOH A2276 44.665 13.172 18.445 1.00 24.67 O HETATM 1774 O HOH A2277 41.786 10.059 22.316 1.00 34.64 O HETATM 1775 O HOH A2278 38.498 12.491 15.004 1.00 41.14 O CONECT 44 1468 CONECT 64 1468 CONECT 144 1468 CONECT 191 1468 CONECT 192 1468 CONECT 435 1465 CONECT 521 1487 CONECT 538 1466 CONECT 539 1466 CONECT 1244 1467 CONECT 1465 435 1477 1485 1630 CONECT 1466 538 539 CONECT 1467 1244 1745 CONECT 1468 44 64 144 191 CONECT 1468 192 CONECT 1469 1470 1471 1472 1473 CONECT 1470 1469 CONECT 1471 1469 CONECT 1472 1469 CONECT 1473 1469 CONECT 1474 1475 1476 CONECT 1475 1474 CONECT 1476 1474 1477 1478 CONECT 1477 1465 1476 CONECT 1478 1476 1479 CONECT 1479 1478 CONECT 1480 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1484 CONECT 1483 1482 CONECT 1484 1482 1485 CONECT 1485 1465 1484 CONECT 1486 1487 1488 CONECT 1487 521 1486 CONECT 1488 1486 1489 1490 CONECT 1489 1488 CONECT 1490 1488 1491 CONECT 1491 1490 CONECT 1492 1493 1494 CONECT 1493 1492 CONECT 1494 1492 1495 1496 CONECT 1495 1494 CONECT 1496 1494 1497 CONECT 1497 1496 CONECT 1630 1465 CONECT 1745 1467 END