USER MOD reduce.3.24.130724 H: found=0, std=0, add=1422, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 29-SEP-05 2C2P TITLE THE CRYSTAL STRUCTURE OF MISMATCH SPECIFIC URACIL-DNA TITLE 2 GLYCOSYLASE (MUG) FROM DEINOCOCCUS RADIODURANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: G/U MISMATCH-SPECIFIC DNA GLYCOSYLASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MISMATCH-SPECIFIC URACIL-DNA GLYCOSYLASE; COMPND 5 EC: 3.2.2.-; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: ACETATE BOUND IN THE SUBSTRATE POCKET 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) KEYWDS DEINOCOCCUS RADIODURANS, RADIATION RESISTANCE, DNA REPAIR KEYWDS 2 ENZYMES, URACIL-DNA GLYCOSYLASE, MISMATCH SPECIFIC DNA- KEYWDS 3 GLYCOSYLASE, MUG, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR E.MOE,I.LEIROS,A.O.SMALAS,S.MCSWEENEY REVDAT 3 24-FEB-09 2C2P 1 VERSN REVDAT 2 18-JAN-06 2C2P 1 JRNL REVDAT 1 18-OCT-05 2C2P 0 JRNL AUTH E.MOE,I.LEIROS,A.O.SMALAS,S.MCSWEENEY JRNL TITL THE CRYSTAL STRUCTURE OF MISMATCH SPECIFIC URACIL- JRNL TITL 2 DNA GLYCOSYLASE (MUG) FROM DEINOCOCCUS RADIODURANS JRNL TITL 3 REVEALS A NOVEL CATALYTIC RESIDUE AND BROAD JRNL TITL 4 SUBSTRATE SPECIFICITY JRNL REF J.BIOL.CHEM. V. 281 569 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16223719 JRNL DOI 10.1074/JBC.M508032200 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 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) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 87.71 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 20611 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) : 0.183 REMARK 3 R VALUE (WORKING SET) : 0.179 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.100 REMARK 3 FREE R VALUE TEST SET COUNT : 2071 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) : 1.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.80 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1504 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2790 REMARK 3 BIN FREE R VALUE SET COUNT : 144 REMARK 3 BIN FREE R VALUE : 0.3350 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1426 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 152 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.13 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.58000 REMARK 3 B22 (A**2) : 0.58000 REMARK 3 B33 (A**2) : -0.87000 REMARK 3 B12 (A**2) : 0.29000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.108 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.110 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.074 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.320 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.941 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1473 ; 0.021 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 1350 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2017 ; 1.916 ; 1.969 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3130 ; 1.047 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 182 ; 7.308 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 217 ; 0.128 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1646 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 300 ; 0.003 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 311 ; 0.230 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1564 ; 0.254 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): 815 ; 0.085 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 114 ; 0.171 ; 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): 5 ; 0.159 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 42 ; 0.309 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 15 ; 0.138 ; 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 ; 1.341 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1482 ; 2.298 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 553 ; 3.183 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 535 ; 5.034 ; 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 : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 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. RESIDUES 1-6 AND 190-199 WERE DISORDERED AND REMARK 3 THEREFORE NOT MODELLED. REMARK 4 REMARK 4 2C2P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25824. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-OCT-03 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-4 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.939272 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22686 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 12.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 5.300 REMARK 200 R MERGE (I) : 0.05000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.84 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 5.10 REMARK 200 R MERGE FOR SHELL (I) : 0.53000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1MUG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.8 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.6 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM ACETATE TRIHYDRATE, REMARK 280 0.1 M SODIUM CACODYLATE PH 6.5, 30% W/V PEG 8000 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z REMARK 290 6555 X-Y,X,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 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 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC 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 375 REMARK 375 SPECIAL POSITION REMARK 375 HOH A2072 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 ALA A 3 REMARK 465 PRO A 4 REMARK 465 HIS A 5 REMARK 465 ASP A 6 REMARK 465 GLY A 190 REMARK 465 ASN A 191 REMARK 465 PRO A 192 REMARK 465 SER A 193 REMARK 465 PRO A 194 REMARK 465 GLU A 195 REMARK 465 THR A 196 REMARK 465 PRO A 197 REMARK 465 VAL A 198 REMARK 465 LEU A 199 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 65 - O HOH A 2059 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 9 CB - CG - OD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 104 CB - CG - OD2 ANGL. DEV. = 7.8 DEGREES REMARK 500 ASP A 178 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ARG A 181 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 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 PRO A 145 -128.18 -87.96 REMARK 500 LEU A 146 -110.97 -65.74 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO A 145 LEU A 146 -147.54 REMARK 500 LEU A 146 ASP A 147 30.76 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 LEU A 146 23.2 L L OUTSIDE RANGE REMARK 500 ASP A 147 24.3 L L OUTSIDE RANGE 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 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A1190 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2C2Q RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURE OF MISMATCH SPECIFIC REMARK 900 URACIL-DNA GLYCOSYLASE (MUG) FROM DEINOCOCCUS REMARK 900 RADIODURANS. INACTIVE MUTANT ASP93ALA. DBREF 2C2P A 1 199 UNP Q9RWF4 Q9RWF4_DEIRA 1 199 SEQRES 1 A 199 MET THR ALA PRO HIS ASP VAL PRO ASP LEU THR GLY SER SEQRES 2 A 199 GLY GLU TYR LEU VAL PRO ASP VAL LEU GLN PRO GLY LEU SEQRES 3 A 199 THR LEU VAL LEU VAL GLY THR ALA PRO SER GLY ILE SER SEQRES 4 A 199 ALA ARG ALA ARG ALA TYR TYR ALA ASN PRO GLU ASN LYS SEQRES 5 A 199 PHE TRP ARG THR LEU HIS ALA VAL GLY LEU THR PRO ARG SEQRES 6 A 199 GLN LEU VAL PRO GLN GLU TYR ALA THR LEU PRO GLN TYR SEQRES 7 A 199 GLY LEU GLY LEU THR ASP VAL ALA LYS ARG HIS SER GLY SEQRES 8 A 199 VAL ASP ALA ALA LEU PRO GLY GLU ALA TRP ARG PRO ASP SEQRES 9 A 199 GLU LEU ARG ARG LYS VAL GLU HIS TYR ARG PRO ARG ILE SEQRES 10 A 199 VAL ALA PHE THR SER LYS ARG GLY ALA SER GLU THR LEU SEQRES 11 A 199 GLY VAL PRO THR GLY LYS LEU PRO TYR GLY PRO GLN PRO SEQRES 12 A 199 GLN PRO LEU ASP TRP PRO ALA GLU THR GLU LEU TRP VAL SEQRES 13 A 199 LEU PRO SER THR SER PRO LEU GLY HIS ASN HIS PHE ARG SEQRES 14 A 199 LEU GLU PRO TRP GLN ALA LEU GLY ASP ARG VAL ARG GLU SEQRES 15 A 199 LEU ARG GLY ALA ALA GLU ALA GLY ASN PRO SER PRO GLU SEQRES 16 A 199 THR PRO VAL LEU HET ACT A1190 4 HETNAM ACT ACETATE ION FORMUL 2 ACT C2 H3 O2 1- FORMUL 3 HOH *152(H2 O1) HELIX 1 1 SER A 36 ARG A 43 1 8 HELIX 2 2 LYS A 52 VAL A 60 1 9 HELIX 3 3 VAL A 68 TYR A 78 5 11 HELIX 4 4 VAL A 92 LEU A 96 5 5 HELIX 5 5 PRO A 97 TRP A 101 5 5 HELIX 6 6 ARG A 102 ARG A 114 1 13 HELIX 7 7 SER A 122 GLY A 131 1 10 HELIX 8 8 PRO A 133 LEU A 137 5 5 HELIX 9 9 SER A 161 HIS A 165 5 5 HELIX 10 10 LEU A 170 ALA A 189 1 20 SHEET 1 AA 5 LEU A 80 ASP A 84 0 SHEET 2 AA 5 LEU A 28 GLY A 32 1 O LEU A 28 N GLY A 81 SHEET 3 AA 5 ILE A 117 PHE A 120 1 O ILE A 117 N VAL A 29 SHEET 4 AA 5 GLU A 153 VAL A 156 1 O GLU A 153 N VAL A 118 SHEET 5 AA 5 GLY A 140 PRO A 141 -1 O GLY A 140 N VAL A 156 SITE *** AC1 7 PRO A 35 TYR A 45 TYR A 46 ASP A 84 SITE *** AC1 7 HOH A2027 HOH A2151 HOH A2152 CRYST1 101.733 101.733 37.561 90.00 90.00 120.00 P 6 6 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 0.009830 0.005675 0.000000 0.00000 SCALE2 0.000000 0.011350 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026623 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 Set 1.1: A 52 LYS NZ :NH3+ -176:sc= 0.00257 (180deg=0) USER MOD Set 1.2: A 165 HIS : no HE2:sc= 0.394 K(o=0.4,f=-1.9!) USER MOD Set 2.1: A 16 TYR OH : rot 66:sc= 2.26 USER MOD Set 2.2: A 109 LYS NZ :NH3+ 177:sc= 2.71 (180deg=2.03) USER MOD Set 3.1: A 45 TYR OH : rot 172:sc= 1.06 USER MOD Set 3.2: A 87 LYS NZ :NH3+ -175:sc= 2.19 (180deg=2.16) USER MOD Set 4.1: A 77 GLN : amide:sc= 1.05 X(o=1,f=0.73) USER MOD Set 4.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 51 ASN : amide:sc= 1.81 K(o=3.9,f=-1.1!) USER MOD Set 5.2: A 160 THR OG1 : rot 103:sc= 2.1 USER MOD Set 6.1: A 46 TYR OH : rot 152:sc= 2.01 USER MOD Set 6.2: A 121 THR OG1 : rot -160:sc= 1.84 USER MOD Set 7.1: A 36 SER OG : rot 152:sc= 0.58 USER MOD Set 7.2: A 39 SER OG : rot 80:sc= 1.32 USER MOD Single : A 11 THR OG1 : rot -53:sc= 1.35 USER MOD Single : A 13 SER OG : rot 69:sc= 0.548 USER MOD Single : A 23 GLN : amide:sc= 0.575 X(o=0.58,f=0.5) USER MOD Single : A 27 THR OG1 : rot -150:sc= 0.12 USER MOD Single : A 33 THR OG1 : rot 158:sc= 1.41 USER MOD Single : A 48 ASN : amide:sc= 1.21 K(o=1.2,f=-4.5!) USER MOD Single : A 56 THR OG1 : rot 75:sc= 1.36 USER MOD Single : A 58 HIS : no HD1:sc= 1.26 K(o=1.3,f=-2.3!) USER MOD Single : A 63 THR OG1 : rot 102:sc= 2.32 USER MOD Single : A 66 GLN : amide:sc= 1.63 K(o=1.6,f=0.6) USER MOD Single : A 70 GLN : amide:sc= 0.88 X(o=0.88,f=0.52) USER MOD Single : A 72 TYR OH : rot 149:sc= 2.7 USER MOD Single : A 74 THR OG1 : rot -68:sc= 2.22 USER MOD Single : A 83 THR OG1 : rot 77:sc= 2.07 USER MOD Single : A 89 HIS : no HD1:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 90 SER OG : rot 81:sc= 0.743 USER MOD Single : A 112 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.0012) USER MOD Single : A 113 TYR OH : rot 172:sc= 1.3 USER MOD Single : A 122 SER OG : rot -27:sc= 1.62 USER MOD Single : A 123 LYS NZ :NH3+ -153:sc= 0.737 (180deg=0.401) USER MOD Single : A 127 SER OG : rot 76:sc= 0.461 USER MOD Single : A 129 THR OG1 : rot 84:sc= 0.415 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= 0.00584 USER MOD Single : A 142 GLN : amide:sc= 0.952 K(o=0.95,f=-0.97) USER MOD Single : A 144 GLN : amide:sc= -1.67! C(o=-1.7!,f=-4.5!) USER MOD Single : A 152 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 159 SER OG : rot 170:sc= 0.309 USER MOD Single : A 161 SER OG : rot 180:sc= -0.126 USER MOD Single : A 166 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 167 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.019) USER MOD Single : A 174 GLN : amide:sc= 1.06 K(o=1.1,f=-0.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 7 34.772 28.866 8.575 1.00 33.18 N ATOM 2 CA VAL A 7 33.506 29.593 8.143 1.00 34.26 C ATOM 3 C VAL A 7 33.778 30.309 6.807 1.00 31.58 C ATOM 4 O VAL A 7 34.677 31.130 6.774 1.00 31.31 O ATOM 5 CB VAL A 7 33.118 30.607 9.210 1.00 35.81 C ATOM 6 CG1 VAL A 7 34.384 31.435 9.680 1.00 38.65 C ATOM 7 CG2 VAL A 7 31.949 31.529 8.727 1.00 36.45 C ATOM 0 HA VAL A 7 32.778 28.962 8.030 1.00 34.26 H new ATOM 0 HB VAL A 7 32.785 30.124 9.983 1.00 35.81 H new ATOM 0 HG11 VAL A 7 34.119 32.075 10.359 1.00 38.65 H new ATOM 0 HG12 VAL A 7 35.048 30.831 10.048 1.00 38.65 H new ATOM 0 HG13 VAL A 7 34.762 31.907 8.922 1.00 38.65 H new ATOM 0 HG21 VAL A 7 31.726 32.162 9.427 1.00 36.45 H new ATOM 0 HG22 VAL A 7 32.224 32.011 7.931 1.00 36.45 H new ATOM 0 HG23 VAL A 7 31.172 30.986 8.523 1.00 36.45 H new ATOM 8 N PRO A 8 33.086 30.011 5.699 1.00 28.40 N ATOM 9 CA PRO A 8 33.410 30.683 4.436 1.00 26.57 C ATOM 10 C PRO A 8 33.195 32.214 4.489 1.00 24.98 C ATOM 11 O PRO A 8 32.380 32.674 5.277 1.00 24.12 O ATOM 12 CB PRO A 8 32.444 30.044 3.427 1.00 26.48 C ATOM 13 CG PRO A 8 31.920 28.850 4.074 1.00 27.59 C ATOM 14 CD PRO A 8 32.000 29.046 5.517 1.00 28.65 C ATOM 0 HA PRO A 8 34.347 30.573 4.210 1.00 26.57 H new ATOM 0 HB2 PRO A 8 31.728 30.656 3.196 1.00 26.48 H new ATOM 0 HB3 PRO A 8 32.902 29.819 2.602 1.00 26.48 H new ATOM 0 HG2 PRO A 8 31.002 28.693 3.804 1.00 27.59 H new ATOM 0 HG3 PRO A 8 32.431 28.069 3.809 1.00 27.59 H new ATOM 0 HD2 PRO A 8 31.164 29.384 5.874 1.00 28.65 H new ATOM 0 HD3 PRO A 8 32.188 28.213 5.976 1.00 28.65 H new ATOM 15 N ASP A 9 33.930 32.970 3.684 1.00 22.66 N ATOM 16 CA ASP A 9 33.648 34.406 3.536 1.00 21.01 C ATOM 17 C ASP A 9 32.456 34.508 2.566 1.00 18.38 C ATOM 18 O ASP A 9 31.993 33.509 2.046 1.00 17.67 O ATOM 19 CB ASP A 9 34.862 35.185 3.102 1.00 23.22 C ATOM 20 CG ASP A 9 35.378 34.787 1.743 1.00 26.84 C ATOM 21 OD1 ASP A 9 34.616 34.353 0.925 1.00 35.70 O ATOM 22 OD2 ASP A 9 36.540 34.878 1.387 1.00 32.68 O ATOM 0 H ASP A 9 34.591 32.682 3.216 1.00 22.66 H new ATOM 0 HA ASP A 9 33.416 34.814 4.385 1.00 21.01 H new ATOM 0 HB2 ASP A 9 34.645 36.130 3.093 1.00 23.22 H new ATOM 0 HB3 ASP A 9 35.567 35.062 3.757 1.00 23.22 H new ATOM 23 N LEU A 10 31.940 35.700 2.392 1.00 16.71 N ATOM 24 CA LEU A 10 30.685 35.898 1.658 1.00 16.27 C ATOM 25 C LEU A 10 30.819 35.548 0.182 1.00 17.40 C ATOM 26 O LEU A 10 29.801 35.290 -0.485 1.00 16.00 O ATOM 27 CB LEU A 10 30.252 37.335 1.818 1.00 16.76 C ATOM 28 CG LEU A 10 29.726 37.743 3.180 1.00 19.30 C ATOM 29 CD1 LEU A 10 29.289 39.178 3.125 1.00 18.66 C ATOM 30 CD2 LEU A 10 28.600 36.837 3.624 1.00 18.65 C ATOM 0 H LEU A 10 32.295 36.425 2.690 1.00 16.71 H new ATOM 0 HA LEU A 10 30.017 35.300 2.028 1.00 16.27 H new ATOM 0 HB2 LEU A 10 31.007 37.904 1.603 1.00 16.76 H new ATOM 0 HB3 LEU A 10 29.563 37.518 1.161 1.00 16.76 H new ATOM 0 HG LEU A 10 30.433 37.653 3.838 1.00 19.30 H new ATOM 0 HD11 LEU A 10 28.951 39.447 3.993 1.00 18.66 H new ATOM 0 HD12 LEU A 10 30.044 39.737 2.885 1.00 18.66 H new ATOM 0 HD13 LEU A 10 28.589 39.278 2.461 1.00 18.66 H new ATOM 0 HD21 LEU A 10 28.282 37.119 4.496 1.00 18.65 H new ATOM 0 HD22 LEU A 10 27.873 36.887 2.984 1.00 18.65 H new ATOM 0 HD23 LEU A 10 28.921 35.923 3.677 1.00 18.65 H new ATOM 31 N THR A 11 32.060 35.601 -0.343 1.00 17.66 N ATOM 32 CA THR A 11 32.285 35.243 -1.757 1.00 18.65 C ATOM 33 C THR A 11 32.858 33.850 -1.989 1.00 18.79 C ATOM 34 O THR A 11 33.199 33.498 -3.130 1.00 20.87 O ATOM 35 CB THR A 11 33.211 36.261 -2.459 1.00 20.58 C ATOM 36 OG1 THR A 11 34.531 36.173 -1.885 1.00 17.37 O ATOM 37 CG2 THR A 11 32.807 37.706 -2.232 1.00 22.45 C ATOM 0 H THR A 11 32.765 35.835 0.090 1.00 17.66 H new ATOM 0 HA THR A 11 31.393 35.257 -2.138 1.00 18.65 H new ATOM 0 HB THR A 11 33.164 36.042 -3.403 1.00 20.58 H new ATOM 0 HG1 THR A 11 34.480 36.254 -1.050 1.00 17.37 H new ATOM 0 HG21 THR A 11 33.425 38.292 -2.697 1.00 22.45 H new ATOM 0 HG22 THR A 11 31.910 37.849 -2.572 1.00 22.45 H new ATOM 0 HG23 THR A 11 32.828 37.903 -1.282 1.00 22.45 H new ATOM 38 N GLY A 12 32.989 33.073 -0.929 1.00 19.75 N ATOM 39 CA GLY A 12 33.615 31.766 -0.939 1.00 22.02 C ATOM 40 C GLY A 12 35.041 31.839 -1.532 1.00 22.74 C ATOM 41 O GLY A 12 35.452 30.965 -2.332 1.00 23.89 O ATOM 0 H GLY A 12 32.703 33.303 -0.151 1.00 19.75 H new ATOM 0 HA2 GLY A 12 33.654 31.416 -0.035 1.00 22.02 H new ATOM 0 HA3 GLY A 12 33.076 31.150 -1.459 1.00 22.02 H new ATOM 42 N SER A 13 35.789 32.845 -1.113 1.00 24.18 N ATOM 43 CA SER A 13 37.184 33.029 -1.577 1.00 25.80 C ATOM 44 C SER A 13 37.212 33.241 -3.095 1.00 26.79 C ATOM 45 O SER A 13 38.099 32.755 -3.813 1.00 28.28 O ATOM 46 CB SER A 13 38.053 31.857 -1.079 1.00 25.84 C ATOM 47 OG SER A 13 37.990 31.815 0.335 1.00 28.21 O ATOM 0 H SER A 13 35.519 33.443 -0.557 1.00 24.18 H new ATOM 0 HA SER A 13 37.571 33.832 -1.196 1.00 25.80 H new ATOM 0 HB2 SER A 13 37.737 31.020 -1.455 1.00 25.84 H new ATOM 0 HB3 SER A 13 38.971 31.971 -1.372 1.00 25.84 H new ATOM 0 HG SER A 13 37.220 31.579 0.574 1.00 28.21 H new ATOM 48 N GLY A 14 36.227 34.006 -3.566 1.00 26.34 N ATOM 49 CA GLY A 14 36.007 34.290 -4.971 1.00 27.30 C ATOM 50 C GLY A 14 35.437 33.195 -5.860 1.00 27.97 C ATOM 51 O GLY A 14 35.320 33.430 -7.065 1.00 30.84 O ATOM 0 H GLY A 14 35.651 34.385 -3.052 1.00 26.34 H new ATOM 0 HA2 GLY A 14 35.411 35.053 -5.026 1.00 27.30 H new ATOM 0 HA3 GLY A 14 36.856 34.565 -5.351 1.00 27.30 H new ATOM 52 N GLU A 15 35.086 32.039 -5.294 1.00 25.97 N ATOM 53 CA GLU A 15 34.522 30.904 -6.030 1.00 24.28 C ATOM 54 C GLU A 15 32.982 30.978 -6.198 1.00 22.78 C ATOM 55 O GLU A 15 32.432 30.392 -7.122 1.00 22.32 O ATOM 56 CB GLU A 15 34.853 29.597 -5.376 1.00 26.35 C ATOM 57 CG GLU A 15 36.360 29.271 -5.363 1.00 30.23 C ATOM 58 CD GLU A 15 36.719 27.941 -4.697 1.00 36.32 C ATOM 59 OE1 GLU A 15 35.847 27.114 -4.339 1.00 36.94 O ATOM 60 OE2 GLU A 15 37.961 27.694 -4.525 1.00 43.07 O ATOM 0 H GLU A 15 35.171 31.889 -4.451 1.00 25.97 H new ATOM 0 HA GLU A 15 34.931 30.957 -6.908 1.00 24.28 H new ATOM 0 HB2 GLU A 15 34.526 29.610 -4.463 1.00 26.35 H new ATOM 0 HB3 GLU A 15 34.381 28.886 -5.837 1.00 26.35 H new ATOM 0 HG2 GLU A 15 36.684 29.259 -6.277 1.00 30.23 H new ATOM 0 HG3 GLU A 15 36.829 29.986 -4.905 1.00 30.23 H new ATOM 61 N TYR A 16 32.305 31.727 -5.338 1.00 18.83 N ATOM 62 CA TYR A 16 30.823 31.807 -5.460 1.00 17.94 C ATOM 63 C TYR A 16 30.467 32.639 -6.698 1.00 17.09 C ATOM 64 O TYR A 16 31.110 33.661 -6.992 1.00 18.01 O ATOM 65 CB TYR A 16 30.242 32.404 -4.195 1.00 15.50 C ATOM 66 CG TYR A 16 30.273 31.581 -2.973 1.00 18.34 C ATOM 67 CD1 TYR A 16 30.696 30.261 -2.969 1.00 15.73 C ATOM 68 CD2 TYR A 16 29.889 32.140 -1.751 1.00 15.41 C ATOM 69 CE1 TYR A 16 30.692 29.504 -1.766 1.00 19.23 C ATOM 70 CE2 TYR A 16 29.913 31.434 -0.607 1.00 15.22 C ATOM 71 CZ TYR A 16 30.293 30.101 -0.617 1.00 20.75 C ATOM 72 OH TYR A 16 30.267 29.397 0.551 1.00 24.16 O ATOM 0 H TYR A 16 32.651 32.185 -4.697 1.00 18.83 H new ATOM 0 HA TYR A 16 30.442 30.922 -5.570 1.00 17.94 H new ATOM 0 HB2 TYR A 16 30.715 33.231 -4.010 1.00 15.50 H new ATOM 0 HB3 TYR A 16 29.318 32.640 -4.373 1.00 15.50 H new ATOM 0 HD1 TYR A 16 30.985 29.867 -3.760 1.00 15.73 H new ATOM 0 HD2 TYR A 16 29.609 33.026 -1.728 1.00 15.41 H new ATOM 0 HE1 TYR A 16 30.959 28.613 -1.768 1.00 19.23 H new ATOM 0 HE2 TYR A 16 29.674 31.842 0.194 1.00 15.22 H new ATOM 0 HH TYR A 16 31.051 29.190 0.771 1.00 24.16 H new ATOM 73 N LEU A 17 29.431 32.235 -7.414 1.00 16.39 N ATOM 74 CA LEU A 17 29.008 32.937 -8.607 1.00 16.97 C ATOM 75 C LEU A 17 28.448 34.287 -8.191 1.00 17.39 C ATOM 76 O LEU A 17 28.642 35.253 -8.892 1.00 17.46 O ATOM 77 CB LEU A 17 28.033 32.172 -9.461 1.00 17.26 C ATOM 78 CG LEU A 17 28.456 30.737 -9.883 1.00 20.76 C ATOM 79 CD1 LEU A 17 27.500 30.086 -10.783 1.00 23.41 C ATOM 80 CD2 LEU A 17 29.882 30.773 -10.521 1.00 23.03 C ATOM 0 H LEU A 17 28.954 31.546 -7.221 1.00 16.39 H new ATOM 0 HA LEU A 17 29.785 33.050 -9.176 1.00 16.97 H new ATOM 0 HB2 LEU A 17 27.192 32.112 -8.981 1.00 17.26 H new ATOM 0 HB3 LEU A 17 27.865 32.688 -10.265 1.00 17.26 H new ATOM 0 HG LEU A 17 28.469 30.198 -9.077 1.00 20.76 H new ATOM 0 HD11 LEU A 17 27.820 29.198 -11.008 1.00 23.41 H new ATOM 0 HD12 LEU A 17 26.638 30.017 -10.344 1.00 23.41 H new ATOM 0 HD13 LEU A 17 27.409 30.611 -11.593 1.00 23.41 H new ATOM 0 HD21 LEU A 17 30.142 29.876 -10.783 1.00 23.03 H new ATOM 0 HD22 LEU A 17 29.873 31.348 -11.302 1.00 23.03 H new ATOM 0 HD23 LEU A 17 30.517 31.118 -9.874 1.00 23.03 H new ATOM 81 N VAL A 18 27.688 34.325 -7.076 1.00 16.57 N ATOM 82 CA VAL A 18 27.064 35.543 -6.568 1.00 15.25 C ATOM 83 C VAL A 18 27.330 35.519 -5.049 1.00 16.05 C ATOM 84 O VAL A 18 27.249 34.454 -4.443 1.00 15.40 O ATOM 85 CB VAL A 18 25.522 35.553 -6.782 1.00 15.85 C ATOM 86 CG1 VAL A 18 25.007 36.878 -6.403 1.00 15.20 C ATOM 87 CG2 VAL A 18 25.197 35.252 -8.255 1.00 20.69 C ATOM 0 H VAL A 18 27.525 33.630 -6.596 1.00 16.57 H new ATOM 0 HA VAL A 18 27.423 36.318 -7.027 1.00 15.25 H new ATOM 0 HB VAL A 18 25.103 34.872 -6.233 1.00 15.85 H new ATOM 0 HG11 VAL A 18 24.046 36.900 -6.531 1.00 15.20 H new ATOM 0 HG12 VAL A 18 25.213 37.051 -5.471 1.00 15.20 H new ATOM 0 HG13 VAL A 18 25.422 37.557 -6.957 1.00 15.20 H new ATOM 0 HG21 VAL A 18 24.235 35.259 -8.382 1.00 20.69 H new ATOM 0 HG22 VAL A 18 25.603 35.927 -8.821 1.00 20.69 H new ATOM 0 HG23 VAL A 18 25.547 34.379 -8.492 1.00 20.69 H new ATOM 88 N PRO A 19 27.726 36.621 -4.418 1.00 15.14 N ATOM 89 CA PRO A 19 27.977 36.586 -2.993 1.00 13.47 C ATOM 90 C PRO A 19 26.781 36.140 -2.143 1.00 13.46 C ATOM 91 O PRO A 19 25.638 36.443 -2.512 1.00 14.27 O ATOM 92 CB PRO A 19 28.325 38.023 -2.681 1.00 14.12 C ATOM 93 CG PRO A 19 28.916 38.499 -3.955 1.00 15.56 C ATOM 94 CD PRO A 19 28.049 37.951 -4.964 1.00 16.26 C ATOM 0 HA PRO A 19 28.664 35.935 -2.780 1.00 13.47 H new ATOM 0 HB2 PRO A 19 27.541 38.538 -2.433 1.00 14.12 H new ATOM 0 HB3 PRO A 19 28.953 38.090 -1.945 1.00 14.12 H new ATOM 0 HG2 PRO A 19 28.941 39.468 -3.995 1.00 15.56 H new ATOM 0 HG3 PRO A 19 29.828 38.187 -4.062 1.00 15.56 H new ATOM 0 HD2 PRO A 19 27.254 38.492 -5.090 1.00 16.26 H new ATOM 0 HD3 PRO A 19 28.491 37.890 -5.826 1.00 16.26 H new ATOM 95 N ASP A 20 27.035 35.524 -1.007 1.00 13.15 N ATOM 96 CA ASP A 20 26.067 35.463 0.089 1.00 14.03 C ATOM 97 C ASP A 20 25.790 36.837 0.702 1.00 14.16 C ATOM 98 O ASP A 20 26.607 37.776 0.604 1.00 11.73 O ATOM 99 CB ASP A 20 26.635 34.604 1.174 1.00 12.79 C ATOM 100 CG ASP A 20 26.534 33.124 0.849 1.00 16.17 C ATOM 101 OD1 ASP A 20 25.708 32.757 -0.037 1.00 16.89 O ATOM 102 OD2 ASP A 20 27.261 32.284 1.445 1.00 17.07 O ATOM 0 H ASP A 20 27.778 35.123 -0.840 1.00 13.15 H new ATOM 0 HA ASP A 20 25.239 35.111 -0.274 1.00 14.03 H new ATOM 0 HB2 ASP A 20 27.565 34.839 1.316 1.00 12.79 H new ATOM 0 HB3 ASP A 20 26.167 34.783 2.004 1.00 12.79 H new ATOM 103 N VAL A 21 24.579 36.997 1.238 1.00 13.64 N ATOM 104 CA VAL A 21 24.221 38.163 2.038 1.00 14.04 C ATOM 105 C VAL A 21 23.896 37.657 3.452 1.00 15.15 C ATOM 106 O VAL A 21 22.746 37.183 3.765 1.00 14.45 O ATOM 107 CB VAL A 21 23.037 38.932 1.394 1.00 13.61 C ATOM 108 CG1 VAL A 21 22.643 40.140 2.242 1.00 17.48 C ATOM 109 CG2 VAL A 21 23.325 39.333 -0.064 1.00 15.33 C ATOM 0 H VAL A 21 23.941 36.428 1.146 1.00 13.64 H new ATOM 0 HA VAL A 21 24.953 38.798 2.081 1.00 14.04 H new ATOM 0 HB VAL A 21 22.281 38.325 1.369 1.00 13.61 H new ATOM 0 HG11 VAL A 21 21.903 40.604 1.820 1.00 17.48 H new ATOM 0 HG12 VAL A 21 22.376 39.842 3.126 1.00 17.48 H new ATOM 0 HG13 VAL A 21 23.400 40.742 2.319 1.00 17.48 H new ATOM 0 HG21 VAL A 21 22.561 39.809 -0.426 1.00 15.33 H new ATOM 0 HG22 VAL A 21 24.107 39.906 -0.094 1.00 15.33 H new ATOM 0 HG23 VAL A 21 23.488 38.536 -0.593 1.00 15.33 H new ATOM 110 N LEU A 22 24.886 37.703 4.329 1.00 14.73 N ATOM 111 CA LEU A 22 24.808 37.054 5.645 1.00 15.25 C ATOM 112 C LEU A 22 25.559 37.923 6.571 1.00 18.31 C ATOM 113 O LEU A 22 26.633 38.467 6.209 1.00 18.32 O ATOM 114 CB LEU A 22 25.421 35.638 5.642 1.00 15.39 C ATOM 115 CG LEU A 22 24.725 34.647 4.727 1.00 14.23 C ATOM 116 CD1 LEU A 22 25.565 33.376 4.562 1.00 16.50 C ATOM 117 CD2 LEU A 22 23.327 34.342 5.253 1.00 14.81 C ATOM 0 H LEU A 22 25.629 38.111 4.185 1.00 14.73 H new ATOM 0 HA LEU A 22 23.880 36.945 5.906 1.00 15.25 H new ATOM 0 HB2 LEU A 22 26.353 35.703 5.379 1.00 15.39 H new ATOM 0 HB3 LEU A 22 25.405 35.290 6.547 1.00 15.39 H new ATOM 0 HG LEU A 22 24.631 35.042 3.846 1.00 14.23 H new ATOM 0 HD11 LEU A 22 25.104 32.757 3.975 1.00 16.50 H new ATOM 0 HD12 LEU A 22 26.426 33.604 4.178 1.00 16.50 H new ATOM 0 HD13 LEU A 22 25.698 32.961 5.429 1.00 16.50 H new ATOM 0 HD21 LEU A 22 22.890 33.708 4.663 1.00 14.81 H new ATOM 0 HD22 LEU A 22 23.392 33.962 6.143 1.00 14.81 H new ATOM 0 HD23 LEU A 22 22.809 35.161 5.288 1.00 14.81 H new ATOM 118 N GLN A 23 25.013 37.981 7.769 1.00 18.07 N ATOM 119 CA GLN A 23 25.603 38.630 8.916 1.00 17.75 C ATOM 120 C GLN A 23 24.885 38.159 10.181 1.00 19.36 C ATOM 121 O GLN A 23 23.784 37.511 10.153 1.00 17.39 O ATOM 122 CB GLN A 23 25.549 40.149 8.771 1.00 18.31 C ATOM 123 CG GLN A 23 24.166 40.737 8.690 1.00 19.81 C ATOM 124 CD GLN A 23 24.131 42.205 8.314 1.00 23.52 C ATOM 125 OE1 GLN A 23 24.741 42.613 7.332 1.00 29.68 O ATOM 126 NE2 GLN A 23 23.358 42.974 9.036 1.00 27.13 N ATOM 0 H GLN A 23 24.250 37.625 7.943 1.00 18.07 H new ATOM 0 HA GLN A 23 26.540 38.387 8.980 1.00 17.75 H new ATOM 0 HB2 GLN A 23 26.011 40.548 9.525 1.00 18.31 H new ATOM 0 HB3 GLN A 23 26.039 40.401 7.973 1.00 18.31 H new ATOM 0 HG2 GLN A 23 23.651 40.235 8.039 1.00 19.81 H new ATOM 0 HG3 GLN A 23 23.727 40.623 9.548 1.00 19.81 H new ATOM 0 HE21 GLN A 23 22.946 42.651 9.718 1.00 27.13 H new ATOM 0 HE22 GLN A 23 23.261 43.803 8.828 1.00 27.13 H new ATOM 127 N PRO A 24 25.497 38.403 11.334 1.00 19.41 N ATOM 128 CA PRO A 24 24.792 38.121 12.601 1.00 20.54 C ATOM 129 C PRO A 24 23.511 38.921 12.761 1.00 19.76 C ATOM 130 O PRO A 24 23.358 40.019 12.192 1.00 18.72 O ATOM 131 CB PRO A 24 25.851 38.539 13.672 1.00 20.67 C ATOM 132 CG PRO A 24 27.152 38.497 12.946 1.00 21.40 C ATOM 133 CD PRO A 24 26.855 38.956 11.565 1.00 21.10 C ATOM 0 HA PRO A 24 24.500 37.198 12.664 1.00 20.54 H new ATOM 0 HB2 PRO A 24 25.670 39.426 14.021 1.00 20.67 H new ATOM 0 HB3 PRO A 24 25.848 37.931 14.428 1.00 20.67 H new ATOM 0 HG2 PRO A 24 27.807 39.072 13.371 1.00 21.40 H new ATOM 0 HG3 PRO A 24 27.521 37.600 12.943 1.00 21.40 H new ATOM 0 HD2 PRO A 24 26.869 39.923 11.494 1.00 21.10 H new ATOM 0 HD3 PRO A 24 27.498 38.615 10.924 1.00 21.10 H new ATOM 134 N GLY A 25 22.600 38.398 13.573 1.00 21.03 N ATOM 135 CA GLY A 25 21.406 39.132 13.950 1.00 21.22 C ATOM 136 C GLY A 25 20.286 39.240 12.967 1.00 21.04 C ATOM 137 O GLY A 25 19.420 40.059 13.142 1.00 22.17 O ATOM 0 H GLY A 25 22.658 37.612 13.918 1.00 21.03 H new ATOM 0 HA2 GLY A 25 21.052 38.723 14.755 1.00 21.22 H new ATOM 0 HA3 GLY A 25 21.677 40.033 14.186 1.00 21.22 H new ATOM 138 N LEU A 26 20.316 38.499 11.857 1.00 20.67 N ATOM 139 CA LEU A 26 19.223 38.602 10.904 1.00 18.27 C ATOM 140 C LEU A 26 17.973 37.845 11.387 1.00 17.19 C ATOM 141 O LEU A 26 18.063 36.849 12.154 1.00 16.36 O ATOM 142 CB LEU A 26 19.620 38.043 9.548 1.00 17.92 C ATOM 143 CG LEU A 26 20.727 38.784 8.803 1.00 17.52 C ATOM 144 CD1 LEU A 26 21.184 37.877 7.674 1.00 17.21 C ATOM 145 CD2 LEU A 26 20.252 40.057 8.229 1.00 16.97 C ATOM 0 H LEU A 26 20.942 37.948 11.646 1.00 20.67 H new ATOM 0 HA LEU A 26 19.019 39.547 10.826 1.00 18.27 H new ATOM 0 HB2 LEU A 26 19.900 37.122 9.669 1.00 17.92 H new ATOM 0 HB3 LEU A 26 18.832 38.028 8.983 1.00 17.92 H new ATOM 0 HG LEU A 26 21.444 38.995 9.422 1.00 17.52 H new ATOM 0 HD11 LEU A 26 21.891 38.314 7.174 1.00 17.21 H new ATOM 0 HD12 LEU A 26 21.517 37.044 8.043 1.00 17.21 H new ATOM 0 HD13 LEU A 26 20.437 37.693 7.084 1.00 17.21 H new ATOM 0 HD21 LEU A 26 20.982 40.496 7.766 1.00 16.97 H new ATOM 0 HD22 LEU A 26 19.532 39.881 7.603 1.00 16.97 H new ATOM 0 HD23 LEU A 26 19.929 40.632 8.940 1.00 16.97 H new ATOM 146 N THR A 27 16.849 38.394 10.966 1.00 16.80 N ATOM 147 CA THR A 27 15.554 37.732 11.189 1.00 17.34 C ATOM 148 C THR A 27 15.298 36.568 10.262 1.00 16.41 C ATOM 149 O THR A 27 14.747 35.543 10.697 1.00 17.87 O ATOM 150 CB THR A 27 14.421 38.754 11.085 1.00 19.05 C ATOM 151 OG1 THR A 27 14.675 39.847 11.988 1.00 20.27 O ATOM 152 CG2 THR A 27 13.165 38.193 11.618 1.00 20.00 C ATOM 0 H THR A 27 16.802 39.145 10.550 1.00 16.80 H new ATOM 0 HA THR A 27 15.586 37.359 12.084 1.00 17.34 H new ATOM 0 HB THR A 27 14.363 39.010 10.151 1.00 19.05 H new ATOM 0 HG1 THR A 27 13.945 40.173 12.247 1.00 20.27 H new ATOM 0 HG21 THR A 27 12.458 38.853 11.544 1.00 20.00 H new ATOM 0 HG22 THR A 27 12.922 37.403 11.111 1.00 20.00 H new ATOM 0 HG23 THR A 27 13.287 37.954 12.550 1.00 20.00 H new ATOM 153 N LEU A 28 15.678 36.689 9.002 1.00 16.70 N ATOM 154 CA LEU A 28 15.263 35.733 8.005 1.00 15.36 C ATOM 155 C LEU A 28 16.372 35.597 6.967 1.00 15.00 C ATOM 156 O LEU A 28 16.774 36.602 6.412 1.00 15.37 O ATOM 157 CB LEU A 28 13.963 36.167 7.353 1.00 16.12 C ATOM 158 CG LEU A 28 13.582 35.480 6.032 1.00 15.99 C ATOM 159 CD1 LEU A 28 13.375 33.985 6.335 1.00 15.02 C ATOM 160 CD2 LEU A 28 12.370 36.051 5.395 1.00 17.66 C ATOM 0 H LEU A 28 16.179 37.322 8.706 1.00 16.70 H new ATOM 0 HA LEU A 28 15.105 34.873 8.424 1.00 15.36 H new ATOM 0 HB2 LEU A 28 13.244 36.021 7.987 1.00 16.12 H new ATOM 0 HB3 LEU A 28 14.010 37.123 7.193 1.00 16.12 H new ATOM 0 HG LEU A 28 14.298 35.622 5.394 1.00 15.99 H new ATOM 0 HD11 LEU A 28 13.132 33.520 5.519 1.00 15.02 H new ATOM 0 HD12 LEU A 28 14.196 33.610 6.689 1.00 15.02 H new ATOM 0 HD13 LEU A 28 12.665 33.882 6.988 1.00 15.02 H new ATOM 0 HD21 LEU A 28 12.184 35.576 4.570 1.00 17.66 H new ATOM 0 HD22 LEU A 28 11.615 35.961 5.997 1.00 17.66 H new ATOM 0 HD23 LEU A 28 12.518 36.990 5.201 1.00 17.66 H new ATOM 161 N VAL A 29 16.814 34.381 6.732 1.00 14.61 N ATOM 162 CA VAL A 29 17.594 34.084 5.555 1.00 14.28 C ATOM 163 C VAL A 29 16.797 33.194 4.583 1.00 14.14 C ATOM 164 O VAL A 29 16.336 32.139 4.944 1.00 14.58 O ATOM 165 CB VAL A 29 18.903 33.397 5.953 1.00 14.00 C ATOM 166 CG1 VAL A 29 19.638 32.890 4.724 1.00 15.20 C ATOM 167 CG2 VAL A 29 19.791 34.349 6.799 1.00 15.17 C ATOM 0 H VAL A 29 16.672 33.707 7.247 1.00 14.61 H new ATOM 0 HA VAL A 29 17.800 34.917 5.104 1.00 14.28 H new ATOM 0 HB VAL A 29 18.691 32.629 6.506 1.00 14.00 H new ATOM 0 HG11 VAL A 29 20.463 32.459 4.995 1.00 15.20 H new ATOM 0 HG12 VAL A 29 19.080 32.252 4.253 1.00 15.20 H new ATOM 0 HG13 VAL A 29 19.841 33.636 4.138 1.00 15.20 H new ATOM 0 HG21 VAL A 29 20.614 33.895 7.040 1.00 15.17 H new ATOM 0 HG22 VAL A 29 20.000 35.142 6.281 1.00 15.17 H new ATOM 0 HG23 VAL A 29 19.315 34.605 7.605 1.00 15.17 H new ATOM 168 N LEU A 30 16.686 33.647 3.344 1.00 13.64 N ATOM 169 CA LEU A 30 15.967 32.999 2.236 1.00 13.73 C ATOM 170 C LEU A 30 16.993 32.282 1.381 1.00 13.78 C ATOM 171 O LEU A 30 17.962 32.910 0.872 1.00 14.12 O ATOM 172 CB LEU A 30 15.210 34.023 1.382 1.00 14.39 C ATOM 173 CG LEU A 30 14.063 34.643 2.203 1.00 15.15 C ATOM 174 CD1 LEU A 30 13.826 36.086 1.849 1.00 17.38 C ATOM 175 CD2 LEU A 30 12.806 33.746 1.983 1.00 13.79 C ATOM 0 H LEU A 30 17.049 34.389 3.104 1.00 13.64 H new ATOM 0 HA LEU A 30 15.312 32.380 2.595 1.00 13.73 H new ATOM 0 HB2 LEU A 30 15.817 34.718 1.082 1.00 14.39 H new ATOM 0 HB3 LEU A 30 14.855 33.594 0.587 1.00 14.39 H new ATOM 0 HG LEU A 30 14.290 34.662 3.146 1.00 15.15 H new ATOM 0 HD11 LEU A 30 13.099 36.436 2.387 1.00 17.38 H new ATOM 0 HD12 LEU A 30 14.631 36.598 2.022 1.00 17.38 H new ATOM 0 HD13 LEU A 30 13.595 36.155 0.909 1.00 17.38 H new ATOM 0 HD21 LEU A 30 12.059 34.106 2.487 1.00 13.79 H new ATOM 0 HD22 LEU A 30 12.581 33.729 1.040 1.00 13.79 H new ATOM 0 HD23 LEU A 30 12.995 32.844 2.286 1.00 13.79 H new ATOM 176 N VAL A 31 16.793 30.953 1.292 1.00 14.54 N ATOM 177 CA VAL A 31 17.760 30.021 0.658 1.00 13.14 C ATOM 178 C VAL A 31 17.196 29.354 -0.602 1.00 12.30 C ATOM 179 O VAL A 31 16.181 28.636 -0.534 1.00 13.91 O ATOM 180 CB VAL A 31 18.163 28.956 1.629 1.00 14.55 C ATOM 181 CG1 VAL A 31 19.198 28.033 0.982 1.00 14.60 C ATOM 182 CG2 VAL A 31 18.690 29.560 2.900 1.00 17.77 C ATOM 0 H VAL A 31 16.090 30.563 1.598 1.00 14.54 H new ATOM 0 HA VAL A 31 18.528 30.553 0.398 1.00 13.14 H new ATOM 0 HB VAL A 31 17.382 28.430 1.862 1.00 14.55 H new ATOM 0 HG11 VAL A 31 19.457 27.344 1.614 1.00 14.60 H new ATOM 0 HG12 VAL A 31 18.815 27.620 0.193 1.00 14.60 H new ATOM 0 HG13 VAL A 31 19.979 28.549 0.729 1.00 14.60 H new ATOM 0 HG21 VAL A 31 18.945 28.853 3.513 1.00 17.77 H new ATOM 0 HG22 VAL A 31 19.464 30.109 2.701 1.00 17.77 H new ATOM 0 HG23 VAL A 31 18.002 30.109 3.308 1.00 17.77 H new ATOM 183 N GLY A 32 17.793 29.637 -1.752 1.00 12.51 N ATOM 184 CA GLY A 32 17.364 29.022 -2.979 1.00 12.67 C ATOM 185 C GLY A 32 18.148 27.775 -3.284 1.00 13.70 C ATOM 186 O GLY A 32 18.929 27.311 -2.511 1.00 13.81 O ATOM 0 H GLY A 32 18.450 30.186 -1.835 1.00 12.51 H new ATOM 0 HA2 GLY A 32 16.421 28.804 -2.919 1.00 12.67 H new ATOM 0 HA3 GLY A 32 17.463 29.653 -3.709 1.00 12.67 H new ATOM 187 N THR A 33 17.924 27.216 -4.436 1.00 15.26 N ATOM 188 CA THR A 33 18.743 26.068 -4.860 1.00 15.19 C ATOM 189 C THR A 33 20.072 26.493 -5.396 1.00 17.09 C ATOM 190 O THR A 33 21.104 26.185 -4.842 1.00 17.81 O ATOM 191 CB THR A 33 17.977 25.263 -5.869 1.00 17.64 C ATOM 192 OG1 THR A 33 17.370 26.084 -6.877 1.00 14.69 O ATOM 193 CG2 THR A 33 16.846 24.502 -5.149 1.00 19.10 C ATOM 0 H THR A 33 17.319 27.464 -4.995 1.00 15.26 H new ATOM 0 HA THR A 33 18.928 25.517 -4.084 1.00 15.19 H new ATOM 0 HB THR A 33 18.608 24.662 -6.295 1.00 17.64 H new ATOM 0 HG1 THR A 33 17.214 25.620 -7.560 1.00 14.69 H new ATOM 0 HG21 THR A 33 16.346 23.979 -5.795 1.00 19.10 H new ATOM 0 HG22 THR A 33 17.227 23.911 -4.481 1.00 19.10 H new ATOM 0 HG23 THR A 33 16.252 25.136 -4.718 1.00 19.10 H new ATOM 194 N ALA A 34 20.027 27.154 -6.532 1.00 18.12 N ATOM 195 CA ALA A 34 21.177 27.714 -7.209 1.00 18.11 C ATOM 196 C ALA A 34 20.737 28.937 -7.992 1.00 17.27 C ATOM 197 O ALA A 34 19.523 29.010 -8.381 1.00 17.62 O ATOM 198 CB ALA A 34 21.702 26.692 -8.185 1.00 17.81 C ATOM 0 H ALA A 34 19.290 27.296 -6.952 1.00 18.12 H new ATOM 0 HA ALA A 34 21.860 27.954 -6.564 1.00 18.11 H new ATOM 0 HB1 ALA A 34 22.474 27.053 -8.648 1.00 17.81 H new ATOM 0 HB2 ALA A 34 21.959 25.889 -7.706 1.00 17.81 H new ATOM 0 HB3 ALA A 34 21.011 26.476 -8.830 1.00 17.81 H new ATOM 199 N PRO A 35 21.643 29.838 -8.321 1.00 16.47 N ATOM 200 CA PRO A 35 21.302 30.961 -9.247 1.00 16.45 C ATOM 201 C PRO A 35 20.906 30.430 -10.625 1.00 16.98 C ATOM 202 O PRO A 35 21.565 29.487 -11.127 1.00 17.15 O ATOM 203 CB PRO A 35 22.605 31.778 -9.346 1.00 16.66 C ATOM 204 CG PRO A 35 23.663 30.744 -9.017 1.00 15.90 C ATOM 205 CD PRO A 35 23.073 29.853 -7.957 1.00 16.37 C ATOM 0 HA PRO A 35 20.551 31.485 -8.928 1.00 16.45 H new ATOM 0 HB2 PRO A 35 22.730 32.154 -10.232 1.00 16.66 H new ATOM 0 HB3 PRO A 35 22.616 32.518 -8.720 1.00 16.66 H new ATOM 0 HG2 PRO A 35 23.902 30.232 -9.805 1.00 15.90 H new ATOM 0 HG3 PRO A 35 24.474 31.169 -8.698 1.00 15.90 H new ATOM 0 HD2 PRO A 35 23.460 28.964 -7.975 1.00 16.37 H new ATOM 0 HD3 PRO A 35 23.216 30.207 -7.065 1.00 16.37 H new ATOM 206 N SER A 36 19.810 30.953 -11.203 1.00 16.93 N ATOM 207 CA SER A 36 19.564 30.763 -12.638 1.00 17.06 C ATOM 208 C SER A 36 20.750 31.336 -13.413 1.00 17.50 C ATOM 209 O SER A 36 21.511 32.149 -12.920 1.00 17.40 O ATOM 210 CB SER A 36 18.258 31.477 -13.088 1.00 18.31 C ATOM 211 OG SER A 36 18.424 32.877 -12.977 1.00 18.49 O ATOM 0 H SER A 36 19.211 31.411 -10.789 1.00 16.93 H new ATOM 0 HA SER A 36 19.462 29.815 -12.816 1.00 17.06 H new ATOM 0 HB2 SER A 36 18.046 31.238 -14.004 1.00 18.31 H new ATOM 0 HB3 SER A 36 17.513 31.185 -12.540 1.00 18.31 H new ATOM 0 HG SER A 36 17.931 33.263 -13.537 1.00 18.49 H new ATOM 212 N GLY A 37 20.890 30.956 -14.696 1.00 18.59 N ATOM 213 CA GLY A 37 21.888 31.610 -15.504 1.00 18.19 C ATOM 214 C GLY A 37 21.791 33.095 -15.578 1.00 18.27 C ATOM 215 O GLY A 37 22.787 33.824 -15.559 1.00 20.22 O ATOM 0 H GLY A 37 20.430 30.345 -15.089 1.00 18.59 H new ATOM 0 HA2 GLY A 37 22.764 31.377 -15.158 1.00 18.19 H new ATOM 0 HA3 GLY A 37 21.835 31.254 -16.405 1.00 18.19 H new ATOM 216 N ILE A 38 20.566 33.590 -15.704 1.00 18.84 N ATOM 217 CA ILE A 38 20.344 35.003 -15.719 1.00 18.35 C ATOM 218 C ILE A 38 20.858 35.656 -14.415 1.00 16.98 C ATOM 219 O ILE A 38 21.463 36.704 -14.437 1.00 19.16 O ATOM 220 CB ILE A 38 18.784 35.298 -15.879 1.00 19.38 C ATOM 221 CG1 ILE A 38 18.355 34.858 -17.294 1.00 20.80 C ATOM 222 CG2 ILE A 38 18.466 36.764 -15.615 1.00 19.42 C ATOM 223 CD1 ILE A 38 16.911 34.984 -17.554 1.00 23.38 C ATOM 0 H ILE A 38 19.855 33.112 -15.782 1.00 18.84 H new ATOM 0 HA ILE A 38 20.831 35.381 -16.468 1.00 18.35 H new ATOM 0 HB ILE A 38 18.282 34.794 -15.220 1.00 19.38 H new ATOM 0 HG12 ILE A 38 18.838 35.388 -17.947 1.00 20.80 H new ATOM 0 HG13 ILE A 38 18.618 33.934 -17.428 1.00 20.80 H new ATOM 0 HG21 ILE A 38 17.513 36.913 -15.719 1.00 19.42 H new ATOM 0 HG22 ILE A 38 18.732 36.995 -14.711 1.00 19.42 H new ATOM 0 HG23 ILE A 38 18.950 37.319 -16.246 1.00 19.42 H new ATOM 0 HD11 ILE A 38 16.718 34.691 -18.458 1.00 23.38 H new ATOM 0 HD12 ILE A 38 16.419 34.434 -16.924 1.00 23.38 H new ATOM 0 HD13 ILE A 38 16.643 35.911 -17.451 1.00 23.38 H new ATOM 224 N SER A 39 20.533 35.056 -13.296 1.00 16.60 N ATOM 225 CA SER A 39 21.006 35.561 -11.985 1.00 16.91 C ATOM 226 C SER A 39 22.547 35.543 -11.876 1.00 15.69 C ATOM 227 O SER A 39 23.129 36.460 -11.374 1.00 17.90 O ATOM 228 CB SER A 39 20.383 34.740 -10.868 1.00 17.10 C ATOM 229 OG SER A 39 19.005 35.079 -10.781 1.00 18.96 O ATOM 0 H SER A 39 20.040 34.353 -13.251 1.00 16.60 H new ATOM 0 HA SER A 39 20.728 36.487 -11.903 1.00 16.91 H new ATOM 0 HB2 SER A 39 20.487 33.792 -11.046 1.00 17.10 H new ATOM 0 HB3 SER A 39 20.829 34.921 -10.026 1.00 17.10 H new ATOM 0 HG SER A 39 18.578 34.671 -11.378 1.00 18.96 H new ATOM 230 N ALA A 40 23.145 34.486 -12.331 1.00 17.89 N ATOM 231 CA ALA A 40 24.594 34.337 -12.284 1.00 18.86 C ATOM 232 C ALA A 40 25.250 35.410 -13.148 1.00 19.75 C ATOM 233 O ALA A 40 26.191 36.086 -12.713 1.00 20.62 O ATOM 234 CB ALA A 40 25.048 32.954 -12.704 1.00 19.82 C ATOM 0 H ALA A 40 22.733 33.818 -12.683 1.00 17.89 H new ATOM 0 HA ALA A 40 24.873 34.450 -11.362 1.00 18.86 H new ATOM 0 HB1 ALA A 40 26.015 32.903 -12.657 1.00 19.82 H new ATOM 0 HB2 ALA A 40 24.660 32.292 -12.111 1.00 19.82 H new ATOM 0 HB3 ALA A 40 24.759 32.781 -13.614 1.00 19.82 H new ATOM 235 N ARG A 41 24.740 35.599 -14.358 1.00 21.99 N ATOM 236 CA ARG A 41 25.244 36.633 -15.241 1.00 22.79 C ATOM 237 C ARG A 41 25.071 38.018 -14.702 1.00 24.14 C ATOM 238 O ARG A 41 26.032 38.804 -14.764 1.00 25.11 O ATOM 239 CB ARG A 41 24.642 36.465 -16.640 1.00 23.48 C ATOM 240 CG ARG A 41 25.179 35.184 -17.280 1.00 27.78 C ATOM 241 CD ARG A 41 24.901 35.010 -18.743 1.00 33.27 C ATOM 242 NE ARG A 41 23.486 35.230 -19.066 1.00 39.35 N ATOM 243 CZ ARG A 41 22.521 34.302 -18.999 1.00 37.58 C ATOM 244 NH1 ARG A 41 22.784 33.064 -18.648 1.00 35.62 N ATOM 245 NH2 ARG A 41 21.290 34.622 -19.339 1.00 36.26 N ATOM 0 H ARG A 41 24.096 35.133 -14.686 1.00 21.99 H new ATOM 0 HA ARG A 41 26.205 36.517 -15.304 1.00 22.79 H new ATOM 0 HB2 ARG A 41 23.674 36.428 -16.583 1.00 23.48 H new ATOM 0 HB3 ARG A 41 24.865 37.231 -17.192 1.00 23.48 H new ATOM 0 HG2 ARG A 41 26.139 35.155 -17.146 1.00 27.78 H new ATOM 0 HG3 ARG A 41 24.804 34.425 -16.806 1.00 27.78 H new ATOM 0 HD2 ARG A 41 25.448 35.630 -19.251 1.00 33.27 H new ATOM 0 HD3 ARG A 41 25.159 34.115 -19.016 1.00 33.27 H new ATOM 0 HE ARG A 41 23.257 36.019 -19.319 1.00 39.35 H new ATOM 0 HH11 ARG A 41 23.590 32.834 -18.455 1.00 35.62 H new ATOM 0 HH12 ARG A 41 22.150 32.484 -18.611 1.00 35.62 H new ATOM 0 HH21 ARG A 41 21.110 35.421 -19.601 1.00 36.26 H new ATOM 0 HH22 ARG A 41 20.666 34.032 -19.299 1.00 36.26 H new ATOM 246 N ALA A 42 23.908 38.318 -14.101 1.00 21.83 N ATOM 247 CA ALA A 42 23.672 39.616 -13.446 1.00 21.75 C ATOM 248 C ALA A 42 24.457 39.750 -12.127 1.00 20.28 C ATOM 249 O ALA A 42 24.574 40.805 -11.574 1.00 20.38 O ATOM 250 CB ALA A 42 22.171 39.795 -13.194 1.00 21.19 C ATOM 0 H ALA A 42 23.239 37.779 -14.062 1.00 21.83 H new ATOM 0 HA ALA A 42 23.991 40.314 -14.039 1.00 21.75 H new ATOM 0 HB1 ALA A 42 22.015 40.650 -12.763 1.00 21.19 H new ATOM 0 HB2 ALA A 42 21.695 39.768 -14.039 1.00 21.19 H new ATOM 0 HB3 ALA A 42 21.851 39.081 -12.621 1.00 21.19 H new ATOM 251 N ARG A 43 25.002 38.645 -11.613 1.00 20.57 N ATOM 252 CA ARG A 43 25.572 38.653 -10.290 1.00 18.88 C ATOM 253 C ARG A 43 24.523 39.215 -9.301 1.00 17.69 C ATOM 254 O ARG A 43 24.769 40.137 -8.503 1.00 18.63 O ATOM 255 CB ARG A 43 26.861 39.495 -10.180 1.00 20.34 C ATOM 256 CG ARG A 43 27.951 39.107 -11.123 1.00 26.63 C ATOM 257 CD ARG A 43 28.626 37.926 -10.783 1.00 36.55 C ATOM 258 NE ARG A 43 29.498 37.506 -11.900 1.00 43.55 N ATOM 259 CZ ARG A 43 30.763 37.868 -12.074 1.00 50.42 C ATOM 260 NH1 ARG A 43 31.381 38.719 -11.232 1.00 50.54 N ATOM 261 NH2 ARG A 43 31.413 37.378 -13.143 1.00 52.50 N ATOM 0 H ARG A 43 25.046 37.889 -12.021 1.00 20.57 H new ATOM 0 HA ARG A 43 25.814 37.738 -10.079 1.00 18.88 H new ATOM 0 HB2 ARG A 43 26.637 40.426 -10.332 1.00 20.34 H new ATOM 0 HB3 ARG A 43 27.198 39.429 -9.273 1.00 20.34 H new ATOM 0 HG2 ARG A 43 27.573 39.005 -12.011 1.00 26.63 H new ATOM 0 HG3 ARG A 43 28.595 39.831 -11.170 1.00 26.63 H new ATOM 0 HD2 ARG A 43 29.156 38.066 -9.983 1.00 36.55 H new ATOM 0 HD3 ARG A 43 27.987 37.225 -10.580 1.00 36.55 H new ATOM 0 HE ARG A 43 29.156 36.981 -12.489 1.00 43.55 H new ATOM 0 HH11 ARG A 43 30.955 39.044 -10.559 1.00 50.54 H new ATOM 0 HH12 ARG A 43 32.202 38.938 -11.367 1.00 50.54 H new ATOM 0 HH21 ARG A 43 31.008 36.849 -13.687 1.00 52.50 H new ATOM 0 HH22 ARG A 43 32.234 37.594 -13.283 1.00 52.50 H new ATOM 262 N ALA A 44 23.352 38.630 -9.328 1.00 16.34 N ATOM 263 CA ALA A 44 22.291 39.041 -8.428 1.00 15.92 C ATOM 264 C ALA A 44 21.430 37.790 -8.060 1.00 16.58 C ATOM 265 O ALA A 44 21.872 36.637 -8.294 1.00 17.17 O ATOM 266 CB ALA A 44 21.485 40.090 -9.113 1.00 16.22 C ATOM 0 H ALA A 44 23.143 37.988 -9.861 1.00 16.34 H new ATOM 0 HA ALA A 44 22.643 39.412 -7.604 1.00 15.92 H new ATOM 0 HB1 ALA A 44 20.768 40.381 -8.528 1.00 16.22 H new ATOM 0 HB2 ALA A 44 22.053 40.846 -9.328 1.00 16.22 H new ATOM 0 HB3 ALA A 44 21.109 39.727 -9.930 1.00 16.22 H new ATOM 267 N TYR A 45 20.327 37.984 -7.349 1.00 15.61 N ATOM 268 CA TYR A 45 19.453 36.882 -6.961 1.00 13.92 C ATOM 269 C TYR A 45 18.100 37.096 -7.658 1.00 14.76 C ATOM 270 O TYR A 45 17.665 38.214 -7.783 1.00 15.05 O ATOM 271 CB TYR A 45 19.228 36.844 -5.445 1.00 13.42 C ATOM 272 CG TYR A 45 20.375 36.299 -4.633 1.00 14.34 C ATOM 273 CD1 TYR A 45 20.325 35.014 -4.076 1.00 14.43 C ATOM 274 CD2 TYR A 45 21.543 37.046 -4.428 1.00 14.06 C ATOM 275 CE1 TYR A 45 21.353 34.519 -3.298 1.00 13.86 C ATOM 276 CE2 TYR A 45 22.550 36.520 -3.708 1.00 13.41 C ATOM 277 CZ TYR A 45 22.465 35.293 -3.112 1.00 12.33 C ATOM 278 OH TYR A 45 23.486 34.774 -2.325 1.00 13.68 O ATOM 0 H TYR A 45 20.063 38.756 -7.078 1.00 15.61 H new ATOM 0 HA TYR A 45 19.866 36.043 -7.221 1.00 13.92 H new ATOM 0 HB2 TYR A 45 19.035 37.744 -5.140 1.00 13.42 H new ATOM 0 HB3 TYR A 45 18.440 36.308 -5.264 1.00 13.42 H new ATOM 0 HD1 TYR A 45 19.580 34.481 -4.234 1.00 14.43 H new ATOM 0 HD2 TYR A 45 21.621 37.900 -4.788 1.00 14.06 H new ATOM 0 HE1 TYR A 45 21.290 33.677 -2.909 1.00 13.86 H new ATOM 0 HE2 TYR A 45 23.334 37.010 -3.612 1.00 13.41 H new ATOM 0 HH TYR A 45 24.158 35.275 -2.371 1.00 13.68 H new ATOM 279 N TYR A 46 17.484 36.004 -8.049 1.00 14.94 N ATOM 280 CA TYR A 46 16.099 35.944 -8.628 1.00 15.76 C ATOM 281 C TYR A 46 15.950 36.999 -9.696 1.00 17.08 C ATOM 282 O TYR A 46 15.014 37.814 -9.675 1.00 17.73 O ATOM 283 CB TYR A 46 15.017 35.989 -7.506 1.00 16.56 C ATOM 284 CG TYR A 46 15.235 34.987 -6.402 1.00 14.27 C ATOM 285 CD1 TYR A 46 14.834 33.657 -6.547 1.00 13.19 C ATOM 286 CD2 TYR A 46 15.876 35.343 -5.234 1.00 14.89 C ATOM 287 CE1 TYR A 46 15.038 32.754 -5.554 1.00 14.60 C ATOM 288 CE2 TYR A 46 16.099 34.440 -4.191 1.00 11.05 C ATOM 289 CZ TYR A 46 15.688 33.099 -4.372 1.00 12.53 C ATOM 290 OH TYR A 46 15.928 32.122 -3.438 1.00 15.98 O ATOM 0 H TYR A 46 17.853 35.229 -7.994 1.00 14.94 H new ATOM 0 HA TYR A 46 15.956 35.092 -9.068 1.00 15.76 H new ATOM 0 HB2 TYR A 46 14.999 36.880 -7.123 1.00 16.56 H new ATOM 0 HB3 TYR A 46 14.146 35.834 -7.903 1.00 16.56 H new ATOM 0 HD1 TYR A 46 14.421 33.386 -7.335 1.00 13.19 H new ATOM 0 HD2 TYR A 46 16.172 36.219 -5.137 1.00 14.89 H new ATOM 0 HE1 TYR A 46 14.736 31.882 -5.666 1.00 14.60 H new ATOM 0 HE2 TYR A 46 16.506 34.713 -3.401 1.00 11.05 H new ATOM 0 HH TYR A 46 16.607 32.326 -2.987 1.00 15.98 H new ATOM 291 N ALA A 47 16.895 36.986 -10.650 1.00 18.21 N ATOM 292 CA ALA A 47 16.999 38.079 -11.622 1.00 19.36 C ATOM 293 C ALA A 47 16.170 37.831 -12.903 1.00 21.58 C ATOM 294 O ALA A 47 16.022 38.755 -13.706 1.00 21.80 O ATOM 295 CB ALA A 47 18.454 38.387 -11.981 1.00 18.40 C ATOM 0 H ALA A 47 17.477 36.360 -10.748 1.00 18.21 H new ATOM 0 HA ALA A 47 16.620 38.855 -11.181 1.00 19.36 H new ATOM 0 HB1 ALA A 47 18.482 39.113 -12.624 1.00 18.40 H new ATOM 0 HB2 ALA A 47 18.937 38.646 -11.181 1.00 18.40 H new ATOM 0 HB3 ALA A 47 18.866 37.598 -12.366 1.00 18.40 H new ATOM 296 N ASN A 48 15.664 36.609 -13.090 1.00 20.55 N ATOM 297 CA ASN A 48 14.772 36.299 -14.191 1.00 21.33 C ATOM 298 C ASN A 48 13.592 37.214 -13.983 1.00 20.88 C ATOM 299 O ASN A 48 12.949 37.168 -12.973 1.00 21.33 O ATOM 300 CB ASN A 48 14.358 34.837 -14.184 1.00 21.46 C ATOM 301 CG ASN A 48 13.465 34.442 -15.388 1.00 22.71 C ATOM 302 OD1 ASN A 48 12.677 35.221 -15.800 1.00 28.80 O ATOM 303 ND2 ASN A 48 13.624 33.205 -15.915 1.00 25.73 N ATOM 0 H ASN A 48 15.833 35.940 -12.577 1.00 20.55 H new ATOM 0 HA ASN A 48 15.193 36.434 -15.054 1.00 21.33 H new ATOM 0 HB2 ASN A 48 15.154 34.283 -14.185 1.00 21.46 H new ATOM 0 HB3 ASN A 48 13.881 34.647 -13.361 1.00 21.46 H new ATOM 0 HD21 ASN A 48 13.139 32.955 -16.580 1.00 25.73 H new ATOM 0 HD22 ASN A 48 14.210 32.669 -15.585 1.00 25.73 H new ATOM 304 N PRO A 49 13.298 38.081 -14.935 1.00 23.41 N ATOM 305 CA PRO A 49 12.217 39.034 -14.751 1.00 24.03 C ATOM 306 C PRO A 49 10.820 38.380 -14.510 1.00 23.45 C ATOM 307 O PRO A 49 9.975 39.027 -13.947 1.00 24.96 O ATOM 308 CB PRO A 49 12.202 39.829 -16.077 1.00 24.76 C ATOM 309 CG PRO A 49 13.575 39.630 -16.649 1.00 27.17 C ATOM 310 CD PRO A 49 13.947 38.180 -16.271 1.00 23.58 C ATOM 0 HA PRO A 49 12.370 39.570 -13.957 1.00 24.03 H new ATOM 0 HB2 PRO A 49 11.517 39.499 -16.679 1.00 24.76 H new ATOM 0 HB3 PRO A 49 12.016 40.769 -15.924 1.00 24.76 H new ATOM 0 HG2 PRO A 49 13.578 39.756 -17.611 1.00 27.17 H new ATOM 0 HG3 PRO A 49 14.207 40.265 -16.278 1.00 27.17 H new ATOM 0 HD2 PRO A 49 13.597 37.532 -16.902 1.00 23.58 H new ATOM 0 HD3 PRO A 49 14.906 38.043 -16.227 1.00 23.58 H new ATOM 311 N GLU A 50 10.616 37.146 -14.926 1.00 23.32 N ATOM 312 CA GLU A 50 9.379 36.393 -14.655 1.00 22.85 C ATOM 313 C GLU A 50 9.309 35.620 -13.288 1.00 21.64 C ATOM 314 O GLU A 50 8.286 35.074 -12.926 1.00 21.61 O ATOM 315 CB GLU A 50 9.162 35.441 -15.800 1.00 23.64 C ATOM 316 CG GLU A 50 8.803 36.185 -17.061 1.00 27.19 C ATOM 317 CD GLU A 50 8.359 35.246 -18.148 1.00 30.67 C ATOM 318 OE1 GLU A 50 9.107 34.330 -18.518 1.00 27.35 O ATOM 319 OE2 GLU A 50 7.202 35.398 -18.596 1.00 31.68 O ATOM 0 H GLU A 50 11.195 36.703 -15.383 1.00 23.32 H new ATOM 0 HA GLU A 50 8.676 37.056 -14.574 1.00 22.85 H new ATOM 0 HB2 GLU A 50 9.966 34.918 -15.947 1.00 23.64 H new ATOM 0 HB3 GLU A 50 8.454 34.817 -15.576 1.00 23.64 H new ATOM 0 HG2 GLU A 50 8.095 36.821 -16.872 1.00 27.19 H new ATOM 0 HG3 GLU A 50 9.569 36.696 -17.366 1.00 27.19 H new ATOM 320 N ASN A 51 10.428 35.526 -12.592 1.00 19.22 N ATOM 321 CA ASN A 51 10.468 35.031 -11.240 1.00 18.00 C ATOM 322 C ASN A 51 9.744 35.990 -10.336 1.00 18.95 C ATOM 323 O ASN A 51 10.071 37.150 -10.330 1.00 20.99 O ATOM 324 CB ASN A 51 11.941 34.861 -10.758 1.00 16.71 C ATOM 325 CG ASN A 51 12.025 33.997 -9.520 1.00 15.92 C ATOM 326 OD1 ASN A 51 11.478 34.344 -8.505 1.00 17.83 O ATOM 327 ND2 ASN A 51 12.645 32.830 -9.631 1.00 17.31 N ATOM 0 H ASN A 51 11.197 35.753 -12.902 1.00 19.22 H new ATOM 0 HA ASN A 51 10.035 34.163 -11.212 1.00 18.00 H new ATOM 0 HB2 ASN A 51 12.471 34.464 -11.467 1.00 16.71 H new ATOM 0 HB3 ASN A 51 12.324 35.733 -10.572 1.00 16.71 H new ATOM 0 HD21 ASN A 51 12.666 32.289 -8.963 1.00 17.31 H new ATOM 0 HD22 ASN A 51 13.026 32.614 -10.371 1.00 17.31 H new ATOM 328 N LYS A 52 8.860 35.475 -9.477 1.00 19.71 N ATOM 329 CA LYS A 52 7.973 36.290 -8.653 1.00 19.80 C ATOM 330 C LYS A 52 8.589 36.687 -7.300 1.00 18.67 C ATOM 331 O LYS A 52 7.941 37.273 -6.523 1.00 17.27 O ATOM 332 CB LYS A 52 6.725 35.467 -8.333 1.00 22.02 C ATOM 333 CG LYS A 52 5.941 35.136 -9.580 1.00 26.04 C ATOM 334 CD LYS A 52 4.573 34.458 -9.261 1.00 31.12 C ATOM 335 CE LYS A 52 4.633 32.942 -9.338 1.00 35.81 C ATOM 336 NZ LYS A 52 4.593 32.282 -10.703 1.00 36.09 N ATOM 0 H LYS A 52 8.760 34.629 -9.357 1.00 19.71 H new ATOM 0 HA LYS A 52 7.788 37.098 -9.158 1.00 19.80 H new ATOM 0 HB2 LYS A 52 6.984 34.646 -7.886 1.00 22.02 H new ATOM 0 HB3 LYS A 52 6.161 35.960 -7.717 1.00 22.02 H new ATOM 0 HG2 LYS A 52 5.786 35.949 -10.086 1.00 26.04 H new ATOM 0 HG3 LYS A 52 6.467 34.547 -10.143 1.00 26.04 H new ATOM 0 HD2 LYS A 52 4.286 34.721 -8.373 1.00 31.12 H new ATOM 0 HD3 LYS A 52 3.903 34.783 -9.883 1.00 31.12 H new ATOM 0 HE2 LYS A 52 5.448 32.657 -8.897 1.00 35.81 H new ATOM 0 HE3 LYS A 52 3.892 32.591 -8.819 1.00 35.81 H new ATOM 0 HZ1 LYS A 52 4.576 31.398 -10.605 1.00 36.09 H new ATOM 0 HZ2 LYS A 52 3.863 32.546 -11.139 1.00 36.09 H new ATOM 0 HZ3 LYS A 52 5.316 32.515 -11.167 1.00 36.09 H new ATOM 337 N PHE A 53 9.853 36.321 -7.014 1.00 14.72 N ATOM 338 CA PHE A 53 10.433 36.562 -5.719 1.00 13.58 C ATOM 339 C PHE A 53 10.350 38.029 -5.231 1.00 13.65 C ATOM 340 O PHE A 53 9.832 38.303 -4.114 1.00 15.70 O ATOM 341 CB PHE A 53 11.919 36.093 -5.738 1.00 13.47 C ATOM 342 CG PHE A 53 12.628 36.240 -4.424 1.00 12.79 C ATOM 343 CD1 PHE A 53 12.570 35.275 -3.439 1.00 13.46 C ATOM 344 CD2 PHE A 53 13.442 37.354 -4.192 1.00 14.30 C ATOM 345 CE1 PHE A 53 13.252 35.423 -2.242 1.00 16.05 C ATOM 346 CE2 PHE A 53 14.089 37.495 -2.976 1.00 12.67 C ATOM 347 CZ PHE A 53 14.002 36.526 -2.034 1.00 13.63 C ATOM 0 H PHE A 53 10.378 35.931 -7.572 1.00 14.72 H new ATOM 0 HA PHE A 53 9.905 36.053 -5.085 1.00 13.58 H new ATOM 0 HB2 PHE A 53 11.950 35.162 -6.008 1.00 13.47 H new ATOM 0 HB3 PHE A 53 12.399 36.600 -6.411 1.00 13.47 H new ATOM 0 HD1 PHE A 53 12.062 34.509 -3.582 1.00 13.46 H new ATOM 0 HD2 PHE A 53 13.548 37.999 -4.854 1.00 14.30 H new ATOM 0 HE1 PHE A 53 13.193 34.766 -1.586 1.00 16.05 H new ATOM 0 HE2 PHE A 53 14.587 38.261 -2.805 1.00 12.67 H new ATOM 0 HZ PHE A 53 14.465 36.622 -1.233 1.00 13.63 H new ATOM 348 N TRP A 54 10.884 38.964 -5.995 1.00 15.66 N ATOM 349 CA TRP A 54 10.969 40.365 -5.585 1.00 16.79 C ATOM 350 C TRP A 54 9.588 41.023 -5.417 1.00 18.31 C ATOM 351 O TRP A 54 9.330 41.624 -4.410 1.00 19.26 O ATOM 352 CB TRP A 54 11.812 41.183 -6.517 1.00 16.69 C ATOM 353 CG TRP A 54 13.294 40.680 -6.472 1.00 14.83 C ATOM 354 CD1 TRP A 54 13.986 40.144 -7.489 1.00 18.46 C ATOM 355 CD2 TRP A 54 14.214 40.743 -5.341 1.00 15.11 C ATOM 356 NE1 TRP A 54 15.262 39.794 -7.075 1.00 15.94 N ATOM 357 CE2 TRP A 54 15.419 40.130 -5.756 1.00 15.00 C ATOM 358 CE3 TRP A 54 14.105 41.156 -4.012 1.00 15.95 C ATOM 359 CZ2 TRP A 54 16.536 40.059 -4.919 1.00 15.22 C ATOM 360 CZ3 TRP A 54 15.182 41.032 -3.164 1.00 18.92 C ATOM 361 CH2 TRP A 54 16.393 40.473 -3.635 1.00 15.10 C ATOM 0 H TRP A 54 11.212 38.808 -6.775 1.00 15.66 H new ATOM 0 HA TRP A 54 11.400 40.349 -4.716 1.00 16.79 H new ATOM 0 HB2 TRP A 54 11.467 41.117 -7.421 1.00 16.69 H new ATOM 0 HB3 TRP A 54 11.772 42.119 -6.266 1.00 16.69 H new ATOM 0 HD1 TRP A 54 13.656 40.024 -8.350 1.00 18.46 H new ATOM 0 HE1 TRP A 54 15.861 39.424 -7.569 1.00 15.94 H new ATOM 0 HE3 TRP A 54 13.306 41.515 -3.700 1.00 15.95 H new ATOM 0 HZ2 TRP A 54 17.351 39.738 -5.232 1.00 15.22 H new ATOM 0 HZ3 TRP A 54 15.113 41.316 -2.281 1.00 18.92 H new ATOM 0 HH2 TRP A 54 17.110 40.387 -3.049 1.00 15.10 H new ATOM 362 N ARG A 55 8.711 40.729 -6.352 1.00 19.23 N ATOM 363 CA ARG A 55 7.287 41.131 -6.205 1.00 21.88 C ATOM 364 C ARG A 55 6.702 40.529 -4.942 1.00 20.49 C ATOM 365 O ARG A 55 6.008 41.245 -4.238 1.00 21.11 O ATOM 366 CB ARG A 55 6.487 40.677 -7.438 1.00 22.03 C ATOM 367 CG ARG A 55 4.969 41.069 -7.565 1.00 31.86 C ATOM 368 CD ARG A 55 4.478 40.660 -9.016 1.00 38.29 C ATOM 369 NE ARG A 55 5.688 40.296 -9.826 1.00 46.56 N ATOM 370 CZ ARG A 55 5.803 39.269 -10.677 1.00 50.33 C ATOM 371 NH1 ARG A 55 4.758 38.498 -11.004 1.00 50.37 N ATOM 372 NH2 ARG A 55 6.975 39.048 -11.267 1.00 51.83 N ATOM 0 H ARG A 55 8.895 40.304 -7.077 1.00 19.23 H new ATOM 0 HA ARG A 55 7.235 42.097 -6.137 1.00 21.88 H new ATOM 0 HB2 ARG A 55 6.942 41.021 -8.222 1.00 22.03 H new ATOM 0 HB3 ARG A 55 6.542 39.709 -7.480 1.00 22.03 H new ATOM 0 HG2 ARG A 55 4.443 40.614 -6.888 1.00 31.86 H new ATOM 0 HG3 ARG A 55 4.851 42.021 -7.423 1.00 31.86 H new ATOM 0 HD2 ARG A 55 3.863 39.911 -8.968 1.00 38.29 H new ATOM 0 HD3 ARG A 55 3.999 41.394 -9.432 1.00 38.29 H new ATOM 0 HE ARG A 55 6.379 40.799 -9.734 1.00 46.56 H new ATOM 0 HH11 ARG A 55 3.984 38.656 -10.664 1.00 50.37 H new ATOM 0 HH12 ARG A 55 4.861 37.845 -11.554 1.00 50.37 H new ATOM 0 HH21 ARG A 55 7.644 39.561 -11.099 1.00 51.83 H new ATOM 0 HH22 ARG A 55 7.063 38.392 -11.816 1.00 51.83 H new ATOM 373 N THR A 56 6.931 39.243 -4.648 1.00 17.58 N ATOM 374 CA THR A 56 6.376 38.591 -3.508 1.00 18.46 C ATOM 375 C THR A 56 6.846 39.181 -2.189 1.00 19.40 C ATOM 376 O THR A 56 6.045 39.480 -1.270 1.00 20.19 O ATOM 377 CB THR A 56 6.617 37.003 -3.550 1.00 16.77 C ATOM 378 OG1 THR A 56 6.038 36.421 -4.746 1.00 19.92 O ATOM 379 CG2 THR A 56 5.977 36.309 -2.401 1.00 19.05 C ATOM 0 H THR A 56 7.427 38.732 -5.130 1.00 17.58 H new ATOM 0 HA THR A 56 5.421 38.752 -3.556 1.00 18.46 H new ATOM 0 HB THR A 56 7.579 36.885 -3.525 1.00 16.77 H new ATOM 0 HG1 THR A 56 6.523 36.601 -5.408 1.00 19.92 H new ATOM 0 HG21 THR A 56 6.146 35.356 -2.464 1.00 19.05 H new ATOM 0 HG22 THR A 56 6.347 36.648 -1.571 1.00 19.05 H new ATOM 0 HG23 THR A 56 5.021 36.469 -2.418 1.00 19.05 H new ATOM 380 N LEU A 57 8.168 39.376 -2.043 1.00 17.98 N ATOM 381 CA LEU A 57 8.617 40.019 -0.847 1.00 18.63 C ATOM 382 C LEU A 57 7.888 41.344 -0.604 1.00 18.75 C ATOM 383 O LEU A 57 7.628 41.642 0.571 1.00 20.60 O ATOM 384 CB LEU A 57 10.123 40.347 -0.909 1.00 18.31 C ATOM 385 CG LEU A 57 11.129 39.234 -1.004 1.00 23.20 C ATOM 386 CD1 LEU A 57 12.511 39.701 -0.622 1.00 19.37 C ATOM 387 CD2 LEU A 57 10.849 37.992 -0.360 1.00 23.96 C ATOM 0 H LEU A 57 8.778 39.149 -2.606 1.00 17.98 H new ATOM 0 HA LEU A 57 8.431 39.392 -0.131 1.00 18.63 H new ATOM 0 HB2 LEU A 57 10.261 40.927 -1.674 1.00 18.31 H new ATOM 0 HB3 LEU A 57 10.339 40.865 -0.118 1.00 18.31 H new ATOM 0 HG LEU A 57 11.066 39.014 -1.947 1.00 23.20 H new ATOM 0 HD11 LEU A 57 13.134 38.961 -0.694 1.00 19.37 H new ATOM 0 HD12 LEU A 57 12.788 40.415 -1.217 1.00 19.37 H new ATOM 0 HD13 LEU A 57 12.501 40.028 0.291 1.00 19.37 H new ATOM 0 HD21 LEU A 57 11.584 37.377 -0.509 1.00 23.96 H new ATOM 0 HD22 LEU A 57 10.738 38.139 0.592 1.00 23.96 H new ATOM 0 HD23 LEU A 57 10.034 37.614 -0.725 1.00 23.96 H new ATOM 388 N HIS A 58 7.623 42.119 -1.632 1.00 21.28 N ATOM 389 CA HIS A 58 6.918 43.431 -1.466 1.00 22.97 C ATOM 390 C HIS A 58 5.466 43.126 -1.085 1.00 24.53 C ATOM 391 O HIS A 58 4.941 43.668 -0.107 1.00 23.78 O ATOM 392 CB HIS A 58 6.962 44.254 -2.696 1.00 24.37 C ATOM 393 CG HIS A 58 6.268 45.593 -2.575 1.00 26.91 C ATOM 394 ND1 HIS A 58 5.694 46.224 -3.656 1.00 31.47 N ATOM 395 CD2 HIS A 58 6.066 46.402 -1.509 1.00 29.85 C ATOM 396 CE1 HIS A 58 5.178 47.379 -3.264 1.00 29.33 C ATOM 397 NE2 HIS A 58 5.367 47.500 -1.963 1.00 29.53 N ATOM 0 H HIS A 58 7.832 41.928 -2.444 1.00 21.28 H new ATOM 0 HA HIS A 58 7.364 43.947 -0.776 1.00 22.97 H new ATOM 0 HB2 HIS A 58 7.889 44.403 -2.940 1.00 24.37 H new ATOM 0 HB3 HIS A 58 6.555 43.755 -3.421 1.00 24.37 H new ATOM 0 HD2 HIS A 58 6.346 46.247 -0.636 1.00 29.85 H new ATOM 0 HE1 HIS A 58 4.754 47.999 -3.812 1.00 29.33 H new ATOM 0 HE2 HIS A 58 5.098 48.157 -1.478 1.00 29.53 H new ATOM 398 N ALA A 59 4.864 42.220 -1.837 1.00 25.00 N ATOM 399 CA ALA A 59 3.433 41.845 -1.624 1.00 26.60 C ATOM 400 C ALA A 59 3.139 41.472 -0.182 1.00 26.53 C ATOM 401 O ALA A 59 2.081 41.883 0.345 1.00 27.23 O ATOM 402 CB ALA A 59 3.041 40.718 -2.510 1.00 26.27 C ATOM 0 H ALA A 59 5.249 41.799 -2.481 1.00 25.00 H new ATOM 0 HA ALA A 59 2.910 42.632 -1.845 1.00 26.60 H new ATOM 0 HB1 ALA A 59 2.110 40.492 -2.355 1.00 26.27 H new ATOM 0 HB2 ALA A 59 3.160 40.978 -3.437 1.00 26.27 H new ATOM 0 HB3 ALA A 59 3.597 39.947 -2.318 1.00 26.27 H new ATOM 403 N VAL A 60 4.039 40.729 0.473 1.00 25.10 N ATOM 404 CA VAL A 60 3.852 40.202 1.822 1.00 24.04 C ATOM 405 C VAL A 60 4.478 41.050 2.936 1.00 25.15 C ATOM 406 O VAL A 60 4.416 40.658 4.114 1.00 25.29 O ATOM 407 CB VAL A 60 4.242 38.692 1.985 1.00 24.17 C ATOM 408 CG1 VAL A 60 3.501 37.780 0.973 1.00 24.09 C ATOM 409 CG2 VAL A 60 5.820 38.440 1.907 1.00 24.15 C ATOM 0 H VAL A 60 4.798 40.514 0.130 1.00 25.10 H new ATOM 0 HA VAL A 60 2.891 40.262 1.936 1.00 24.04 H new ATOM 0 HB VAL A 60 3.954 38.451 2.879 1.00 24.17 H new ATOM 0 HG11 VAL A 60 3.771 36.858 1.109 1.00 24.09 H new ATOM 0 HG12 VAL A 60 2.544 37.859 1.107 1.00 24.09 H new ATOM 0 HG13 VAL A 60 3.724 38.052 0.069 1.00 24.09 H new ATOM 0 HG21 VAL A 60 6.002 37.493 2.014 1.00 24.15 H new ATOM 0 HG22 VAL A 60 6.153 38.738 1.046 1.00 24.15 H new ATOM 0 HG23 VAL A 60 6.262 38.936 2.614 1.00 24.15 H new ATOM 410 N GLY A 61 5.010 42.199 2.527 1.00 26.33 N ATOM 411 CA GLY A 61 5.544 43.215 3.430 1.00 28.56 C ATOM 412 C GLY A 61 6.858 42.767 4.065 1.00 28.30 C ATOM 413 O GLY A 61 7.181 43.179 5.187 1.00 29.18 O ATOM 0 H GLY A 61 5.072 42.414 1.697 1.00 26.33 H new ATOM 0 HA2 GLY A 61 5.685 44.041 2.942 1.00 28.56 H new ATOM 0 HA3 GLY A 61 4.895 43.404 4.126 1.00 28.56 H new ATOM 414 N LEU A 62 7.576 41.827 3.422 1.00 26.96 N ATOM 415 CA LEU A 62 8.962 41.546 3.881 1.00 26.78 C ATOM 416 C LEU A 62 9.851 42.718 3.510 1.00 27.04 C ATOM 417 O LEU A 62 10.842 43.003 4.198 1.00 28.98 O ATOM 418 CB LEU A 62 9.508 40.223 3.316 1.00 25.46 C ATOM 419 CG LEU A 62 8.985 38.943 3.924 1.00 22.29 C ATOM 420 CD1 LEU A 62 9.418 37.674 3.207 1.00 23.07 C ATOM 421 CD2 LEU A 62 9.387 38.883 5.387 1.00 29.33 C ATOM 0 H LEU A 62 7.302 41.361 2.753 1.00 26.96 H new ATOM 0 HA LEU A 62 8.953 41.439 4.845 1.00 26.78 H new ATOM 0 HB2 LEU A 62 9.320 40.202 2.365 1.00 25.46 H new ATOM 0 HB3 LEU A 62 10.473 40.230 3.414 1.00 25.46 H new ATOM 0 HG LEU A 62 8.020 38.972 3.828 1.00 22.29 H new ATOM 0 HD11 LEU A 62 9.041 36.902 3.659 1.00 23.07 H new ATOM 0 HD12 LEU A 62 9.103 37.697 2.290 1.00 23.07 H new ATOM 0 HD13 LEU A 62 10.386 37.612 3.215 1.00 23.07 H new ATOM 0 HD21 LEU A 62 9.053 38.062 5.781 1.00 29.33 H new ATOM 0 HD22 LEU A 62 10.354 38.905 5.458 1.00 29.33 H new ATOM 0 HD23 LEU A 62 9.011 39.643 5.858 1.00 29.33 H new ATOM 422 N THR A 63 9.543 43.389 2.420 1.00 27.91 N ATOM 423 CA THR A 63 10.187 44.627 2.036 1.00 28.51 C ATOM 424 C THR A 63 9.067 45.646 1.825 1.00 30.91 C ATOM 425 O THR A 63 7.987 45.264 1.403 1.00 30.58 O ATOM 426 CB THR A 63 11.071 44.535 0.731 1.00 27.00 C ATOM 427 OG1 THR A 63 10.312 44.267 -0.484 1.00 28.02 O ATOM 428 CG2 THR A 63 12.140 43.443 0.856 1.00 22.17 C ATOM 0 H THR A 63 8.937 43.131 1.867 1.00 27.91 H new ATOM 0 HA THR A 63 10.808 44.875 2.739 1.00 28.51 H new ATOM 0 HB THR A 63 11.473 45.414 0.653 1.00 27.00 H new ATOM 0 HG1 THR A 63 10.222 44.979 -0.921 1.00 28.02 H new ATOM 0 HG21 THR A 63 12.666 43.410 0.042 1.00 22.17 H new ATOM 0 HG22 THR A 63 12.720 43.642 1.607 1.00 22.17 H new ATOM 0 HG23 THR A 63 11.711 42.585 0.998 1.00 22.17 H new ATOM 429 N PRO A 64 9.336 46.933 2.075 1.00 33.78 N ATOM 430 CA PRO A 64 8.344 48.019 1.782 1.00 33.82 C ATOM 431 C PRO A 64 8.206 48.538 0.332 1.00 33.89 C ATOM 432 O PRO A 64 7.229 49.271 0.051 1.00 35.19 O ATOM 433 CB PRO A 64 8.815 49.148 2.684 1.00 34.43 C ATOM 434 CG PRO A 64 10.372 49.003 2.644 1.00 34.27 C ATOM 435 CD PRO A 64 10.552 47.459 2.753 1.00 33.29 C ATOM 0 HA PRO A 64 7.455 47.662 1.932 1.00 33.82 H new ATOM 0 HB2 PRO A 64 8.526 50.014 2.356 1.00 34.43 H new ATOM 0 HB3 PRO A 64 8.469 49.056 3.585 1.00 34.43 H new ATOM 0 HG2 PRO A 64 10.749 49.356 1.823 1.00 34.27 H new ATOM 0 HG3 PRO A 64 10.800 49.472 3.377 1.00 34.27 H new ATOM 0 HD2 PRO A 64 11.365 47.160 2.316 1.00 33.29 H new ATOM 0 HD3 PRO A 64 10.603 47.167 3.677 1.00 33.29 H new ATOM 436 N ARG A 65 9.158 48.239 -0.553 1.00 31.90 N ATOM 437 CA ARG A 65 9.116 48.525 -1.995 1.00 32.31 C ATOM 438 C ARG A 65 9.527 47.212 -2.676 1.00 30.22 C ATOM 439 O ARG A 65 10.009 46.326 -1.999 1.00 31.68 O ATOM 440 CB ARG A 65 10.165 49.584 -2.386 1.00 33.52 C ATOM 441 CG ARG A 65 9.689 51.002 -2.437 1.00 37.70 C ATOM 442 CD ARG A 65 10.838 52.053 -2.776 1.00 41.20 C ATOM 443 NE ARG A 65 12.177 51.432 -2.817 1.00 44.59 N ATOM 444 CZ ARG A 65 12.908 51.248 -3.911 1.00 46.15 C ATOM 445 NH1 ARG A 65 12.452 51.632 -5.101 1.00 46.73 N ATOM 446 NH2 ARG A 65 14.117 50.679 -3.812 1.00 46.52 N ATOM 0 H ARG A 65 9.885 47.843 -0.319 1.00 31.90 H new ATOM 0 HA ARG A 65 8.238 48.851 -2.249 1.00 32.31 H new ATOM 0 HB2 ARG A 65 10.900 49.532 -1.755 1.00 33.52 H new ATOM 0 HB3 ARG A 65 10.522 49.351 -3.257 1.00 33.52 H new ATOM 0 HG2 ARG A 65 8.988 51.075 -3.103 1.00 37.70 H new ATOM 0 HG3 ARG A 65 9.293 51.233 -1.582 1.00 37.70 H new ATOM 0 HD2 ARG A 65 10.651 52.468 -3.633 1.00 41.20 H new ATOM 0 HD3 ARG A 65 10.832 52.760 -2.111 1.00 41.20 H new ATOM 0 HE ARG A 65 12.512 51.167 -2.070 1.00 44.59 H new ATOM 0 HH11 ARG A 65 11.679 52.002 -5.166 1.00 46.73 H new ATOM 0 HH12 ARG A 65 12.931 51.510 -5.805 1.00 46.73 H new ATOM 0 HH21 ARG A 65 14.416 50.435 -3.043 1.00 46.52 H new ATOM 0 HH22 ARG A 65 14.594 50.558 -4.517 1.00 46.52 H new ATOM 447 N GLN A 66 9.328 47.109 -3.972 1.00 29.69 N ATOM 448 CA GLN A 66 9.796 45.990 -4.748 1.00 29.01 C ATOM 449 C GLN A 66 11.235 46.303 -5.122 1.00 26.84 C ATOM 450 O GLN A 66 11.484 47.222 -5.907 1.00 26.42 O ATOM 451 CB GLN A 66 8.999 45.776 -6.041 1.00 29.34 C ATOM 452 CG GLN A 66 9.430 44.499 -6.807 1.00 30.02 C ATOM 453 CD GLN A 66 8.618 44.163 -8.049 1.00 29.15 C ATOM 454 OE1 GLN A 66 7.394 44.266 -8.042 1.00 34.47 O ATOM 455 NE2 GLN A 66 9.282 43.694 -9.096 1.00 32.48 N ATOM 0 H GLN A 66 8.908 47.701 -4.434 1.00 29.69 H new ATOM 0 HA GLN A 66 9.698 45.182 -4.221 1.00 29.01 H new ATOM 0 HB2 GLN A 66 8.055 45.717 -5.828 1.00 29.34 H new ATOM 0 HB3 GLN A 66 9.112 46.548 -6.618 1.00 29.34 H new ATOM 0 HG2 GLN A 66 10.360 44.597 -7.066 1.00 30.02 H new ATOM 0 HG3 GLN A 66 9.383 43.746 -6.197 1.00 30.02 H new ATOM 0 HE21 GLN A 66 10.140 43.634 -9.070 1.00 32.48 H new ATOM 0 HE22 GLN A 66 8.855 43.450 -9.802 1.00 32.48 H new ATOM 456 N LEU A 67 12.171 45.507 -4.639 1.00 24.89 N ATOM 457 CA LEU A 67 13.532 45.767 -5.031 1.00 24.47 C ATOM 458 C LEU A 67 13.731 45.276 -6.442 1.00 24.18 C ATOM 459 O LEU A 67 13.035 44.333 -6.902 1.00 22.63 O ATOM 460 CB LEU A 67 14.524 45.113 -4.070 1.00 24.64 C ATOM 461 CG LEU A 67 14.405 45.130 -2.530 1.00 27.84 C ATOM 462 CD1 LEU A 67 15.726 44.775 -1.899 1.00 25.61 C ATOM 463 CD2 LEU A 67 13.805 46.284 -1.832 1.00 32.80 C ATOM 0 H LEU A 67 12.046 44.842 -4.108 1.00 24.89 H new ATOM 0 HA LEU A 67 13.700 46.722 -4.995 1.00 24.47 H new ATOM 0 HB2 LEU A 67 14.565 44.178 -4.324 1.00 24.64 H new ATOM 0 HB3 LEU A 67 15.389 45.501 -4.275 1.00 24.64 H new ATOM 0 HG LEU A 67 13.718 44.458 -2.398 1.00 27.84 H new ATOM 0 HD11 LEU A 67 15.638 44.789 -0.933 1.00 25.61 H new ATOM 0 HD12 LEU A 67 15.994 43.888 -2.186 1.00 25.61 H new ATOM 0 HD13 LEU A 67 16.398 45.419 -2.171 1.00 25.61 H new ATOM 0 HD21 LEU A 67 13.813 46.123 -0.875 1.00 32.80 H new ATOM 0 HD22 LEU A 67 14.317 47.084 -2.029 1.00 32.80 H new ATOM 0 HD23 LEU A 67 12.890 46.404 -2.132 1.00 32.80 H new ATOM 464 N VAL A 68 14.718 45.850 -7.137 1.00 23.08 N ATOM 465 CA VAL A 68 15.225 45.266 -8.359 1.00 24.14 C ATOM 466 C VAL A 68 16.350 44.279 -7.955 1.00 22.18 C ATOM 467 O VAL A 68 16.918 44.418 -6.868 1.00 19.22 O ATOM 468 CB VAL A 68 15.736 46.290 -9.344 1.00 24.41 C ATOM 469 CG1 VAL A 68 14.610 47.270 -9.771 1.00 29.86 C ATOM 470 CG2 VAL A 68 16.974 47.041 -8.789 1.00 26.93 C ATOM 0 H VAL A 68 15.104 46.584 -6.907 1.00 23.08 H new ATOM 0 HA VAL A 68 14.501 44.814 -8.819 1.00 24.14 H new ATOM 0 HB VAL A 68 16.023 45.816 -10.140 1.00 24.41 H new ATOM 0 HG11 VAL A 68 14.965 47.915 -10.402 1.00 29.86 H new ATOM 0 HG12 VAL A 68 13.889 46.773 -10.188 1.00 29.86 H new ATOM 0 HG13 VAL A 68 14.272 47.735 -8.990 1.00 29.86 H new ATOM 0 HG21 VAL A 68 17.279 47.690 -9.442 1.00 26.93 H new ATOM 0 HG22 VAL A 68 16.734 47.498 -7.967 1.00 26.93 H new ATOM 0 HG23 VAL A 68 17.685 46.406 -8.610 1.00 26.93 H new ATOM 471 N PRO A 69 16.597 43.277 -8.776 1.00 21.25 N ATOM 472 CA PRO A 69 17.549 42.231 -8.401 1.00 20.12 C ATOM 473 C PRO A 69 18.909 42.756 -7.970 1.00 19.38 C ATOM 474 O PRO A 69 19.457 42.202 -7.014 1.00 17.00 O ATOM 475 CB PRO A 69 17.641 41.380 -9.665 1.00 20.32 C ATOM 476 CG PRO A 69 16.205 41.464 -10.244 1.00 20.99 C ATOM 477 CD PRO A 69 15.967 42.947 -10.060 1.00 22.03 C ATOM 0 HA PRO A 69 17.252 41.740 -7.619 1.00 20.12 H new ATOM 0 HB2 PRO A 69 18.300 41.728 -10.286 1.00 20.32 H new ATOM 0 HB3 PRO A 69 17.895 40.465 -9.465 1.00 20.32 H new ATOM 0 HG2 PRO A 69 16.158 41.189 -11.173 1.00 20.99 H new ATOM 0 HG3 PRO A 69 15.570 40.918 -9.754 1.00 20.99 H new ATOM 0 HD2 PRO A 69 16.359 43.458 -10.785 1.00 22.03 H new ATOM 0 HD3 PRO A 69 15.019 43.152 -10.049 1.00 22.03 H new ATOM 478 N GLN A 70 19.372 43.829 -8.595 1.00 17.05 N ATOM 479 CA GLN A 70 20.718 44.401 -8.223 1.00 18.33 C ATOM 480 C GLN A 70 20.768 45.037 -6.804 1.00 17.88 C ATOM 481 O GLN A 70 21.861 45.379 -6.296 1.00 20.33 O ATOM 482 CB GLN A 70 21.205 45.323 -9.308 1.00 19.76 C ATOM 483 CG GLN A 70 21.823 44.499 -10.506 1.00 24.75 C ATOM 484 CD GLN A 70 22.103 45.277 -11.806 1.00 35.31 C ATOM 485 OE1 GLN A 70 23.246 45.743 -12.036 1.00 44.15 O ATOM 486 NE2 GLN A 70 21.116 45.345 -12.689 1.00 38.98 N ATOM 0 H GLN A 70 18.957 44.248 -9.221 1.00 17.05 H new ATOM 0 HA GLN A 70 21.338 43.658 -8.159 1.00 18.33 H new ATOM 0 HB2 GLN A 70 20.470 45.868 -9.630 1.00 19.76 H new ATOM 0 HB3 GLN A 70 21.872 45.929 -8.949 1.00 19.76 H new ATOM 0 HG2 GLN A 70 22.656 44.103 -10.204 1.00 24.75 H new ATOM 0 HG3 GLN A 70 21.220 43.768 -10.714 1.00 24.75 H new ATOM 0 HE21 GLN A 70 20.345 45.015 -12.498 1.00 38.98 H new ATOM 0 HE22 GLN A 70 21.247 45.719 -13.452 1.00 38.98 H new ATOM 487 N GLU A 71 19.600 45.215 -6.167 1.00 18.37 N ATOM 488 CA GLU A 71 19.494 45.735 -4.817 1.00 17.31 C ATOM 489 C GLU A 71 19.498 44.654 -3.739 1.00 15.24 C ATOM 490 O GLU A 71 19.329 44.976 -2.608 1.00 15.79 O ATOM 491 CB GLU A 71 18.283 46.681 -4.689 1.00 18.60 C ATOM 492 CG GLU A 71 18.413 47.987 -5.486 1.00 17.53 C ATOM 493 CD GLU A 71 17.126 48.798 -5.551 1.00 27.26 C ATOM 494 OE1 GLU A 71 16.036 48.201 -5.544 1.00 24.69 O ATOM 495 OE2 GLU A 71 17.217 50.047 -5.592 1.00 22.87 O ATOM 0 H GLU A 71 18.840 45.030 -6.524 1.00 18.37 H new ATOM 0 HA GLU A 71 20.300 46.250 -4.656 1.00 17.31 H new ATOM 0 HB2 GLU A 71 17.487 46.212 -4.985 1.00 18.60 H new ATOM 0 HB3 GLU A 71 18.153 46.898 -3.752 1.00 18.60 H new ATOM 0 HG2 GLU A 71 19.109 48.532 -5.086 1.00 17.53 H new ATOM 0 HG3 GLU A 71 18.700 47.778 -6.389 1.00 17.53 H new ATOM 496 N TYR A 72 19.797 43.402 -4.110 1.00 15.45 N ATOM 497 CA TYR A 72 19.630 42.234 -3.238 1.00 14.50 C ATOM 498 C TYR A 72 20.400 42.380 -1.937 1.00 14.76 C ATOM 499 O TYR A 72 19.947 41.981 -0.886 1.00 15.10 O ATOM 500 CB TYR A 72 19.977 40.947 -3.959 1.00 14.51 C ATOM 501 CG TYR A 72 21.454 40.805 -4.272 1.00 13.94 C ATOM 502 CD1 TYR A 72 22.259 40.189 -3.342 1.00 16.14 C ATOM 503 CD2 TYR A 72 22.044 41.387 -5.366 1.00 17.41 C ATOM 504 CE1 TYR A 72 23.622 40.075 -3.490 1.00 18.48 C ATOM 505 CE2 TYR A 72 23.458 41.251 -5.574 1.00 16.25 C ATOM 506 CZ TYR A 72 24.218 40.572 -4.634 1.00 18.12 C ATOM 507 OH TYR A 72 25.625 40.449 -4.742 1.00 14.51 O ATOM 0 H TYR A 72 20.107 43.207 -4.888 1.00 15.45 H new ATOM 0 HA TYR A 72 18.690 42.186 -3.002 1.00 14.50 H new ATOM 0 HB2 TYR A 72 19.696 40.195 -3.415 1.00 14.51 H new ATOM 0 HB3 TYR A 72 19.473 40.903 -4.787 1.00 14.51 H new ATOM 0 HD1 TYR A 72 21.864 39.834 -2.579 1.00 16.14 H new ATOM 0 HD2 TYR A 72 21.528 41.869 -5.972 1.00 17.41 H new ATOM 0 HE1 TYR A 72 24.135 39.669 -2.829 1.00 18.48 H new ATOM 0 HE2 TYR A 72 23.859 41.614 -6.330 1.00 16.25 H new ATOM 0 HH TYR A 72 25.838 40.367 -5.550 1.00 14.51 H new ATOM 508 N ALA A 73 21.587 43.017 -1.995 1.00 14.40 N ATOM 509 CA ALA A 73 22.441 43.094 -0.849 1.00 14.63 C ATOM 510 C ALA A 73 21.972 44.060 0.196 1.00 12.81 C ATOM 511 O ALA A 73 22.522 44.114 1.267 1.00 14.29 O ATOM 512 CB ALA A 73 23.945 43.365 -1.232 1.00 13.90 C ATOM 0 H ALA A 73 21.895 43.403 -2.699 1.00 14.40 H new ATOM 0 HA ALA A 73 22.389 42.212 -0.449 1.00 14.63 H new ATOM 0 HB1 ALA A 73 24.482 43.409 -0.425 1.00 13.90 H new ATOM 0 HB2 ALA A 73 24.270 42.647 -1.797 1.00 13.90 H new ATOM 0 HB3 ALA A 73 24.011 44.207 -1.709 1.00 13.90 H new ATOM 513 N THR A 74 20.917 44.852 -0.088 1.00 16.66 N ATOM 514 CA THR A 74 20.387 45.790 0.862 1.00 16.81 C ATOM 515 C THR A 74 19.418 45.153 1.817 1.00 16.44 C ATOM 516 O THR A 74 19.019 45.759 2.814 1.00 17.75 O ATOM 517 CB THR A 74 19.660 46.954 0.165 1.00 15.36 C ATOM 518 OG1 THR A 74 18.475 46.497 -0.540 1.00 16.24 O ATOM 519 CG2 THR A 74 20.544 47.661 -0.926 1.00 17.40 C ATOM 0 H THR A 74 20.504 44.844 -0.842 1.00 16.66 H new ATOM 0 HA THR A 74 21.156 46.120 1.353 1.00 16.81 H new ATOM 0 HB THR A 74 19.444 47.568 0.884 1.00 15.36 H new ATOM 0 HG1 THR A 74 18.703 46.020 -1.193 1.00 16.24 H new ATOM 0 HG21 THR A 74 20.040 48.384 -1.332 1.00 17.40 H new ATOM 0 HG22 THR A 74 21.345 48.019 -0.512 1.00 17.40 H new ATOM 0 HG23 THR A 74 20.793 47.018 -1.608 1.00 17.40 H new ATOM 520 N LEU A 75 19.120 43.887 1.599 1.00 17.32 N ATOM 521 CA LEU A 75 18.132 43.266 2.394 1.00 16.31 C ATOM 522 C LEU A 75 18.352 43.299 3.910 1.00 16.51 C ATOM 523 O LEU A 75 17.352 43.279 4.629 1.00 17.32 O ATOM 524 CB LEU A 75 17.865 41.800 1.932 1.00 16.32 C ATOM 525 CG LEU A 75 17.005 41.629 0.685 1.00 16.92 C ATOM 526 CD1 LEU A 75 16.915 40.174 0.247 1.00 15.02 C ATOM 527 CD2 LEU A 75 15.623 42.225 0.873 1.00 21.69 C ATOM 0 H LEU A 75 19.482 43.388 0.999 1.00 17.32 H new ATOM 0 HA LEU A 75 17.351 43.822 2.243 1.00 16.31 H new ATOM 0 HB2 LEU A 75 18.720 41.371 1.773 1.00 16.32 H new ATOM 0 HB3 LEU A 75 17.440 41.324 2.662 1.00 16.32 H new ATOM 0 HG LEU A 75 17.447 42.119 -0.026 1.00 16.92 H new ATOM 0 HD11 LEU A 75 16.361 40.108 -0.547 1.00 15.02 H new ATOM 0 HD12 LEU A 75 17.804 39.840 0.049 1.00 15.02 H new ATOM 0 HD13 LEU A 75 16.523 39.645 0.959 1.00 15.02 H new ATOM 0 HD21 LEU A 75 15.103 42.099 0.064 1.00 21.69 H new ATOM 0 HD22 LEU A 75 15.178 41.784 1.614 1.00 21.69 H new ATOM 0 HD23 LEU A 75 15.702 43.173 1.062 1.00 21.69 H new ATOM 528 N PRO A 76 19.589 43.220 4.426 1.00 16.34 N ATOM 529 CA PRO A 76 19.779 43.256 5.858 1.00 17.46 C ATOM 530 C PRO A 76 19.208 44.488 6.559 1.00 17.85 C ATOM 531 O PRO A 76 18.999 44.404 7.773 1.00 18.30 O ATOM 532 CB PRO A 76 21.300 43.178 6.021 1.00 17.65 C ATOM 533 CG PRO A 76 21.762 42.401 4.865 1.00 18.68 C ATOM 534 CD PRO A 76 20.868 42.880 3.721 1.00 16.67 C ATOM 0 HA PRO A 76 19.294 42.530 6.281 1.00 17.46 H new ATOM 0 HB2 PRO A 76 21.699 44.062 6.033 1.00 17.65 H new ATOM 0 HB3 PRO A 76 21.543 42.746 6.855 1.00 17.65 H new ATOM 0 HG2 PRO A 76 22.699 42.566 4.677 1.00 18.68 H new ATOM 0 HG3 PRO A 76 21.666 41.448 5.016 1.00 18.68 H new ATOM 0 HD2 PRO A 76 21.245 43.650 3.266 1.00 16.67 H new ATOM 0 HD3 PRO A 76 20.738 42.190 3.051 1.00 16.67 H new ATOM 535 N GLN A 77 18.972 45.568 5.844 1.00 18.28 N ATOM 536 CA GLN A 77 18.370 46.753 6.479 1.00 19.45 C ATOM 537 C GLN A 77 16.917 46.424 6.941 1.00 20.34 C ATOM 538 O GLN A 77 16.366 47.103 7.796 1.00 19.31 O ATOM 539 CB GLN A 77 18.448 47.949 5.557 1.00 19.47 C ATOM 540 CG GLN A 77 17.450 47.968 4.402 1.00 19.50 C ATOM 541 CD GLN A 77 17.525 49.143 3.567 1.00 17.48 C ATOM 542 OE1 GLN A 77 17.768 50.310 4.071 1.00 18.73 O ATOM 543 NE2 GLN A 77 17.204 48.946 2.284 1.00 22.75 N ATOM 0 H GLN A 77 19.144 45.649 5.005 1.00 18.28 H new ATOM 0 HA GLN A 77 18.873 46.992 7.273 1.00 19.45 H new ATOM 0 HB2 GLN A 77 18.319 48.752 6.086 1.00 19.47 H new ATOM 0 HB3 GLN A 77 19.344 47.993 5.188 1.00 19.47 H new ATOM 0 HG2 GLN A 77 17.595 47.183 3.851 1.00 19.50 H new ATOM 0 HG3 GLN A 77 16.553 47.898 4.763 1.00 19.50 H new ATOM 0 HE21 GLN A 77 17.051 48.150 1.996 1.00 22.75 H new ATOM 0 HE22 GLN A 77 17.150 49.615 1.747 1.00 22.75 H new ATOM 544 N TYR A 78 16.342 45.349 6.398 1.00 19.09 N ATOM 545 CA TYR A 78 14.983 44.857 6.709 1.00 20.27 C ATOM 546 C TYR A 78 15.035 43.542 7.484 1.00 19.63 C ATOM 547 O TYR A 78 14.016 42.916 7.711 1.00 22.01 O ATOM 548 CB TYR A 78 14.185 44.646 5.407 1.00 19.71 C ATOM 549 CG TYR A 78 14.123 45.864 4.542 1.00 21.90 C ATOM 550 CD1 TYR A 78 13.655 47.056 5.056 1.00 24.31 C ATOM 551 CD2 TYR A 78 14.517 45.833 3.213 1.00 22.91 C ATOM 552 CE1 TYR A 78 13.594 48.190 4.295 1.00 27.83 C ATOM 553 CE2 TYR A 78 14.441 46.979 2.433 1.00 26.41 C ATOM 554 CZ TYR A 78 13.995 48.150 2.975 1.00 29.05 C ATOM 555 OH TYR A 78 13.938 49.331 2.246 1.00 35.24 O ATOM 0 H TYR A 78 16.744 44.863 5.814 1.00 19.09 H new ATOM 0 HA TYR A 78 14.545 45.525 7.259 1.00 20.27 H new ATOM 0 HB2 TYR A 78 14.587 43.921 4.904 1.00 19.71 H new ATOM 0 HB3 TYR A 78 13.282 44.370 5.630 1.00 19.71 H new ATOM 0 HD1 TYR A 78 13.374 47.089 5.942 1.00 24.31 H new ATOM 0 HD2 TYR A 78 14.834 45.041 2.842 1.00 22.91 H new ATOM 0 HE1 TYR A 78 13.284 48.985 4.665 1.00 27.83 H new ATOM 0 HE2 TYR A 78 14.695 46.949 1.539 1.00 26.41 H new ATOM 0 HH TYR A 78 14.204 49.190 1.462 1.00 35.24 H new ATOM 556 N GLY A 79 16.238 43.161 7.911 1.00 18.73 N ATOM 557 CA GLY A 79 16.528 41.970 8.650 1.00 17.66 C ATOM 558 C GLY A 79 16.552 40.685 7.859 1.00 15.97 C ATOM 559 O GLY A 79 16.519 39.615 8.450 1.00 14.69 O ATOM 0 H GLY A 79 16.942 43.632 7.759 1.00 18.73 H new ATOM 0 HA2 GLY A 79 17.391 42.080 9.079 1.00 17.66 H new ATOM 0 HA3 GLY A 79 15.869 41.881 9.356 1.00 17.66 H new ATOM 560 N LEU A 80 16.739 40.799 6.552 1.00 14.16 N ATOM 561 CA LEU A 80 16.742 39.645 5.676 1.00 14.48 C ATOM 562 C LEU A 80 18.187 39.421 5.058 1.00 14.35 C ATOM 563 O LEU A 80 18.901 40.383 4.842 1.00 15.94 O ATOM 564 CB LEU A 80 15.796 39.884 4.512 1.00 15.71 C ATOM 565 CG LEU A 80 14.417 39.240 4.737 1.00 17.69 C ATOM 566 CD1 LEU A 80 13.823 39.745 6.058 1.00 21.61 C ATOM 567 CD2 LEU A 80 13.543 39.446 3.556 1.00 19.03 C ATOM 0 H LEU A 80 16.868 41.549 6.150 1.00 14.16 H new ATOM 0 HA LEU A 80 16.471 38.874 6.199 1.00 14.48 H new ATOM 0 HB2 LEU A 80 15.687 40.838 4.378 1.00 15.71 H new ATOM 0 HB3 LEU A 80 16.189 39.527 3.700 1.00 15.71 H new ATOM 0 HG LEU A 80 14.504 38.278 4.825 1.00 17.69 H new ATOM 0 HD11 LEU A 80 12.954 39.338 6.199 1.00 21.61 H new ATOM 0 HD12 LEU A 80 14.413 39.507 6.790 1.00 21.61 H new ATOM 0 HD13 LEU A 80 13.726 40.709 6.022 1.00 21.61 H new ATOM 0 HD21 LEU A 80 12.680 39.034 3.716 1.00 19.03 H new ATOM 0 HD22 LEU A 80 13.424 40.396 3.403 1.00 19.03 H new ATOM 0 HD23 LEU A 80 13.953 39.043 2.775 1.00 19.03 H new ATOM 568 N GLY A 81 18.545 38.173 4.834 1.00 14.23 N ATOM 569 CA GLY A 81 19.713 37.810 4.030 1.00 15.13 C ATOM 570 C GLY A 81 19.397 36.680 3.053 1.00 14.88 C ATOM 571 O GLY A 81 18.229 36.214 2.903 1.00 13.79 O ATOM 0 H GLY A 81 18.115 37.496 5.146 1.00 14.23 H new ATOM 0 HA2 GLY A 81 20.021 38.587 3.538 1.00 15.13 H new ATOM 0 HA3 GLY A 81 20.437 37.539 4.615 1.00 15.13 H new ATOM 572 N LEU A 82 20.442 36.223 2.366 1.00 13.29 N ATOM 573 CA LEU A 82 20.327 35.344 1.226 1.00 11.78 C ATOM 574 C LEU A 82 21.526 34.431 1.102 1.00 13.24 C ATOM 575 O LEU A 82 22.654 34.817 1.329 1.00 13.35 O ATOM 576 CB LEU A 82 20.265 36.145 -0.071 1.00 12.61 C ATOM 577 CG LEU A 82 19.120 37.127 -0.379 1.00 12.96 C ATOM 578 CD1 LEU A 82 19.375 38.019 -1.494 1.00 16.02 C ATOM 579 CD2 LEU A 82 17.817 36.279 -0.569 1.00 14.84 C ATOM 0 H LEU A 82 21.255 36.426 2.562 1.00 13.29 H new ATOM 0 HA LEU A 82 19.517 34.828 1.365 1.00 11.78 H new ATOM 0 HB2 LEU A 82 21.089 36.654 -0.123 1.00 12.61 H new ATOM 0 HB3 LEU A 82 20.282 35.501 -0.797 1.00 12.61 H new ATOM 0 HG LEU A 82 19.025 37.738 0.368 1.00 12.96 H new ATOM 0 HD11 LEU A 82 18.611 38.603 -1.623 1.00 16.02 H new ATOM 0 HD12 LEU A 82 20.162 38.554 -1.307 1.00 16.02 H new ATOM 0 HD13 LEU A 82 19.523 37.498 -2.299 1.00 16.02 H new ATOM 0 HD21 LEU A 82 17.072 36.869 -0.765 1.00 14.84 H new ATOM 0 HD22 LEU A 82 17.939 35.658 -1.304 1.00 14.84 H new ATOM 0 HD23 LEU A 82 17.631 35.784 0.244 1.00 14.84 H new ATOM 580 N THR A 83 21.234 33.213 0.732 1.00 13.80 N ATOM 581 CA THR A 83 22.254 32.269 0.241 1.00 14.53 C ATOM 582 C THR A 83 21.526 31.186 -0.586 1.00 14.71 C ATOM 583 O THR A 83 20.331 31.255 -0.784 1.00 14.13 O ATOM 584 CB THR A 83 23.078 31.710 1.366 1.00 15.97 C ATOM 585 OG1 THR A 83 24.097 30.834 0.810 1.00 13.74 O ATOM 586 CG2 THR A 83 22.257 30.871 2.307 1.00 20.21 C ATOM 0 H THR A 83 20.438 32.889 0.751 1.00 13.80 H new ATOM 0 HA THR A 83 22.896 32.721 -0.329 1.00 14.53 H new ATOM 0 HB THR A 83 23.454 32.463 1.849 1.00 15.97 H new ATOM 0 HG1 THR A 83 24.716 31.297 0.481 1.00 13.74 H new ATOM 0 HG21 THR A 83 22.824 30.530 3.016 1.00 20.21 H new ATOM 0 HG22 THR A 83 21.550 31.413 2.691 1.00 20.21 H new ATOM 0 HG23 THR A 83 21.866 30.128 1.821 1.00 20.21 H new ATOM 587 N ASP A 84 22.250 30.230 -1.141 1.00 13.15 N ATOM 588 CA ASP A 84 21.684 29.094 -1.865 1.00 13.46 C ATOM 589 C ASP A 84 22.381 27.788 -1.454 1.00 15.12 C ATOM 590 O ASP A 84 23.495 27.829 -0.967 1.00 14.93 O ATOM 591 CB ASP A 84 21.888 29.252 -3.352 1.00 15.20 C ATOM 592 CG ASP A 84 21.052 30.344 -3.983 1.00 19.38 C ATOM 593 OD1 ASP A 84 19.870 30.526 -3.615 1.00 18.24 O ATOM 594 OD2 ASP A 84 21.501 31.053 -4.941 1.00 20.53 O ATOM 0 H ASP A 84 23.109 30.219 -1.109 1.00 13.15 H new ATOM 0 HA ASP A 84 20.739 29.063 -1.650 1.00 13.46 H new ATOM 0 HB2 ASP A 84 22.825 29.438 -3.521 1.00 15.20 H new ATOM 0 HB3 ASP A 84 21.683 28.410 -3.787 1.00 15.20 H new ATOM 595 N VAL A 85 21.748 26.664 -1.682 1.00 13.61 N ATOM 596 CA VAL A 85 22.377 25.374 -1.402 1.00 13.76 C ATOM 597 C VAL A 85 23.558 25.165 -2.329 1.00 14.27 C ATOM 598 O VAL A 85 24.532 24.561 -1.918 1.00 16.90 O ATOM 599 CB VAL A 85 21.347 24.227 -1.513 1.00 14.08 C ATOM 600 CG1 VAL A 85 21.982 22.865 -1.118 1.00 16.40 C ATOM 601 CG2 VAL A 85 20.171 24.471 -0.598 1.00 17.51 C ATOM 0 H VAL A 85 20.950 26.613 -2.000 1.00 13.61 H new ATOM 0 HA VAL A 85 22.708 25.372 -0.490 1.00 13.76 H new ATOM 0 HB VAL A 85 21.053 24.200 -2.437 1.00 14.08 H new ATOM 0 HG11 VAL A 85 21.317 22.163 -1.196 1.00 16.40 H new ATOM 0 HG12 VAL A 85 22.727 22.671 -1.709 1.00 16.40 H new ATOM 0 HG13 VAL A 85 22.299 22.909 -0.202 1.00 16.40 H new ATOM 0 HG21 VAL A 85 19.538 23.741 -0.683 1.00 17.51 H new ATOM 0 HG22 VAL A 85 20.481 24.525 0.320 1.00 17.51 H new ATOM 0 HG23 VAL A 85 19.738 25.304 -0.842 1.00 17.51 H new ATOM 602 N ALA A 86 23.460 25.557 -3.585 1.00 13.47 N ATOM 603 CA ALA A 86 24.562 25.465 -4.575 1.00 16.27 C ATOM 604 C ALA A 86 25.081 26.873 -4.925 1.00 17.24 C ATOM 605 O ALA A 86 24.342 27.714 -5.451 1.00 15.97 O ATOM 606 CB ALA A 86 24.096 24.786 -5.786 1.00 16.52 C ATOM 0 H ALA A 86 22.739 25.895 -3.911 1.00 13.47 H new ATOM 0 HA ALA A 86 25.288 24.952 -4.187 1.00 16.27 H new ATOM 0 HB1 ALA A 86 24.823 24.731 -6.426 1.00 16.52 H new ATOM 0 HB2 ALA A 86 23.796 23.892 -5.561 1.00 16.52 H new ATOM 0 HB3 ALA A 86 23.361 25.285 -6.174 1.00 16.52 H new ATOM 607 N LYS A 87 26.343 27.151 -4.620 1.00 16.51 N ATOM 608 CA LYS A 87 26.900 28.497 -4.764 1.00 17.25 C ATOM 609 C LYS A 87 27.904 28.631 -5.943 1.00 17.30 C ATOM 610 O LYS A 87 28.233 29.705 -6.343 1.00 18.07 O ATOM 611 CB LYS A 87 27.591 28.921 -3.482 1.00 17.41 C ATOM 612 CG LYS A 87 26.652 29.181 -2.340 1.00 15.38 C ATOM 613 CD LYS A 87 25.697 30.403 -2.570 1.00 14.93 C ATOM 614 CE LYS A 87 26.444 31.639 -2.994 1.00 14.79 C ATOM 615 NZ LYS A 87 25.583 32.845 -2.964 1.00 11.77 N ATOM 0 H LYS A 87 26.902 26.568 -4.324 1.00 16.51 H new ATOM 0 HA LYS A 87 26.146 29.076 -4.957 1.00 17.25 H new ATOM 0 HB2 LYS A 87 28.220 28.230 -3.221 1.00 17.41 H new ATOM 0 HB3 LYS A 87 28.107 29.724 -3.654 1.00 17.41 H new ATOM 0 HG2 LYS A 87 26.116 28.387 -2.186 1.00 15.38 H new ATOM 0 HG3 LYS A 87 27.171 29.334 -1.535 1.00 15.38 H new ATOM 0 HD2 LYS A 87 25.041 30.175 -3.248 1.00 14.93 H new ATOM 0 HD3 LYS A 87 25.208 30.587 -1.753 1.00 14.93 H new ATOM 0 HE2 LYS A 87 27.206 31.772 -2.409 1.00 14.79 H new ATOM 0 HE3 LYS A 87 26.793 31.514 -3.890 1.00 14.79 H new ATOM 0 HZ1 LYS A 87 26.034 33.540 -3.288 1.00 11.77 H new ATOM 0 HZ2 LYS A 87 24.858 32.705 -3.461 1.00 11.77 H new ATOM 0 HZ3 LYS A 87 25.339 33.015 -2.125 1.00 11.77 H new ATOM 616 N ARG A 88 28.359 27.510 -6.488 1.00 19.17 N ATOM 617 CA ARG A 88 29.392 27.521 -7.515 1.00 19.13 C ATOM 618 C ARG A 88 28.903 27.073 -8.869 1.00 20.57 C ATOM 619 O ARG A 88 29.733 26.916 -9.825 1.00 18.66 O ATOM 620 CB ARG A 88 30.563 26.570 -7.071 1.00 17.81 C ATOM 621 CG ARG A 88 31.275 27.086 -5.802 1.00 20.97 C ATOM 622 CD ARG A 88 32.381 26.162 -5.361 1.00 24.08 C ATOM 623 NE ARG A 88 33.075 26.581 -4.150 1.00 22.62 N ATOM 624 CZ ARG A 88 32.650 26.326 -2.944 1.00 24.04 C ATOM 625 NH1 ARG A 88 31.488 25.762 -2.716 1.00 27.08 N ATOM 626 NH2 ARG A 88 33.409 26.681 -1.924 1.00 28.55 N ATOM 0 H ARG A 88 28.080 26.725 -6.274 1.00 19.17 H new ATOM 0 HA ARG A 88 29.684 28.441 -7.605 1.00 19.13 H new ATOM 0 HB2 ARG A 88 30.212 25.681 -6.905 1.00 17.81 H new ATOM 0 HB3 ARG A 88 31.206 26.491 -7.793 1.00 17.81 H new ATOM 0 HG2 ARG A 88 31.640 27.968 -5.973 1.00 20.97 H new ATOM 0 HG3 ARG A 88 30.628 27.181 -5.085 1.00 20.97 H new ATOM 0 HD2 ARG A 88 32.009 25.278 -5.217 1.00 24.08 H new ATOM 0 HD3 ARG A 88 33.028 26.085 -6.080 1.00 24.08 H new ATOM 0 HE ARG A 88 33.808 27.022 -4.236 1.00 22.62 H new ATOM 0 HH11 ARG A 88 30.978 25.547 -3.374 1.00 27.08 H new ATOM 0 HH12 ARG A 88 31.236 25.607 -1.908 1.00 27.08 H new ATOM 0 HH21 ARG A 88 34.163 27.070 -2.064 1.00 28.55 H new ATOM 0 HH22 ARG A 88 33.149 26.523 -1.119 1.00 28.55 H new ATOM 627 N HIS A 89 27.584 26.816 -8.983 1.00 18.56 N ATOM 628 CA HIS A 89 27.034 26.351 -10.242 1.00 18.83 C ATOM 629 C HIS A 89 25.733 27.098 -10.468 1.00 19.69 C ATOM 630 O HIS A 89 25.080 27.502 -9.511 1.00 18.35 O ATOM 631 CB HIS A 89 26.756 24.867 -10.176 1.00 17.90 C ATOM 632 CG HIS A 89 27.966 23.992 -10.020 1.00 19.42 C ATOM 633 ND1 HIS A 89 28.546 23.721 -8.798 1.00 21.44 N ATOM 634 CD2 HIS A 89 28.724 23.348 -10.950 1.00 25.98 C ATOM 635 CE1 HIS A 89 29.581 22.914 -8.979 1.00 26.01 C ATOM 636 NE2 HIS A 89 29.726 22.695 -10.278 1.00 22.98 N ATOM 0 H HIS A 89 27.012 26.907 -8.347 1.00 18.56 H new ATOM 0 HA HIS A 89 27.661 26.511 -10.964 1.00 18.83 H new ATOM 0 HB2 HIS A 89 26.156 24.698 -9.433 1.00 17.90 H new ATOM 0 HB3 HIS A 89 26.288 24.605 -10.984 1.00 17.90 H new ATOM 0 HD2 HIS A 89 28.588 23.350 -11.870 1.00 25.98 H new ATOM 0 HE1 HIS A 89 30.117 22.560 -8.306 1.00 26.01 H new ATOM 0 HE2 HIS A 89 30.346 22.222 -10.640 1.00 22.98 H new ATOM 637 N SER A 90 25.333 27.239 -11.742 1.00 20.31 N ATOM 638 CA SER A 90 24.043 27.830 -12.083 1.00 20.47 C ATOM 639 C SER A 90 23.239 26.948 -13.022 1.00 20.81 C ATOM 640 O SER A 90 23.755 26.047 -13.718 1.00 21.68 O ATOM 641 CB SER A 90 24.215 29.201 -12.738 1.00 20.58 C ATOM 642 OG SER A 90 24.880 29.105 -14.007 1.00 24.30 O ATOM 0 H SER A 90 25.801 26.995 -12.421 1.00 20.31 H new ATOM 0 HA SER A 90 23.562 27.922 -11.246 1.00 20.47 H new ATOM 0 HB2 SER A 90 23.345 29.613 -12.859 1.00 20.58 H new ATOM 0 HB3 SER A 90 24.724 29.780 -12.149 1.00 20.58 H new ATOM 0 HG SER A 90 24.326 28.884 -14.598 1.00 24.30 H new ATOM 643 N GLY A 91 21.955 27.185 -13.045 1.00 20.90 N ATOM 644 CA GLY A 91 21.091 26.433 -13.923 1.00 22.11 C ATOM 645 C GLY A 91 19.838 26.010 -13.227 1.00 23.51 C ATOM 646 O GLY A 91 19.627 26.272 -12.008 1.00 24.19 O ATOM 0 H GLY A 91 21.558 27.776 -12.562 1.00 20.90 H new ATOM 0 HA2 GLY A 91 20.866 26.972 -14.697 1.00 22.11 H new ATOM 0 HA3 GLY A 91 21.561 25.650 -14.249 1.00 22.11 H new ATOM 647 N VAL A 92 18.995 25.338 -13.991 1.00 23.18 N ATOM 648 CA VAL A 92 17.802 24.726 -13.427 1.00 24.55 C ATOM 649 C VAL A 92 18.162 23.521 -12.567 1.00 24.08 C ATOM 650 O VAL A 92 19.178 22.835 -12.801 1.00 22.84 O ATOM 651 CB VAL A 92 16.753 24.374 -14.536 1.00 25.39 C ATOM 652 CG1 VAL A 92 16.550 25.591 -15.462 1.00 27.72 C ATOM 653 CG2 VAL A 92 17.182 23.131 -15.339 1.00 25.97 C ATOM 0 H VAL A 92 19.093 25.223 -14.838 1.00 23.18 H new ATOM 0 HA VAL A 92 17.379 25.377 -12.846 1.00 24.55 H new ATOM 0 HB VAL A 92 15.909 24.160 -14.108 1.00 25.39 H new ATOM 0 HG11 VAL A 92 15.900 25.371 -16.148 1.00 27.72 H new ATOM 0 HG12 VAL A 92 16.228 26.344 -14.942 1.00 27.72 H new ATOM 0 HG13 VAL A 92 17.394 25.824 -15.880 1.00 27.72 H new ATOM 0 HG21 VAL A 92 16.515 22.937 -16.017 1.00 25.97 H new ATOM 0 HG22 VAL A 92 18.036 23.300 -15.766 1.00 25.97 H new ATOM 0 HG23 VAL A 92 17.265 22.372 -14.741 1.00 25.97 H new ATOM 654 N ASP A 93 17.364 23.258 -11.533 1.00 23.99 N ATOM 655 CA ASP A 93 17.705 22.231 -10.552 1.00 24.44 C ATOM 656 C ASP A 93 18.059 20.875 -11.166 1.00 25.16 C ATOM 657 O ASP A 93 19.021 20.230 -10.778 1.00 26.04 O ATOM 658 CB ASP A 93 16.539 22.013 -9.605 1.00 24.49 C ATOM 659 CG ASP A 93 16.200 23.253 -8.791 1.00 23.30 C ATOM 660 OD1 ASP A 93 17.002 24.261 -8.802 1.00 25.38 O ATOM 661 OD2 ASP A 93 15.137 23.240 -8.094 1.00 24.78 O ATOM 0 H ASP A 93 16.621 23.663 -11.382 1.00 23.99 H new ATOM 0 HA ASP A 93 18.492 22.565 -10.093 1.00 24.44 H new ATOM 0 HB2 ASP A 93 15.759 21.743 -10.115 1.00 24.49 H new ATOM 0 HB3 ASP A 93 16.750 21.283 -9.002 1.00 24.49 H new ATOM 662 N ALA A 94 17.275 20.466 -12.144 1.00 26.23 N ATOM 663 CA ALA A 94 17.458 19.158 -12.780 1.00 26.37 C ATOM 664 C ALA A 94 18.762 19.005 -13.555 1.00 26.61 C ATOM 665 O ALA A 94 19.191 17.855 -13.806 1.00 28.45 O ATOM 666 CB ALA A 94 16.263 18.874 -13.714 1.00 27.33 C ATOM 0 H ALA A 94 16.624 20.928 -12.463 1.00 26.23 H new ATOM 0 HA ALA A 94 17.505 18.512 -12.058 1.00 26.37 H new ATOM 0 HB1 ALA A 94 16.381 18.009 -14.137 1.00 27.33 H new ATOM 0 HB2 ALA A 94 15.442 18.872 -13.198 1.00 27.33 H new ATOM 0 HB3 ALA A 94 16.214 19.562 -14.396 1.00 27.33 H new ATOM 667 N ALA A 95 19.347 20.125 -13.984 1.00 24.92 N ATOM 668 CA ALA A 95 20.558 20.166 -14.769 1.00 25.47 C ATOM 669 C ALA A 95 21.809 20.259 -13.939 1.00 25.74 C ATOM 670 O ALA A 95 22.876 20.051 -14.460 1.00 25.68 O ATOM 671 CB ALA A 95 20.519 21.310 -15.754 1.00 26.78 C ATOM 0 H ALA A 95 19.029 20.906 -13.814 1.00 24.92 H new ATOM 0 HA ALA A 95 20.593 19.320 -15.243 1.00 25.47 H new ATOM 0 HB1 ALA A 95 21.340 21.320 -16.271 1.00 26.78 H new ATOM 0 HB2 ALA A 95 19.763 21.198 -16.351 1.00 26.78 H new ATOM 0 HB3 ALA A 95 20.429 22.148 -15.274 1.00 26.78 H new ATOM 672 N LEU A 96 21.696 20.583 -12.642 1.00 23.83 N ATOM 673 CA LEU A 96 22.884 20.814 -11.855 1.00 23.34 C ATOM 674 C LEU A 96 23.592 19.473 -11.682 1.00 22.21 C ATOM 675 O LEU A 96 22.944 18.464 -11.452 1.00 23.09 O ATOM 676 CB LEU A 96 22.532 21.373 -10.467 1.00 23.76 C ATOM 677 CG LEU A 96 21.871 22.751 -10.461 1.00 23.92 C ATOM 678 CD1 LEU A 96 21.403 23.140 -9.053 1.00 25.92 C ATOM 679 CD2 LEU A 96 22.781 23.845 -10.977 1.00 27.01 C ATOM 0 H LEU A 96 20.952 20.669 -12.219 1.00 23.83 H new ATOM 0 HA LEU A 96 23.448 21.461 -12.307 1.00 23.34 H new ATOM 0 HB2 LEU A 96 21.940 20.746 -10.024 1.00 23.76 H new ATOM 0 HB3 LEU A 96 23.344 21.419 -9.938 1.00 23.76 H new ATOM 0 HG LEU A 96 21.111 22.673 -11.059 1.00 23.92 H new ATOM 0 HD11 LEU A 96 20.989 24.017 -9.080 1.00 25.92 H new ATOM 0 HD12 LEU A 96 20.759 22.488 -8.734 1.00 25.92 H new ATOM 0 HD13 LEU A 96 22.165 23.161 -8.453 1.00 25.92 H new ATOM 0 HD21 LEU A 96 22.313 24.694 -10.951 1.00 27.01 H new ATOM 0 HD22 LEU A 96 23.574 23.896 -10.420 1.00 27.01 H new ATOM 0 HD23 LEU A 96 23.040 23.647 -11.890 1.00 27.01 H new ATOM 680 N PRO A 97 24.914 19.489 -11.764 1.00 22.79 N ATOM 681 CA PRO A 97 25.689 18.306 -11.430 1.00 23.04 C ATOM 682 C PRO A 97 25.525 17.997 -9.941 1.00 23.00 C ATOM 683 O PRO A 97 25.264 18.869 -9.099 1.00 22.06 O ATOM 684 CB PRO A 97 27.128 18.698 -11.756 1.00 23.16 C ATOM 685 CG PRO A 97 27.189 20.131 -11.848 1.00 24.25 C ATOM 686 CD PRO A 97 25.774 20.611 -12.162 1.00 22.22 C ATOM 0 HA PRO A 97 25.413 17.512 -11.914 1.00 23.04 H new ATOM 0 HB2 PRO A 97 27.731 18.377 -11.068 1.00 23.16 H new ATOM 0 HB3 PRO A 97 27.409 18.292 -12.591 1.00 23.16 H new ATOM 0 HG2 PRO A 97 27.507 20.516 -11.016 1.00 24.25 H new ATOM 0 HG3 PRO A 97 27.808 20.406 -12.543 1.00 24.25 H new ATOM 0 HD2 PRO A 97 25.556 21.417 -11.668 1.00 22.22 H new ATOM 0 HD3 PRO A 97 25.671 20.819 -13.104 1.00 22.22 H new ATOM 687 N GLY A 98 25.695 16.729 -9.619 1.00 22.95 N ATOM 688 CA GLY A 98 25.463 16.283 -8.269 1.00 23.21 C ATOM 689 C GLY A 98 26.295 17.002 -7.201 1.00 22.04 C ATOM 690 O GLY A 98 25.811 17.262 -6.088 1.00 23.11 O ATOM 0 H GLY A 98 25.944 16.115 -10.167 1.00 22.95 H new ATOM 0 HA2 GLY A 98 24.523 16.399 -8.061 1.00 23.21 H new ATOM 0 HA3 GLY A 98 25.649 15.332 -8.220 1.00 23.21 H new ATOM 691 N GLU A 99 27.526 17.318 -7.527 1.00 21.73 N ATOM 692 CA GLU A 99 28.451 17.933 -6.610 1.00 22.09 C ATOM 693 C GLU A 99 28.092 19.394 -6.378 1.00 21.18 C ATOM 694 O GLU A 99 28.703 20.031 -5.543 1.00 21.94 O ATOM 695 CB GLU A 99 29.910 17.850 -7.130 1.00 23.87 C ATOM 696 CG GLU A 99 30.169 18.469 -8.475 1.00 26.89 C ATOM 697 CD GLU A 99 30.013 17.527 -9.666 1.00 34.21 C ATOM 698 OE1 GLU A 99 29.247 16.484 -9.615 1.00 36.96 O ATOM 699 OE2 GLU A 99 30.630 17.863 -10.694 1.00 38.07 O ATOM 0 H GLU A 99 27.856 17.177 -8.308 1.00 21.73 H new ATOM 0 HA GLU A 99 28.387 17.444 -5.775 1.00 22.09 H new ATOM 0 HB2 GLU A 99 30.490 18.277 -6.481 1.00 23.87 H new ATOM 0 HB3 GLU A 99 30.167 16.916 -7.169 1.00 23.87 H new ATOM 0 HG2 GLU A 99 29.564 19.218 -8.592 1.00 26.89 H new ATOM 0 HG3 GLU A 99 31.070 18.829 -8.481 1.00 26.89 H new ATOM 700 N ALA A 100 27.150 19.949 -7.146 1.00 19.78 N ATOM 701 CA ALA A 100 26.766 21.363 -6.888 1.00 17.21 C ATOM 702 C ALA A 100 26.189 21.637 -5.484 1.00 18.67 C ATOM 703 O ALA A 100 26.347 22.757 -4.943 1.00 19.94 O ATOM 704 CB ALA A 100 25.778 21.832 -7.912 1.00 16.12 C ATOM 0 H ALA A 100 26.735 19.558 -7.790 1.00 19.78 H new ATOM 0 HA ALA A 100 27.599 21.857 -6.945 1.00 17.21 H new ATOM 0 HB1 ALA A 100 25.537 22.754 -7.731 1.00 16.12 H new ATOM 0 HB2 ALA A 100 26.173 21.769 -8.796 1.00 16.12 H new ATOM 0 HB3 ALA A 100 24.983 21.277 -7.873 1.00 16.12 H new ATOM 705 N TRP A 101 25.475 20.698 -4.925 1.00 19.47 N ATOM 706 CA TRP A 101 24.653 20.906 -3.735 1.00 20.97 C ATOM 707 C TRP A 101 25.548 20.800 -2.507 1.00 21.79 C ATOM 708 O TRP A 101 26.169 19.730 -2.317 1.00 22.81 O ATOM 709 CB TRP A 101 23.586 19.795 -3.639 1.00 20.85 C ATOM 710 CG TRP A 101 22.722 19.658 -4.808 1.00 20.88 C ATOM 711 CD1 TRP A 101 22.836 18.773 -5.790 1.00 22.67 C ATOM 712 CD2 TRP A 101 21.578 20.467 -5.122 1.00 18.53 C ATOM 713 NE1 TRP A 101 21.855 18.963 -6.730 1.00 22.39 N ATOM 714 CE2 TRP A 101 21.072 20.014 -6.348 1.00 23.14 C ATOM 715 CE3 TRP A 101 20.965 21.569 -4.510 1.00 23.74 C ATOM 716 CZ2 TRP A 101 19.936 20.559 -6.945 1.00 25.18 C ATOM 717 CZ3 TRP A 101 19.840 22.110 -5.087 1.00 21.29 C ATOM 718 CH2 TRP A 101 19.358 21.638 -6.336 1.00 23.09 C ATOM 0 H TRP A 101 25.445 19.893 -5.225 1.00 19.47 H new ATOM 0 HA TRP A 101 24.225 21.775 -3.785 1.00 20.97 H new ATOM 0 HB2 TRP A 101 24.034 18.949 -3.485 1.00 20.85 H new ATOM 0 HB3 TRP A 101 23.030 19.967 -2.863 1.00 20.85 H new ATOM 0 HD1 TRP A 101 23.491 18.114 -5.835 1.00 22.67 H new ATOM 0 HE1 TRP A 101 21.750 18.496 -7.444 1.00 22.39 H new ATOM 0 HE3 TRP A 101 21.313 21.929 -3.726 1.00 23.74 H new ATOM 0 HZ2 TRP A 101 19.584 20.202 -7.728 1.00 25.18 H new ATOM 0 HZ3 TRP A 101 19.388 22.796 -4.652 1.00 21.29 H new ATOM 0 HH2 TRP A 101 18.641 22.067 -6.744 1.00 23.09 H new ATOM 719 N ARG A 102 25.637 21.854 -1.680 1.00 19.60 N ATOM 720 CA ARG A 102 26.489 21.858 -0.514 1.00 21.21 C ATOM 721 C ARG A 102 25.718 22.290 0.725 1.00 21.18 C ATOM 722 O ARG A 102 25.987 23.346 1.312 1.00 20.94 O ATOM 723 CB ARG A 102 27.741 22.710 -0.715 1.00 21.46 C ATOM 724 CG ARG A 102 28.595 22.364 -1.936 1.00 23.51 C ATOM 725 CD ARG A 102 29.101 20.945 -1.873 1.00 28.26 C ATOM 726 NE ARG A 102 29.812 20.743 -0.624 1.00 29.62 N ATOM 727 CZ ARG A 102 31.128 20.951 -0.529 1.00 34.81 C ATOM 728 NH1 ARG A 102 31.839 21.368 -1.592 1.00 38.83 N ATOM 729 NH2 ARG A 102 31.732 20.760 0.620 1.00 41.91 N ATOM 0 H ARG A 102 25.196 22.584 -1.793 1.00 19.60 H new ATOM 0 HA ARG A 102 26.790 20.946 -0.378 1.00 21.21 H new ATOM 0 HB2 ARG A 102 27.471 23.639 -0.783 1.00 21.46 H new ATOM 0 HB3 ARG A 102 28.295 22.633 0.078 1.00 21.46 H new ATOM 0 HG2 ARG A 102 28.072 22.486 -2.743 1.00 23.51 H new ATOM 0 HG3 ARG A 102 29.347 22.975 -1.990 1.00 23.51 H new ATOM 0 HD2 ARG A 102 28.359 20.323 -1.939 1.00 28.26 H new ATOM 0 HD3 ARG A 102 29.689 20.767 -2.624 1.00 28.26 H new ATOM 0 HE ARG A 102 29.376 20.484 0.071 1.00 29.62 H new ATOM 0 HH11 ARG A 102 31.447 21.504 -2.345 1.00 38.83 H new ATOM 0 HH12 ARG A 102 32.686 21.498 -1.518 1.00 38.83 H new ATOM 0 HH21 ARG A 102 31.281 20.503 1.305 1.00 41.91 H new ATOM 0 HH22 ARG A 102 32.579 20.892 0.688 1.00 41.91 H new ATOM 730 N PRO A 103 24.742 21.475 1.116 1.00 20.96 N ATOM 731 CA PRO A 103 23.973 21.763 2.322 1.00 22.71 C ATOM 732 C PRO A 103 24.901 21.696 3.552 1.00 23.60 C ATOM 733 O PRO A 103 24.583 22.350 4.528 1.00 24.77 O ATOM 734 CB PRO A 103 22.877 20.677 2.317 1.00 22.94 C ATOM 735 CG PRO A 103 23.509 19.519 1.586 1.00 22.87 C ATOM 736 CD PRO A 103 24.382 20.159 0.527 1.00 21.71 C ATOM 0 HA PRO A 103 23.580 22.649 2.352 1.00 22.71 H new ATOM 0 HB2 PRO A 103 22.619 20.429 3.219 1.00 22.94 H new ATOM 0 HB3 PRO A 103 22.075 20.985 1.867 1.00 22.94 H new ATOM 0 HG2 PRO A 103 24.033 18.967 2.187 1.00 22.87 H new ATOM 0 HG3 PRO A 103 22.836 18.945 1.188 1.00 22.87 H new ATOM 0 HD2 PRO A 103 25.170 19.623 0.343 1.00 21.71 H new ATOM 0 HD3 PRO A 103 23.907 20.262 -0.312 1.00 21.71 H new ATOM 737 N ASP A 104 26.040 20.987 3.463 1.00 25.58 N ATOM 738 CA ASP A 104 27.100 21.027 4.483 1.00 26.11 C ATOM 739 C ASP A 104 27.596 22.464 4.766 1.00 24.88 C ATOM 740 O ASP A 104 27.625 22.915 5.917 1.00 23.65 O ATOM 741 CB ASP A 104 28.261 20.024 4.124 1.00 27.27 C ATOM 742 CG ASP A 104 28.976 20.355 2.797 1.00 29.95 C ATOM 743 OD1 ASP A 104 28.263 20.384 1.771 1.00 33.08 O ATOM 744 OD2 ASP A 104 30.213 20.660 2.662 1.00 32.67 O ATOM 0 H ASP A 104 26.218 20.466 2.802 1.00 25.58 H new ATOM 0 HA ASP A 104 26.717 20.725 5.321 1.00 26.11 H new ATOM 0 HB2 ASP A 104 28.913 20.025 4.843 1.00 27.27 H new ATOM 0 HB3 ASP A 104 27.898 19.126 4.072 1.00 27.27 H new ATOM 745 N GLU A 105 27.915 23.201 3.711 1.00 22.34 N ATOM 746 CA GLU A 105 28.384 24.590 3.817 1.00 22.54 C ATOM 747 C GLU A 105 27.234 25.505 4.275 1.00 19.86 C ATOM 748 O GLU A 105 27.466 26.424 5.073 1.00 18.61 O ATOM 749 CB GLU A 105 29.047 25.040 2.505 1.00 21.14 C ATOM 750 CG GLU A 105 30.287 24.212 2.097 1.00 28.31 C ATOM 751 CD GLU A 105 30.981 24.784 0.871 1.00 33.83 C ATOM 752 OE1 GLU A 105 30.292 25.046 -0.154 1.00 32.56 O ATOM 753 OE2 GLU A 105 32.200 25.061 0.948 1.00 35.38 O ATOM 0 H GLU A 105 27.867 22.912 2.902 1.00 22.34 H new ATOM 0 HA GLU A 105 29.072 24.653 4.498 1.00 22.54 H new ATOM 0 HB2 GLU A 105 28.391 24.993 1.792 1.00 21.14 H new ATOM 0 HB3 GLU A 105 29.307 25.971 2.590 1.00 21.14 H new ATOM 0 HG2 GLU A 105 30.913 24.184 2.837 1.00 28.31 H new ATOM 0 HG3 GLU A 105 30.018 23.297 1.917 1.00 28.31 H new ATOM 754 N LEU A 106 25.999 25.223 3.850 1.00 18.04 N ATOM 755 CA LEU A 106 24.855 26.007 4.324 1.00 17.95 C ATOM 756 C LEU A 106 24.738 25.851 5.858 1.00 19.73 C ATOM 757 O LEU A 106 24.546 26.821 6.600 1.00 17.71 O ATOM 758 CB LEU A 106 23.563 25.570 3.617 1.00 18.80 C ATOM 759 CG LEU A 106 22.299 26.133 4.155 1.00 17.68 C ATOM 760 CD1 LEU A 106 22.264 27.681 4.040 1.00 19.54 C ATOM 761 CD2 LEU A 106 21.154 25.484 3.356 1.00 17.07 C ATOM 0 H LEU A 106 25.805 24.593 3.297 1.00 18.04 H new ATOM 0 HA LEU A 106 24.993 26.943 4.112 1.00 17.95 H new ATOM 0 HB2 LEU A 106 23.631 25.813 2.680 1.00 18.80 H new ATOM 0 HB3 LEU A 106 23.507 24.602 3.656 1.00 18.80 H new ATOM 0 HG LEU A 106 22.215 25.939 5.102 1.00 17.68 H new ATOM 0 HD11 LEU A 106 21.427 28.014 4.400 1.00 19.54 H new ATOM 0 HD12 LEU A 106 23.004 28.060 4.540 1.00 19.54 H new ATOM 0 HD13 LEU A 106 22.340 27.938 3.108 1.00 19.54 H new ATOM 0 HD21 LEU A 106 20.303 25.824 3.675 1.00 17.07 H new ATOM 0 HD22 LEU A 106 21.255 25.697 2.415 1.00 17.07 H new ATOM 0 HD23 LEU A 106 21.182 24.522 3.474 1.00 17.07 H new ATOM 762 N ARG A 107 24.825 24.602 6.315 1.00 19.84 N ATOM 763 CA ARG A 107 24.612 24.327 7.753 1.00 20.50 C ATOM 764 C ARG A 107 25.658 25.059 8.578 1.00 20.56 C ATOM 765 O ARG A 107 25.338 25.556 9.653 1.00 20.54 O ATOM 766 CB ARG A 107 24.648 22.796 8.027 1.00 21.43 C ATOM 767 CG ARG A 107 23.302 22.109 7.836 1.00 24.89 C ATOM 768 CD ARG A 107 23.399 20.584 7.998 1.00 30.57 C ATOM 769 NE ARG A 107 22.205 19.840 7.561 1.00 34.98 N ATOM 770 CZ ARG A 107 21.097 19.726 8.290 1.00 37.93 C ATOM 771 NH1 ARG A 107 21.001 20.318 9.477 1.00 40.42 N ATOM 772 NH2 ARG A 107 20.073 19.000 7.854 1.00 39.61 N ATOM 0 H ARG A 107 25.001 23.913 5.832 1.00 19.84 H new ATOM 0 HA ARG A 107 23.735 24.652 8.012 1.00 20.50 H new ATOM 0 HB2 ARG A 107 25.299 22.385 7.437 1.00 21.43 H new ATOM 0 HB3 ARG A 107 24.953 22.645 8.935 1.00 21.43 H new ATOM 0 HG2 ARG A 107 22.667 22.461 8.479 1.00 24.89 H new ATOM 0 HG3 ARG A 107 22.957 22.317 6.954 1.00 24.89 H new ATOM 0 HD2 ARG A 107 24.165 20.266 7.495 1.00 30.57 H new ATOM 0 HD3 ARG A 107 23.568 20.380 8.931 1.00 30.57 H new ATOM 0 HE ARG A 107 22.225 19.457 6.791 1.00 34.98 H new ATOM 0 HH11 ARG A 107 21.659 20.781 9.781 1.00 40.42 H new ATOM 0 HH12 ARG A 107 20.281 20.238 9.940 1.00 40.42 H new ATOM 0 HH21 ARG A 107 20.123 18.599 7.095 1.00 39.61 H new ATOM 0 HH22 ARG A 107 19.361 18.931 8.331 1.00 39.61 H new ATOM 773 N ARG A 108 26.909 25.107 8.090 1.00 20.71 N ATOM 774 CA ARG A 108 27.982 25.826 8.770 1.00 22.55 C ATOM 775 C ARG A 108 27.688 27.319 8.887 1.00 20.53 C ATOM 776 O ARG A 108 27.886 27.911 9.928 1.00 18.73 O ATOM 777 CB ARG A 108 29.333 25.596 8.135 1.00 22.49 C ATOM 778 CG ARG A 108 29.790 24.119 8.291 1.00 31.17 C ATOM 779 CD ARG A 108 30.982 23.737 7.408 1.00 37.39 C ATOM 780 NE ARG A 108 32.103 24.679 7.505 1.00 41.65 N ATOM 781 CZ ARG A 108 32.753 25.235 6.481 1.00 45.61 C ATOM 782 NH1 ARG A 108 32.411 24.978 5.213 1.00 47.86 N ATOM 783 NH2 ARG A 108 33.754 26.073 6.731 1.00 46.57 N ATOM 0 H ARG A 108 27.151 24.723 7.359 1.00 20.71 H new ATOM 0 HA ARG A 108 28.019 25.457 9.666 1.00 22.55 H new ATOM 0 HB2 ARG A 108 29.293 25.826 7.194 1.00 22.49 H new ATOM 0 HB3 ARG A 108 29.988 26.184 8.543 1.00 22.49 H new ATOM 0 HG2 ARG A 108 30.023 23.959 9.219 1.00 31.17 H new ATOM 0 HG3 ARG A 108 29.044 23.536 8.081 1.00 31.17 H new ATOM 0 HD2 ARG A 108 31.290 22.851 7.657 1.00 37.39 H new ATOM 0 HD3 ARG A 108 30.689 23.687 6.485 1.00 37.39 H new ATOM 0 HE ARG A 108 32.365 24.893 8.296 1.00 41.65 H new ATOM 0 HH11 ARG A 108 31.759 24.444 5.043 1.00 47.86 H new ATOM 0 HH12 ARG A 108 32.843 25.347 4.568 1.00 47.86 H new ATOM 0 HH21 ARG A 108 33.974 26.250 7.543 1.00 46.57 H new ATOM 0 HH22 ARG A 108 34.182 26.438 6.080 1.00 46.57 H new ATOM 784 N LYS A 109 27.151 27.907 7.830 1.00 19.61 N ATOM 785 CA LYS A 109 26.768 29.299 7.846 1.00 18.51 C ATOM 786 C LYS A 109 25.628 29.551 8.854 1.00 19.59 C ATOM 787 O LYS A 109 25.641 30.554 9.534 1.00 19.83 O ATOM 788 CB LYS A 109 26.353 29.736 6.426 1.00 18.99 C ATOM 789 CG LYS A 109 27.498 29.686 5.416 1.00 18.26 C ATOM 790 CD LYS A 109 27.041 29.928 4.017 1.00 16.99 C ATOM 791 CE LYS A 109 28.072 29.505 3.031 1.00 15.73 C ATOM 792 NZ LYS A 109 27.661 29.582 1.579 1.00 16.36 N ATOM 0 H LYS A 109 27.000 27.506 7.084 1.00 19.61 H new ATOM 0 HA LYS A 109 27.529 29.829 8.131 1.00 18.51 H new ATOM 0 HB2 LYS A 109 25.633 29.165 6.117 1.00 18.99 H new ATOM 0 HB3 LYS A 109 26.002 30.640 6.463 1.00 18.99 H new ATOM 0 HG2 LYS A 109 28.164 30.350 5.654 1.00 18.26 H new ATOM 0 HG3 LYS A 109 27.931 28.819 5.466 1.00 18.26 H new ATOM 0 HD2 LYS A 109 26.217 29.442 3.855 1.00 16.99 H new ATOM 0 HD3 LYS A 109 26.843 30.870 3.897 1.00 16.99 H new ATOM 0 HE2 LYS A 109 28.861 30.055 3.156 1.00 15.73 H new ATOM 0 HE3 LYS A 109 28.330 28.591 3.229 1.00 15.73 H new ATOM 0 HZ1 LYS A 109 28.349 29.353 1.063 1.00 16.36 H new ATOM 0 HZ2 LYS A 109 26.983 29.025 1.432 1.00 16.36 H new ATOM 0 HZ3 LYS A 109 27.409 30.413 1.385 1.00 16.36 H new ATOM 793 N VAL A 110 24.607 28.681 8.889 1.00 19.88 N ATOM 794 CA VAL A 110 23.458 28.881 9.741 1.00 20.54 C ATOM 795 C VAL A 110 23.941 28.815 11.189 1.00 21.19 C ATOM 796 O VAL A 110 23.494 29.608 12.000 1.00 20.38 O ATOM 797 CB VAL A 110 22.358 27.834 9.497 1.00 20.05 C ATOM 798 CG1 VAL A 110 21.241 27.968 10.474 1.00 21.90 C ATOM 799 CG2 VAL A 110 21.783 27.995 8.069 1.00 20.63 C ATOM 0 H VAL A 110 24.574 27.964 8.415 1.00 19.88 H new ATOM 0 HA VAL A 110 23.061 29.744 9.542 1.00 20.54 H new ATOM 0 HB VAL A 110 22.764 26.960 9.605 1.00 20.05 H new ATOM 0 HG11 VAL A 110 20.568 27.294 10.291 1.00 21.90 H new ATOM 0 HG12 VAL A 110 21.582 27.847 11.374 1.00 21.90 H new ATOM 0 HG13 VAL A 110 20.845 28.850 10.394 1.00 21.90 H new ATOM 0 HG21 VAL A 110 21.090 27.332 7.922 1.00 20.63 H new ATOM 0 HG22 VAL A 110 21.406 28.883 7.970 1.00 20.63 H new ATOM 0 HG23 VAL A 110 22.492 27.871 7.419 1.00 20.63 H new ATOM 800 N GLU A 111 24.869 27.888 11.442 1.00 23.24 N ATOM 801 CA GLU A 111 25.411 27.650 12.796 1.00 25.48 C ATOM 802 C GLU A 111 26.249 28.863 13.257 1.00 24.36 C ATOM 803 O GLU A 111 26.183 29.281 14.416 1.00 26.39 O ATOM 804 CB GLU A 111 26.174 26.310 12.836 1.00 25.81 C ATOM 805 CG GLU A 111 26.937 26.001 14.148 1.00 32.01 C ATOM 806 CD GLU A 111 26.101 26.149 15.427 1.00 37.87 C ATOM 807 OE1 GLU A 111 24.932 25.695 15.474 1.00 35.41 O ATOM 808 OE2 GLU A 111 26.623 26.747 16.403 1.00 40.97 O ATOM 0 H GLU A 111 25.205 27.377 10.837 1.00 23.24 H new ATOM 0 HA GLU A 111 24.687 27.566 13.436 1.00 25.48 H new ATOM 0 HB2 GLU A 111 25.541 25.593 12.675 1.00 25.81 H new ATOM 0 HB3 GLU A 111 26.809 26.298 12.103 1.00 25.81 H new ATOM 0 HG2 GLU A 111 27.279 25.094 14.103 1.00 32.01 H new ATOM 0 HG3 GLU A 111 27.705 26.591 14.208 1.00 32.01 H new ATOM 809 N HIS A 112 26.975 29.467 12.320 1.00 23.61 N ATOM 810 CA HIS A 112 27.700 30.706 12.570 1.00 23.32 C ATOM 811 C HIS A 112 26.810 31.948 12.772 1.00 22.97 C ATOM 812 O HIS A 112 26.900 32.616 13.801 1.00 23.22 O ATOM 813 CB HIS A 112 28.799 30.909 11.495 1.00 23.41 C ATOM 814 CG HIS A 112 29.611 32.136 11.688 1.00 26.28 C ATOM 815 ND1 HIS A 112 30.453 32.305 12.768 1.00 29.50 N ATOM 816 CD2 HIS A 112 29.712 33.270 10.951 1.00 30.88 C ATOM 817 CE1 HIS A 112 31.001 33.509 12.713 1.00 33.10 C ATOM 818 NE2 HIS A 112 30.589 34.106 11.604 1.00 32.96 N ATOM 0 H HIS A 112 27.060 29.167 11.518 1.00 23.61 H new ATOM 0 HA HIS A 112 28.131 30.604 13.433 1.00 23.32 H new ATOM 0 HB2 HIS A 112 29.388 30.138 11.498 1.00 23.41 H new ATOM 0 HB3 HIS A 112 28.381 30.943 10.620 1.00 23.41 H new ATOM 0 HD2 HIS A 112 29.271 33.449 10.152 1.00 30.88 H new ATOM 0 HE1 HIS A 112 31.577 33.874 13.345 1.00 33.10 H new ATOM 0 HE2 HIS A 112 30.830 34.887 11.336 1.00 32.96 H new ATOM 819 N TYR A 113 25.964 32.279 11.791 1.00 20.32 N ATOM 820 CA TYR A 113 25.207 33.522 11.791 1.00 19.20 C ATOM 821 C TYR A 113 23.922 33.510 12.643 1.00 18.60 C ATOM 822 O TYR A 113 23.411 34.571 12.987 1.00 19.16 O ATOM 823 CB TYR A 113 24.864 33.841 10.348 1.00 18.82 C ATOM 824 CG TYR A 113 26.056 34.190 9.540 1.00 16.45 C ATOM 825 CD1 TYR A 113 26.726 35.349 9.798 1.00 18.57 C ATOM 826 CD2 TYR A 113 26.519 33.372 8.515 1.00 16.45 C ATOM 827 CE1 TYR A 113 27.830 35.703 9.047 1.00 23.53 C ATOM 828 CE2 TYR A 113 27.612 33.729 7.758 1.00 18.89 C ATOM 829 CZ TYR A 113 28.236 34.899 8.016 1.00 19.46 C ATOM 830 OH TYR A 113 29.384 35.302 7.296 1.00 24.50 O ATOM 0 H TYR A 113 25.817 31.781 11.105 1.00 20.32 H new ATOM 0 HA TYR A 113 25.767 34.198 12.204 1.00 19.20 H new ATOM 0 HB2 TYR A 113 24.420 33.077 9.949 1.00 18.82 H new ATOM 0 HB3 TYR A 113 24.235 34.579 10.325 1.00 18.82 H new ATOM 0 HD1 TYR A 113 26.438 35.906 10.485 1.00 18.57 H new ATOM 0 HD2 TYR A 113 26.083 32.570 8.338 1.00 16.45 H new ATOM 0 HE1 TYR A 113 28.296 36.484 9.241 1.00 23.53 H new ATOM 0 HE2 TYR A 113 27.917 33.172 7.078 1.00 18.89 H new ATOM 0 HH TYR A 113 29.610 34.692 6.765 1.00 24.50 H new ATOM 831 N ARG A 114 23.418 32.305 12.928 1.00 20.58 N ATOM 832 CA ARG A 114 22.204 32.131 13.711 1.00 22.39 C ATOM 833 C ARG A 114 21.027 33.074 13.386 1.00 20.99 C ATOM 834 O ARG A 114 20.459 33.772 14.242 1.00 20.16 O ATOM 835 CB ARG A 114 22.577 32.249 15.201 1.00 24.05 C ATOM 836 CG ARG A 114 23.718 31.336 15.657 1.00 28.50 C ATOM 837 CD ARG A 114 23.301 29.884 15.724 1.00 34.09 C ATOM 838 NE ARG A 114 24.225 29.015 16.471 1.00 40.73 N ATOM 839 CZ ARG A 114 24.384 29.021 17.812 1.00 45.14 C ATOM 840 NH1 ARG A 114 23.709 29.853 18.587 1.00 47.50 N ATOM 841 NH2 ARG A 114 25.242 28.190 18.386 1.00 46.57 N ATOM 0 H ARG A 114 23.776 31.567 12.669 1.00 20.58 H new ATOM 0 HA ARG A 114 21.864 31.254 13.474 1.00 22.39 H new ATOM 0 HB2 ARG A 114 22.823 33.169 15.387 1.00 24.05 H new ATOM 0 HB3 ARG A 114 21.791 32.052 15.734 1.00 24.05 H new ATOM 0 HG2 ARG A 114 24.466 31.427 15.046 1.00 28.50 H new ATOM 0 HG3 ARG A 114 24.028 31.622 16.530 1.00 28.50 H new ATOM 0 HD2 ARG A 114 22.423 29.830 16.133 1.00 34.09 H new ATOM 0 HD3 ARG A 114 23.214 29.543 14.820 1.00 34.09 H new ATOM 0 HE ARG A 114 24.701 28.460 16.018 1.00 40.73 H new ATOM 0 HH11 ARG A 114 23.152 30.409 18.239 1.00 47.50 H new ATOM 0 HH12 ARG A 114 23.827 29.839 19.439 1.00 47.50 H new ATOM 0 HH21 ARG A 114 25.700 27.644 17.904 1.00 46.57 H new ATOM 0 HH22 ARG A 114 25.341 28.196 19.240 1.00 46.57 H new ATOM 842 N PRO A 115 20.537 33.040 12.144 1.00 19.42 N ATOM 843 CA PRO A 115 19.330 33.789 11.821 1.00 18.65 C ATOM 844 C PRO A 115 18.143 33.259 12.587 1.00 18.21 C ATOM 845 O PRO A 115 18.139 32.063 12.930 1.00 18.79 O ATOM 846 CB PRO A 115 19.195 33.564 10.329 1.00 18.91 C ATOM 847 CG PRO A 115 19.868 32.352 10.078 1.00 18.38 C ATOM 848 CD PRO A 115 21.022 32.255 11.012 1.00 19.61 C ATOM 0 HA PRO A 115 19.374 34.729 12.058 1.00 18.65 H new ATOM 0 HB2 PRO A 115 18.263 33.509 10.065 1.00 18.91 H new ATOM 0 HB3 PRO A 115 19.589 34.295 9.827 1.00 18.91 H new ATOM 0 HG2 PRO A 115 19.268 31.600 10.203 1.00 18.38 H new ATOM 0 HG3 PRO A 115 20.174 32.320 9.158 1.00 18.38 H new ATOM 0 HD2 PRO A 115 21.217 31.338 11.259 1.00 19.61 H new ATOM 0 HD3 PRO A 115 21.834 32.625 10.631 1.00 19.61 H new ATOM 849 N ARG A 116 17.108 34.076 12.746 1.00 19.20 N ATOM 850 CA ARG A 116 15.962 33.640 13.500 1.00 19.42 C ATOM 851 C ARG A 116 15.213 32.578 12.682 1.00 19.91 C ATOM 852 O ARG A 116 14.614 31.646 13.268 1.00 21.69 O ATOM 853 CB ARG A 116 15.080 34.817 13.879 1.00 19.87 C ATOM 854 CG ARG A 116 15.686 35.886 14.912 1.00 21.23 C ATOM 855 CD ARG A 116 16.251 35.298 16.178 1.00 25.45 C ATOM 856 NE ARG A 116 15.377 34.245 16.686 1.00 26.53 N ATOM 857 CZ ARG A 116 14.305 34.433 17.446 1.00 27.80 C ATOM 858 NH1 ARG A 116 13.983 35.656 17.827 1.00 25.93 N ATOM 859 NH2 ARG A 116 13.540 33.394 17.809 1.00 22.91 N ATOM 0 H ARG A 116 17.057 34.873 12.428 1.00 19.20 H new ATOM 0 HA ARG A 116 16.244 33.239 14.337 1.00 19.42 H new ATOM 0 HB2 ARG A 116 14.841 35.288 13.065 1.00 19.87 H new ATOM 0 HB3 ARG A 116 14.258 34.467 14.256 1.00 19.87 H new ATOM 0 HG2 ARG A 116 16.385 36.388 14.464 1.00 21.23 H new ATOM 0 HG3 ARG A 116 14.989 36.518 15.148 1.00 21.23 H new ATOM 0 HD2 ARG A 116 17.135 34.938 16.007 1.00 25.45 H new ATOM 0 HD3 ARG A 116 16.352 35.993 16.847 1.00 25.45 H new ATOM 0 HE ARG A 116 15.573 33.435 16.475 1.00 26.53 H new ATOM 0 HH11 ARG A 116 14.467 36.324 17.583 1.00 25.93 H new ATOM 0 HH12 ARG A 116 13.290 35.784 18.319 1.00 25.93 H new ATOM 0 HH21 ARG A 116 13.743 32.600 17.549 1.00 22.91 H new ATOM 0 HH22 ARG A 116 12.847 33.522 18.302 1.00 22.91 H new ATOM 860 N ILE A 117 15.215 32.745 11.360 1.00 18.22 N ATOM 861 CA ILE A 117 14.497 31.871 10.501 1.00 17.30 C ATOM 862 C ILE A 117 15.353 31.598 9.300 1.00 17.64 C ATOM 863 O ILE A 117 15.951 32.511 8.772 1.00 15.89 O ATOM 864 CB ILE A 117 13.181 32.532 10.015 1.00 18.45 C ATOM 865 CG1 ILE A 117 12.299 32.960 11.211 1.00 18.23 C ATOM 866 CG2 ILE A 117 12.416 31.612 9.049 1.00 16.53 C ATOM 867 CD1 ILE A 117 11.196 33.834 10.723 1.00 21.33 C ATOM 0 H ILE A 117 15.639 33.374 10.955 1.00 18.22 H new ATOM 0 HA ILE A 117 14.282 31.057 10.983 1.00 17.30 H new ATOM 0 HB ILE A 117 13.416 33.334 9.523 1.00 18.45 H new ATOM 0 HG12 ILE A 117 11.934 32.178 11.653 1.00 18.23 H new ATOM 0 HG13 ILE A 117 12.834 33.433 11.868 1.00 18.23 H new ATOM 0 HG21 ILE A 117 11.600 32.051 8.762 1.00 16.53 H new ATOM 0 HG22 ILE A 117 12.970 31.423 8.275 1.00 16.53 H new ATOM 0 HG23 ILE A 117 12.196 30.782 9.499 1.00 16.53 H new ATOM 0 HD11 ILE A 117 10.641 34.104 11.472 1.00 21.33 H new ATOM 0 HD12 ILE A 117 11.571 34.622 10.298 1.00 21.33 H new ATOM 0 HD13 ILE A 117 10.657 33.347 10.081 1.00 21.33 H new ATOM 868 N VAL A 118 15.384 30.346 8.889 1.00 14.65 N ATOM 869 CA VAL A 118 15.848 30.015 7.540 1.00 14.76 C ATOM 870 C VAL A 118 14.624 29.515 6.719 1.00 14.96 C ATOM 871 O VAL A 118 14.000 28.574 7.115 1.00 15.70 O ATOM 872 CB VAL A 118 16.917 28.884 7.587 1.00 15.65 C ATOM 873 CG1 VAL A 118 17.317 28.371 6.202 1.00 16.46 C ATOM 874 CG2 VAL A 118 18.107 29.388 8.200 1.00 15.32 C ATOM 0 H VAL A 118 15.144 29.671 9.365 1.00 14.65 H new ATOM 0 HA VAL A 118 16.247 30.801 7.135 1.00 14.76 H new ATOM 0 HB VAL A 118 16.517 28.154 8.085 1.00 15.65 H new ATOM 0 HG11 VAL A 118 17.982 27.671 6.296 1.00 16.46 H new ATOM 0 HG12 VAL A 118 16.536 28.015 5.750 1.00 16.46 H new ATOM 0 HG13 VAL A 118 17.687 29.101 5.681 1.00 16.46 H new ATOM 0 HG21 VAL A 118 18.777 28.687 8.232 1.00 15.32 H new ATOM 0 HG22 VAL A 118 18.446 30.135 7.683 1.00 15.32 H new ATOM 0 HG23 VAL A 118 17.906 29.684 9.102 1.00 15.32 H new ATOM 875 N ALA A 119 14.334 30.132 5.593 1.00 16.03 N ATOM 876 CA ALA A 119 13.225 29.724 4.736 1.00 15.95 C ATOM 877 C ALA A 119 13.749 29.332 3.347 1.00 15.49 C ATOM 878 O ALA A 119 14.409 30.117 2.663 1.00 14.97 O ATOM 879 CB ALA A 119 12.150 30.829 4.669 1.00 16.76 C ATOM 0 H ALA A 119 14.775 30.807 5.295 1.00 16.03 H new ATOM 0 HA ALA A 119 12.798 28.941 5.118 1.00 15.95 H new ATOM 0 HB1 ALA A 119 11.423 30.539 4.096 1.00 16.76 H new ATOM 0 HB2 ALA A 119 11.809 31.003 5.560 1.00 16.76 H new ATOM 0 HB3 ALA A 119 12.541 31.640 4.309 1.00 16.76 H new ATOM 880 N PHE A 120 13.580 28.059 3.005 1.00 13.89 N ATOM 881 CA PHE A 120 13.867 27.590 1.682 1.00 14.26 C ATOM 882 C PHE A 120 12.802 28.063 0.708 1.00 15.91 C ATOM 883 O PHE A 120 11.574 27.895 0.945 1.00 15.90 O ATOM 884 CB PHE A 120 13.957 26.051 1.673 1.00 16.03 C ATOM 885 CG PHE A 120 15.105 25.501 2.490 1.00 16.70 C ATOM 886 CD1 PHE A 120 16.365 25.418 1.925 1.00 18.83 C ATOM 887 CD2 PHE A 120 14.957 25.193 3.810 1.00 18.19 C ATOM 888 CE1 PHE A 120 17.441 24.922 2.649 1.00 16.88 C ATOM 889 CE2 PHE A 120 16.028 24.681 4.508 1.00 22.98 C ATOM 890 CZ PHE A 120 17.268 24.595 3.900 1.00 17.91 C ATOM 0 H PHE A 120 13.295 27.452 3.543 1.00 13.89 H new ATOM 0 HA PHE A 120 14.721 27.954 1.402 1.00 14.26 H new ATOM 0 HB2 PHE A 120 13.125 25.685 2.012 1.00 16.03 H new ATOM 0 HB3 PHE A 120 14.048 25.746 0.757 1.00 16.03 H new ATOM 0 HD1 PHE A 120 16.493 25.698 1.048 1.00 18.83 H new ATOM 0 HD2 PHE A 120 14.141 25.327 4.235 1.00 18.19 H new ATOM 0 HE1 PHE A 120 18.274 24.824 2.247 1.00 16.88 H new ATOM 0 HE2 PHE A 120 15.918 24.394 5.386 1.00 22.98 H new ATOM 0 HZ PHE A 120 17.996 24.297 4.396 1.00 17.91 H new ATOM 891 N THR A 121 13.239 28.628 -0.413 1.00 14.65 N ATOM 892 CA THR A 121 12.351 29.246 -1.393 1.00 16.37 C ATOM 893 C THR A 121 11.843 28.241 -2.398 1.00 16.80 C ATOM 894 O THR A 121 11.194 28.653 -3.340 1.00 18.74 O ATOM 895 CB THR A 121 12.996 30.468 -2.106 1.00 16.06 C ATOM 896 OG1 THR A 121 14.161 30.033 -2.841 1.00 16.56 O ATOM 897 CG2 THR A 121 13.535 31.425 -1.048 1.00 16.47 C ATOM 0 H THR A 121 14.071 28.664 -0.629 1.00 14.65 H new ATOM 0 HA THR A 121 11.591 29.582 -0.892 1.00 16.37 H new ATOM 0 HB THR A 121 12.331 30.878 -2.681 1.00 16.06 H new ATOM 0 HG1 THR A 121 14.657 30.693 -2.996 1.00 16.56 H new ATOM 0 HG21 THR A 121 13.940 32.192 -1.482 1.00 16.47 H new ATOM 0 HG22 THR A 121 12.807 31.722 -0.480 1.00 16.47 H new ATOM 0 HG23 THR A 121 14.201 30.970 -0.509 1.00 16.47 H new ATOM 898 N SER A 122 12.144 26.971 -2.185 1.00 16.66 N ATOM 899 CA SER A 122 11.466 25.892 -2.923 1.00 17.95 C ATOM 900 C SER A 122 11.564 24.605 -2.163 1.00 17.75 C ATOM 901 O SER A 122 12.423 24.436 -1.294 1.00 17.12 O ATOM 902 CB SER A 122 12.092 25.748 -4.290 1.00 20.32 C ATOM 903 OG SER A 122 13.451 25.306 -4.160 1.00 19.11 O ATOM 0 H SER A 122 12.735 26.703 -1.621 1.00 16.66 H new ATOM 0 HA SER A 122 10.527 26.113 -3.026 1.00 17.95 H new ATOM 0 HB2 SER A 122 11.586 25.113 -4.821 1.00 20.32 H new ATOM 0 HB3 SER A 122 12.063 26.597 -4.759 1.00 20.32 H new ATOM 0 HG SER A 122 13.757 25.553 -3.418 1.00 19.11 H new ATOM 904 N LYS A 123 10.659 23.652 -2.434 1.00 17.62 N ATOM 905 CA LYS A 123 10.825 22.333 -1.836 1.00 18.88 C ATOM 906 C LYS A 123 12.159 21.673 -2.136 1.00 17.96 C ATOM 907 O LYS A 123 12.726 21.018 -1.265 1.00 19.07 O ATOM 908 CB LYS A 123 9.697 21.400 -2.320 1.00 21.08 C ATOM 909 CG LYS A 123 8.397 21.780 -1.783 1.00 21.27 C ATOM 910 CD LYS A 123 7.441 20.554 -1.735 1.00 26.08 C ATOM 911 CE LYS A 123 6.023 20.918 -1.409 1.00 28.41 C ATOM 912 NZ LYS A 123 5.292 19.632 -1.272 1.00 29.32 N ATOM 0 H LYS A 123 9.971 23.748 -2.941 1.00 17.62 H new ATOM 0 HA LYS A 123 10.791 22.473 -0.877 1.00 18.88 H new ATOM 0 HB2 LYS A 123 9.661 21.415 -3.289 1.00 21.08 H new ATOM 0 HB3 LYS A 123 9.899 20.488 -2.058 1.00 21.08 H new ATOM 0 HG2 LYS A 123 8.505 22.147 -0.891 1.00 21.27 H new ATOM 0 HG3 LYS A 123 8.007 22.478 -2.332 1.00 21.27 H new ATOM 0 HD2 LYS A 123 7.463 20.101 -2.593 1.00 26.08 H new ATOM 0 HD3 LYS A 123 7.767 19.924 -1.073 1.00 26.08 H new ATOM 0 HE2 LYS A 123 5.977 21.433 -0.588 1.00 28.41 H new ATOM 0 HE3 LYS A 123 5.635 21.465 -2.110 1.00 28.41 H new ATOM 0 HZ1 LYS A 123 4.433 19.757 -1.467 1.00 29.32 H new ATOM 0 HZ2 LYS A 123 5.639 19.032 -1.831 1.00 29.32 H new ATOM 0 HZ3 LYS A 123 5.366 19.336 -0.436 1.00 29.32 H new ATOM 913 N ARG A 124 12.679 21.810 -3.353 1.00 18.04 N ATOM 914 CA ARG A 124 13.896 21.129 -3.724 1.00 17.98 C ATOM 915 C ARG A 124 15.086 21.469 -2.807 1.00 17.92 C ATOM 916 O ARG A 124 15.871 20.596 -2.410 1.00 19.01 O ATOM 917 CB ARG A 124 14.263 21.416 -5.206 1.00 15.45 C ATOM 918 CG ARG A 124 15.561 20.714 -5.642 1.00 18.75 C ATOM 919 CD ARG A 124 15.443 19.189 -5.633 1.00 19.84 C ATOM 920 NE ARG A 124 16.659 18.445 -6.028 1.00 18.65 N ATOM 921 CZ ARG A 124 16.984 18.117 -7.284 1.00 21.40 C ATOM 922 NH1 ARG A 124 16.228 18.512 -8.303 1.00 25.29 N ATOM 923 NH2 ARG A 124 18.078 17.447 -7.526 1.00 24.72 N ATOM 0 H ARG A 124 12.336 22.296 -3.974 1.00 18.04 H new ATOM 0 HA ARG A 124 13.717 20.182 -3.614 1.00 17.98 H new ATOM 0 HB2 ARG A 124 13.535 21.126 -5.778 1.00 15.45 H new ATOM 0 HB3 ARG A 124 14.359 22.373 -5.332 1.00 15.45 H new ATOM 0 HG2 ARG A 124 15.800 21.010 -6.534 1.00 18.75 H new ATOM 0 HG3 ARG A 124 16.282 20.982 -5.052 1.00 18.75 H new ATOM 0 HD2 ARG A 124 15.188 18.907 -4.741 1.00 19.84 H new ATOM 0 HD3 ARG A 124 14.721 18.934 -6.229 1.00 19.84 H new ATOM 0 HE ARG A 124 17.198 18.205 -5.403 1.00 18.65 H new ATOM 0 HH11 ARG A 124 15.523 18.983 -8.158 1.00 25.29 H new ATOM 0 HH12 ARG A 124 16.444 18.297 -9.107 1.00 25.29 H new ATOM 0 HH21 ARG A 124 18.593 17.215 -6.877 1.00 24.72 H new ATOM 0 HH22 ARG A 124 18.284 17.238 -8.334 1.00 24.72 H new ATOM 924 N GLY A 125 15.279 22.756 -2.545 1.00 18.04 N ATOM 925 CA GLY A 125 16.322 23.223 -1.659 1.00 18.70 C ATOM 926 C GLY A 125 16.246 22.608 -0.274 1.00 18.78 C ATOM 927 O GLY A 125 17.264 22.170 0.290 1.00 20.64 O ATOM 0 H GLY A 125 14.800 23.385 -2.883 1.00 18.04 H new ATOM 0 HA2 GLY A 125 17.186 23.020 -2.050 1.00 18.70 H new ATOM 0 HA3 GLY A 125 16.265 24.188 -1.582 1.00 18.70 H new ATOM 928 N ALA A 126 15.057 22.631 0.295 1.00 18.54 N ATOM 929 CA ALA A 126 14.788 22.025 1.586 1.00 19.16 C ATOM 930 C ALA A 126 15.091 20.525 1.530 1.00 20.97 C ATOM 931 O ALA A 126 15.779 19.994 2.390 1.00 21.33 O ATOM 932 CB ALA A 126 13.369 22.255 1.968 1.00 19.55 C ATOM 0 H ALA A 126 14.370 23.005 -0.062 1.00 18.54 H new ATOM 0 HA ALA A 126 15.359 22.433 2.256 1.00 19.16 H new ATOM 0 HB1 ALA A 126 13.196 21.848 2.831 1.00 19.55 H new ATOM 0 HB2 ALA A 126 13.198 23.208 2.021 1.00 19.55 H new ATOM 0 HB3 ALA A 126 12.786 21.859 1.301 1.00 19.55 H new ATOM 933 N SER A 127 14.651 19.878 0.468 1.00 22.41 N ATOM 934 CA SER A 127 14.855 18.415 0.322 1.00 23.40 C ATOM 935 C SER A 127 16.318 18.034 0.229 1.00 23.32 C ATOM 936 O SER A 127 16.729 17.085 0.896 1.00 25.84 O ATOM 937 CB SER A 127 14.052 17.851 -0.871 1.00 24.04 C ATOM 938 OG SER A 127 14.581 16.608 -1.326 1.00 25.59 O ATOM 0 H SER A 127 14.232 20.249 -0.185 1.00 22.41 H new ATOM 0 HA SER A 127 14.514 18.008 1.134 1.00 23.40 H new ATOM 0 HB2 SER A 127 13.126 17.732 -0.610 1.00 24.04 H new ATOM 0 HB3 SER A 127 14.061 18.492 -1.599 1.00 24.04 H new ATOM 0 HG SER A 127 14.361 15.998 -0.792 1.00 25.59 H new ATOM 939 N GLU A 128 17.129 18.790 -0.519 1.00 23.96 N ATOM 940 CA GLU A 128 18.554 18.563 -0.624 1.00 24.00 C ATOM 941 C GLU A 128 19.232 18.763 0.699 1.00 25.73 C ATOM 942 O GLU A 128 20.253 18.169 0.960 1.00 28.98 O ATOM 943 CB GLU A 128 19.202 19.490 -1.671 1.00 24.29 C ATOM 944 CG GLU A 128 18.796 19.124 -3.087 1.00 24.01 C ATOM 945 CD GLU A 128 19.325 17.795 -3.578 1.00 24.73 C ATOM 946 OE1 GLU A 128 20.285 17.246 -2.968 1.00 22.81 O ATOM 947 OE2 GLU A 128 18.811 17.316 -4.634 1.00 21.21 O ATOM 0 H GLU A 128 16.852 19.458 -0.984 1.00 23.96 H new ATOM 0 HA GLU A 128 18.670 17.643 -0.908 1.00 24.00 H new ATOM 0 HB2 GLU A 128 18.947 20.408 -1.490 1.00 24.29 H new ATOM 0 HB3 GLU A 128 20.167 19.442 -1.590 1.00 24.29 H new ATOM 0 HG2 GLU A 128 17.827 19.111 -3.139 1.00 24.01 H new ATOM 0 HG3 GLU A 128 19.102 19.821 -3.688 1.00 24.01 H new ATOM 948 N THR A 129 18.673 19.586 1.542 1.00 25.49 N ATOM 949 CA THR A 129 19.279 19.903 2.798 1.00 26.60 C ATOM 950 C THR A 129 18.814 18.962 3.906 1.00 28.76 C ATOM 951 O THR A 129 19.627 18.550 4.725 1.00 31.02 O ATOM 952 CB THR A 129 18.959 21.356 3.199 1.00 26.44 C ATOM 953 OG1 THR A 129 19.465 22.265 2.220 1.00 21.18 O ATOM 954 CG2 THR A 129 19.698 21.725 4.526 1.00 26.88 C ATOM 0 H THR A 129 17.922 19.981 1.400 1.00 25.49 H new ATOM 0 HA THR A 129 20.237 19.796 2.688 1.00 26.60 H new ATOM 0 HB THR A 129 17.995 21.422 3.289 1.00 26.44 H new ATOM 0 HG1 THR A 129 18.915 22.332 1.589 1.00 21.18 H new ATOM 0 HG21 THR A 129 19.490 22.641 4.769 1.00 26.88 H new ATOM 0 HG22 THR A 129 19.408 21.129 5.234 1.00 26.88 H new ATOM 0 HG23 THR A 129 20.655 21.634 4.399 1.00 26.88 H new ATOM 955 N LEU A 130 17.529 18.656 3.943 1.00 30.46 N ATOM 956 CA LEU A 130 16.948 17.871 5.035 1.00 34.42 C ATOM 957 C LEU A 130 17.047 16.382 4.802 1.00 36.56 C ATOM 958 O LEU A 130 16.814 15.597 5.735 1.00 38.27 O ATOM 959 CB LEU A 130 15.503 18.278 5.255 1.00 34.50 C ATOM 960 CG LEU A 130 15.392 19.706 5.805 1.00 36.65 C ATOM 961 CD1 LEU A 130 14.026 20.255 5.663 1.00 37.97 C ATOM 962 CD2 LEU A 130 15.791 19.747 7.267 1.00 41.45 C ATOM 0 H LEU A 130 16.964 18.894 3.340 1.00 30.46 H new ATOM 0 HA LEU A 130 17.466 18.063 5.832 1.00 34.42 H new ATOM 0 HB2 LEU A 130 15.018 18.215 4.417 1.00 34.50 H new ATOM 0 HB3 LEU A 130 15.083 17.660 5.873 1.00 34.50 H new ATOM 0 HG LEU A 130 15.997 20.254 5.281 1.00 36.65 H new ATOM 0 HD11 LEU A 130 14.000 21.156 6.022 1.00 37.97 H new ATOM 0 HD12 LEU A 130 13.781 20.274 4.725 1.00 37.97 H new ATOM 0 HD13 LEU A 130 13.400 19.696 6.149 1.00 37.97 H new ATOM 0 HD21 LEU A 130 15.715 20.656 7.598 1.00 41.45 H new ATOM 0 HD22 LEU A 130 15.206 19.167 7.779 1.00 41.45 H new ATOM 0 HD23 LEU A 130 16.708 19.445 7.361 1.00 41.45 H new ATOM 963 N GLY A 131 17.423 15.990 3.581 1.00 38.45 N ATOM 964 CA GLY A 131 17.670 14.596 3.226 1.00 39.65 C ATOM 965 C GLY A 131 16.393 13.790 2.993 1.00 40.39 C ATOM 966 O GLY A 131 16.440 12.538 2.902 1.00 40.67 O ATOM 0 H GLY A 131 17.542 16.538 2.929 1.00 38.45 H new ATOM 0 HA2 GLY A 131 18.214 14.566 2.423 1.00 39.65 H new ATOM 0 HA3 GLY A 131 18.184 14.176 3.933 1.00 39.65 H new ATOM 967 N VAL A 132 15.260 14.496 2.906 1.00 40.41 N ATOM 968 CA VAL A 132 13.950 13.894 2.691 1.00 40.79 C ATOM 969 C VAL A 132 13.289 14.360 1.363 1.00 40.61 C ATOM 970 O VAL A 132 13.349 15.567 1.023 1.00 39.30 O ATOM 971 CB VAL A 132 12.991 14.172 3.879 1.00 41.00 C ATOM 972 CG1 VAL A 132 13.760 14.361 5.192 1.00 42.58 C ATOM 973 CG2 VAL A 132 12.086 15.356 3.630 1.00 42.14 C ATOM 0 H VAL A 132 15.237 15.353 2.972 1.00 40.41 H new ATOM 0 HA VAL A 132 14.105 12.938 2.628 1.00 40.79 H new ATOM 0 HB VAL A 132 12.429 13.386 3.959 1.00 41.00 H new ATOM 0 HG11 VAL A 132 13.133 14.533 5.912 1.00 42.58 H new ATOM 0 HG12 VAL A 132 14.267 13.558 5.389 1.00 42.58 H new ATOM 0 HG13 VAL A 132 14.367 15.113 5.106 1.00 42.58 H new ATOM 0 HG21 VAL A 132 11.508 15.489 4.398 1.00 42.14 H new ATOM 0 HG22 VAL A 132 12.624 16.151 3.489 1.00 42.14 H new ATOM 0 HG23 VAL A 132 11.544 15.190 2.843 1.00 42.14 H new ATOM 974 N PRO A 133 12.601 13.439 0.659 1.00 39.04 N ATOM 975 CA PRO A 133 12.004 13.737 -0.659 1.00 37.94 C ATOM 976 C PRO A 133 10.961 14.861 -0.591 1.00 36.98 C ATOM 977 O PRO A 133 10.300 14.994 0.458 1.00 37.89 O ATOM 978 CB PRO A 133 11.280 12.412 -1.021 1.00 38.47 C ATOM 979 CG PRO A 133 10.922 11.850 0.307 1.00 38.54 C ATOM 980 CD PRO A 133 12.234 12.074 1.107 1.00 39.32 C ATOM 0 HA PRO A 133 12.675 14.029 -1.295 1.00 37.94 H new ATOM 0 HB2 PRO A 133 10.494 12.570 -1.567 1.00 38.47 H new ATOM 0 HB3 PRO A 133 11.857 11.813 -1.520 1.00 38.47 H new ATOM 0 HG2 PRO A 133 10.168 12.311 0.707 1.00 38.54 H new ATOM 0 HG3 PRO A 133 10.684 10.911 0.253 1.00 38.54 H new ATOM 0 HD2 PRO A 133 12.093 12.027 2.066 1.00 39.32 H new ATOM 0 HD3 PRO A 133 12.915 11.419 0.888 1.00 39.32 H new ATOM 981 N THR A 134 10.802 15.630 -1.679 1.00 36.03 N ATOM 982 CA THR A 134 9.944 16.811 -1.700 1.00 35.73 C ATOM 983 C THR A 134 8.492 16.515 -1.360 1.00 36.82 C ATOM 984 O THR A 134 7.811 17.340 -0.743 1.00 35.64 O ATOM 985 CB THR A 134 9.981 17.511 -3.086 1.00 35.67 C ATOM 986 OG1 THR A 134 9.654 16.582 -4.139 1.00 34.29 O ATOM 987 CG2 THR A 134 11.380 18.008 -3.401 1.00 32.65 C ATOM 0 H THR A 134 11.195 15.474 -2.428 1.00 36.03 H new ATOM 0 HA THR A 134 10.305 17.392 -1.012 1.00 35.73 H new ATOM 0 HB THR A 134 9.343 18.240 -3.043 1.00 35.67 H new ATOM 0 HG1 THR A 134 9.678 16.978 -4.879 1.00 34.29 H new ATOM 0 HG21 THR A 134 11.382 18.441 -4.269 1.00 32.65 H new ATOM 0 HG22 THR A 134 11.658 18.643 -2.723 1.00 32.65 H new ATOM 0 HG23 THR A 134 11.995 17.258 -3.413 1.00 32.65 H new ATOM 988 N GLY A 135 8.008 15.341 -1.772 1.00 38.30 N ATOM 989 CA GLY A 135 6.592 15.030 -1.614 1.00 40.18 C ATOM 990 C GLY A 135 6.187 14.816 -0.167 1.00 42.01 C ATOM 991 O GLY A 135 4.993 14.858 0.169 1.00 43.08 O ATOM 0 H GLY A 135 8.477 14.721 -2.140 1.00 38.30 H new ATOM 0 HA2 GLY A 135 6.064 15.752 -1.988 1.00 40.18 H new ATOM 0 HA3 GLY A 135 6.383 14.232 -2.124 1.00 40.18 H new ATOM 992 N LYS A 136 7.181 14.597 0.697 1.00 43.21 N ATOM 993 CA LYS A 136 6.948 14.456 2.128 1.00 44.60 C ATOM 994 C LYS A 136 7.201 15.740 2.936 1.00 43.90 C ATOM 995 O LYS A 136 7.198 15.692 4.166 1.00 45.78 O ATOM 996 CB LYS A 136 7.783 13.295 2.674 1.00 45.61 C ATOM 997 CG LYS A 136 7.056 12.444 3.747 1.00 48.58 C ATOM 998 CD LYS A 136 6.595 11.052 3.213 1.00 52.63 C ATOM 999 CE LYS A 136 5.160 10.656 3.672 1.00 54.85 C ATOM 1000 NZ LYS A 136 4.262 10.277 2.515 1.00 54.16 N ATOM 0 H LYS A 136 8.006 14.527 0.466 1.00 43.21 H new ATOM 0 HA LYS A 136 6.003 14.268 2.237 1.00 44.60 H new ATOM 0 HB2 LYS A 136 8.040 12.719 1.937 1.00 45.61 H new ATOM 0 HB3 LYS A 136 8.602 13.649 3.056 1.00 45.61 H new ATOM 0 HG2 LYS A 136 7.647 12.314 4.505 1.00 48.58 H new ATOM 0 HG3 LYS A 136 6.283 12.933 4.071 1.00 48.58 H new ATOM 0 HD2 LYS A 136 6.627 11.059 2.244 1.00 52.63 H new ATOM 0 HD3 LYS A 136 7.221 10.375 3.513 1.00 52.63 H new ATOM 0 HE2 LYS A 136 5.216 9.911 4.291 1.00 54.85 H new ATOM 0 HE3 LYS A 136 4.763 11.397 4.156 1.00 54.85 H new ATOM 0 HZ1 LYS A 136 3.456 10.059 2.823 1.00 54.16 H new ATOM 0 HZ2 LYS A 136 4.189 10.967 1.957 1.00 54.16 H new ATOM 0 HZ3 LYS A 136 4.612 9.582 2.083 1.00 54.16 H new ATOM 1001 N LEU A 137 7.394 16.881 2.255 1.00 41.84 N ATOM 1002 CA LEU A 137 7.535 18.191 2.898 1.00 39.31 C ATOM 1003 C LEU A 137 6.307 19.063 2.644 1.00 38.37 C ATOM 1004 O LEU A 137 5.947 19.288 1.470 1.00 39.04 O ATOM 1005 CB LEU A 137 8.776 18.934 2.334 1.00 38.26 C ATOM 1006 CG LEU A 137 10.161 18.384 2.658 1.00 37.11 C ATOM 1007 CD1 LEU A 137 11.246 19.074 1.878 1.00 34.88 C ATOM 1008 CD2 LEU A 137 10.478 18.493 4.146 1.00 35.26 C ATOM 0 H LEU A 137 7.447 16.912 1.397 1.00 41.84 H new ATOM 0 HA LEU A 137 7.634 18.038 3.851 1.00 39.31 H new ATOM 0 HB2 LEU A 137 8.689 18.964 1.368 1.00 38.26 H new ATOM 0 HB3 LEU A 137 8.741 19.850 2.651 1.00 38.26 H new ATOM 0 HG LEU A 137 10.139 17.449 2.401 1.00 37.11 H new ATOM 0 HD11 LEU A 137 12.107 18.694 2.115 1.00 34.88 H new ATOM 0 HD12 LEU A 137 11.089 18.953 0.928 1.00 34.88 H new ATOM 0 HD13 LEU A 137 11.243 20.021 2.087 1.00 34.88 H new ATOM 0 HD21 LEU A 137 11.363 18.135 4.315 1.00 35.26 H new ATOM 0 HD22 LEU A 137 10.449 19.424 4.416 1.00 35.26 H new ATOM 0 HD23 LEU A 137 9.823 17.989 4.654 1.00 35.26 H new ATOM 1009 N PRO A 138 5.668 19.581 3.701 1.00 35.54 N ATOM 1010 CA PRO A 138 4.615 20.572 3.532 1.00 35.12 C ATOM 1011 C PRO A 138 5.232 21.960 3.467 1.00 31.93 C ATOM 1012 O PRO A 138 6.419 22.091 3.834 1.00 31.08 O ATOM 1013 CB PRO A 138 3.778 20.390 4.797 1.00 35.50 C ATOM 1014 CG PRO A 138 4.779 20.051 5.826 1.00 35.61 C ATOM 1015 CD PRO A 138 5.844 19.247 5.127 1.00 36.46 C ATOM 0 HA PRO A 138 4.092 20.470 2.721 1.00 35.12 H new ATOM 0 HB2 PRO A 138 3.293 21.199 5.024 1.00 35.50 H new ATOM 0 HB3 PRO A 138 3.121 19.685 4.692 1.00 35.50 H new ATOM 0 HG2 PRO A 138 5.154 20.853 6.222 1.00 35.61 H new ATOM 0 HG3 PRO A 138 4.376 19.541 6.546 1.00 35.61 H new ATOM 0 HD2 PRO A 138 6.731 19.484 5.440 1.00 36.46 H new ATOM 0 HD3 PRO A 138 5.732 18.297 5.285 1.00 36.46 H new ATOM 1016 N TYR A 139 4.485 22.917 2.942 1.00 30.86 N ATOM 1017 CA TYR A 139 4.852 24.325 2.996 1.00 29.67 C ATOM 1018 C TYR A 139 4.668 24.900 4.419 1.00 30.78 C ATOM 1019 O TYR A 139 3.840 24.411 5.200 1.00 30.99 O ATOM 1020 CB TYR A 139 4.050 25.105 1.974 1.00 29.77 C ATOM 1021 CG TYR A 139 4.355 24.746 0.528 1.00 29.54 C ATOM 1022 CD1 TYR A 139 5.642 24.864 0.040 1.00 30.76 C ATOM 1023 CD2 TYR A 139 3.368 24.236 -0.333 1.00 28.80 C ATOM 1024 CE1 TYR A 139 5.949 24.551 -1.286 1.00 27.80 C ATOM 1025 CE2 TYR A 139 3.656 23.941 -1.673 1.00 30.55 C ATOM 1026 CZ TYR A 139 4.949 24.088 -2.132 1.00 31.23 C ATOM 1027 OH TYR A 139 5.292 23.785 -3.395 1.00 32.24 O ATOM 0 H TYR A 139 3.740 22.767 2.539 1.00 30.86 H new ATOM 0 HA TYR A 139 5.793 24.409 2.777 1.00 29.67 H new ATOM 0 HB2 TYR A 139 3.106 24.958 2.140 1.00 29.77 H new ATOM 0 HB3 TYR A 139 4.217 26.052 2.103 1.00 29.77 H new ATOM 0 HD1 TYR A 139 6.318 25.158 0.607 1.00 30.76 H new ATOM 0 HD2 TYR A 139 2.509 24.092 -0.008 1.00 28.80 H new ATOM 0 HE1 TYR A 139 6.818 24.652 -1.601 1.00 27.80 H new ATOM 0 HE2 TYR A 139 2.984 23.650 -2.246 1.00 30.55 H new ATOM 0 HH TYR A 139 4.615 23.516 -3.813 1.00 32.24 H new ATOM 1028 N GLY A 140 5.445 25.928 4.762 1.00 28.97 N ATOM 1029 CA GLY A 140 5.426 26.547 6.080 1.00 28.28 C ATOM 1030 C GLY A 140 6.510 26.061 7.018 1.00 28.85 C ATOM 1031 O GLY A 140 7.513 25.470 6.630 1.00 25.51 O ATOM 0 H GLY A 140 6.008 26.290 4.222 1.00 28.97 H new ATOM 0 HA2 GLY A 140 5.512 27.507 5.975 1.00 28.28 H new ATOM 0 HA3 GLY A 140 4.562 26.383 6.490 1.00 28.28 H new ATOM 1032 N PRO A 141 6.297 26.303 8.310 1.00 30.13 N ATOM 1033 CA PRO A 141 7.249 25.915 9.330 1.00 30.93 C ATOM 1034 C PRO A 141 7.355 24.427 9.474 1.00 33.01 C ATOM 1035 O PRO A 141 6.341 23.721 9.347 1.00 33.36 O ATOM 1036 CB PRO A 141 6.712 26.582 10.618 1.00 31.14 C ATOM 1037 CG PRO A 141 5.489 27.209 10.300 1.00 31.69 C ATOM 1038 CD PRO A 141 5.156 27.047 8.843 1.00 30.99 C ATOM 0 HA PRO A 141 8.151 26.199 9.113 1.00 30.93 H new ATOM 0 HB2 PRO A 141 6.584 25.920 11.316 1.00 31.14 H new ATOM 0 HB3 PRO A 141 7.349 27.231 10.956 1.00 31.14 H new ATOM 0 HG2 PRO A 141 4.778 26.830 10.841 1.00 31.69 H new ATOM 0 HG3 PRO A 141 5.540 28.152 10.520 1.00 31.69 H new ATOM 0 HD2 PRO A 141 4.325 26.563 8.719 1.00 30.99 H new ATOM 0 HD3 PRO A 141 5.053 27.905 8.403 1.00 30.99 H new ATOM 1039 N GLN A 142 8.563 23.942 9.623 1.00 32.73 N ATOM 1040 CA GLN A 142 8.836 22.542 9.757 1.00 35.22 C ATOM 1041 C GLN A 142 9.145 22.297 11.217 1.00 38.93 C ATOM 1042 O GLN A 142 9.261 23.263 11.989 1.00 36.60 O ATOM 1043 CB GLN A 142 10.011 22.165 8.895 1.00 35.66 C ATOM 1044 CG GLN A 142 9.859 22.667 7.455 1.00 33.90 C ATOM 1045 CD GLN A 142 8.808 21.910 6.709 1.00 28.96 C ATOM 1046 OE1 GLN A 142 8.943 20.707 6.583 1.00 34.44 O ATOM 1047 NE2 GLN A 142 7.776 22.594 6.221 1.00 28.71 N ATOM 0 H GLN A 142 9.267 24.435 9.650 1.00 32.73 H new ATOM 0 HA GLN A 142 8.080 22.005 9.472 1.00 35.22 H new ATOM 0 HB2 GLN A 142 10.823 22.532 9.279 1.00 35.66 H new ATOM 0 HB3 GLN A 142 10.110 21.200 8.890 1.00 35.66 H new ATOM 0 HG2 GLN A 142 9.633 23.610 7.464 1.00 33.90 H new ATOM 0 HG3 GLN A 142 10.707 22.583 6.992 1.00 33.90 H new ATOM 0 HE21 GLN A 142 7.730 23.445 6.339 1.00 28.71 H new ATOM 0 HE22 GLN A 142 7.156 22.185 5.788 1.00 28.71 H new ATOM 1048 N PRO A 143 9.233 21.023 11.608 1.00 43.44 N ATOM 1049 CA PRO A 143 9.782 20.661 12.917 1.00 46.07 C ATOM 1050 C PRO A 143 11.307 20.765 12.894 1.00 48.77 C ATOM 1051 O PRO A 143 11.916 20.482 11.847 1.00 49.09 O ATOM 1052 CB PRO A 143 9.318 19.191 13.099 1.00 46.24 C ATOM 1053 CG PRO A 143 8.354 18.902 11.963 1.00 45.19 C ATOM 1054 CD PRO A 143 8.765 19.822 10.870 1.00 44.10 C ATOM 0 HA PRO A 143 9.487 21.237 13.639 1.00 46.07 H new ATOM 0 HB2 PRO A 143 10.074 18.584 13.073 1.00 46.24 H new ATOM 0 HB3 PRO A 143 8.886 19.069 13.959 1.00 46.24 H new ATOM 0 HG2 PRO A 143 8.409 17.975 11.682 1.00 45.19 H new ATOM 0 HG3 PRO A 143 7.436 19.063 12.231 1.00 45.19 H new ATOM 0 HD2 PRO A 143 9.469 19.439 10.323 1.00 44.10 H new ATOM 0 HD3 PRO A 143 8.026 20.029 10.277 1.00 44.10 H new ATOM 1055 N GLN A 144 11.917 21.128 14.034 1.00 51.53 N ATOM 1056 CA GLN A 144 13.382 21.322 14.110 1.00 52.72 C ATOM 1057 C GLN A 144 14.205 20.037 13.738 1.00 55.33 C ATOM 1058 O GLN A 144 14.063 19.018 14.389 1.00 56.31 O ATOM 1059 CB GLN A 144 13.779 21.897 15.509 1.00 52.33 C ATOM 1060 CG GLN A 144 13.076 23.194 15.970 1.00 48.65 C ATOM 1061 CD GLN A 144 13.525 24.465 15.216 1.00 45.10 C ATOM 1062 OE1 GLN A 144 12.631 25.240 14.779 1.00 39.33 O ATOM 1063 NE2 GLN A 144 14.756 24.716 15.072 1.00 39.88 N ATOM 0 H GLN A 144 11.503 21.267 14.775 1.00 51.53 H new ATOM 0 HA GLN A 144 13.620 21.973 13.431 1.00 52.72 H new ATOM 0 HB2 GLN A 144 13.609 21.211 16.174 1.00 52.33 H new ATOM 0 HB3 GLN A 144 14.735 22.059 15.506 1.00 52.33 H new ATOM 0 HG2 GLN A 144 12.118 23.087 15.859 1.00 48.65 H new ATOM 0 HG3 GLN A 144 13.240 23.318 16.918 1.00 48.65 H new ATOM 0 HE21 GLN A 144 15.345 24.170 15.380 1.00 39.88 H new ATOM 0 HE22 GLN A 144 15.004 25.433 14.666 1.00 39.88 H new ATOM 1064 N PRO A 145 15.060 20.075 12.706 1.00 58.03 N ATOM 1065 CA PRO A 145 15.806 18.883 12.235 1.00 59.72 C ATOM 1066 C PRO A 145 17.200 18.548 12.895 1.00 61.19 C ATOM 1067 O PRO A 145 17.278 18.544 14.134 1.00 61.37 O ATOM 1068 CB PRO A 145 15.971 19.180 10.736 1.00 59.93 C ATOM 1069 CG PRO A 145 16.246 20.667 10.735 1.00 59.30 C ATOM 1070 CD PRO A 145 15.356 21.247 11.856 1.00 58.58 C ATOM 0 HA PRO A 145 15.311 18.085 12.478 1.00 59.72 H new ATOM 0 HB2 PRO A 145 16.702 18.676 10.345 1.00 59.93 H new ATOM 0 HB3 PRO A 145 15.172 18.959 10.232 1.00 59.93 H new ATOM 0 HG2 PRO A 145 17.184 20.850 10.903 1.00 59.30 H new ATOM 0 HG3 PRO A 145 16.029 21.062 9.876 1.00 59.30 H new ATOM 0 HD2 PRO A 145 15.816 21.941 12.353 1.00 58.58 H new ATOM 0 HD3 PRO A 145 14.545 21.643 11.499 1.00 58.58 H new ATOM 1071 N LEU A 146 18.265 18.346 12.091 1.00 62.27 N ATOM 1072 CA LEU A 146 19.346 17.402 12.448 1.00 63.02 C ATOM 1073 C LEU A 146 20.245 17.719 13.694 1.00 62.72 C ATOM 1074 O LEU A 146 19.674 17.631 14.777 1.00 63.09 O ATOM 1075 CB LEU A 146 20.073 16.865 11.198 1.00 63.55 C ATOM 1076 CG LEU A 146 19.369 15.711 10.436 1.00 65.18 C ATOM 1077 CD1 LEU A 146 19.780 15.638 8.940 1.00 66.12 C ATOM 1078 CD2 LEU A 146 19.606 14.344 11.124 1.00 66.00 C ATOM 0 H LEU A 146 18.378 18.745 11.338 1.00 62.27 H new ATOM 0 HA LEU A 146 18.869 16.653 12.840 1.00 63.02 H new ATOM 0 HB2 LEU A 146 20.203 17.602 10.581 1.00 63.55 H new ATOM 0 HB3 LEU A 146 20.954 16.560 11.466 1.00 63.55 H new ATOM 0 HG LEU A 146 18.421 15.913 10.466 1.00 65.18 H new ATOM 0 HD11 LEU A 146 19.314 14.903 8.512 1.00 66.12 H new ATOM 0 HD12 LEU A 146 19.546 16.470 8.499 1.00 66.12 H new ATOM 0 HD13 LEU A 146 20.737 15.496 8.874 1.00 66.12 H new ATOM 0 HD21 LEU A 146 19.154 13.647 10.624 1.00 66.00 H new ATOM 0 HD22 LEU A 146 20.557 14.156 11.152 1.00 66.00 H new ATOM 0 HD23 LEU A 146 19.256 14.372 12.028 1.00 66.00 H new ATOM 1079 N ASP A 147 21.552 18.069 13.703 1.00 62.20 N ATOM 1080 CA ASP A 147 22.445 18.817 12.760 1.00 62.03 C ATOM 1081 C ASP A 147 22.088 20.329 12.566 1.00 60.52 C ATOM 1082 O ASP A 147 22.690 21.017 11.722 1.00 61.14 O ATOM 1083 CB ASP A 147 22.805 18.083 11.427 1.00 62.41 C ATOM 1084 CG ASP A 147 23.642 16.795 11.644 1.00 64.39 C ATOM 1085 OD1 ASP A 147 23.124 15.665 11.433 1.00 64.64 O ATOM 1086 OD2 ASP A 147 24.846 16.826 12.009 1.00 68.19 O ATOM 0 H ASP A 147 22.019 17.830 14.384 1.00 62.20 H new ATOM 0 HA ASP A 147 23.282 18.821 13.250 1.00 62.03 H new ATOM 0 HB2 ASP A 147 21.986 17.855 10.959 1.00 62.41 H new ATOM 0 HB3 ASP A 147 23.299 18.690 10.854 1.00 62.41 H new ATOM 1087 N TRP A 148 21.197 20.851 13.417 1.00 58.29 N ATOM 1088 CA TRP A 148 20.543 22.136 13.165 1.00 56.42 C ATOM 1089 C TRP A 148 20.136 22.863 14.444 1.00 55.35 C ATOM 1090 O TRP A 148 19.542 22.259 15.318 1.00 55.88 O ATOM 1091 CB TRP A 148 19.299 21.900 12.310 1.00 56.02 C ATOM 1092 CG TRP A 148 18.624 23.141 11.787 1.00 52.53 C ATOM 1093 CD1 TRP A 148 17.745 23.949 12.456 1.00 51.28 C ATOM 1094 CD2 TRP A 148 18.761 23.703 10.479 1.00 48.74 C ATOM 1095 NE1 TRP A 148 17.331 24.980 11.643 1.00 48.68 N ATOM 1096 CE2 TRP A 148 17.935 24.845 10.421 1.00 48.25 C ATOM 1097 CE3 TRP A 148 19.494 23.349 9.337 1.00 48.57 C ATOM 1098 CZ2 TRP A 148 17.829 25.635 9.270 1.00 46.08 C ATOM 1099 CZ3 TRP A 148 19.403 24.143 8.211 1.00 47.53 C ATOM 1100 CH2 TRP A 148 18.572 25.270 8.186 1.00 45.77 C ATOM 0 H TRP A 148 20.958 20.471 14.151 1.00 58.29 H new ATOM 0 HA TRP A 148 21.186 22.700 12.708 1.00 56.42 H new ATOM 0 HB2 TRP A 148 19.546 21.343 11.555 1.00 56.02 H new ATOM 0 HB3 TRP A 148 18.656 21.398 12.835 1.00 56.02 H new ATOM 0 HD1 TRP A 148 17.467 23.820 13.334 1.00 51.28 H new ATOM 0 HE1 TRP A 148 16.784 25.605 11.865 1.00 48.68 H new ATOM 0 HE3 TRP A 148 20.033 22.591 9.338 1.00 48.57 H new ATOM 0 HZ2 TRP A 148 17.273 26.380 9.245 1.00 46.08 H new ATOM 0 HZ3 TRP A 148 19.902 23.926 7.457 1.00 47.53 H new ATOM 0 HH2 TRP A 148 18.526 25.782 7.411 1.00 45.77 H new ATOM 1101 N PRO A 149 20.452 24.152 14.562 1.00 54.10 N ATOM 1102 CA PRO A 149 20.096 24.921 15.763 1.00 52.47 C ATOM 1103 C PRO A 149 18.612 25.117 16.021 1.00 51.85 C ATOM 1104 O PRO A 149 17.928 25.831 15.269 1.00 50.54 O ATOM 1105 CB PRO A 149 20.767 26.289 15.537 1.00 53.18 C ATOM 1106 CG PRO A 149 21.048 26.382 14.080 1.00 53.39 C ATOM 1107 CD PRO A 149 21.246 24.957 13.610 1.00 54.29 C ATOM 0 HA PRO A 149 20.392 24.433 16.547 1.00 52.47 H new ATOM 0 HB2 PRO A 149 20.186 27.011 15.824 1.00 53.18 H new ATOM 0 HB3 PRO A 149 21.586 26.362 16.052 1.00 53.18 H new ATOM 0 HG2 PRO A 149 20.313 26.805 13.610 1.00 53.39 H new ATOM 0 HG3 PRO A 149 21.839 26.918 13.911 1.00 53.39 H new ATOM 0 HD2 PRO A 149 20.936 24.837 12.699 1.00 54.29 H new ATOM 0 HD3 PRO A 149 22.182 24.705 13.626 1.00 54.29 H new ATOM 1108 N ALA A 150 18.123 24.550 17.130 1.00 49.28 N ATOM 1109 CA ALA A 150 16.733 24.769 17.556 1.00 47.22 C ATOM 1110 C ALA A 150 16.322 26.237 17.757 1.00 45.32 C ATOM 1111 O ALA A 150 15.120 26.562 17.832 1.00 46.79 O ATOM 1112 CB ALA A 150 16.435 23.945 18.825 1.00 48.32 C ATOM 0 H ALA A 150 18.578 24.036 17.649 1.00 49.28 H new ATOM 0 HA ALA A 150 16.190 24.465 16.812 1.00 47.22 H new ATOM 0 HB1 ALA A 150 15.517 24.094 19.100 1.00 48.32 H new ATOM 0 HB2 ALA A 150 16.567 23.002 18.637 1.00 48.32 H new ATOM 0 HB3 ALA A 150 17.034 24.219 19.537 1.00 48.32 H new ATOM 1113 N GLU A 151 17.251 27.176 17.828 1.00 42.11 N ATOM 1114 CA GLU A 151 16.786 28.593 17.851 1.00 38.97 C ATOM 1115 C GLU A 151 16.468 29.239 16.443 1.00 36.16 C ATOM 1116 O GLU A 151 15.974 30.345 16.305 1.00 36.68 O ATOM 1117 CB GLU A 151 17.767 29.457 18.656 1.00 40.52 C ATOM 1118 CG GLU A 151 19.224 29.413 18.192 1.00 40.01 C ATOM 1119 CD GLU A 151 19.972 30.746 18.371 1.00 42.72 C ATOM 1120 OE1 GLU A 151 19.335 31.834 18.501 1.00 39.87 O ATOM 1121 OE2 GLU A 151 21.219 30.706 18.400 1.00 36.36 O ATOM 0 H GLU A 151 18.101 27.049 17.862 1.00 42.11 H new ATOM 0 HA GLU A 151 15.922 28.569 18.291 1.00 38.97 H new ATOM 0 HB2 GLU A 151 17.462 30.377 18.625 1.00 40.52 H new ATOM 0 HB3 GLU A 151 17.732 29.178 19.584 1.00 40.52 H new ATOM 0 HG2 GLU A 151 19.691 28.721 18.685 1.00 40.01 H new ATOM 0 HG3 GLU A 151 19.249 29.161 17.256 1.00 40.01 H new ATOM 1122 N THR A 152 16.793 28.513 15.404 1.00 33.62 N ATOM 1123 CA THR A 152 16.577 28.947 14.027 1.00 29.71 C ATOM 1124 C THR A 152 15.422 28.109 13.480 1.00 26.65 C ATOM 1125 O THR A 152 15.548 26.892 13.357 1.00 27.42 O ATOM 1126 CB THR A 152 17.844 28.676 13.238 1.00 29.50 C ATOM 1127 OG1 THR A 152 18.894 29.590 13.657 1.00 29.97 O ATOM 1128 CG2 THR A 152 17.591 28.936 11.730 1.00 27.39 C ATOM 0 H THR A 152 17.154 27.735 15.468 1.00 33.62 H new ATOM 0 HA THR A 152 16.367 29.892 13.967 1.00 29.71 H new ATOM 0 HB THR A 152 18.105 27.755 13.393 1.00 29.50 H new ATOM 0 HG1 THR A 152 18.685 30.375 13.441 1.00 29.97 H new ATOM 0 HG21 THR A 152 18.404 28.761 11.230 1.00 27.39 H new ATOM 0 HG22 THR A 152 16.886 28.350 11.414 1.00 27.39 H new ATOM 0 HG23 THR A 152 17.325 29.860 11.601 1.00 27.39 H new ATOM 1129 N GLU A 153 14.302 28.750 13.236 1.00 25.56 N ATOM 1130 CA GLU A 153 13.085 28.103 12.702 1.00 25.45 C ATOM 1131 C GLU A 153 13.374 27.813 11.220 1.00 24.62 C ATOM 1132 O GLU A 153 14.175 28.520 10.613 1.00 20.37 O ATOM 1133 CB GLU A 153 11.928 29.071 12.718 1.00 27.30 C ATOM 1134 CG GLU A 153 11.172 29.368 13.978 1.00 32.26 C ATOM 1135 CD GLU A 153 10.090 30.424 13.683 1.00 34.52 C ATOM 1136 OE1 GLU A 153 10.229 31.519 14.226 1.00 32.39 O ATOM 1137 OE2 GLU A 153 9.120 30.173 12.868 1.00 36.16 O ATOM 0 H GLU A 153 14.208 29.594 13.374 1.00 25.56 H new ATOM 0 HA GLU A 153 12.869 27.315 13.225 1.00 25.45 H new ATOM 0 HB2 GLU A 153 12.264 29.918 12.385 1.00 27.30 H new ATOM 0 HB3 GLU A 153 11.282 28.748 12.071 1.00 27.30 H new ATOM 0 HG2 GLU A 153 10.764 28.558 14.321 1.00 32.26 H new ATOM 0 HG3 GLU A 153 11.778 29.692 14.663 1.00 32.26 H new ATOM 1138 N LEU A 154 12.729 26.806 10.655 1.00 23.58 N ATOM 1139 CA LEU A 154 12.980 26.361 9.274 1.00 23.65 C ATOM 1140 C LEU A 154 11.638 26.299 8.542 1.00 23.69 C ATOM 1141 O LEU A 154 10.613 25.805 9.086 1.00 26.38 O ATOM 1142 CB LEU A 154 13.668 24.990 9.299 1.00 24.85 C ATOM 1143 CG LEU A 154 14.289 24.424 8.006 1.00 31.32 C ATOM 1144 CD1 LEU A 154 15.377 23.375 8.364 1.00 36.01 C ATOM 1145 CD2 LEU A 154 13.281 23.788 7.055 1.00 35.38 C ATOM 0 H LEU A 154 12.123 26.349 11.060 1.00 23.58 H new ATOM 0 HA LEU A 154 13.566 26.979 8.809 1.00 23.65 H new ATOM 0 HB2 LEU A 154 14.372 25.031 9.965 1.00 24.85 H new ATOM 0 HB3 LEU A 154 13.016 24.344 9.614 1.00 24.85 H new ATOM 0 HG LEU A 154 14.670 25.184 7.539 1.00 31.32 H new ATOM 0 HD11 LEU A 154 15.766 23.021 7.549 1.00 36.01 H new ATOM 0 HD12 LEU A 154 16.070 23.796 8.896 1.00 36.01 H new ATOM 0 HD13 LEU A 154 14.975 22.652 8.871 1.00 36.01 H new ATOM 0 HD21 LEU A 154 13.742 23.456 6.269 1.00 35.38 H new ATOM 0 HD22 LEU A 154 12.834 23.052 7.502 1.00 35.38 H new ATOM 0 HD23 LEU A 154 12.624 24.450 6.789 1.00 35.38 H new ATOM 1146 N TRP A 155 11.581 26.861 7.338 1.00 21.74 N ATOM 1147 CA TRP A 155 10.332 27.064 6.639 1.00 20.22 C ATOM 1148 C TRP A 155 10.627 26.608 5.217 1.00 20.53 C ATOM 1149 O TRP A 155 11.747 26.690 4.741 1.00 17.31 O ATOM 1150 CB TRP A 155 9.901 28.517 6.573 1.00 21.29 C ATOM 1151 CG TRP A 155 9.250 29.105 7.799 1.00 19.76 C ATOM 1152 CD1 TRP A 155 9.761 29.159 9.049 1.00 22.59 C ATOM 1153 CD2 TRP A 155 7.982 29.704 7.857 1.00 21.56 C ATOM 1154 NE1 TRP A 155 8.890 29.771 9.905 1.00 23.79 N ATOM 1155 CE2 TRP A 155 7.781 30.133 9.205 1.00 24.86 C ATOM 1156 CE3 TRP A 155 6.966 29.900 6.933 1.00 24.15 C ATOM 1157 CZ2 TRP A 155 6.629 30.748 9.624 1.00 28.03 C ATOM 1158 CZ3 TRP A 155 5.827 30.517 7.345 1.00 25.64 C ATOM 1159 CH2 TRP A 155 5.654 30.935 8.700 1.00 24.38 C ATOM 0 H TRP A 155 12.273 27.134 6.907 1.00 21.74 H new ATOM 0 HA TRP A 155 9.620 26.587 7.094 1.00 20.22 H new ATOM 0 HB2 TRP A 155 10.682 29.052 6.363 1.00 21.29 H new ATOM 0 HB3 TRP A 155 9.284 28.613 5.831 1.00 21.29 H new ATOM 0 HD1 TRP A 155 10.594 28.824 9.293 1.00 22.59 H new ATOM 0 HE1 TRP A 155 9.021 29.905 10.744 1.00 23.79 H new ATOM 0 HE3 TRP A 155 7.062 29.616 6.053 1.00 24.15 H new ATOM 0 HZ2 TRP A 155 6.521 31.025 10.505 1.00 28.03 H new ATOM 0 HZ3 TRP A 155 5.145 30.670 6.731 1.00 25.64 H new ATOM 0 HH2 TRP A 155 4.858 31.343 8.953 1.00 24.38 H new ATOM 1160 N VAL A 156 9.593 26.153 4.551 1.00 20.25 N ATOM 1161 CA VAL A 156 9.689 25.705 3.166 1.00 19.15 C ATOM 1162 C VAL A 156 8.616 26.445 2.406 1.00 18.39 C ATOM 1163 O VAL A 156 7.459 26.510 2.850 1.00 21.77 O ATOM 1164 CB VAL A 156 9.494 24.160 3.101 1.00 20.10 C ATOM 1165 CG1 VAL A 156 9.512 23.688 1.625 1.00 20.11 C ATOM 1166 CG2 VAL A 156 10.579 23.484 3.764 1.00 19.14 C ATOM 0 H VAL A 156 8.803 26.091 4.885 1.00 20.25 H new ATOM 0 HA VAL A 156 10.558 25.892 2.777 1.00 19.15 H new ATOM 0 HB VAL A 156 8.648 23.954 3.529 1.00 20.10 H new ATOM 0 HG11 VAL A 156 9.390 22.726 1.591 1.00 20.11 H new ATOM 0 HG12 VAL A 156 8.794 24.122 1.138 1.00 20.11 H new ATOM 0 HG13 VAL A 156 10.363 23.920 1.221 1.00 20.11 H new ATOM 0 HG21 VAL A 156 10.442 22.525 3.714 1.00 19.14 H new ATOM 0 HG22 VAL A 156 11.416 23.713 3.331 1.00 19.14 H new ATOM 0 HG23 VAL A 156 10.611 23.758 4.694 1.00 19.14 H new ATOM 1167 N LEU A 157 8.967 27.063 1.281 1.00 16.73 N ATOM 1168 CA LEU A 157 8.083 27.937 0.573 1.00 16.23 C ATOM 1169 C LEU A 157 7.903 27.513 -0.855 1.00 16.73 C ATOM 1170 O LEU A 157 8.812 26.922 -1.421 1.00 17.13 O ATOM 1171 CB LEU A 157 8.591 29.350 0.577 1.00 16.76 C ATOM 1172 CG LEU A 157 8.947 29.929 1.939 1.00 16.67 C ATOM 1173 CD1 LEU A 157 9.731 31.220 1.618 1.00 16.26 C ATOM 1174 CD2 LEU A 157 7.751 30.360 2.721 1.00 19.27 C ATOM 0 H LEU A 157 9.740 26.976 0.914 1.00 16.73 H new ATOM 0 HA LEU A 157 7.232 27.889 1.035 1.00 16.23 H new ATOM 0 HB2 LEU A 157 9.378 29.393 0.012 1.00 16.76 H new ATOM 0 HB3 LEU A 157 7.918 29.918 0.170 1.00 16.76 H new ATOM 0 HG LEU A 157 9.421 29.261 2.459 1.00 16.67 H new ATOM 0 HD11 LEU A 157 9.996 31.652 2.445 1.00 16.26 H new ATOM 0 HD12 LEU A 157 10.522 30.999 1.101 1.00 16.26 H new ATOM 0 HD13 LEU A 157 9.168 31.821 1.105 1.00 16.26 H new ATOM 0 HD21 LEU A 157 8.035 30.719 3.576 1.00 19.27 H new ATOM 0 HD22 LEU A 157 7.270 31.043 2.228 1.00 19.27 H new ATOM 0 HD23 LEU A 157 7.169 29.598 2.868 1.00 19.27 H new ATOM 1175 N PRO A 158 6.734 27.823 -1.457 1.00 17.27 N ATOM 1176 CA PRO A 158 6.499 27.511 -2.880 1.00 17.76 C ATOM 1177 C PRO A 158 7.436 28.322 -3.786 1.00 17.35 C ATOM 1178 O PRO A 158 7.542 29.554 -3.627 1.00 16.41 O ATOM 1179 CB PRO A 158 5.011 27.921 -3.079 1.00 19.02 C ATOM 1180 CG PRO A 158 4.423 27.846 -1.725 1.00 18.95 C ATOM 1181 CD PRO A 158 5.529 28.402 -0.865 1.00 17.98 C ATOM 0 HA PRO A 158 6.671 26.584 -3.108 1.00 17.76 H new ATOM 0 HB2 PRO A 158 4.937 28.815 -3.447 1.00 19.02 H new ATOM 0 HB3 PRO A 158 4.559 27.323 -3.694 1.00 19.02 H new ATOM 0 HG2 PRO A 158 3.610 28.371 -1.654 1.00 18.95 H new ATOM 0 HG3 PRO A 158 4.196 26.936 -1.479 1.00 18.95 H new ATOM 0 HD2 PRO A 158 5.548 29.372 -0.888 1.00 17.98 H new ATOM 0 HD3 PRO A 158 5.426 28.143 0.064 1.00 17.98 H new ATOM 1182 N SER A 159 8.107 27.613 -4.705 1.00 17.77 N ATOM 1183 CA SER A 159 8.973 28.231 -5.709 1.00 18.22 C ATOM 1184 C SER A 159 8.302 29.383 -6.471 1.00 19.05 C ATOM 1185 O SER A 159 7.167 29.250 -6.964 1.00 18.25 O ATOM 1186 CB SER A 159 9.576 27.185 -6.655 1.00 18.96 C ATOM 1187 OG SER A 159 10.234 27.854 -7.723 1.00 19.98 O ATOM 0 H SER A 159 8.069 26.756 -4.760 1.00 17.77 H new ATOM 0 HA SER A 159 9.704 28.638 -5.218 1.00 18.22 H new ATOM 0 HB2 SER A 159 10.203 26.621 -6.176 1.00 18.96 H new ATOM 0 HB3 SER A 159 8.880 26.605 -7.001 1.00 18.96 H new ATOM 0 HG SER A 159 10.682 27.300 -8.168 1.00 19.98 H new ATOM 1188 N THR A 160 9.043 30.509 -6.577 1.00 17.81 N ATOM 1189 CA THR A 160 8.673 31.654 -7.347 1.00 18.27 C ATOM 1190 C THR A 160 9.164 31.548 -8.773 1.00 17.61 C ATOM 1191 O THR A 160 8.976 32.467 -9.503 1.00 18.11 O ATOM 1192 CB THR A 160 9.184 32.920 -6.697 1.00 18.20 C ATOM 1193 OG1 THR A 160 10.598 32.809 -6.445 1.00 16.70 O ATOM 1194 CG2 THR A 160 8.517 33.177 -5.315 1.00 18.11 C ATOM 0 H THR A 160 9.798 30.603 -6.177 1.00 17.81 H new ATOM 0 HA THR A 160 7.704 31.690 -7.374 1.00 18.27 H new ATOM 0 HB THR A 160 8.976 33.644 -7.309 1.00 18.20 H new ATOM 0 HG1 THR A 160 11.021 33.247 -7.023 1.00 16.70 H new ATOM 0 HG21 THR A 160 8.870 33.995 -4.932 1.00 18.11 H new ATOM 0 HG22 THR A 160 7.558 33.262 -5.429 1.00 18.11 H new ATOM 0 HG23 THR A 160 8.707 32.434 -4.721 1.00 18.11 H new ATOM 1195 N SER A 161 9.789 30.441 -9.131 1.00 19.10 N ATOM 1196 CA SER A 161 10.264 30.258 -10.496 1.00 22.82 C ATOM 1197 C SER A 161 9.105 30.106 -11.474 1.00 24.64 C ATOM 1198 O SER A 161 8.083 29.609 -11.125 1.00 23.08 O ATOM 1199 CB SER A 161 11.215 29.082 -10.563 1.00 25.64 C ATOM 1200 OG SER A 161 11.642 28.848 -11.910 1.00 34.05 O ATOM 0 H SER A 161 9.950 29.782 -8.602 1.00 19.10 H new ATOM 0 HA SER A 161 10.750 31.054 -10.762 1.00 22.82 H new ATOM 0 HB2 SER A 161 11.986 29.252 -10.000 1.00 25.64 H new ATOM 0 HB3 SER A 161 10.779 28.288 -10.215 1.00 25.64 H new ATOM 0 HG SER A 161 12.169 28.194 -11.927 1.00 34.05 H new ATOM 1201 N PRO A 162 9.269 30.534 -12.712 1.00 28.18 N ATOM 1202 CA PRO A 162 8.281 30.202 -13.757 1.00 31.28 C ATOM 1203 C PRO A 162 8.005 28.681 -13.882 1.00 34.17 C ATOM 1204 O PRO A 162 6.842 28.277 -13.986 1.00 36.15 O ATOM 1205 CB PRO A 162 8.928 30.797 -15.018 1.00 31.75 C ATOM 1206 CG PRO A 162 9.750 31.907 -14.537 1.00 29.64 C ATOM 1207 CD PRO A 162 10.393 31.337 -13.234 1.00 28.69 C ATOM 0 HA PRO A 162 7.398 30.559 -13.570 1.00 31.28 H new ATOM 0 HB2 PRO A 162 9.467 30.136 -15.481 1.00 31.75 H new ATOM 0 HB3 PRO A 162 8.255 31.105 -15.646 1.00 31.75 H new ATOM 0 HG2 PRO A 162 10.423 32.162 -15.187 1.00 29.64 H new ATOM 0 HG3 PRO A 162 9.216 32.697 -14.357 1.00 29.64 H new ATOM 0 HD2 PRO A 162 11.179 30.798 -13.415 1.00 28.69 H new ATOM 0 HD3 PRO A 162 10.664 32.037 -12.619 1.00 28.69 H new ATOM 1208 N LEU A 163 9.023 27.828 -13.799 1.00 36.36 N ATOM 1209 CA LEU A 163 8.802 26.349 -13.732 1.00 38.44 C ATOM 1210 C LEU A 163 7.903 25.778 -12.577 1.00 39.52 C ATOM 1211 O LEU A 163 7.347 24.659 -12.705 1.00 40.44 O ATOM 1212 CB LEU A 163 10.150 25.634 -13.654 1.00 39.18 C ATOM 1213 CG LEU A 163 10.886 25.545 -14.992 1.00 43.55 C ATOM 1214 CD1 LEU A 163 12.401 25.435 -14.731 1.00 45.00 C ATOM 1215 CD2 LEU A 163 10.357 24.342 -15.858 1.00 45.76 C ATOM 0 H LEU A 163 9.849 28.066 -13.779 1.00 36.36 H new ATOM 0 HA LEU A 163 8.301 26.177 -14.544 1.00 38.44 H new ATOM 0 HB2 LEU A 163 10.715 26.097 -13.015 1.00 39.18 H new ATOM 0 HB3 LEU A 163 10.011 24.737 -13.312 1.00 39.18 H new ATOM 0 HG LEU A 163 10.714 26.351 -15.504 1.00 43.55 H new ATOM 0 HD11 LEU A 163 12.872 25.378 -15.577 1.00 45.00 H new ATOM 0 HD12 LEU A 163 12.703 26.218 -14.245 1.00 45.00 H new ATOM 0 HD13 LEU A 163 12.582 24.639 -14.207 1.00 45.00 H new ATOM 0 HD21 LEU A 163 10.841 24.311 -16.698 1.00 45.76 H new ATOM 0 HD22 LEU A 163 10.493 23.511 -15.376 1.00 45.76 H new ATOM 0 HD23 LEU A 163 9.411 24.462 -16.034 1.00 45.76 H new ATOM 1216 N GLY A 164 7.788 26.488 -11.451 1.00 39.82 N ATOM 1217 CA GLY A 164 6.872 26.092 -10.380 1.00 40.41 C ATOM 1218 C GLY A 164 5.492 26.783 -10.405 1.00 41.42 C ATOM 1219 O GLY A 164 4.802 26.791 -9.396 1.00 40.63 O ATOM 0 H GLY A 164 8.234 27.205 -11.289 1.00 39.82 H new ATOM 0 HA2 GLY A 164 6.738 25.132 -10.427 1.00 40.41 H new ATOM 0 HA3 GLY A 164 7.295 26.278 -9.527 1.00 40.41 H new ATOM 1220 N HIS A 165 5.098 27.372 -11.528 1.00 43.53 N ATOM 1221 CA HIS A 165 3.911 28.224 -11.574 1.00 45.20 C ATOM 1222 C HIS A 165 2.614 27.468 -11.166 1.00 45.34 C ATOM 1223 O HIS A 165 1.713 28.047 -10.546 1.00 44.92 O ATOM 1224 CB HIS A 165 3.772 28.912 -12.952 1.00 46.42 C ATOM 1225 CG HIS A 165 3.043 30.229 -12.905 1.00 51.88 C ATOM 1226 ND1 HIS A 165 1.945 30.449 -12.091 1.00 58.58 N ATOM 1227 CD2 HIS A 165 3.260 31.398 -13.562 1.00 55.90 C ATOM 1228 CE1 HIS A 165 1.505 31.686 -12.265 1.00 58.52 C ATOM 1229 NE2 HIS A 165 2.280 32.283 -13.156 1.00 58.51 N ATOM 0 H HIS A 165 5.506 27.291 -12.281 1.00 43.53 H new ATOM 0 HA HIS A 165 4.035 28.919 -10.909 1.00 45.20 H new ATOM 0 HB2 HIS A 165 4.657 29.055 -13.323 1.00 46.42 H new ATOM 0 HB3 HIS A 165 3.304 28.315 -13.556 1.00 46.42 H new ATOM 0 HD1 HIS A 165 1.601 29.871 -11.555 1.00 58.58 H new ATOM 0 HD2 HIS A 165 3.941 31.570 -14.171 1.00 55.90 H new ATOM 0 HE1 HIS A 165 0.776 32.070 -11.834 1.00 58.52 H new ATOM 1230 N ASN A 166 2.555 26.173 -11.478 1.00 45.08 N ATOM 1231 CA ASN A 166 1.396 25.332 -11.116 1.00 45.63 C ATOM 1232 C ASN A 166 1.276 25.090 -9.612 1.00 43.57 C ATOM 1233 O ASN A 166 0.214 24.684 -9.099 1.00 44.95 O ATOM 1234 CB ASN A 166 1.477 23.968 -11.823 1.00 46.95 C ATOM 1235 CG ASN A 166 1.187 24.055 -13.314 1.00 49.45 C ATOM 1236 OD1 ASN A 166 1.268 25.141 -13.942 1.00 55.06 O ATOM 1237 ND2 ASN A 166 0.842 22.915 -13.899 1.00 52.60 N ATOM 0 H ASN A 166 3.176 25.755 -11.901 1.00 45.08 H new ATOM 0 HA ASN A 166 0.611 25.824 -11.405 1.00 45.63 H new ATOM 0 HB2 ASN A 166 2.362 23.593 -11.692 1.00 46.95 H new ATOM 0 HB3 ASN A 166 0.846 23.357 -11.411 1.00 46.95 H new ATOM 0 HD21 ASN A 166 0.663 22.900 -14.740 1.00 52.60 H new ATOM 0 HD22 ASN A 166 0.797 22.191 -13.437 1.00 52.60 H new ATOM 1238 N HIS A 167 2.367 25.315 -8.896 1.00 40.09 N ATOM 1239 CA HIS A 167 2.377 25.039 -7.479 1.00 37.20 C ATOM 1240 C HIS A 167 2.472 26.287 -6.616 1.00 31.83 C ATOM 1241 O HIS A 167 2.305 26.219 -5.403 1.00 30.46 O ATOM 1242 CB HIS A 167 3.477 24.040 -7.179 1.00 38.38 C ATOM 1243 CG HIS A 167 3.089 22.628 -7.504 1.00 45.59 C ATOM 1244 ND1 HIS A 167 3.951 21.556 -7.345 1.00 51.51 N ATOM 1245 CD2 HIS A 167 1.927 22.110 -7.974 1.00 48.78 C ATOM 1246 CE1 HIS A 167 3.332 20.441 -7.699 1.00 50.30 C ATOM 1247 NE2 HIS A 167 2.107 20.752 -8.089 1.00 51.74 N ATOM 0 H HIS A 167 3.104 25.625 -9.212 1.00 40.09 H new ATOM 0 HA HIS A 167 1.520 24.652 -7.242 1.00 37.20 H new ATOM 0 HB2 HIS A 167 4.270 24.277 -7.685 1.00 38.38 H new ATOM 0 HB3 HIS A 167 3.712 24.098 -6.240 1.00 38.38 H new ATOM 0 HD2 HIS A 167 1.154 22.584 -8.180 1.00 48.78 H new ATOM 0 HE1 HIS A 167 3.696 19.585 -7.677 1.00 50.30 H new ATOM 0 HE2 HIS A 167 1.517 20.193 -8.370 1.00 51.74 H new ATOM 1248 N PHE A 168 2.670 27.431 -7.234 1.00 27.88 N ATOM 1249 CA PHE A 168 2.918 28.627 -6.427 1.00 24.94 C ATOM 1250 C PHE A 168 1.665 28.954 -5.628 1.00 24.19 C ATOM 1251 O PHE A 168 0.564 28.950 -6.178 1.00 23.25 O ATOM 1252 CB PHE A 168 3.293 29.827 -7.301 1.00 25.20 C ATOM 1253 CG PHE A 168 3.542 31.060 -6.546 1.00 22.50 C ATOM 1254 CD1 PHE A 168 4.643 31.149 -5.682 1.00 24.11 C ATOM 1255 CD2 PHE A 168 2.707 32.147 -6.645 1.00 22.48 C ATOM 1256 CE1 PHE A 168 4.887 32.313 -5.022 1.00 19.92 C ATOM 1257 CE2 PHE A 168 2.922 33.316 -5.946 1.00 27.14 C ATOM 1258 CZ PHE A 168 4.036 33.407 -5.108 1.00 24.03 C ATOM 0 H PHE A 168 2.668 27.546 -8.086 1.00 27.88 H new ATOM 0 HA PHE A 168 3.663 28.446 -5.833 1.00 24.94 H new ATOM 0 HB2 PHE A 168 4.086 29.607 -7.814 1.00 25.20 H new ATOM 0 HB3 PHE A 168 2.579 29.987 -7.938 1.00 25.20 H new ATOM 0 HD1 PHE A 168 5.203 30.416 -5.561 1.00 24.11 H new ATOM 0 HD2 PHE A 168 1.967 32.092 -7.206 1.00 22.48 H new ATOM 0 HE1 PHE A 168 5.650 32.379 -4.495 1.00 19.92 H new ATOM 0 HE2 PHE A 168 2.335 34.032 -6.031 1.00 27.14 H new ATOM 0 HZ PHE A 168 4.203 34.181 -4.620 1.00 24.03 H new ATOM 1259 N ARG A 169 1.867 29.284 -4.353 1.00 23.69 N ATOM 1260 CA ARG A 169 0.832 29.796 -3.468 1.00 22.60 C ATOM 1261 C ARG A 169 1.429 30.867 -2.577 1.00 23.24 C ATOM 1262 O ARG A 169 2.547 30.703 -2.044 1.00 22.90 O ATOM 1263 CB ARG A 169 0.308 28.694 -2.582 1.00 22.13 C ATOM 1264 CG ARG A 169 -0.483 27.606 -3.310 1.00 22.08 C ATOM 1265 CD ARG A 169 -1.803 28.166 -3.918 1.00 24.45 C ATOM 1266 NE ARG A 169 -2.559 27.077 -4.533 1.00 23.86 N ATOM 1267 CZ ARG A 169 -2.329 26.547 -5.710 1.00 26.54 C ATOM 1268 NH1 ARG A 169 -1.290 26.937 -6.462 1.00 21.78 N ATOM 1269 NH2 ARG A 169 -3.127 25.554 -6.122 1.00 23.04 N ATOM 0 H ARG A 169 2.634 29.213 -3.971 1.00 23.69 H new ATOM 0 HA ARG A 169 0.110 30.154 -4.008 1.00 22.60 H new ATOM 0 HB2 ARG A 169 1.057 28.280 -2.125 1.00 22.13 H new ATOM 0 HB3 ARG A 169 -0.259 29.087 -1.900 1.00 22.13 H new ATOM 0 HG2 ARG A 169 0.063 27.225 -4.016 1.00 22.08 H new ATOM 0 HG3 ARG A 169 -0.690 26.887 -2.692 1.00 22.08 H new ATOM 0 HD2 ARG A 169 -2.334 28.591 -3.226 1.00 24.45 H new ATOM 0 HD3 ARG A 169 -1.602 28.847 -4.579 1.00 24.45 H new ATOM 0 HE ARG A 169 -3.215 26.754 -4.081 1.00 23.86 H new ATOM 0 HH11 ARG A 169 -0.757 27.548 -6.175 1.00 21.78 H new ATOM 0 HH12 ARG A 169 -1.157 26.577 -7.231 1.00 21.78 H new ATOM 0 HH21 ARG A 169 -3.769 25.281 -5.619 1.00 23.04 H new ATOM 0 HH22 ARG A 169 -2.998 25.189 -6.890 1.00 23.04 H new ATOM 1270 N LEU A 170 0.661 31.910 -2.339 1.00 21.71 N ATOM 1271 CA LEU A 170 1.091 33.016 -1.494 1.00 21.71 C ATOM 1272 C LEU A 170 0.978 32.759 -0.015 1.00 21.78 C ATOM 1273 O LEU A 170 1.696 33.366 0.794 1.00 22.81 O ATOM 1274 CB LEU A 170 0.363 34.296 -1.849 1.00 20.45 C ATOM 1275 CG LEU A 170 0.859 35.034 -3.070 1.00 25.14 C ATOM 1276 CD1 LEU A 170 -0.072 36.163 -3.596 1.00 25.24 C ATOM 1277 CD2 LEU A 170 2.237 35.636 -2.759 1.00 24.24 C ATOM 0 H LEU A 170 -0.130 32.002 -2.663 1.00 21.71 H new ATOM 0 HA LEU A 170 2.038 33.111 -1.681 1.00 21.71 H new ATOM 0 HB2 LEU A 170 -0.575 34.086 -1.981 1.00 20.45 H new ATOM 0 HB3 LEU A 170 0.415 34.896 -1.089 1.00 20.45 H new ATOM 0 HG LEU A 170 0.890 34.372 -3.778 1.00 25.14 H new ATOM 0 HD11 LEU A 170 0.329 36.576 -4.377 1.00 25.24 H new ATOM 0 HD12 LEU A 170 -0.933 35.787 -3.836 1.00 25.24 H new ATOM 0 HD13 LEU A 170 -0.193 36.832 -2.904 1.00 25.24 H new ATOM 0 HD21 LEU A 170 2.565 36.113 -3.537 1.00 24.24 H new ATOM 0 HD22 LEU A 170 2.161 36.250 -2.012 1.00 24.24 H new ATOM 0 HD23 LEU A 170 2.857 34.926 -2.531 1.00 24.24 H new ATOM 1278 N GLU A 171 0.101 31.852 0.394 1.00 21.45 N ATOM 1279 CA GLU A 171 -0.154 31.727 1.833 1.00 23.35 C ATOM 1280 C GLU A 171 1.137 31.485 2.664 1.00 22.60 C ATOM 1281 O GLU A 171 1.258 32.127 3.677 1.00 22.51 O ATOM 1282 CB GLU A 171 -1.194 30.645 2.158 1.00 23.46 C ATOM 1283 CG GLU A 171 -1.547 30.590 3.656 1.00 28.52 C ATOM 1284 CD GLU A 171 -0.831 29.476 4.417 1.00 36.49 C ATOM 1285 OE1 GLU A 171 -0.079 28.660 3.818 1.00 41.63 O ATOM 1286 OE2 GLU A 171 -1.030 29.378 5.655 1.00 43.57 O ATOM 0 H GLU A 171 -0.342 31.319 -0.115 1.00 21.45 H new ATOM 0 HA GLU A 171 -0.517 32.588 2.094 1.00 23.35 H new ATOM 0 HB2 GLU A 171 -2.000 30.813 1.646 1.00 23.46 H new ATOM 0 HB3 GLU A 171 -0.854 29.781 1.878 1.00 23.46 H new ATOM 0 HG2 GLU A 171 -1.326 31.442 4.063 1.00 28.52 H new ATOM 0 HG3 GLU A 171 -2.505 30.470 3.750 1.00 28.52 H new ATOM 1287 N PRO A 172 2.006 30.522 2.314 1.00 23.51 N ATOM 1288 CA PRO A 172 3.252 30.276 3.078 1.00 22.19 C ATOM 1289 C PRO A 172 4.164 31.526 3.128 1.00 21.63 C ATOM 1290 O PRO A 172 4.767 31.836 4.202 1.00 21.34 O ATOM 1291 CB PRO A 172 3.902 29.131 2.326 1.00 22.85 C ATOM 1292 CG PRO A 172 2.715 28.472 1.592 1.00 24.35 C ATOM 1293 CD PRO A 172 1.933 29.625 1.147 1.00 22.15 C ATOM 0 HA PRO A 172 3.083 30.068 4.010 1.00 22.19 H new ATOM 0 HB2 PRO A 172 4.576 29.447 1.705 1.00 22.85 H new ATOM 0 HB3 PRO A 172 4.340 28.510 2.928 1.00 22.85 H new ATOM 0 HG2 PRO A 172 3.010 27.927 0.846 1.00 24.35 H new ATOM 0 HG3 PRO A 172 2.203 27.895 2.180 1.00 24.35 H new ATOM 0 HD2 PRO A 172 2.310 30.033 0.352 1.00 22.15 H new ATOM 0 HD3 PRO A 172 1.018 29.382 0.934 1.00 22.15 H new ATOM 1294 N TRP A 173 4.200 32.263 2.028 1.00 19.73 N ATOM 1295 CA TRP A 173 4.941 33.527 1.928 1.00 19.68 C ATOM 1296 C TRP A 173 4.347 34.613 2.805 1.00 21.12 C ATOM 1297 O TRP A 173 5.036 35.351 3.489 1.00 18.25 O ATOM 1298 CB TRP A 173 5.035 34.017 0.468 1.00 18.98 C ATOM 1299 CG TRP A 173 5.930 33.221 -0.395 1.00 17.84 C ATOM 1300 CD1 TRP A 173 5.617 32.121 -1.159 1.00 14.71 C ATOM 1301 CD2 TRP A 173 7.353 33.425 -0.566 1.00 17.71 C ATOM 1302 NE1 TRP A 173 6.741 31.662 -1.825 1.00 18.80 N ATOM 1303 CE2 TRP A 173 7.812 32.448 -1.501 1.00 17.84 C ATOM 1304 CE3 TRP A 173 8.262 34.375 -0.083 1.00 18.13 C ATOM 1305 CZ2 TRP A 173 9.141 32.343 -1.891 1.00 18.33 C ATOM 1306 CZ3 TRP A 173 9.627 34.259 -0.501 1.00 17.31 C ATOM 1307 CH2 TRP A 173 10.025 33.304 -1.410 1.00 16.82 C ATOM 0 H TRP A 173 3.791 32.046 1.304 1.00 19.73 H new ATOM 0 HA TRP A 173 5.837 33.342 2.250 1.00 19.68 H new ATOM 0 HB2 TRP A 173 4.146 34.013 0.081 1.00 18.98 H new ATOM 0 HB3 TRP A 173 5.341 34.938 0.468 1.00 18.98 H new ATOM 0 HD1 TRP A 173 4.771 31.740 -1.220 1.00 14.71 H new ATOM 0 HE1 TRP A 173 6.762 30.988 -2.359 1.00 18.80 H new ATOM 0 HE3 TRP A 173 7.989 35.056 0.488 1.00 18.13 H new ATOM 0 HZ2 TRP A 173 9.428 31.658 -2.451 1.00 18.33 H new ATOM 0 HZ3 TRP A 173 10.260 34.843 -0.150 1.00 17.31 H new ATOM 0 HH2 TRP A 173 10.905 33.301 -1.709 1.00 16.82 H new ATOM 1308 N GLN A 174 3.020 34.700 2.846 1.00 19.76 N ATOM 1309 CA GLN A 174 2.421 35.708 3.688 1.00 18.90 C ATOM 1310 C GLN A 174 2.540 35.344 5.145 1.00 20.06 C ATOM 1311 O GLN A 174 2.760 36.234 5.964 1.00 20.84 O ATOM 1312 CB GLN A 174 0.926 35.863 3.347 1.00 19.60 C ATOM 1313 CG GLN A 174 0.292 36.978 4.171 1.00 21.03 C ATOM 1314 CD GLN A 174 0.699 38.341 3.782 1.00 21.17 C ATOM 1315 OE1 GLN A 174 0.618 38.735 2.629 1.00 27.99 O ATOM 1316 NE2 GLN A 174 1.156 39.122 4.778 1.00 29.54 N ATOM 0 H GLN A 174 2.472 34.202 2.409 1.00 19.76 H new ATOM 0 HA GLN A 174 2.893 36.540 3.527 1.00 18.90 H new ATOM 0 HB2 GLN A 174 0.824 36.057 2.402 1.00 19.60 H new ATOM 0 HB3 GLN A 174 0.463 35.027 3.517 1.00 19.60 H new ATOM 0 HG2 GLN A 174 -0.673 36.909 4.098 1.00 21.03 H new ATOM 0 HG3 GLN A 174 0.516 36.841 5.105 1.00 21.03 H new ATOM 0 HE21 GLN A 174 1.201 38.814 5.580 1.00 29.54 H new ATOM 0 HE22 GLN A 174 1.403 39.929 4.613 1.00 29.54 H new ATOM 1317 N ALA A 175 2.457 34.070 5.478 1.00 19.95 N ATOM 1318 CA ALA A 175 2.591 33.629 6.861 1.00 21.57 C ATOM 1319 C ALA A 175 4.014 33.919 7.354 1.00 22.14 C ATOM 1320 O ALA A 175 4.230 34.252 8.510 1.00 21.24 O ATOM 1321 CB ALA A 175 2.305 32.221 7.010 1.00 20.89 C ATOM 0 H ALA A 175 2.322 33.435 4.914 1.00 19.95 H new ATOM 0 HA ALA A 175 1.944 34.119 7.392 1.00 21.57 H new ATOM 0 HB1 ALA A 175 2.405 31.967 7.941 1.00 20.89 H new ATOM 0 HB2 ALA A 175 1.396 32.043 6.722 1.00 20.89 H new ATOM 0 HB3 ALA A 175 2.922 31.706 6.467 1.00 20.89 H new ATOM 1322 N LEU A 176 4.962 33.736 6.457 1.00 20.11 N ATOM 1323 CA LEU A 176 6.352 34.070 6.756 1.00 19.67 C ATOM 1324 C LEU A 176 6.512 35.520 7.018 1.00 18.49 C ATOM 1325 O LEU A 176 7.119 35.897 8.047 1.00 20.64 O ATOM 1326 CB LEU A 176 7.282 33.585 5.631 1.00 18.29 C ATOM 1327 CG LEU A 176 8.763 33.944 5.874 1.00 18.13 C ATOM 1328 CD1 LEU A 176 9.255 33.356 7.118 1.00 17.83 C ATOM 1329 CD2 LEU A 176 9.544 33.452 4.634 1.00 20.95 C ATOM 0 H LEU A 176 4.829 33.420 5.668 1.00 20.11 H new ATOM 0 HA LEU A 176 6.608 33.605 7.568 1.00 19.67 H new ATOM 0 HB2 LEU A 176 7.198 32.623 5.542 1.00 18.29 H new ATOM 0 HB3 LEU A 176 6.994 33.974 4.790 1.00 18.29 H new ATOM 0 HG LEU A 176 8.881 34.901 5.983 1.00 18.13 H new ATOM 0 HD11 LEU A 176 10.186 33.598 7.244 1.00 17.83 H new ATOM 0 HD12 LEU A 176 8.731 33.689 7.863 1.00 17.83 H new ATOM 0 HD13 LEU A 176 9.175 32.390 7.073 1.00 17.83 H new ATOM 0 HD21 LEU A 176 10.486 33.657 4.742 1.00 20.95 H new ATOM 0 HD22 LEU A 176 9.431 32.493 4.540 1.00 20.95 H new ATOM 0 HD23 LEU A 176 9.206 33.896 3.841 1.00 20.95 H new ATOM 1330 N GLY A 177 5.980 36.368 6.163 1.00 19.05 N ATOM 1331 CA GLY A 177 5.968 37.802 6.337 1.00 20.67 C ATOM 1332 C GLY A 177 5.339 38.213 7.670 1.00 22.53 C ATOM 1333 O GLY A 177 5.861 39.070 8.377 1.00 22.22 O ATOM 0 H GLY A 177 5.600 36.113 5.435 1.00 19.05 H new ATOM 0 HA2 GLY A 177 6.876 38.140 6.291 1.00 20.67 H new ATOM 0 HA3 GLY A 177 5.476 38.211 5.608 1.00 20.67 H new ATOM 1334 N ASP A 178 4.276 37.517 8.056 1.00 24.25 N ATOM 1335 CA ASP A 178 3.565 37.837 9.318 1.00 25.55 C ATOM 1336 C ASP A 178 4.467 37.451 10.501 1.00 26.02 C ATOM 1337 O ASP A 178 4.524 38.133 11.542 1.00 26.45 O ATOM 1338 CB ASP A 178 2.280 37.032 9.427 1.00 25.72 C ATOM 1339 CG ASP A 178 1.177 37.508 8.518 1.00 25.62 C ATOM 1340 OD1 ASP A 178 1.193 38.607 7.920 1.00 30.86 O ATOM 1341 OD2 ASP A 178 0.176 36.805 8.387 1.00 30.20 O ATOM 0 H ASP A 178 3.943 36.859 7.614 1.00 24.25 H new ATOM 0 HA ASP A 178 3.355 38.784 9.327 1.00 25.55 H new ATOM 0 HB2 ASP A 178 2.474 36.103 9.226 1.00 25.72 H new ATOM 0 HB3 ASP A 178 1.966 37.064 10.344 1.00 25.72 H new ATOM 1342 N ARG A 179 5.170 36.349 10.342 1.00 23.95 N ATOM 1343 CA ARG A 179 6.018 35.860 11.381 1.00 24.18 C ATOM 1344 C ARG A 179 7.213 36.802 11.580 1.00 23.06 C ATOM 1345 O ARG A 179 7.594 37.071 12.694 1.00 23.64 O ATOM 1346 CB ARG A 179 6.498 34.444 11.071 1.00 24.27 C ATOM 1347 CG ARG A 179 7.523 33.938 12.087 1.00 23.03 C ATOM 1348 CD ARG A 179 6.929 33.839 13.472 1.00 27.08 C ATOM 1349 NE ARG A 179 7.840 33.197 14.381 1.00 25.13 N ATOM 1350 CZ ARG A 179 7.919 33.482 15.674 1.00 28.16 C ATOM 1351 NH1 ARG A 179 7.135 34.372 16.207 1.00 27.59 N ATOM 1352 NH2 ARG A 179 8.806 32.877 16.422 1.00 28.08 N ATOM 0 H ARG A 179 5.164 35.870 9.628 1.00 23.95 H new ATOM 0 HA ARG A 179 5.505 35.830 12.204 1.00 24.18 H new ATOM 0 HB2 ARG A 179 5.737 33.843 11.057 1.00 24.27 H new ATOM 0 HB3 ARG A 179 6.890 34.425 10.184 1.00 24.27 H new ATOM 0 HG2 ARG A 179 7.851 33.068 11.811 1.00 23.03 H new ATOM 0 HG3 ARG A 179 8.286 34.536 12.103 1.00 23.03 H new ATOM 0 HD2 ARG A 179 6.713 34.726 13.799 1.00 27.08 H new ATOM 0 HD3 ARG A 179 6.098 33.340 13.436 1.00 27.08 H new ATOM 0 HE ARG A 179 8.365 32.592 14.067 1.00 25.13 H new ATOM 0 HH11 ARG A 179 6.557 34.783 15.720 1.00 27.59 H new ATOM 0 HH12 ARG A 179 7.194 34.550 17.046 1.00 27.59 H new ATOM 0 HH21 ARG A 179 9.336 32.296 16.075 1.00 28.08 H new ATOM 0 HH22 ARG A 179 8.859 33.061 17.261 1.00 28.08 H new ATOM 1353 N VAL A 180 7.771 37.315 10.499 1.00 25.02 N ATOM 1354 CA VAL A 180 8.874 38.258 10.543 1.00 23.84 C ATOM 1355 C VAL A 180 8.440 39.599 11.187 1.00 25.73 C ATOM 1356 O VAL A 180 9.161 40.149 12.025 1.00 23.78 O ATOM 1357 CB VAL A 180 9.478 38.430 9.134 1.00 23.59 C ATOM 1358 CG1 VAL A 180 10.497 39.593 9.058 1.00 26.10 C ATOM 1359 CG2 VAL A 180 10.094 37.135 8.707 1.00 22.41 C ATOM 0 H VAL A 180 7.515 37.121 9.701 1.00 25.02 H new ATOM 0 HA VAL A 180 9.574 37.904 11.113 1.00 23.84 H new ATOM 0 HB VAL A 180 8.763 38.668 8.524 1.00 23.59 H new ATOM 0 HG11 VAL A 180 10.846 39.659 8.155 1.00 26.10 H new ATOM 0 HG12 VAL A 180 10.058 40.424 9.296 1.00 26.10 H new ATOM 0 HG13 VAL A 180 11.226 39.425 9.675 1.00 26.10 H new ATOM 0 HG21 VAL A 180 10.476 37.235 7.821 1.00 22.41 H new ATOM 0 HG22 VAL A 180 10.791 36.886 9.334 1.00 22.41 H new ATOM 0 HG23 VAL A 180 9.414 36.443 8.689 1.00 22.41 H new ATOM 1360 N ARG A 181 7.273 40.123 10.781 1.00 24.38 N ATOM 1361 CA ARG A 181 6.637 41.244 11.474 1.00 27.37 C ATOM 1362 C ARG A 181 6.517 41.036 12.993 1.00 25.88 C ATOM 1363 O ARG A 181 6.861 41.924 13.769 1.00 25.48 O ATOM 1364 CB ARG A 181 5.235 41.474 10.875 1.00 27.61 C ATOM 1365 CG ARG A 181 4.712 42.892 10.889 1.00 33.35 C ATOM 1366 CD ARG A 181 3.629 43.155 9.773 1.00 35.87 C ATOM 1367 NE ARG A 181 4.192 42.915 8.433 1.00 39.99 N ATOM 1368 CZ ARG A 181 3.888 41.900 7.567 1.00 44.54 C ATOM 1369 NH1 ARG A 181 2.943 40.980 7.795 1.00 47.55 N ATOM 1370 NH2 ARG A 181 4.542 41.823 6.427 1.00 40.42 N ATOM 0 H ARG A 181 6.834 39.837 10.099 1.00 24.38 H new ATOM 0 HA ARG A 181 7.206 42.019 11.345 1.00 27.37 H new ATOM 0 HB2 ARG A 181 5.245 41.164 9.956 1.00 27.61 H new ATOM 0 HB3 ARG A 181 4.605 40.915 11.356 1.00 27.61 H new ATOM 0 HG2 ARG A 181 4.327 43.082 11.759 1.00 33.35 H new ATOM 0 HG3 ARG A 181 5.452 43.507 10.767 1.00 33.35 H new ATOM 0 HD2 ARG A 181 2.864 42.576 9.916 1.00 35.87 H new ATOM 0 HD3 ARG A 181 3.309 44.069 9.835 1.00 35.87 H new ATOM 0 HE ARG A 181 4.782 43.480 8.163 1.00 39.99 H new ATOM 0 HH11 ARG A 181 2.485 41.006 8.522 1.00 47.55 H new ATOM 0 HH12 ARG A 181 2.794 40.363 7.214 1.00 47.55 H new ATOM 0 HH21 ARG A 181 5.147 42.404 6.238 1.00 40.42 H new ATOM 0 HH22 ARG A 181 4.364 41.192 5.871 1.00 40.42 H new ATOM 1371 N GLU A 182 6.058 39.869 13.399 1.00 25.80 N ATOM 1372 CA GLU A 182 5.816 39.535 14.809 1.00 26.47 C ATOM 1373 C GLU A 182 7.147 39.543 15.582 1.00 24.94 C ATOM 1374 O GLU A 182 7.249 40.045 16.680 1.00 23.54 O ATOM 1375 CB GLU A 182 5.197 38.150 14.835 1.00 28.52 C ATOM 1376 CG GLU A 182 4.923 37.517 16.172 1.00 31.84 C ATOM 1377 CD GLU A 182 4.129 36.221 16.071 1.00 36.60 C ATOM 1378 OE1 GLU A 182 3.176 36.045 16.893 1.00 43.43 O ATOM 1379 OE2 GLU A 182 4.455 35.358 15.226 1.00 38.31 O ATOM 0 H GLU A 182 5.871 39.227 12.858 1.00 25.80 H new ATOM 0 HA GLU A 182 5.226 40.181 15.227 1.00 26.47 H new ATOM 0 HB2 GLU A 182 4.358 38.192 14.350 1.00 28.52 H new ATOM 0 HB3 GLU A 182 5.782 37.555 14.340 1.00 28.52 H new ATOM 0 HG2 GLU A 182 5.766 37.339 16.618 1.00 31.84 H new ATOM 0 HG3 GLU A 182 4.436 38.146 16.727 1.00 31.84 H new ATOM 1380 N LEU A 183 8.170 38.968 14.969 1.00 24.73 N ATOM 1381 CA LEU A 183 9.488 38.928 15.582 1.00 24.94 C ATOM 1382 C LEU A 183 10.109 40.311 15.726 1.00 26.23 C ATOM 1383 O LEU A 183 10.665 40.622 16.792 1.00 25.59 O ATOM 1384 CB LEU A 183 10.422 38.011 14.779 1.00 24.12 C ATOM 1385 CG LEU A 183 10.257 36.532 14.972 1.00 25.38 C ATOM 1386 CD1 LEU A 183 11.108 35.788 13.963 1.00 26.74 C ATOM 1387 CD2 LEU A 183 10.589 36.161 16.442 1.00 28.16 C ATOM 0 H LEU A 183 8.122 38.594 14.196 1.00 24.73 H new ATOM 0 HA LEU A 183 9.373 38.572 16.477 1.00 24.94 H new ATOM 0 HB2 LEU A 183 10.300 38.207 13.837 1.00 24.12 H new ATOM 0 HB3 LEU A 183 11.337 38.244 15.001 1.00 24.12 H new ATOM 0 HG LEU A 183 9.338 36.267 14.814 1.00 25.38 H new ATOM 0 HD11 LEU A 183 11.000 34.832 14.090 1.00 26.74 H new ATOM 0 HD12 LEU A 183 10.830 36.028 13.065 1.00 26.74 H new ATOM 0 HD13 LEU A 183 12.040 36.026 14.087 1.00 26.74 H new ATOM 0 HD21 LEU A 183 10.482 35.205 16.567 1.00 28.16 H new ATOM 0 HD22 LEU A 183 11.505 36.412 16.641 1.00 28.16 H new ATOM 0 HD23 LEU A 183 9.988 36.634 17.039 1.00 28.16 H new ATOM 1388 N ARG A 184 10.052 41.124 14.674 1.00 28.28 N ATOM 1389 CA ARG A 184 10.696 42.458 14.640 1.00 30.26 C ATOM 1390 C ARG A 184 9.915 43.421 15.575 1.00 31.47 C ATOM 1391 O ARG A 184 10.508 44.323 16.209 1.00 33.02 O ATOM 1392 CB ARG A 184 10.825 42.987 13.165 1.00 30.00 C ATOM 1393 CG ARG A 184 11.874 42.199 12.342 1.00 32.02 C ATOM 1394 CD ARG A 184 12.142 42.694 10.906 1.00 32.54 C ATOM 1395 NE ARG A 184 12.956 43.899 10.937 1.00 35.87 N ATOM 1396 CZ ARG A 184 14.248 43.948 11.291 1.00 37.76 C ATOM 1397 NH1 ARG A 184 14.940 42.845 11.632 1.00 38.26 N ATOM 1398 NH2 ARG A 184 14.860 45.124 11.291 1.00 41.47 N ATOM 0 H ARG A 184 9.637 40.924 13.948 1.00 28.28 H new ATOM 0 HA ARG A 184 11.605 42.398 14.973 1.00 30.26 H new ATOM 0 HB2 ARG A 184 9.962 42.926 12.726 1.00 30.00 H new ATOM 0 HB3 ARG A 184 11.070 43.926 13.181 1.00 30.00 H new ATOM 0 HG2 ARG A 184 12.713 42.213 12.829 1.00 32.02 H new ATOM 0 HG3 ARG A 184 11.589 41.273 12.295 1.00 32.02 H new ATOM 0 HD2 ARG A 184 12.594 42.003 10.397 1.00 32.54 H new ATOM 0 HD3 ARG A 184 11.302 42.874 10.456 1.00 32.54 H new ATOM 0 HE ARG A 184 12.579 44.638 10.710 1.00 35.87 H new ATOM 0 HH11 ARG A 184 14.554 42.077 11.627 1.00 38.26 H new ATOM 0 HH12 ARG A 184 15.768 42.909 11.855 1.00 38.26 H new ATOM 0 HH21 ARG A 184 14.428 45.833 11.067 1.00 41.47 H new ATOM 0 HH22 ARG A 184 15.689 45.178 11.515 1.00 41.47 H new ATOM 1399 N GLY A 185 8.617 43.153 15.734 1.00 31.65 N ATOM 1400 CA GLY A 185 7.764 43.860 16.687 1.00 32.83 C ATOM 1401 C GLY A 185 7.950 43.441 18.129 1.00 33.03 C ATOM 1402 O GLY A 185 7.817 44.263 19.025 1.00 34.78 O ATOM 0 H GLY A 185 8.204 42.547 15.285 1.00 31.65 H new ATOM 0 HA2 GLY A 185 7.937 44.812 16.614 1.00 32.83 H new ATOM 0 HA3 GLY A 185 6.837 43.720 16.439 1.00 32.83 H new ATOM 1403 N ALA A 186 8.260 42.181 18.374 1.00 31.57 N ATOM 1404 CA ALA A 186 8.556 41.758 19.743 1.00 32.90 C ATOM 1405 C ALA A 186 9.916 42.409 20.130 1.00 35.32 C ATOM 1406 O ALA A 186 10.058 42.912 21.275 1.00 35.29 O ATOM 1407 CB ALA A 186 8.617 40.265 19.845 1.00 32.20 C ATOM 0 H ALA A 186 8.306 41.561 17.780 1.00 31.57 H new ATOM 0 HA ALA A 186 7.856 42.043 20.351 1.00 32.90 H new ATOM 0 HB1 ALA A 186 8.814 40.011 20.760 1.00 32.20 H new ATOM 0 HB2 ALA A 186 7.763 39.887 19.582 1.00 32.20 H new ATOM 0 HB3 ALA A 186 9.313 39.929 19.259 1.00 32.20 H new ATOM 1408 N ALA A 187 10.868 42.437 19.165 1.00 37.30 N ATOM 1409 CA ALA A 187 12.243 42.954 19.393 1.00 39.72 C ATOM 1410 C ALA A 187 12.181 44.387 19.883 1.00 42.51 C ATOM 1411 O ALA A 187 12.976 44.800 20.750 1.00 42.55 O ATOM 1412 CB ALA A 187 13.131 42.848 18.125 1.00 39.77 C ATOM 0 H ALA A 187 10.733 42.157 18.363 1.00 37.30 H new ATOM 0 HA ALA A 187 12.656 42.398 20.072 1.00 39.72 H new ATOM 0 HB1 ALA A 187 14.016 43.195 18.319 1.00 39.77 H new ATOM 0 HB2 ALA A 187 13.201 41.919 17.855 1.00 39.77 H new ATOM 0 HB3 ALA A 187 12.732 43.363 17.406 1.00 39.77 H new ATOM 1413 N GLU A 188 11.203 45.133 19.365 1.00 45.28 N ATOM 1414 CA GLU A 188 10.998 46.508 19.830 1.00 47.92 C ATOM 1415 C GLU A 188 10.191 46.631 21.138 1.00 48.14 C ATOM 1416 O GLU A 188 10.492 47.511 21.936 1.00 48.88 O ATOM 1417 CB GLU A 188 10.399 47.363 18.701 1.00 49.09 C ATOM 1418 CG GLU A 188 11.325 47.488 17.471 1.00 53.02 C ATOM 1419 CD GLU A 188 12.726 48.062 17.793 1.00 58.07 C ATOM 1420 OE1 GLU A 188 12.814 49.116 18.507 1.00 60.52 O ATOM 1421 OE2 GLU A 188 13.741 47.454 17.338 1.00 59.59 O ATOM 0 H GLU A 188 10.657 44.869 18.755 1.00 45.28 H new ATOM 0 HA GLU A 188 11.876 46.851 20.061 1.00 47.92 H new ATOM 0 HB2 GLU A 188 9.554 46.975 18.424 1.00 49.09 H new ATOM 0 HB3 GLU A 188 10.205 48.250 19.043 1.00 49.09 H new ATOM 0 HG2 GLU A 188 11.430 46.613 17.066 1.00 53.02 H new ATOM 0 HG3 GLU A 188 10.897 48.056 16.812 1.00 53.02 H new ATOM 1422 N ALA A 189 9.206 45.765 21.388 1.00 48.76 N ATOM 1423 CA ALA A 189 8.385 45.870 22.618 1.00 49.46 C ATOM 1424 C ALA A 189 9.203 45.636 23.908 1.00 49.92 C ATOM 1425 O ALA A 189 10.042 44.725 23.957 1.00 50.58 O ATOM 1426 CB ALA A 189 7.183 44.909 22.566 1.00 49.31 C ATOM 0 H ALA A 189 8.992 45.113 20.869 1.00 48.76 H new ATOM 0 HA ALA A 189 8.059 46.783 22.649 1.00 49.46 H new ATOM 0 HB1 ALA A 189 6.663 44.997 23.380 1.00 49.31 H new ATOM 0 HB2 ALA A 189 6.626 45.128 21.802 1.00 49.31 H new ATOM 0 HB3 ALA A 189 7.501 43.997 22.483 1.00 49.31 H new TER 1427 ALA A 189 HETATM 1428 C ACT A1190 19.081 32.345 -6.346 1.00 28.69 C HETATM 1429 O ACT A1190 20.350 32.553 -6.345 1.00 28.43 O HETATM 1430 OXT ACT A1190 18.315 31.483 -5.686 1.00 28.41 O HETATM 1431 CH3 ACT A1190 18.440 33.296 -7.272 1.00 25.51 C HETATM 0 H3 ACT A1190 18.622 34.203 -6.982 1.00 25.51 H new HETATM 0 H2 ACT A1190 18.793 33.166 -8.166 1.00 25.51 H new HETATM 0 H1 ACT A1190 17.482 33.146 -7.279 1.00 25.51 H new HETATM 1432 O HOH A2001 29.957 33.378 5.540 1.00 29.10 O HETATM 1433 O HOH A2002 34.585 37.003 0.536 1.00 39.59 O HETATM 1434 O HOH A2003 34.972 28.896 1.237 1.00 39.64 O HETATM 1435 O HOH A2004 35.615 28.461 -1.320 1.00 32.33 O HETATM 1436 O HOH A2005 35.785 31.279 2.017 1.00 25.61 O HETATM 1437 O HOH A2006 33.513 28.781 -8.905 1.00 43.45 O HETATM 1438 O HOH A2007 32.102 27.669 0.851 1.00 28.55 O HETATM 1439 O HOH A2008 29.949 37.401 -7.781 1.00 29.75 O HETATM 1440 O HOH A2009 29.277 32.949 3.108 1.00 16.61 O HETATM 1441 O HOH A2010 26.917 40.494 0.196 1.00 14.99 O HETATM 1442 O HOH A2011 29.153 38.876 7.266 1.00 26.18 O HETATM 1443 O HOH A2012 23.671 39.165 -20.268 1.00 42.70 O HETATM 1444 O HOH A2013 21.889 36.189 11.234 1.00 17.09 O HETATM 1445 O HOH A2014 22.653 45.666 8.889 1.00 45.83 O HETATM 1446 O HOH A2015 21.889 42.054 11.364 1.00 31.67 O HETATM 1447 O HOH A2016 11.501 41.042 -10.407 1.00 28.02 O HETATM 1448 O HOH A2017 13.822 41.880 -12.758 1.00 36.25 O HETATM 1449 O HOH A2018 19.551 42.136 15.220 1.00 44.10 O HETATM 1450 O HOH A2019 19.472 36.693 14.574 1.00 30.58 O HETATM 1451 O HOH A2020 14.295 40.143 14.508 1.00 44.41 O HETATM 1452 O HOH A2021 1.356 39.157 -5.116 1.00 37.97 O HETATM 1453 O HOH A2022 15.424 26.269 -1.789 1.00 17.61 O HETATM 1454 O HOH A2023 10.306 53.567 -0.422 1.00 52.62 O HETATM 1455 O HOH A2024 0.123 26.615 0.239 1.00 34.54 O HETATM 1456 O HOH A2025 17.206 45.808 -13.114 1.00 39.71 O HETATM 1457 O HOH A2026 15.842 33.854 -11.478 1.00 13.23 O HETATM 1458 O HOH A2027 17.854 32.540 -9.734 1.00 22.41 O HETATM 1459 O HOH A2028 18.943 28.876 -15.700 1.00 22.77 O HETATM 1460 O HOH A2029 21.507 38.490 -16.672 1.00 24.76 O HETATM 1461 O HOH A2030 9.067 42.883 8.423 1.00 30.40 O HETATM 1462 O HOH A2031 21.447 37.752 -19.239 1.00 34.09 O HETATM 1463 O HOH A2032 23.388 42.871 -13.064 1.00 39.84 O HETATM 1464 O HOH A2033 27.202 23.441 -14.247 1.00 45.26 O HETATM 1465 O HOH A2034 24.050 43.083 -8.984 1.00 42.72 O HETATM 1466 O HOH A2035 28.581 35.134 -11.779 1.00 28.35 O HETATM 1467 O HOH A2036 13.581 19.145 -11.295 1.00 38.87 O HETATM 1468 O HOH A2037 13.415 39.342 -11.198 1.00 22.79 O HETATM 1469 O HOH A2038 18.076 32.835 -2.060 1.00 16.35 O HETATM 1470 O HOH A2039 17.326 40.481 -14.981 1.00 46.17 O HETATM 1471 O HOH A2040 16.198 31.953 -15.365 1.00 36.03 O HETATM 1472 O HOH A2041 11.857 35.438 -18.247 1.00 36.03 O HETATM 1473 O HOH A2042 9.970 41.496 -12.326 1.00 38.13 O HETATM 1474 O HOH A2043 5.637 35.788 -13.239 1.00 43.62 O HETATM 1475 O HOH A2044 6.723 32.908 -18.011 1.00 49.15 O HETATM 1476 O HOH A2045 11.354 32.699 -17.769 1.00 40.85 O HETATM 1477 O HOH A2046 26.782 32.871 17.805 1.00 49.86 O HETATM 1478 O HOH A2047 13.873 31.940 -12.360 1.00 20.05 O HETATM 1479 O HOH A2048 13.143 30.579 -7.933 1.00 19.46 O HETATM 1480 O HOH A2049 9.427 39.508 -8.867 1.00 25.95 O HETATM 1481 O HOH A2050 12.037 37.822 -8.561 1.00 24.75 O HETATM 1482 O HOH A2051 13.654 16.155 -6.134 1.00 48.87 O HETATM 1483 O HOH A2052 3.717 42.903 -5.050 1.00 38.03 O HETATM 1484 O HOH A2053 3.432 37.779 -5.704 1.00 34.64 O HETATM 1485 O HOH A2054 5.067 44.951 -6.101 1.00 33.80 O HETATM 1486 O HOH A2055 11.215 43.207 -2.958 1.00 21.22 O HETATM 1487 O HOH A2056 10.724 25.369 18.754 1.00 36.92 O HETATM 1488 O HOH A2057 13.745 23.245 20.068 1.00 42.07 O HETATM 1489 O HOH A2058 13.924 27.453 21.484 1.00 44.33 O HETATM 1490 O HOH A2059 13.544 49.374 -5.457 1.00 41.38 O HETATM 1491 O HOH A2060 12.914 51.994 -0.510 1.00 45.68 O HETATM 1492 O HOH A2061 7.502 48.942 -5.400 1.00 35.15 O HETATM 1493 O HOH A2062 11.952 43.466 -9.153 1.00 25.05 O HETATM 1494 O HOH A2063 -0.103 24.243 -1.645 1.00 30.96 O HETATM 1495 O HOH A2064 22.956 44.686 -3.971 1.00 16.27 O HETATM 1496 O HOH A2065 18.814 44.839 -11.275 1.00 29.69 O HETATM 1497 O HOH A2066 23.735 46.887 -14.102 1.00 41.89 O HETATM 1498 O HOH A2067 24.824 44.410 -7.302 0.50 25.03 O HETATM 1499 O HOH A2068 -1.813 28.028 0.290 1.00 37.65 O HETATM 1500 O HOH A2069 15.719 51.149 -7.548 1.00 43.79 O HETATM 1501 O HOH A2070 19.446 51.461 -5.498 1.00 26.58 O HETATM 1502 O HOH A2071 0.115 33.337 10.062 1.00 37.54 O HETATM 1503 O HOH A2072 25.435 44.045 -4.972 0.50 18.46 O HETATM 1504 O HOH A2073 27.125 41.286 -2.495 1.00 15.36 O HETATM 1505 O HOH A2074 26.635 41.354 -6.893 1.00 17.84 O HETATM 1506 O HOH A2075 24.324 46.208 2.507 1.00 31.95 O HETATM 1507 O HOH A2076 16.250 47.969 -0.586 1.00 36.19 O HETATM 1508 O HOH A2077 19.591 43.816 9.981 1.00 44.75 O HETATM 1509 O HOH A2078 17.386 51.255 6.473 1.00 36.93 O HETATM 1510 O HOH A2079 12.967 51.518 3.265 1.00 40.51 O HETATM 1511 O HOH A2080 11.415 42.602 7.133 1.00 31.26 O HETATM 1512 O HOH A2081 23.803 32.462 -5.097 1.00 15.88 O HETATM 1513 O HOH A2082 27.792 25.616 -2.865 1.00 24.68 O HETATM 1514 O HOH A2083 26.203 31.816 -6.430 1.00 16.75 O HETATM 1515 O HOH A2084 34.054 23.870 -1.098 1.00 40.42 O HETATM 1516 O HOH A2085 29.807 26.754 -12.409 1.00 32.77 O HETATM 1517 O HOH A2086 29.679 24.358 -4.370 1.00 25.00 O HETATM 1518 O HOH A2087 27.850 24.684 -6.308 1.00 18.67 O HETATM 1519 O HOH A2088 23.113 24.265 -15.629 1.00 43.09 O HETATM 1520 O HOH A2089 27.394 26.409 -13.572 1.00 30.97 O HETATM 1521 O HOH A2090 23.357 28.303 -16.237 1.00 30.30 O HETATM 1522 O HOH A2091 24.379 26.240 -16.541 1.00 51.02 O HETATM 1523 O HOH A2092 17.857 26.949 -10.310 1.00 38.72 O HETATM 1524 O HOH A2093 20.387 24.492 -16.500 1.00 27.67 O HETATM 1525 O HOH A2094 15.084 24.816 -11.189 1.00 42.78 O HETATM 1526 O HOH A2095 13.675 24.673 -6.964 1.00 35.80 O HETATM 1527 O HOH A2096 13.081 22.028 -8.619 1.00 33.14 O HETATM 1528 O HOH A2097 19.264 17.740 -10.180 1.00 31.39 O HETATM 1529 O HOH A2098 14.502 21.380 -12.762 1.00 28.89 O HETATM 1530 O HOH A2099 21.973 17.329 -9.204 1.00 32.21 O HETATM 1531 O HOH A2100 30.700 21.608 -4.692 1.00 31.56 O HETATM 1532 O HOH A2101 29.897 16.697 -12.942 1.00 47.93 O HETATM 1533 O HOH A2102 26.912 17.624 -3.682 1.00 20.25 O HETATM 1534 O HOH A2103 25.963 25.907 0.294 1.00 22.47 O HETATM 1535 O HOH A2104 31.406 21.669 4.772 1.00 35.33 O HETATM 1536 O HOH A2105 28.318 26.880 -0.365 1.00 23.22 O HETATM 1537 O HOH A2106 23.345 24.634 11.552 1.00 37.10 O HETATM 1538 O HOH A2107 29.746 27.116 11.669 1.00 30.35 O HETATM 1539 O HOH A2108 25.191 28.253 1.480 1.00 18.99 O HETATM 1540 O HOH A2109 25.798 35.266 15.750 1.00 36.51 O HETATM 1541 O HOH A2110 23.109 35.943 15.226 1.00 31.87 O HETATM 1542 O HOH A2111 12.915 31.661 15.477 1.00 40.81 O HETATM 1543 O HOH A2112 14.579 27.951 -4.703 1.00 28.06 O HETATM 1544 O HOH A2113 8.454 24.375 -4.528 1.00 14.74 O HETATM 1545 O HOH A2114 13.706 19.873 -8.503 1.00 29.16 O HETATM 1546 O HOH A2115 10.987 22.519 -5.762 1.00 21.16 O HETATM 1547 O HOH A2116 15.821 16.630 -10.457 1.00 42.03 O HETATM 1548 O HOH A2117 15.436 16.501 -3.564 1.00 41.24 O HETATM 1549 O HOH A2118 17.088 14.632 -0.495 1.00 38.41 O HETATM 1550 O HOH A2119 19.429 14.441 -2.049 1.00 36.51 O HETATM 1551 O HOH A2120 22.209 17.407 -1.076 1.00 26.28 O HETATM 1552 O HOH A2121 22.195 18.792 5.106 1.00 43.65 O HETATM 1553 O HOH A2122 16.998 16.349 8.424 1.00 49.71 O HETATM 1554 O HOH A2123 12.618 14.518 -3.759 1.00 35.38 O HETATM 1555 O HOH A2124 1.767 22.079 2.067 1.00 39.74 O HETATM 1556 O HOH A2125 4.055 23.314 8.052 1.00 34.04 O HETATM 1557 O HOH A2126 10.327 19.003 7.793 1.00 43.35 O HETATM 1558 O HOH A2127 11.435 24.989 12.517 1.00 32.25 O HETATM 1559 O HOH A2128 16.503 21.045 15.263 1.00 42.34 O HETATM 1560 O HOH A2129 13.299 25.623 19.643 1.00 39.87 O HETATM 1561 O HOH A2130 19.336 22.764 18.923 1.00 42.99 O HETATM 1562 O HOH A2131 18.304 31.493 20.928 1.00 28.16 O HETATM 1563 O HOH A2132 13.253 29.100 17.228 1.00 44.63 O HETATM 1564 O HOH A2133 21.006 28.205 20.405 1.00 44.66 O HETATM 1565 O HOH A2134 6.482 29.907 13.355 1.00 37.77 O HETATM 1566 O HOH A2135 11.779 30.508 -5.402 1.00 21.04 O HETATM 1567 O HOH A2136 6.167 29.904 -9.366 1.00 24.62 O HETATM 1568 O HOH A2137 5.641 26.922 -6.921 1.00 28.72 O HETATM 1569 O HOH A2138 -1.021 27.044 -9.399 1.00 39.61 O HETATM 1570 O HOH A2139 -2.464 23.972 -8.480 1.00 33.89 O HETATM 1571 O HOH A2140 0.965 23.769 -4.295 1.00 53.07 O HETATM 1572 O HOH A2141 -2.240 30.608 -0.900 1.00 21.35 O HETATM 1573 O HOH A2142 1.911 28.180 5.745 1.00 44.15 O HETATM 1574 O HOH A2143 -0.356 40.883 1.873 1.00 38.28 O HETATM 1575 O HOH A2144 2.729 33.333 10.550 1.00 30.18 O HETATM 1576 O HOH A2145 2.527 39.853 12.263 1.00 34.03 O HETATM 1577 O HOH A2146 6.571 30.198 16.190 1.00 45.12 O HETATM 1578 O HOH A2147 5.259 40.605 18.296 1.00 35.55 O HETATM 1579 O HOH A2148 3.015 35.535 12.851 1.00 40.11 O HETATM 1580 O HOH A2149 12.219 39.136 18.381 1.00 37.60 O HETATM 1581 O HOH A2150 13.090 44.659 25.797 1.00 38.64 O HETATM 1582 O HOH A2151 22.251 34.255 -6.680 1.00 20.47 O HETATM 1583 O HOH A2152 16.767 29.265 -6.289 1.00 28.39 O CONECT 1428 1429 1430 1431 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1428 END