USER MOD reduce.3.24.130724 H: found=0, std=0, add=1423, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 29-SEP-05 2C2Q TITLE THE CRYSTAL STRUCTURE OF MISMATCH SPECIFIC URACIL-DNA TITLE 2 GLYCOSYLASE (MUG) FROM DEINOCOCCUS RADIODURANS. INACTIVE TITLE 3 MUTANT ASP93ALA. 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 MUTATION: YES; COMPND 8 OTHER_DETAILS: ACETATE BOUND IN THE SUBSTRATE POCKET. COMPND 9 INACTIVE MUTANT ASP93ALA. 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 2C2Q 1 VERSN REVDAT 2 18-JAN-06 2C2Q 1 JRNL REVDAT 1 18-OCT-05 2C2Q 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. 1.7 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0003 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 88.74 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 23788 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) : 0.209 REMARK 3 R VALUE (WORKING SET) : 0.208 REMARK 3 FREE R VALUE : 0.244 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1278 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1741 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3190 REMARK 3 BIN FREE R VALUE SET COUNT : 83 REMARK 3 BIN FREE R VALUE : 0.4140 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1423 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 160 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.89000 REMARK 3 B22 (A**2) : 0.89000 REMARK 3 B33 (A**2) : -1.33000 REMARK 3 B12 (A**2) : 0.44000 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): 0.109 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.078 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.353 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.929 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1470 ; 0.021 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2013 ; 1.877 ; 1.952 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 182 ; 8.273 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 63 ;33.949 ;22.063 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 216 ;14.754 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;19.371 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 217 ; 0.141 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1156 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 808 ; 0.219 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 992 ; 0.312 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 150 ; 0.147 ; 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): 38 ; 0.303 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 19 ; 0.149 ; 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): 943 ; 1.377 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1481 ; 2.040 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 612 ; 2.803 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 532 ; 4.137 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. RESIDUES 1-6 AND 190-199 ARE DISORDERED AND REMARK 3 THEREFORE NOT MODELLED. INACTIVE MUTANT ASP93ALA REMARK 4 REMARK 4 2C2Q 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-25828. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-NOV-04 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 : ID14-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.934 REMARK 200 MONOCHROMATOR : 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 : 25019 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 37.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : 0.07000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.79 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 6.70 REMARK 200 R MERGE FOR SHELL (I) : 0.60000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.700 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 2C2P 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 400 REMARK 400 COMPOUND REMARK 400 ENGINEERED RESIDUE IN CHAIN A, ASP 93 TO ALA. INACTIVE MUTANT REMARK 400 ASP93ALA 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: 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. = 6.8 DEGREES REMARK 500 LEU A 57 CB - CG - CD2 ANGL. DEV. = 11.1 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 -124.40 -87.41 REMARK 500 LEU A 146 113.49 -161.70 REMARK 500 ASN A 166 -110.42 24.03 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP A 147 TRP A 148 -145.42 REMARK 500 HIS A 165 ASN A 166 122.51 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: 2C2P RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURE OF MISMATCH SPECIFIC REMARK 900 URACIL-DNA GLYCOSYLASE (MUG) FROM DEINOCOCCUS REMARK 900 RADIODURANS DBREF 2C2Q A 1 199 UNP Q9RWF4 Q9RWF4_DEIRA 1 199 SEQADV 2C2Q ALA A 93 PDB Q9RWF4 ASP 93 ENGINEERED MUTATION 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 ALA 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 *160(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 CISPEP 1 LEU A 146 ASP A 147 0 -25.34 SITE *** AC1 7 PRO A 35 TYR A 45 TYR A 46 ASP A 84 SITE *** AC1 7 HOH A2025 HOH A2159 HOH A2160 CRYST1 102.491 102.491 37.576 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 0.009757 0.005633 0.000000 0.00000 SCALE2 0.000000 0.011266 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026613 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 166 ASN : amide:sc= -0.689 K(o=-0.92,f=-2.1) USER MOD Set 1.2: A 167 HIS : no HD1:sc= -0.23 K(o=-0.92,f=-2.4) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 156:sc= -0.0725 (180deg=-2.08!) USER MOD Set 2.2: A 165 HIS : no HD1:sc= 0.747 K(o=0.67,f=-6.9!) USER MOD Set 3.1: A 16 TYR OH : rot 15:sc= 1.85 USER MOD Set 3.2: A 109 LYS NZ :NH3+ -175:sc= 2.37 (180deg=1.81) USER MOD Set 4.1: A 51 ASN : amide:sc= 2.07 K(o=3.9,f=-1.8!) USER MOD Set 4.2: A 160 THR OG1 : rot 103:sc= 1.85 USER MOD Set 5.1: A 46 TYR OH : rot 143:sc= 2.07 USER MOD Set 5.2: A 121 THR OG1 : rot -160:sc= 1.73 USER MOD Set 6.1: A 45 TYR OH : rot 176:sc= 0.96 USER MOD Set 6.2: A 87 LYS NZ :NH3+ -172:sc= 2.19 (180deg=2.37) USER MOD Set 7.1: A 36 SER OG : rot -63:sc= 0.648 USER MOD Set 7.2: A 39 SER OG : rot 157:sc= 1.31 USER MOD Single : A 11 THR OG1 : rot -96:sc= 1.47 USER MOD Single : A 13 SER OG : rot 96:sc= 0.605 USER MOD Single : A 23 GLN : amide:sc= 1.43 X(o=1.4,f=1.1) USER MOD Single : A 27 THR OG1 : rot -140:sc= 0.243 USER MOD Single : A 33 THR OG1 : rot -96:sc= 0.307 USER MOD Single : A 48 ASN : amide:sc= 1.47 K(o=1.5,f=-7.8!) USER MOD Single : A 56 THR OG1 : rot 77:sc= 1.77 USER MOD Single : A 58 HIS : no HE2:sc= 1.51 K(o=1.5,f=-4.1!) USER MOD Single : A 63 THR OG1 : rot 100:sc= 2.24 USER MOD Single : A 66 GLN : amide:sc= 1.99 K(o=2,f=0.57) USER MOD Single : A 70 GLN : amide:sc= 0.0289 X(o=0.029,f=0) USER MOD Single : A 72 TYR OH : rot -164:sc= 2.41 USER MOD Single : A 74 THR OG1 : rot -69:sc= 2.11 USER MOD Single : A 77 GLN : amide:sc= 1.03 X(o=1,f=0.78) USER MOD Single : A 78 TYR OH : rot 41:sc= 1.78 USER MOD Single : A 83 THR OG1 : rot 70:sc= 2.34 USER MOD Single : A 89 HIS : no HD1:sc= 1.07 K(o=1.1,f=-3.5!) USER MOD Single : A 90 SER OG : rot 76:sc= 1.68 USER MOD Single : A 112 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=0.00023) USER MOD Single : A 113 TYR OH : rot 162:sc= 1.34 USER MOD Single : A 122 SER OG : rot -22:sc= 0.963 USER MOD Single : A 123 LYS NZ :NH3+ -145:sc= 0.876 (180deg=0.153) USER MOD Single : A 127 SER OG : rot 75:sc= 1.43 USER MOD Single : A 129 THR OG1 : rot 158:sc= 0.19 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 USER MOD Single : A 142 GLN : amide:sc= 1.12 K(o=1.1,f=-0.11) USER MOD Single : A 144 GLN : amide:sc= 2.52 K(o=2.5,f=-2) USER MOD Single : A 152 THR OG1 : rot -61:sc= 0.789 USER MOD Single : A 159 SER OG : rot 109:sc= 0.874 USER MOD Single : A 161 SER OG : rot 80:sc= 0.729 USER MOD Single : A 174 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 7 34.517 29.662 7.846 1.00 30.85 N ATOM 2 CA VAL A 7 33.256 29.976 7.065 1.00 30.46 C ATOM 3 C VAL A 7 33.707 30.595 5.738 1.00 28.30 C ATOM 4 O VAL A 7 34.668 31.367 5.738 1.00 28.99 O ATOM 5 CB VAL A 7 32.252 30.911 7.869 1.00 30.66 C ATOM 6 CG1 VAL A 7 32.625 32.417 7.828 1.00 31.80 C ATOM 7 CG2 VAL A 7 30.818 30.721 7.383 1.00 32.12 C ATOM 0 HA VAL A 7 32.746 29.167 6.906 1.00 30.46 H new ATOM 0 HB VAL A 7 32.326 30.630 8.795 1.00 30.66 H new ATOM 0 HG11 VAL A 7 31.974 32.926 8.336 1.00 31.80 H new ATOM 0 HG12 VAL A 7 33.506 32.543 8.214 1.00 31.80 H new ATOM 0 HG13 VAL A 7 32.629 32.725 6.908 1.00 31.80 H new ATOM 0 HG21 VAL A 7 30.226 31.301 7.887 1.00 32.12 H new ATOM 0 HG22 VAL A 7 30.763 30.944 6.441 1.00 32.12 H new ATOM 0 HG23 VAL A 7 30.552 29.797 7.512 1.00 32.12 H new ATOM 8 N PRO A 8 33.069 30.272 4.612 1.00 26.50 N ATOM 9 CA PRO A 8 33.466 30.921 3.350 1.00 25.36 C ATOM 10 C PRO A 8 33.254 32.453 3.454 1.00 23.46 C ATOM 11 O PRO A 8 32.429 32.899 4.266 1.00 23.39 O ATOM 12 CB PRO A 8 32.521 30.310 2.317 1.00 24.67 C ATOM 13 CG PRO A 8 31.949 29.071 2.949 1.00 25.49 C ATOM 14 CD PRO A 8 31.955 29.320 4.418 1.00 27.73 C ATOM 0 HA PRO A 8 34.400 30.786 3.125 1.00 25.36 H new ATOM 0 HB2 PRO A 8 31.817 30.934 2.080 1.00 24.67 H new ATOM 0 HB3 PRO A 8 32.996 30.094 1.499 1.00 24.67 H new ATOM 0 HG2 PRO A 8 31.049 28.902 2.629 1.00 25.49 H new ATOM 0 HG3 PRO A 8 32.481 28.291 2.727 1.00 25.49 H new ATOM 0 HD2 PRO A 8 31.112 29.693 4.719 1.00 27.73 H new ATOM 0 HD3 PRO A 8 32.097 28.500 4.917 1.00 27.73 H new ATOM 15 N ASP A 9 34.017 33.252 2.706 1.00 21.47 N ATOM 16 CA ASP A 9 33.685 34.671 2.543 1.00 19.86 C ATOM 17 C ASP A 9 32.483 34.799 1.581 1.00 17.19 C ATOM 18 O ASP A 9 32.025 33.829 1.068 1.00 15.88 O ATOM 19 CB ASP A 9 34.876 35.485 2.055 1.00 21.25 C ATOM 20 CG ASP A 9 35.428 35.016 0.690 1.00 23.01 C ATOM 21 OD1 ASP A 9 34.760 34.356 -0.073 1.00 26.79 O ATOM 22 OD2 ASP A 9 36.568 35.229 0.277 1.00 27.70 O ATOM 0 H ASP A 9 34.724 32.997 2.288 1.00 21.47 H new ATOM 0 HA ASP A 9 33.445 35.036 3.409 1.00 19.86 H new ATOM 0 HB2 ASP A 9 34.615 36.417 1.987 1.00 21.25 H new ATOM 0 HB3 ASP A 9 35.584 35.436 2.716 1.00 21.25 H new ATOM 23 N LEU A 10 32.012 36.010 1.356 1.00 17.08 N ATOM 24 CA LEU A 10 30.774 36.186 0.594 1.00 16.52 C ATOM 25 C LEU A 10 30.911 35.802 -0.893 1.00 18.44 C ATOM 26 O LEU A 10 29.892 35.533 -1.572 1.00 15.88 O ATOM 27 CB LEU A 10 30.337 37.639 0.717 1.00 14.72 C ATOM 28 CG LEU A 10 29.841 38.056 2.080 1.00 15.07 C ATOM 29 CD1 LEU A 10 29.524 39.575 2.102 1.00 15.99 C ATOM 30 CD2 LEU A 10 28.574 37.232 2.461 1.00 14.82 C ATOM 0 H LEU A 10 32.381 36.738 1.627 1.00 17.08 H new ATOM 0 HA LEU A 10 30.110 35.585 0.967 1.00 16.52 H new ATOM 0 HB2 LEU A 10 31.085 38.207 0.475 1.00 14.72 H new ATOM 0 HB3 LEU A 10 29.634 37.805 0.070 1.00 14.72 H new ATOM 0 HG LEU A 10 30.537 37.880 2.732 1.00 15.07 H new ATOM 0 HD11 LEU A 10 29.207 39.827 2.983 1.00 15.99 H new ATOM 0 HD12 LEU A 10 30.327 40.076 1.892 1.00 15.99 H new ATOM 0 HD13 LEU A 10 28.839 39.772 1.444 1.00 15.99 H new ATOM 0 HD21 LEU A 10 28.261 37.505 3.338 1.00 14.82 H new ATOM 0 HD22 LEU A 10 27.876 37.389 1.806 1.00 14.82 H new ATOM 0 HD23 LEU A 10 28.795 36.288 2.477 1.00 14.82 H new ATOM 31 N THR A 11 32.150 35.805 -1.405 1.00 18.81 N ATOM 32 CA THR A 11 32.374 35.443 -2.831 1.00 19.55 C ATOM 33 C THR A 11 32.957 34.046 -2.995 1.00 19.98 C ATOM 34 O THR A 11 33.273 33.626 -4.103 1.00 19.90 O ATOM 35 CB THR A 11 33.317 36.466 -3.537 1.00 21.51 C ATOM 36 OG1 THR A 11 34.651 36.344 -2.978 1.00 18.41 O ATOM 37 CG2 THR A 11 32.927 37.953 -3.297 1.00 20.94 C ATOM 0 H THR A 11 32.861 36.006 -0.964 1.00 18.81 H new ATOM 0 HA THR A 11 31.498 35.462 -3.248 1.00 19.55 H new ATOM 0 HB THR A 11 33.256 36.260 -4.483 1.00 21.51 H new ATOM 0 HG1 THR A 11 34.756 36.918 -2.374 1.00 18.41 H new ATOM 0 HG21 THR A 11 33.552 38.531 -3.762 1.00 20.94 H new ATOM 0 HG22 THR A 11 32.031 38.111 -3.632 1.00 20.94 H new ATOM 0 HG23 THR A 11 32.955 38.146 -2.347 1.00 20.94 H new ATOM 38 N GLY A 12 33.140 33.325 -1.890 1.00 20.48 N ATOM 39 CA GLY A 12 33.648 31.961 -1.931 1.00 21.70 C ATOM 40 C GLY A 12 35.086 31.991 -2.456 1.00 22.10 C ATOM 41 O GLY A 12 35.488 31.072 -3.181 1.00 24.63 O ATOM 0 H GLY A 12 32.973 33.615 -1.098 1.00 20.48 H new ATOM 0 HA2 GLY A 12 33.621 31.565 -1.046 1.00 21.70 H new ATOM 0 HA3 GLY A 12 33.091 31.412 -2.505 1.00 21.70 H new ATOM 42 N SER A 13 35.816 33.037 -2.082 1.00 23.96 N ATOM 43 CA SER A 13 37.212 33.296 -2.507 1.00 25.67 C ATOM 44 C SER A 13 37.243 33.431 -4.037 1.00 26.51 C ATOM 45 O SER A 13 38.063 32.787 -4.708 1.00 27.80 O ATOM 46 CB SER A 13 38.125 32.162 -2.058 1.00 25.48 C ATOM 47 OG SER A 13 38.009 31.958 -0.665 1.00 28.01 O ATOM 0 H SER A 13 35.510 33.644 -1.555 1.00 23.96 H new ATOM 0 HA SER A 13 37.530 34.116 -2.098 1.00 25.67 H new ATOM 0 HB2 SER A 13 37.894 31.347 -2.530 1.00 25.48 H new ATOM 0 HB3 SER A 13 39.045 32.370 -2.285 1.00 25.48 H new ATOM 0 HG SER A 13 37.459 31.340 -0.517 1.00 28.01 H new ATOM 48 N GLY A 14 36.316 34.243 -4.561 1.00 25.85 N ATOM 49 CA GLY A 14 36.063 34.345 -6.003 1.00 26.52 C ATOM 50 C GLY A 14 35.514 33.152 -6.799 1.00 25.63 C ATOM 51 O GLY A 14 35.464 33.196 -8.035 1.00 28.65 O ATOM 0 H GLY A 14 35.814 34.753 -4.085 1.00 25.85 H new ATOM 0 HA2 GLY A 14 35.443 35.080 -6.131 1.00 26.52 H new ATOM 0 HA3 GLY A 14 36.900 34.603 -6.420 1.00 26.52 H new ATOM 52 N GLU A 15 35.127 32.063 -6.173 1.00 23.88 N ATOM 53 CA GLU A 15 34.586 30.968 -6.956 1.00 22.37 C ATOM 54 C GLU A 15 33.075 31.152 -7.195 1.00 22.00 C ATOM 55 O GLU A 15 32.522 30.581 -8.131 1.00 23.90 O ATOM 56 CB GLU A 15 34.853 29.645 -6.303 1.00 24.42 C ATOM 57 CG GLU A 15 36.364 29.396 -6.145 1.00 26.97 C ATOM 58 CD GLU A 15 36.709 28.020 -5.606 1.00 33.95 C ATOM 59 OE1 GLU A 15 35.813 27.165 -5.361 1.00 32.70 O ATOM 60 OE2 GLU A 15 37.944 27.763 -5.447 1.00 36.40 O ATOM 0 H GLU A 15 35.165 31.934 -5.324 1.00 23.88 H new ATOM 0 HA GLU A 15 35.036 30.977 -7.815 1.00 22.37 H new ATOM 0 HB2 GLU A 15 34.426 29.619 -5.433 1.00 24.42 H new ATOM 0 HB3 GLU A 15 34.459 28.935 -6.833 1.00 24.42 H new ATOM 0 HG2 GLU A 15 36.794 29.513 -7.007 1.00 26.97 H new ATOM 0 HG3 GLU A 15 36.733 30.068 -5.551 1.00 26.97 H new ATOM 61 N TYR A 16 32.413 31.900 -6.329 1.00 19.76 N ATOM 62 CA TYR A 16 30.928 31.981 -6.468 1.00 18.31 C ATOM 63 C TYR A 16 30.588 32.853 -7.679 1.00 17.12 C ATOM 64 O TYR A 16 31.225 33.886 -7.908 1.00 18.21 O ATOM 65 CB TYR A 16 30.300 32.589 -5.244 1.00 17.22 C ATOM 66 CG TYR A 16 30.326 31.747 -3.988 1.00 17.94 C ATOM 67 CD1 TYR A 16 30.743 30.392 -3.989 1.00 16.91 C ATOM 68 CD2 TYR A 16 29.950 32.326 -2.767 1.00 15.42 C ATOM 69 CE1 TYR A 16 30.763 29.674 -2.805 1.00 17.49 C ATOM 70 CE2 TYR A 16 29.991 31.629 -1.596 1.00 14.69 C ATOM 71 CZ TYR A 16 30.385 30.317 -1.605 1.00 16.75 C ATOM 72 OH TYR A 16 30.367 29.680 -0.383 1.00 19.56 O ATOM 0 H TYR A 16 32.759 32.351 -5.684 1.00 19.76 H new ATOM 0 HA TYR A 16 30.582 31.082 -6.581 1.00 18.31 H new ATOM 0 HB2 TYR A 16 30.749 33.428 -5.057 1.00 17.22 H new ATOM 0 HB3 TYR A 16 29.376 32.801 -5.449 1.00 17.22 H new ATOM 0 HD1 TYR A 16 31.003 29.986 -4.784 1.00 16.91 H new ATOM 0 HD2 TYR A 16 29.664 33.211 -2.756 1.00 15.42 H new ATOM 0 HE1 TYR A 16 31.022 28.781 -2.800 1.00 17.49 H new ATOM 0 HE2 TYR A 16 29.753 32.041 -0.797 1.00 14.69 H new ATOM 0 HH TYR A 16 30.795 28.959 -0.436 1.00 19.56 H new ATOM 73 N LEU A 17 29.567 32.454 -8.433 1.00 17.55 N ATOM 74 CA LEU A 17 29.142 33.166 -9.634 1.00 17.16 C ATOM 75 C LEU A 17 28.534 34.511 -9.252 1.00 17.22 C ATOM 76 O LEU A 17 28.731 35.500 -9.944 1.00 18.32 O ATOM 77 CB LEU A 17 28.162 32.331 -10.479 1.00 17.27 C ATOM 78 CG LEU A 17 28.600 30.898 -10.889 1.00 19.72 C ATOM 79 CD1 LEU A 17 27.579 30.281 -11.747 1.00 20.05 C ATOM 80 CD2 LEU A 17 29.990 30.940 -11.588 1.00 22.13 C ATOM 0 H LEU A 17 29.097 31.755 -8.259 1.00 17.55 H new ATOM 0 HA LEU A 17 29.924 33.322 -10.186 1.00 17.16 H new ATOM 0 HB2 LEU A 17 27.330 32.259 -9.986 1.00 17.27 H new ATOM 0 HB3 LEU A 17 27.969 32.827 -11.290 1.00 17.27 H new ATOM 0 HG LEU A 17 28.687 30.350 -10.093 1.00 19.72 H new ATOM 0 HD11 LEU A 17 27.863 29.388 -11.997 1.00 20.05 H new ATOM 0 HD12 LEU A 17 26.739 30.230 -11.265 1.00 20.05 H new ATOM 0 HD13 LEU A 17 27.461 30.817 -12.546 1.00 20.05 H new ATOM 0 HD21 LEU A 17 30.253 30.041 -11.839 1.00 22.13 H new ATOM 0 HD22 LEU A 17 29.937 31.495 -12.382 1.00 22.13 H new ATOM 0 HD23 LEU A 17 30.648 31.311 -10.979 1.00 22.13 H new ATOM 81 N VAL A 18 27.813 34.561 -8.106 1.00 14.75 N ATOM 82 CA VAL A 18 27.222 35.778 -7.586 1.00 12.84 C ATOM 83 C VAL A 18 27.457 35.755 -6.039 1.00 11.69 C ATOM 84 O VAL A 18 27.388 34.659 -5.492 1.00 12.22 O ATOM 85 CB VAL A 18 25.710 35.832 -7.826 1.00 12.44 C ATOM 86 CG1 VAL A 18 25.227 37.235 -7.452 1.00 13.74 C ATOM 87 CG2 VAL A 18 25.420 35.544 -9.353 1.00 16.79 C ATOM 0 H VAL A 18 27.663 33.870 -7.617 1.00 14.75 H new ATOM 0 HA VAL A 18 27.623 36.543 -8.028 1.00 12.84 H new ATOM 0 HB VAL A 18 25.247 35.169 -7.290 1.00 12.44 H new ATOM 0 HG11 VAL A 18 24.270 37.297 -7.595 1.00 13.74 H new ATOM 0 HG12 VAL A 18 25.426 37.408 -6.518 1.00 13.74 H new ATOM 0 HG13 VAL A 18 25.679 37.891 -8.005 1.00 13.74 H new ATOM 0 HG21 VAL A 18 24.464 35.577 -9.513 1.00 16.79 H new ATOM 0 HG22 VAL A 18 25.861 36.214 -9.898 1.00 16.79 H new ATOM 0 HG23 VAL A 18 25.757 34.665 -9.586 1.00 16.79 H new ATOM 88 N PRO A 19 27.863 36.871 -5.423 1.00 13.40 N ATOM 89 CA PRO A 19 28.114 36.901 -3.969 1.00 12.53 C ATOM 90 C PRO A 19 26.878 36.469 -3.161 1.00 13.51 C ATOM 91 O PRO A 19 25.721 36.743 -3.561 1.00 13.90 O ATOM 92 CB PRO A 19 28.415 38.371 -3.669 1.00 15.43 C ATOM 93 CG PRO A 19 29.020 38.885 -4.931 1.00 15.66 C ATOM 94 CD PRO A 19 28.153 38.205 -6.019 1.00 14.08 C ATOM 0 HA PRO A 19 28.830 36.293 -3.726 1.00 12.53 H new ATOM 0 HB2 PRO A 19 27.608 38.858 -3.439 1.00 15.43 H new ATOM 0 HB3 PRO A 19 29.025 38.462 -2.921 1.00 15.43 H new ATOM 0 HG2 PRO A 19 28.975 39.852 -4.985 1.00 15.66 H new ATOM 0 HG3 PRO A 19 29.955 38.640 -5.009 1.00 15.66 H new ATOM 0 HD2 PRO A 19 27.341 38.704 -6.196 1.00 14.08 H new ATOM 0 HD3 PRO A 19 28.628 38.128 -6.861 1.00 14.08 H new ATOM 95 N ASP A 20 27.122 35.765 -2.083 1.00 13.94 N ATOM 96 CA ASP A 20 26.164 35.721 -0.951 1.00 13.79 C ATOM 97 C ASP A 20 25.850 37.088 -0.375 1.00 14.53 C ATOM 98 O ASP A 20 26.663 38.033 -0.482 1.00 13.55 O ATOM 99 CB ASP A 20 26.703 34.836 0.126 1.00 12.93 C ATOM 100 CG ASP A 20 26.564 33.392 -0.242 1.00 13.12 C ATOM 101 OD1 ASP A 20 25.762 33.025 -1.184 1.00 14.51 O ATOM 102 OD2 ASP A 20 27.264 32.554 0.355 1.00 15.88 O ATOM 0 H ASP A 20 27.833 35.296 -1.966 1.00 13.94 H new ATOM 0 HA ASP A 20 25.332 35.368 -1.302 1.00 13.79 H new ATOM 0 HB2 ASP A 20 27.637 35.044 0.282 1.00 12.93 H new ATOM 0 HB3 ASP A 20 26.231 35.008 0.956 1.00 12.93 H new ATOM 103 N VAL A 21 24.627 37.244 0.183 1.00 14.63 N ATOM 104 CA VAL A 21 24.313 38.418 0.969 1.00 14.13 C ATOM 105 C VAL A 21 24.013 37.904 2.377 1.00 15.85 C ATOM 106 O VAL A 21 22.899 37.397 2.668 1.00 14.13 O ATOM 107 CB VAL A 21 23.088 39.173 0.380 1.00 14.20 C ATOM 108 CG1 VAL A 21 22.683 40.384 1.210 1.00 14.95 C ATOM 109 CG2 VAL A 21 23.355 39.517 -1.101 1.00 12.87 C ATOM 0 H VAL A 21 23.984 36.678 0.109 1.00 14.63 H new ATOM 0 HA VAL A 21 25.047 39.052 0.970 1.00 14.13 H new ATOM 0 HB VAL A 21 22.319 38.584 0.419 1.00 14.20 H new ATOM 0 HG11 VAL A 21 21.918 40.816 0.800 1.00 14.95 H new ATOM 0 HG12 VAL A 21 22.450 40.098 2.107 1.00 14.95 H new ATOM 0 HG13 VAL A 21 23.423 41.010 1.252 1.00 14.95 H new ATOM 0 HG21 VAL A 21 22.590 39.988 -1.467 1.00 12.87 H new ATOM 0 HG22 VAL A 21 24.142 40.080 -1.166 1.00 12.87 H new ATOM 0 HG23 VAL A 21 23.501 38.699 -1.602 1.00 12.87 H new ATOM 110 N LEU A 22 24.994 38.016 3.255 1.00 14.35 N ATOM 111 CA LEU A 22 24.918 37.308 4.538 1.00 15.71 C ATOM 112 C LEU A 22 25.662 38.146 5.526 1.00 18.77 C ATOM 113 O LEU A 22 26.708 38.743 5.187 1.00 18.94 O ATOM 114 CB LEU A 22 25.535 35.883 4.484 1.00 16.22 C ATOM 115 CG LEU A 22 24.818 34.829 3.618 1.00 11.24 C ATOM 116 CD1 LEU A 22 25.656 33.552 3.529 1.00 13.77 C ATOM 117 CD2 LEU A 22 23.382 34.564 4.212 1.00 11.92 C ATOM 0 H LEU A 22 25.704 38.486 3.139 1.00 14.35 H new ATOM 0 HA LEU A 22 23.987 37.184 4.782 1.00 15.71 H new ATOM 0 HB2 LEU A 22 26.447 35.964 4.163 1.00 16.22 H new ATOM 0 HB3 LEU A 22 25.582 35.543 5.391 1.00 16.22 H new ATOM 0 HG LEU A 22 24.713 35.157 2.711 1.00 11.24 H new ATOM 0 HD11 LEU A 22 25.193 32.898 2.982 1.00 13.77 H new ATOM 0 HD12 LEU A 22 26.516 33.756 3.130 1.00 13.77 H new ATOM 0 HD13 LEU A 22 25.791 33.190 4.419 1.00 13.77 H new ATOM 0 HD21 LEU A 22 22.925 33.901 3.671 1.00 11.92 H new ATOM 0 HD22 LEU A 22 23.463 34.238 5.122 1.00 11.92 H new ATOM 0 HD23 LEU A 22 22.873 35.390 4.209 1.00 11.92 H new ATOM 118 N GLN A 23 25.131 38.181 6.740 1.00 17.64 N ATOM 119 CA GLN A 23 25.741 38.931 7.855 1.00 18.82 C ATOM 120 C GLN A 23 25.016 38.467 9.124 1.00 19.10 C ATOM 121 O GLN A 23 23.901 37.923 9.032 1.00 17.09 O ATOM 122 CB GLN A 23 25.643 40.446 7.617 1.00 18.94 C ATOM 123 CG GLN A 23 24.243 41.007 7.548 1.00 20.79 C ATOM 124 CD GLN A 23 24.232 42.449 7.197 1.00 23.83 C ATOM 125 OE1 GLN A 23 24.844 42.855 6.201 1.00 28.61 O ATOM 126 NE2 GLN A 23 23.490 43.234 7.952 1.00 26.44 N ATOM 0 H GLN A 23 24.404 37.772 6.951 1.00 17.64 H new ATOM 0 HA GLN A 23 26.691 38.756 7.938 1.00 18.82 H new ATOM 0 HB2 GLN A 23 26.121 40.900 8.328 1.00 18.94 H new ATOM 0 HB3 GLN A 23 26.100 40.657 6.788 1.00 18.94 H new ATOM 0 HG2 GLN A 23 23.730 40.512 6.890 1.00 20.79 H new ATOM 0 HG3 GLN A 23 23.804 40.881 8.403 1.00 20.79 H new ATOM 0 HE21 GLN A 23 23.081 42.911 8.636 1.00 26.44 H new ATOM 0 HE22 GLN A 23 23.415 44.069 7.761 1.00 26.44 H new ATOM 127 N PRO A 24 25.631 38.620 10.300 1.00 19.85 N ATOM 128 CA PRO A 24 24.898 38.383 11.566 1.00 21.91 C ATOM 129 C PRO A 24 23.584 39.179 11.726 1.00 21.64 C ATOM 130 O PRO A 24 23.405 40.287 11.165 1.00 20.64 O ATOM 131 CB PRO A 24 25.903 38.865 12.648 1.00 22.28 C ATOM 132 CG PRO A 24 27.258 38.717 12.000 1.00 22.10 C ATOM 133 CD PRO A 24 27.034 39.069 10.521 1.00 21.20 C ATOM 0 HA PRO A 24 24.624 37.454 11.617 1.00 21.91 H new ATOM 0 HB2 PRO A 24 25.732 39.785 12.903 1.00 22.28 H new ATOM 0 HB3 PRO A 24 25.837 38.330 13.454 1.00 22.28 H new ATOM 0 HG2 PRO A 24 27.908 39.310 12.407 1.00 22.10 H new ATOM 0 HG3 PRO A 24 27.597 37.814 12.098 1.00 22.10 H new ATOM 0 HD2 PRO A 24 27.141 40.019 10.354 1.00 21.20 H new ATOM 0 HD3 PRO A 24 27.658 38.607 9.940 1.00 21.20 H new ATOM 134 N GLY A 25 22.661 38.627 12.507 1.00 22.39 N ATOM 135 CA GLY A 25 21.474 39.433 12.899 1.00 20.97 C ATOM 136 C GLY A 25 20.344 39.565 11.882 1.00 20.89 C ATOM 137 O GLY A 25 19.467 40.432 12.020 1.00 21.55 O ATOM 0 H GLY A 25 22.686 37.825 12.816 1.00 22.39 H new ATOM 0 HA2 GLY A 25 21.104 39.047 13.709 1.00 20.97 H new ATOM 0 HA3 GLY A 25 21.780 40.326 13.124 1.00 20.97 H new ATOM 138 N LEU A 26 20.363 38.771 10.804 1.00 18.70 N ATOM 139 CA LEU A 26 19.320 38.892 9.801 1.00 17.71 C ATOM 140 C LEU A 26 18.049 38.194 10.271 1.00 15.47 C ATOM 141 O LEU A 26 18.136 37.199 10.942 1.00 17.94 O ATOM 142 CB LEU A 26 19.732 38.273 8.453 1.00 15.20 C ATOM 143 CG LEU A 26 20.828 39.082 7.676 1.00 16.28 C ATOM 144 CD1 LEU A 26 21.317 38.099 6.571 1.00 18.01 C ATOM 145 CD2 LEU A 26 20.317 40.301 7.067 1.00 19.70 C ATOM 0 H LEU A 26 20.959 38.172 10.644 1.00 18.70 H new ATOM 0 HA LEU A 26 19.167 39.842 9.677 1.00 17.71 H new ATOM 0 HB2 LEU A 26 20.060 37.374 8.609 1.00 15.20 H new ATOM 0 HB3 LEU A 26 18.945 38.195 7.892 1.00 15.20 H new ATOM 0 HG LEU A 26 21.529 39.377 8.278 1.00 16.28 H new ATOM 0 HD11 LEU A 26 22.005 38.527 6.038 1.00 18.01 H new ATOM 0 HD12 LEU A 26 21.680 37.300 6.985 1.00 18.01 H new ATOM 0 HD13 LEU A 26 20.571 37.856 6.000 1.00 18.01 H new ATOM 0 HD21 LEU A 26 21.036 40.757 6.603 1.00 19.70 H new ATOM 0 HD22 LEU A 26 19.615 40.078 6.436 1.00 19.70 H new ATOM 0 HD23 LEU A 26 19.958 40.882 7.756 1.00 19.70 H new ATOM 146 N THR A 27 16.944 38.766 9.850 1.00 15.48 N ATOM 147 CA THR A 27 15.626 38.138 10.093 1.00 16.34 C ATOM 148 C THR A 27 15.373 36.922 9.180 1.00 15.32 C ATOM 149 O THR A 27 14.806 35.878 9.605 1.00 16.24 O ATOM 150 CB THR A 27 14.498 39.177 9.988 1.00 17.05 C ATOM 151 OG1 THR A 27 14.756 40.289 10.890 1.00 18.67 O ATOM 152 CG2 THR A 27 13.217 38.538 10.534 1.00 17.55 C ATOM 0 H THR A 27 16.915 39.512 9.423 1.00 15.48 H new ATOM 0 HA THR A 27 15.634 37.795 11.000 1.00 16.34 H new ATOM 0 HB THR A 27 14.432 39.467 9.065 1.00 17.05 H new ATOM 0 HG1 THR A 27 14.037 40.531 11.250 1.00 18.67 H new ATOM 0 HG21 THR A 27 12.488 39.176 10.479 1.00 17.55 H new ATOM 0 HG22 THR A 27 12.999 37.752 10.010 1.00 17.55 H new ATOM 0 HG23 THR A 27 13.352 38.282 11.460 1.00 17.55 H new ATOM 153 N LEU A 28 15.786 37.011 7.931 1.00 15.20 N ATOM 154 CA LEU A 28 15.357 36.032 6.980 1.00 14.50 C ATOM 155 C LEU A 28 16.441 35.894 5.892 1.00 13.27 C ATOM 156 O LEU A 28 16.813 36.896 5.294 1.00 15.26 O ATOM 157 CB LEU A 28 14.062 36.515 6.304 1.00 14.28 C ATOM 158 CG LEU A 28 13.618 35.818 4.964 1.00 14.57 C ATOM 159 CD1 LEU A 28 13.365 34.316 5.218 1.00 15.57 C ATOM 160 CD2 LEU A 28 12.388 36.508 4.355 1.00 16.78 C ATOM 0 H LEU A 28 16.307 37.623 7.624 1.00 15.20 H new ATOM 0 HA LEU A 28 15.207 35.185 7.428 1.00 14.50 H new ATOM 0 HB2 LEU A 28 13.339 36.416 6.943 1.00 14.28 H new ATOM 0 HB3 LEU A 28 14.156 37.464 6.127 1.00 14.28 H new ATOM 0 HG LEU A 28 14.334 35.903 4.315 1.00 14.57 H new ATOM 0 HD11 LEU A 28 13.092 33.889 4.391 1.00 15.57 H new ATOM 0 HD12 LEU A 28 14.180 33.901 5.542 1.00 15.57 H new ATOM 0 HD13 LEU A 28 12.665 34.213 5.881 1.00 15.57 H new ATOM 0 HD21 LEU A 28 12.138 36.058 3.533 1.00 16.78 H new ATOM 0 HD22 LEU A 28 11.650 36.467 4.983 1.00 16.78 H new ATOM 0 HD23 LEU A 28 12.598 37.436 4.164 1.00 16.78 H new ATOM 161 N VAL A 29 16.868 34.668 5.652 1.00 12.98 N ATOM 162 CA VAL A 29 17.676 34.408 4.456 1.00 13.90 C ATOM 163 C VAL A 29 16.882 33.515 3.500 1.00 12.51 C ATOM 164 O VAL A 29 16.420 32.425 3.884 1.00 12.80 O ATOM 165 CB VAL A 29 18.979 33.713 4.863 1.00 14.40 C ATOM 166 CG1 VAL A 29 19.772 33.173 3.638 1.00 13.88 C ATOM 167 CG2 VAL A 29 19.850 34.631 5.776 1.00 13.75 C ATOM 0 H VAL A 29 16.711 33.984 6.149 1.00 12.98 H new ATOM 0 HA VAL A 29 17.889 35.244 4.012 1.00 13.90 H new ATOM 0 HB VAL A 29 18.736 32.934 5.387 1.00 14.40 H new ATOM 0 HG11 VAL A 29 20.586 32.743 3.943 1.00 13.88 H new ATOM 0 HG12 VAL A 29 19.227 32.530 3.158 1.00 13.88 H new ATOM 0 HG13 VAL A 29 19.998 33.909 3.048 1.00 13.88 H new ATOM 0 HG21 VAL A 29 20.667 34.166 6.018 1.00 13.75 H new ATOM 0 HG22 VAL A 29 20.071 35.446 5.299 1.00 13.75 H new ATOM 0 HG23 VAL A 29 19.354 34.852 6.580 1.00 13.75 H new ATOM 168 N LEU A 30 16.817 33.966 2.254 1.00 12.51 N ATOM 169 CA LEU A 30 16.044 33.305 1.168 1.00 13.13 C ATOM 170 C LEU A 30 17.054 32.533 0.332 1.00 11.98 C ATOM 171 O LEU A 30 18.029 33.122 -0.178 1.00 12.33 O ATOM 172 CB LEU A 30 15.299 34.311 0.327 1.00 13.26 C ATOM 173 CG LEU A 30 14.123 34.923 1.129 1.00 14.40 C ATOM 174 CD1 LEU A 30 13.974 36.418 0.731 1.00 17.67 C ATOM 175 CD2 LEU A 30 12.831 34.000 0.919 1.00 11.10 C ATOM 0 H LEU A 30 17.224 34.678 1.996 1.00 12.51 H new ATOM 0 HA LEU A 30 15.369 32.714 1.537 1.00 13.13 H new ATOM 0 HB2 LEU A 30 15.904 35.014 0.042 1.00 13.26 H new ATOM 0 HB3 LEU A 30 14.962 33.884 -0.476 1.00 13.26 H new ATOM 0 HG LEU A 30 14.275 34.933 2.087 1.00 14.40 H new ATOM 0 HD11 LEU A 30 13.240 36.813 1.227 1.00 17.67 H new ATOM 0 HD12 LEU A 30 14.795 36.891 0.937 1.00 17.67 H new ATOM 0 HD13 LEU A 30 13.794 36.484 -0.220 1.00 17.67 H new ATOM 0 HD21 LEU A 30 12.084 34.370 1.416 1.00 11.10 H new ATOM 0 HD22 LEU A 30 12.607 33.967 -0.024 1.00 11.10 H new ATOM 0 HD23 LEU A 30 13.018 33.103 1.238 1.00 11.10 H new ATOM 176 N VAL A 31 16.856 31.231 0.258 1.00 12.23 N ATOM 177 CA VAL A 31 17.836 30.327 -0.356 1.00 12.91 C ATOM 178 C VAL A 31 17.262 29.661 -1.633 1.00 13.33 C ATOM 179 O VAL A 31 16.221 28.945 -1.555 1.00 13.34 O ATOM 180 CB VAL A 31 18.233 29.214 0.611 1.00 13.80 C ATOM 181 CG1 VAL A 31 19.288 28.287 -0.061 1.00 14.50 C ATOM 182 CG2 VAL A 31 18.740 29.791 1.974 1.00 15.15 C ATOM 0 H VAL A 31 16.153 30.837 0.559 1.00 12.23 H new ATOM 0 HA VAL A 31 18.610 30.867 -0.583 1.00 12.91 H new ATOM 0 HB VAL A 31 17.448 28.682 0.816 1.00 13.80 H new ATOM 0 HG11 VAL A 31 19.538 27.581 0.555 1.00 14.50 H new ATOM 0 HG12 VAL A 31 18.910 27.895 -0.864 1.00 14.50 H new ATOM 0 HG13 VAL A 31 20.074 28.806 -0.294 1.00 14.50 H new ATOM 0 HG21 VAL A 31 18.984 29.061 2.564 1.00 15.15 H new ATOM 0 HG22 VAL A 31 19.515 30.353 1.819 1.00 15.15 H new ATOM 0 HG23 VAL A 31 18.036 30.317 2.385 1.00 15.15 H new ATOM 183 N GLY A 32 17.853 29.924 -2.789 1.00 11.85 N ATOM 184 CA GLY A 32 17.376 29.299 -4.018 1.00 12.65 C ATOM 185 C GLY A 32 18.139 28.018 -4.349 1.00 13.55 C ATOM 186 O GLY A 32 18.984 27.580 -3.577 1.00 12.94 O ATOM 0 H GLY A 32 18.523 30.454 -2.886 1.00 11.85 H new ATOM 0 HA2 GLY A 32 16.431 29.097 -3.930 1.00 12.65 H new ATOM 0 HA3 GLY A 32 17.465 29.926 -4.753 1.00 12.65 H new ATOM 187 N THR A 33 17.872 27.424 -5.511 1.00 14.98 N ATOM 188 CA THR A 33 18.676 26.243 -5.945 1.00 15.85 C ATOM 189 C THR A 33 20.060 26.699 -6.443 1.00 16.02 C ATOM 190 O THR A 33 21.121 26.275 -5.938 1.00 17.95 O ATOM 191 CB THR A 33 17.917 25.555 -7.088 1.00 18.27 C ATOM 192 OG1 THR A 33 17.417 26.560 -7.967 1.00 16.94 O ATOM 193 CG2 THR A 33 16.612 24.852 -6.546 1.00 17.36 C ATOM 0 H THR A 33 17.254 27.668 -6.057 1.00 14.98 H new ATOM 0 HA THR A 33 18.804 25.633 -5.202 1.00 15.85 H new ATOM 0 HB THR A 33 18.524 24.926 -7.507 1.00 18.27 H new ATOM 0 HG1 THR A 33 16.620 26.734 -7.769 1.00 16.94 H new ATOM 0 HG21 THR A 33 16.146 24.423 -7.281 1.00 17.36 H new ATOM 0 HG22 THR A 33 16.854 24.185 -5.884 1.00 17.36 H new ATOM 0 HG23 THR A 33 16.032 25.515 -6.139 1.00 17.36 H new ATOM 194 N ALA A 34 20.043 27.578 -7.442 1.00 16.34 N ATOM 195 CA ALA A 34 21.225 28.054 -8.147 1.00 17.00 C ATOM 196 C ALA A 34 20.791 29.238 -8.971 1.00 16.43 C ATOM 197 O ALA A 34 19.572 29.356 -9.322 1.00 16.12 O ATOM 198 CB ALA A 34 21.792 26.999 -9.075 1.00 16.98 C ATOM 0 H ALA A 34 19.314 27.925 -7.737 1.00 16.34 H new ATOM 0 HA ALA A 34 21.916 28.280 -7.504 1.00 17.00 H new ATOM 0 HB1 ALA A 34 22.576 27.351 -9.525 1.00 16.98 H new ATOM 0 HB2 ALA A 34 22.040 26.215 -8.561 1.00 16.98 H new ATOM 0 HB3 ALA A 34 21.124 26.754 -9.734 1.00 16.98 H new ATOM 199 N PRO A 35 21.727 30.102 -9.294 1.00 15.34 N ATOM 200 CA PRO A 35 21.376 31.250 -10.180 1.00 15.30 C ATOM 201 C PRO A 35 20.999 30.706 -11.562 1.00 14.20 C ATOM 202 O PRO A 35 21.658 29.765 -12.072 1.00 15.02 O ATOM 203 CB PRO A 35 22.670 32.072 -10.233 1.00 14.07 C ATOM 204 CG PRO A 35 23.797 30.899 -10.065 1.00 13.28 C ATOM 205 CD PRO A 35 23.184 30.079 -8.936 1.00 15.58 C ATOM 0 HA PRO A 35 20.625 31.781 -9.871 1.00 15.30 H new ATOM 0 HB2 PRO A 35 22.764 32.553 -11.070 1.00 14.07 H new ATOM 0 HB3 PRO A 35 22.716 32.729 -9.521 1.00 14.07 H new ATOM 0 HG2 PRO A 35 23.912 30.380 -10.876 1.00 13.28 H new ATOM 0 HG3 PRO A 35 24.668 31.256 -9.830 1.00 13.28 H new ATOM 0 HD2 PRO A 35 23.538 29.176 -8.909 1.00 15.58 H new ATOM 0 HD3 PRO A 35 23.351 30.475 -8.067 1.00 15.58 H new ATOM 206 N SER A 36 19.878 31.159 -12.108 1.00 14.56 N ATOM 207 CA SER A 36 19.658 30.977 -13.563 1.00 15.12 C ATOM 208 C SER A 36 20.827 31.548 -14.378 1.00 14.76 C ATOM 209 O SER A 36 21.628 32.386 -13.915 1.00 15.10 O ATOM 210 CB SER A 36 18.321 31.647 -14.044 1.00 13.84 C ATOM 211 OG SER A 36 18.512 33.064 -14.018 1.00 16.84 O ATOM 0 H SER A 36 19.247 31.561 -11.684 1.00 14.56 H new ATOM 0 HA SER A 36 19.597 30.021 -13.713 1.00 15.12 H new ATOM 0 HB2 SER A 36 18.094 31.350 -14.939 1.00 13.84 H new ATOM 0 HB3 SER A 36 17.585 31.392 -13.466 1.00 13.84 H new ATOM 0 HG SER A 36 18.659 33.313 -13.229 1.00 16.84 H new ATOM 212 N GLY A 37 20.900 31.167 -15.667 1.00 16.76 N ATOM 213 CA GLY A 37 21.910 31.796 -16.537 1.00 15.65 C ATOM 214 C GLY A 37 21.810 33.269 -16.598 1.00 15.25 C ATOM 215 O GLY A 37 22.804 33.996 -16.545 1.00 17.64 O ATOM 0 H GLY A 37 20.400 30.576 -16.041 1.00 16.76 H new ATOM 0 HA2 GLY A 37 22.794 31.553 -16.220 1.00 15.65 H new ATOM 0 HA3 GLY A 37 21.821 31.437 -17.434 1.00 15.65 H new ATOM 216 N ILE A 38 20.583 33.779 -16.692 1.00 15.16 N ATOM 217 CA ILE A 38 20.426 35.217 -16.726 1.00 15.91 C ATOM 218 C ILE A 38 20.937 35.859 -15.411 1.00 15.74 C ATOM 219 O ILE A 38 21.612 36.891 -15.444 1.00 17.30 O ATOM 220 CB ILE A 38 18.866 35.561 -16.950 1.00 15.65 C ATOM 221 CG1 ILE A 38 18.471 35.196 -18.412 1.00 18.02 C ATOM 222 CG2 ILE A 38 18.552 37.040 -16.638 1.00 17.38 C ATOM 223 CD1 ILE A 38 16.875 35.228 -18.562 1.00 18.13 C ATOM 0 H ILE A 38 19.856 33.322 -16.736 1.00 15.16 H new ATOM 0 HA ILE A 38 20.952 35.581 -17.455 1.00 15.91 H new ATOM 0 HB ILE A 38 18.338 35.033 -16.331 1.00 15.65 H new ATOM 0 HG12 ILE A 38 18.876 35.822 -19.032 1.00 18.02 H new ATOM 0 HG13 ILE A 38 18.809 34.315 -18.638 1.00 18.02 H new ATOM 0 HG21 ILE A 38 17.608 37.208 -16.784 1.00 17.38 H new ATOM 0 HG22 ILE A 38 18.775 37.230 -15.713 1.00 17.38 H new ATOM 0 HG23 ILE A 38 19.076 37.612 -17.221 1.00 17.38 H new ATOM 0 HD11 ILE A 38 16.631 35.001 -19.473 1.00 18.13 H new ATOM 0 HD12 ILE A 38 16.479 34.586 -17.952 1.00 18.13 H new ATOM 0 HD13 ILE A 38 16.548 36.117 -18.352 1.00 18.13 H new ATOM 224 N SER A 39 20.596 35.259 -14.273 1.00 14.82 N ATOM 225 CA SER A 39 21.057 35.759 -12.958 1.00 14.10 C ATOM 226 C SER A 39 22.609 35.764 -12.845 1.00 14.26 C ATOM 227 O SER A 39 23.188 36.730 -12.399 1.00 16.53 O ATOM 228 CB SER A 39 20.425 34.949 -11.839 1.00 14.35 C ATOM 229 OG SER A 39 19.000 35.204 -11.836 1.00 18.88 O ATOM 0 H SER A 39 20.098 34.559 -14.231 1.00 14.82 H new ATOM 0 HA SER A 39 20.770 36.682 -12.874 1.00 14.10 H new ATOM 0 HB2 SER A 39 20.598 34.003 -11.968 1.00 14.35 H new ATOM 0 HB3 SER A 39 20.813 35.194 -10.985 1.00 14.35 H new ATOM 0 HG SER A 39 18.601 34.564 -11.465 1.00 18.88 H new ATOM 230 N ALA A 40 23.203 34.679 -13.289 1.00 15.37 N ATOM 231 CA ALA A 40 24.680 34.533 -13.267 1.00 18.52 C ATOM 232 C ALA A 40 25.326 35.604 -14.163 1.00 19.12 C ATOM 233 O ALA A 40 26.278 36.254 -13.772 1.00 18.66 O ATOM 234 CB ALA A 40 25.062 33.184 -13.717 1.00 17.61 C ATOM 0 H ALA A 40 22.784 34.001 -13.613 1.00 15.37 H new ATOM 0 HA ALA A 40 24.998 34.655 -12.359 1.00 18.52 H new ATOM 0 HB1 ALA A 40 26.028 33.098 -13.699 1.00 17.61 H new ATOM 0 HB2 ALA A 40 24.668 32.522 -13.127 1.00 17.61 H new ATOM 0 HB3 ALA A 40 24.742 33.042 -14.621 1.00 17.61 H new ATOM 235 N ARG A 41 24.803 35.780 -15.385 1.00 21.51 N ATOM 236 CA ARG A 41 25.324 36.814 -16.278 1.00 22.67 C ATOM 237 C ARG A 41 25.160 38.207 -15.765 1.00 22.52 C ATOM 238 O ARG A 41 26.097 38.994 -15.865 1.00 24.33 O ATOM 239 CB ARG A 41 24.716 36.681 -17.662 1.00 22.69 C ATOM 240 CG ARG A 41 25.199 35.413 -18.301 1.00 26.98 C ATOM 241 CD ARG A 41 24.950 35.362 -19.782 1.00 34.80 C ATOM 242 NE ARG A 41 23.557 35.676 -20.106 1.00 38.79 N ATOM 243 CZ ARG A 41 22.554 34.805 -20.049 1.00 37.44 C ATOM 244 NH1 ARG A 41 22.764 33.545 -19.669 1.00 34.27 N ATOM 245 NH2 ARG A 41 21.343 35.199 -20.392 1.00 36.76 N ATOM 0 H ARG A 41 24.155 35.316 -15.708 1.00 21.51 H new ATOM 0 HA ARG A 41 26.281 36.662 -16.325 1.00 22.67 H new ATOM 0 HB2 ARG A 41 23.748 36.676 -17.601 1.00 22.69 H new ATOM 0 HB3 ARG A 41 24.962 37.444 -18.208 1.00 22.69 H new ATOM 0 HG2 ARG A 41 26.150 35.317 -18.136 1.00 26.98 H new ATOM 0 HG3 ARG A 41 24.760 34.658 -17.879 1.00 26.98 H new ATOM 0 HD2 ARG A 41 25.537 35.990 -20.231 1.00 34.80 H new ATOM 0 HD3 ARG A 41 25.170 34.479 -20.117 1.00 34.80 H new ATOM 0 HE ARG A 41 23.375 36.480 -20.350 1.00 38.79 H new ATOM 0 HH11 ARG A 41 23.556 33.286 -19.457 1.00 34.27 H new ATOM 0 HH12 ARG A 41 22.107 32.991 -19.636 1.00 34.27 H new ATOM 0 HH21 ARG A 41 21.211 36.009 -20.648 1.00 36.76 H new ATOM 0 HH22 ARG A 41 20.685 34.646 -20.360 1.00 36.76 H new ATOM 246 N ALA A 42 24.006 38.505 -15.144 1.00 20.78 N ATOM 247 CA ALA A 42 23.764 39.800 -14.515 1.00 20.09 C ATOM 248 C ALA A 42 24.512 39.954 -13.157 1.00 17.64 C ATOM 249 O ALA A 42 24.523 41.045 -12.624 1.00 18.71 O ATOM 250 CB ALA A 42 22.268 40.004 -14.294 1.00 20.32 C ATOM 0 H ALA A 42 23.347 37.957 -15.080 1.00 20.78 H new ATOM 0 HA ALA A 42 24.109 40.476 -15.119 1.00 20.09 H new ATOM 0 HB1 ALA A 42 22.117 40.866 -13.876 1.00 20.32 H new ATOM 0 HB2 ALA A 42 21.808 39.974 -15.147 1.00 20.32 H new ATOM 0 HB3 ALA A 42 21.927 39.302 -13.718 1.00 20.32 H new ATOM 251 N ARG A 43 25.096 38.870 -12.634 1.00 18.48 N ATOM 252 CA ARG A 43 25.696 38.879 -11.303 1.00 19.47 C ATOM 253 C ARG A 43 24.638 39.414 -10.306 1.00 17.90 C ATOM 254 O ARG A 43 24.880 40.345 -9.547 1.00 19.39 O ATOM 255 CB ARG A 43 26.999 39.746 -11.254 1.00 18.48 C ATOM 256 CG ARG A 43 28.159 38.995 -11.954 1.00 25.38 C ATOM 257 CD ARG A 43 29.458 39.774 -11.849 1.00 26.53 C ATOM 258 NE ARG A 43 30.449 39.363 -12.846 1.00 38.73 N ATOM 259 CZ ARG A 43 31.595 40.021 -13.107 1.00 40.78 C ATOM 260 NH1 ARG A 43 31.924 41.125 -12.449 1.00 40.66 N ATOM 261 NH2 ARG A 43 32.427 39.565 -14.044 1.00 45.79 N ATOM 0 H ARG A 43 25.153 38.115 -13.042 1.00 18.48 H new ATOM 0 HA ARG A 43 25.961 37.977 -11.064 1.00 19.47 H new ATOM 0 HB2 ARG A 43 26.846 40.599 -11.690 1.00 18.48 H new ATOM 0 HB3 ARG A 43 27.236 39.936 -10.333 1.00 18.48 H new ATOM 0 HG2 ARG A 43 28.270 38.119 -11.552 1.00 25.38 H new ATOM 0 HG3 ARG A 43 27.939 38.852 -12.888 1.00 25.38 H new ATOM 0 HD2 ARG A 43 29.272 40.720 -11.955 1.00 26.53 H new ATOM 0 HD3 ARG A 43 29.830 39.656 -10.961 1.00 26.53 H new ATOM 0 HE ARG A 43 30.287 38.649 -13.298 1.00 38.73 H new ATOM 0 HH11 ARG A 43 31.401 41.435 -11.841 1.00 40.66 H new ATOM 0 HH12 ARG A 43 32.660 41.530 -12.631 1.00 40.66 H new ATOM 0 HH21 ARG A 43 32.232 38.851 -14.482 1.00 45.79 H new ATOM 0 HH22 ARG A 43 33.159 39.985 -14.211 1.00 45.79 H new ATOM 262 N ALA A 44 23.447 38.818 -10.316 1.00 16.46 N ATOM 263 CA ALA A 44 22.366 39.255 -9.407 1.00 14.58 C ATOM 264 C ALA A 44 21.527 38.008 -9.019 1.00 15.09 C ATOM 265 O ALA A 44 21.962 36.853 -9.264 1.00 14.58 O ATOM 266 CB ALA A 44 21.508 40.362 -10.107 1.00 15.31 C ATOM 0 H ALA A 44 23.238 38.164 -10.834 1.00 16.46 H new ATOM 0 HA ALA A 44 22.723 39.647 -8.595 1.00 14.58 H new ATOM 0 HB1 ALA A 44 20.799 40.648 -9.510 1.00 15.31 H new ATOM 0 HB2 ALA A 44 22.073 41.120 -10.324 1.00 15.31 H new ATOM 0 HB3 ALA A 44 21.120 40.005 -10.921 1.00 15.31 H new ATOM 267 N TYR A 45 20.348 38.226 -8.412 1.00 13.08 N ATOM 268 CA TYR A 45 19.464 37.116 -8.027 1.00 12.23 C ATOM 269 C TYR A 45 18.149 37.312 -8.724 1.00 11.98 C ATOM 270 O TYR A 45 17.733 38.468 -8.841 1.00 14.16 O ATOM 271 CB TYR A 45 19.240 37.098 -6.514 1.00 11.85 C ATOM 272 CG TYR A 45 20.412 36.528 -5.708 1.00 9.27 C ATOM 273 CD1 TYR A 45 20.374 35.220 -5.180 1.00 10.61 C ATOM 274 CD2 TYR A 45 21.560 37.313 -5.498 1.00 12.14 C ATOM 275 CE1 TYR A 45 21.491 34.717 -4.401 1.00 12.93 C ATOM 276 CE2 TYR A 45 22.643 36.821 -4.763 1.00 13.55 C ATOM 277 CZ TYR A 45 22.590 35.525 -4.221 1.00 10.27 C ATOM 278 OH TYR A 45 23.652 35.047 -3.455 1.00 12.60 O ATOM 0 H TYR A 45 20.045 39.007 -8.216 1.00 13.08 H new ATOM 0 HA TYR A 45 19.871 36.273 -8.281 1.00 12.23 H new ATOM 0 HB2 TYR A 45 19.065 38.003 -6.213 1.00 11.85 H new ATOM 0 HB3 TYR A 45 18.445 36.576 -6.322 1.00 11.85 H new ATOM 0 HD1 TYR A 45 19.632 34.679 -5.331 1.00 10.61 H new ATOM 0 HD2 TYR A 45 21.599 38.172 -5.853 1.00 12.14 H new ATOM 0 HE1 TYR A 45 21.464 33.864 -4.030 1.00 12.93 H new ATOM 0 HE2 TYR A 45 23.397 37.350 -4.633 1.00 13.55 H new ATOM 0 HH TYR A 45 24.279 35.605 -3.466 1.00 12.60 H new ATOM 279 N TYR A 46 17.509 36.188 -9.064 1.00 13.37 N ATOM 280 CA TYR A 46 16.145 36.124 -9.658 1.00 14.39 C ATOM 281 C TYR A 46 15.998 37.218 -10.708 1.00 16.12 C ATOM 282 O TYR A 46 15.031 38.041 -10.656 1.00 16.06 O ATOM 283 CB TYR A 46 15.105 36.265 -8.528 1.00 14.27 C ATOM 284 CG TYR A 46 15.302 35.240 -7.450 1.00 13.27 C ATOM 285 CD1 TYR A 46 14.887 33.889 -7.623 1.00 12.92 C ATOM 286 CD2 TYR A 46 15.921 35.594 -6.257 1.00 15.39 C ATOM 287 CE1 TYR A 46 15.112 32.946 -6.630 1.00 12.53 C ATOM 288 CE2 TYR A 46 16.149 34.667 -5.236 1.00 13.48 C ATOM 289 CZ TYR A 46 15.759 33.324 -5.416 1.00 11.47 C ATOM 290 OH TYR A 46 15.967 32.370 -4.460 1.00 12.78 O ATOM 0 H TYR A 46 17.861 35.411 -8.955 1.00 13.37 H new ATOM 0 HA TYR A 46 16.000 35.273 -10.100 1.00 14.39 H new ATOM 0 HB2 TYR A 46 15.165 37.153 -8.143 1.00 14.27 H new ATOM 0 HB3 TYR A 46 14.213 36.176 -8.898 1.00 14.27 H new ATOM 0 HD1 TYR A 46 14.461 33.636 -8.410 1.00 12.92 H new ATOM 0 HD2 TYR A 46 16.192 36.475 -6.134 1.00 15.39 H new ATOM 0 HE1 TYR A 46 14.840 32.066 -6.756 1.00 12.53 H new ATOM 0 HE2 TYR A 46 16.555 34.934 -4.443 1.00 13.48 H new ATOM 0 HH TYR A 46 16.709 32.501 -4.090 1.00 12.78 H new ATOM 291 N ALA A 47 16.977 37.248 -11.639 1.00 15.72 N ATOM 292 CA ALA A 47 17.075 38.303 -12.629 1.00 17.54 C ATOM 293 C ALA A 47 16.245 38.065 -13.908 1.00 19.18 C ATOM 294 O ALA A 47 16.123 38.983 -14.732 1.00 20.41 O ATOM 295 CB ALA A 47 18.575 38.607 -12.992 1.00 16.26 C ATOM 0 H ALA A 47 17.593 36.651 -11.700 1.00 15.72 H new ATOM 0 HA ALA A 47 16.682 39.081 -12.203 1.00 17.54 H new ATOM 0 HB1 ALA A 47 18.611 39.315 -13.654 1.00 16.26 H new ATOM 0 HB2 ALA A 47 19.051 38.887 -12.194 1.00 16.26 H new ATOM 0 HB3 ALA A 47 18.990 37.807 -13.351 1.00 16.26 H new ATOM 296 N ASN A 48 15.746 36.846 -14.103 1.00 19.34 N ATOM 297 CA ASN A 48 14.857 36.550 -15.238 1.00 19.66 C ATOM 298 C ASN A 48 13.634 37.425 -15.027 1.00 21.18 C ATOM 299 O ASN A 48 13.001 37.409 -13.974 1.00 19.49 O ATOM 300 CB ASN A 48 14.483 35.081 -15.267 1.00 19.46 C ATOM 301 CG ASN A 48 13.493 34.749 -16.380 1.00 19.38 C ATOM 302 OD1 ASN A 48 12.615 35.556 -16.694 1.00 24.85 O ATOM 303 ND2 ASN A 48 13.634 33.583 -16.967 1.00 19.94 N ATOM 0 H ASN A 48 15.907 36.173 -13.592 1.00 19.34 H new ATOM 0 HA ASN A 48 15.285 36.733 -16.089 1.00 19.66 H new ATOM 0 HB2 ASN A 48 15.286 34.549 -15.383 1.00 19.46 H new ATOM 0 HB3 ASN A 48 14.099 34.832 -14.412 1.00 19.46 H new ATOM 0 HD21 ASN A 48 13.100 33.353 -17.601 1.00 19.94 H new ATOM 0 HD22 ASN A 48 14.260 33.049 -16.718 1.00 19.94 H new ATOM 304 N PRO A 49 13.345 38.263 -16.010 1.00 23.43 N ATOM 305 CA PRO A 49 12.321 39.278 -15.821 1.00 23.66 C ATOM 306 C PRO A 49 10.923 38.681 -15.575 1.00 21.59 C ATOM 307 O PRO A 49 10.080 39.385 -15.062 1.00 23.81 O ATOM 308 CB PRO A 49 12.324 40.045 -17.145 1.00 24.62 C ATOM 309 CG PRO A 49 13.621 39.717 -17.784 1.00 26.97 C ATOM 310 CD PRO A 49 13.989 38.311 -17.343 1.00 24.04 C ATOM 0 HA PRO A 49 12.509 39.823 -15.041 1.00 23.66 H new ATOM 0 HB2 PRO A 49 11.580 39.777 -17.706 1.00 24.62 H new ATOM 0 HB3 PRO A 49 12.238 41.000 -16.997 1.00 24.62 H new ATOM 0 HG2 PRO A 49 13.550 39.766 -18.750 1.00 26.97 H new ATOM 0 HG3 PRO A 49 14.305 40.351 -17.517 1.00 26.97 H new ATOM 0 HD2 PRO A 49 13.641 37.634 -17.944 1.00 24.04 H new ATOM 0 HD3 PRO A 49 14.949 38.180 -17.293 1.00 24.04 H new ATOM 311 N GLU A 50 10.686 37.417 -15.933 1.00 22.19 N ATOM 312 CA GLU A 50 9.386 36.737 -15.675 1.00 21.63 C ATOM 313 C GLU A 50 9.368 35.978 -14.327 1.00 21.39 C ATOM 314 O GLU A 50 8.356 35.350 -13.956 1.00 21.72 O ATOM 315 CB GLU A 50 9.057 35.778 -16.806 1.00 24.05 C ATOM 316 CG GLU A 50 8.900 36.501 -18.136 1.00 26.03 C ATOM 317 CD GLU A 50 8.440 35.574 -19.235 1.00 27.69 C ATOM 318 OE1 GLU A 50 9.190 34.627 -19.571 1.00 24.96 O ATOM 319 OE2 GLU A 50 7.317 35.789 -19.762 1.00 30.00 O ATOM 0 H GLU A 50 11.265 36.922 -16.332 1.00 22.19 H new ATOM 0 HA GLU A 50 8.712 37.433 -15.626 1.00 21.63 H new ATOM 0 HB2 GLU A 50 9.760 35.113 -16.881 1.00 24.05 H new ATOM 0 HB3 GLU A 50 8.238 35.302 -16.598 1.00 24.05 H new ATOM 0 HG2 GLU A 50 8.261 37.224 -18.036 1.00 26.03 H new ATOM 0 HG3 GLU A 50 9.747 36.903 -18.386 1.00 26.03 H new ATOM 320 N ASN A 51 10.519 35.938 -13.639 1.00 18.30 N ATOM 321 CA ASN A 51 10.573 35.334 -12.327 1.00 16.62 C ATOM 322 C ASN A 51 9.850 36.279 -11.368 1.00 15.92 C ATOM 323 O ASN A 51 10.136 37.476 -11.379 1.00 17.34 O ATOM 324 CB ASN A 51 12.051 35.119 -11.858 1.00 14.78 C ATOM 325 CG ASN A 51 12.098 34.273 -10.605 1.00 15.46 C ATOM 326 OD1 ASN A 51 11.571 34.688 -9.565 1.00 15.57 O ATOM 327 ND2 ASN A 51 12.667 33.061 -10.692 1.00 15.35 N ATOM 0 H ASN A 51 11.266 36.255 -13.922 1.00 18.30 H new ATOM 0 HA ASN A 51 10.152 34.461 -12.346 1.00 16.62 H new ATOM 0 HB2 ASN A 51 12.559 34.689 -12.563 1.00 14.78 H new ATOM 0 HB3 ASN A 51 12.470 35.978 -11.690 1.00 14.78 H new ATOM 0 HD21 ASN A 51 12.675 32.539 -10.008 1.00 15.35 H new ATOM 0 HD22 ASN A 51 13.024 32.806 -11.432 1.00 15.35 H new ATOM 328 N LYS A 52 8.926 35.758 -10.540 1.00 17.84 N ATOM 329 CA LYS A 52 8.038 36.608 -9.698 1.00 18.32 C ATOM 330 C LYS A 52 8.682 37.026 -8.357 1.00 17.24 C ATOM 331 O LYS A 52 8.050 37.690 -7.549 1.00 15.13 O ATOM 332 CB LYS A 52 6.721 35.859 -9.327 1.00 20.12 C ATOM 333 CG LYS A 52 5.950 35.325 -10.504 1.00 23.95 C ATOM 334 CD LYS A 52 4.559 34.773 -10.027 1.00 23.61 C ATOM 335 CE LYS A 52 4.555 33.285 -10.246 1.00 30.32 C ATOM 336 NZ LYS A 52 4.567 32.955 -11.679 1.00 35.80 N ATOM 0 H LYS A 52 8.793 34.913 -10.447 1.00 17.84 H new ATOM 0 HA LYS A 52 7.869 37.393 -10.242 1.00 18.32 H new ATOM 0 HB2 LYS A 52 6.938 35.121 -8.736 1.00 20.12 H new ATOM 0 HB3 LYS A 52 6.149 36.463 -8.828 1.00 20.12 H new ATOM 0 HG2 LYS A 52 5.820 36.027 -11.161 1.00 23.95 H new ATOM 0 HG3 LYS A 52 6.455 34.620 -10.938 1.00 23.95 H new ATOM 0 HD2 LYS A 52 4.415 34.979 -9.090 1.00 23.61 H new ATOM 0 HD3 LYS A 52 3.839 35.192 -10.524 1.00 23.61 H new ATOM 0 HE2 LYS A 52 5.329 32.891 -9.815 1.00 30.32 H new ATOM 0 HE3 LYS A 52 3.770 32.897 -9.829 1.00 30.32 H new ATOM 0 HZ1 LYS A 52 4.906 32.140 -11.793 1.00 35.80 H new ATOM 0 HZ2 LYS A 52 3.736 32.977 -11.996 1.00 35.80 H new ATOM 0 HZ3 LYS A 52 5.067 33.548 -12.116 1.00 35.80 H new ATOM 337 N PHE A 53 9.958 36.630 -8.093 1.00 13.37 N ATOM 338 CA PHE A 53 10.512 36.842 -6.770 1.00 12.89 C ATOM 339 C PHE A 53 10.462 38.320 -6.298 1.00 12.88 C ATOM 340 O PHE A 53 9.975 38.571 -5.171 1.00 14.80 O ATOM 341 CB PHE A 53 11.984 36.401 -6.804 1.00 13.06 C ATOM 342 CG PHE A 53 12.687 36.530 -5.473 1.00 12.89 C ATOM 343 CD1 PHE A 53 12.608 35.542 -4.498 1.00 13.34 C ATOM 344 CD2 PHE A 53 13.546 37.635 -5.243 1.00 14.16 C ATOM 345 CE1 PHE A 53 13.325 35.676 -3.283 1.00 14.47 C ATOM 346 CE2 PHE A 53 14.232 37.753 -4.034 1.00 13.51 C ATOM 347 CZ PHE A 53 14.119 36.806 -3.074 1.00 11.99 C ATOM 0 H PHE A 53 10.485 36.252 -8.658 1.00 13.37 H new ATOM 0 HA PHE A 53 9.975 36.329 -6.146 1.00 12.89 H new ATOM 0 HB2 PHE A 53 12.030 35.477 -7.097 1.00 13.06 H new ATOM 0 HB3 PHE A 53 12.457 36.932 -7.464 1.00 13.06 H new ATOM 0 HD1 PHE A 53 12.082 34.789 -4.644 1.00 13.34 H new ATOM 0 HD2 PHE A 53 13.652 38.284 -5.901 1.00 14.16 H new ATOM 0 HE1 PHE A 53 13.267 35.017 -2.630 1.00 14.47 H new ATOM 0 HE2 PHE A 53 14.775 38.493 -3.886 1.00 13.51 H new ATOM 0 HZ PHE A 53 14.573 36.908 -2.269 1.00 11.99 H new ATOM 348 N TRP A 54 11.025 39.256 -7.063 1.00 15.16 N ATOM 349 CA TRP A 54 11.128 40.684 -6.645 1.00 15.78 C ATOM 350 C TRP A 54 9.734 41.336 -6.441 1.00 16.79 C ATOM 351 O TRP A 54 9.494 41.948 -5.397 1.00 18.25 O ATOM 352 CB TRP A 54 12.007 41.493 -7.554 1.00 15.68 C ATOM 353 CG TRP A 54 13.422 40.987 -7.507 1.00 13.10 C ATOM 354 CD1 TRP A 54 14.069 40.346 -8.497 1.00 16.35 C ATOM 355 CD2 TRP A 54 14.335 41.021 -6.365 1.00 17.97 C ATOM 356 NE1 TRP A 54 15.352 40.001 -8.093 1.00 13.80 N ATOM 357 CE2 TRP A 54 15.532 40.353 -6.781 1.00 14.62 C ATOM 358 CE3 TRP A 54 14.252 41.507 -5.043 1.00 16.36 C ATOM 359 CZ2 TRP A 54 16.665 40.256 -5.962 1.00 16.47 C ATOM 360 CZ3 TRP A 54 15.377 41.376 -4.201 1.00 17.74 C ATOM 361 CH2 TRP A 54 16.566 40.747 -4.674 1.00 13.10 C ATOM 0 H TRP A 54 11.361 39.095 -7.838 1.00 15.16 H new ATOM 0 HA TRP A 54 11.566 40.682 -5.779 1.00 15.78 H new ATOM 0 HB2 TRP A 54 11.671 41.446 -8.463 1.00 15.68 H new ATOM 0 HB3 TRP A 54 11.983 42.426 -7.290 1.00 15.68 H new ATOM 0 HD1 TRP A 54 13.708 40.160 -9.334 1.00 16.35 H new ATOM 0 HE1 TRP A 54 15.944 39.624 -8.590 1.00 13.80 H new ATOM 0 HE3 TRP A 54 13.471 41.906 -4.733 1.00 16.36 H new ATOM 0 HZ2 TRP A 54 17.454 39.875 -6.274 1.00 16.47 H new ATOM 0 HZ3 TRP A 54 15.343 41.702 -3.331 1.00 17.74 H new ATOM 0 HH2 TRP A 54 17.294 40.665 -4.101 1.00 13.10 H new ATOM 362 N ARG A 55 8.833 41.030 -7.362 1.00 17.92 N ATOM 363 CA ARG A 55 7.388 41.439 -7.218 1.00 20.58 C ATOM 364 C ARG A 55 6.822 40.872 -5.918 1.00 19.41 C ATOM 365 O ARG A 55 6.165 41.594 -5.149 1.00 19.76 O ATOM 366 CB ARG A 55 6.609 40.872 -8.388 1.00 20.14 C ATOM 367 CG ARG A 55 5.095 41.145 -8.458 1.00 27.35 C ATOM 368 CD ARG A 55 4.570 40.606 -9.845 1.00 28.30 C ATOM 369 NE ARG A 55 5.746 40.403 -10.730 1.00 38.77 N ATOM 370 CZ ARG A 55 5.886 39.432 -11.640 1.00 43.43 C ATOM 371 NH1 ARG A 55 4.894 38.560 -11.871 1.00 41.83 N ATOM 372 NH2 ARG A 55 7.018 39.347 -12.351 1.00 43.42 N ATOM 0 H ARG A 55 9.009 40.591 -8.080 1.00 17.92 H new ATOM 0 HA ARG A 55 7.318 42.406 -7.203 1.00 20.58 H new ATOM 0 HB2 ARG A 55 7.009 41.213 -9.203 1.00 20.14 H new ATOM 0 HB3 ARG A 55 6.737 39.910 -8.390 1.00 20.14 H new ATOM 0 HG2 ARG A 55 4.636 40.704 -7.726 1.00 27.35 H new ATOM 0 HG3 ARG A 55 4.917 42.095 -8.373 1.00 27.35 H new ATOM 0 HD2 ARG A 55 4.087 39.773 -9.725 1.00 28.30 H new ATOM 0 HD3 ARG A 55 3.951 41.238 -10.243 1.00 28.30 H new ATOM 0 HE ARG A 55 6.396 40.960 -10.650 1.00 38.77 H new ATOM 0 HH11 ARG A 55 4.157 38.621 -11.432 1.00 41.83 H new ATOM 0 HH12 ARG A 55 4.995 37.940 -12.458 1.00 41.83 H new ATOM 0 HH21 ARG A 55 7.651 39.915 -12.222 1.00 43.42 H new ATOM 0 HH22 ARG A 55 7.112 38.724 -12.937 1.00 43.42 H new ATOM 373 N THR A 56 7.039 39.572 -5.672 1.00 17.88 N ATOM 374 CA THR A 56 6.487 38.911 -4.524 1.00 18.46 C ATOM 375 C THR A 56 6.992 39.508 -3.217 1.00 18.22 C ATOM 376 O THR A 56 6.215 39.813 -2.324 1.00 19.10 O ATOM 377 CB THR A 56 6.702 37.352 -4.600 1.00 17.56 C ATOM 378 OG1 THR A 56 6.078 36.838 -5.807 1.00 20.47 O ATOM 379 CG2 THR A 56 6.094 36.614 -3.396 1.00 19.41 C ATOM 0 H THR A 56 7.514 39.063 -6.177 1.00 17.88 H new ATOM 0 HA THR A 56 5.529 39.065 -4.535 1.00 18.46 H new ATOM 0 HB THR A 56 7.660 37.197 -4.600 1.00 17.56 H new ATOM 0 HG1 THR A 56 6.562 37.016 -6.470 1.00 20.47 H new ATOM 0 HG21 THR A 56 6.251 35.661 -3.487 1.00 19.41 H new ATOM 0 HG22 THR A 56 6.508 36.933 -2.578 1.00 19.41 H new ATOM 0 HG23 THR A 56 5.139 36.782 -3.362 1.00 19.41 H new ATOM 380 N LEU A 57 8.305 39.740 -3.091 1.00 17.87 N ATOM 381 CA LEU A 57 8.753 40.406 -1.865 1.00 18.56 C ATOM 382 C LEU A 57 8.028 41.739 -1.600 1.00 17.50 C ATOM 383 O LEU A 57 7.770 42.038 -0.441 1.00 19.25 O ATOM 384 CB LEU A 57 10.264 40.707 -1.928 1.00 17.29 C ATOM 385 CG LEU A 57 11.262 39.542 -2.008 1.00 20.51 C ATOM 386 CD1 LEU A 57 12.670 39.956 -1.635 1.00 16.67 C ATOM 387 CD2 LEU A 57 10.950 38.207 -1.475 1.00 17.89 C ATOM 0 H LEU A 57 8.915 39.535 -3.662 1.00 17.87 H new ATOM 0 HA LEU A 57 8.546 39.788 -1.146 1.00 18.56 H new ATOM 0 HB2 LEU A 57 10.416 41.274 -2.700 1.00 17.29 H new ATOM 0 HB3 LEU A 57 10.490 41.230 -1.143 1.00 17.29 H new ATOM 0 HG LEU A 57 11.164 39.364 -2.956 1.00 20.51 H new ATOM 0 HD11 LEU A 57 13.261 39.190 -1.700 1.00 16.67 H new ATOM 0 HD12 LEU A 57 12.974 40.651 -2.240 1.00 16.67 H new ATOM 0 HD13 LEU A 57 12.678 40.293 -0.726 1.00 16.67 H new ATOM 0 HD21 LEU A 57 11.704 37.615 -1.622 1.00 17.89 H new ATOM 0 HD22 LEU A 57 10.771 38.272 -0.524 1.00 17.89 H new ATOM 0 HD23 LEU A 57 10.169 37.852 -1.927 1.00 17.89 H new ATOM 388 N HIS A 58 7.814 42.533 -2.645 1.00 20.09 N ATOM 389 CA HIS A 58 7.084 43.829 -2.551 1.00 21.99 C ATOM 390 C HIS A 58 5.620 43.554 -2.150 1.00 22.97 C ATOM 391 O HIS A 58 5.105 44.168 -1.187 1.00 23.88 O ATOM 392 CB HIS A 58 7.117 44.553 -3.860 1.00 23.48 C ATOM 393 CG HIS A 58 6.477 45.907 -3.804 1.00 24.86 C ATOM 394 ND1 HIS A 58 5.962 46.533 -4.924 1.00 29.44 N ATOM 395 CD2 HIS A 58 6.305 46.762 -2.769 1.00 25.69 C ATOM 396 CE1 HIS A 58 5.479 47.714 -4.568 1.00 27.03 C ATOM 397 NE2 HIS A 58 5.677 47.879 -3.269 1.00 24.37 N ATOM 0 H HIS A 58 8.084 42.346 -3.440 1.00 20.09 H new ATOM 0 HA HIS A 58 7.515 44.385 -1.883 1.00 21.99 H new ATOM 0 HB2 HIS A 58 8.039 44.649 -4.146 1.00 23.48 H new ATOM 0 HB3 HIS A 58 6.666 44.017 -4.531 1.00 23.48 H new ATOM 0 HD1 HIS A 58 5.956 46.209 -5.721 1.00 29.44 H new ATOM 0 HD2 HIS A 58 6.563 46.621 -1.887 1.00 25.69 H new ATOM 0 HE1 HIS A 58 5.069 48.326 -5.136 1.00 27.03 H new ATOM 398 N ALA A 59 4.993 42.602 -2.856 1.00 24.25 N ATOM 399 CA ALA A 59 3.558 42.260 -2.678 1.00 24.44 C ATOM 400 C ALA A 59 3.263 41.931 -1.230 1.00 24.64 C ATOM 401 O ALA A 59 2.198 42.350 -0.699 1.00 25.14 O ATOM 402 CB ALA A 59 3.148 41.061 -3.547 1.00 24.78 C ATOM 0 H ALA A 59 5.386 42.130 -3.458 1.00 24.25 H new ATOM 0 HA ALA A 59 3.047 43.038 -2.953 1.00 24.44 H new ATOM 0 HB1 ALA A 59 2.208 40.866 -3.407 1.00 24.78 H new ATOM 0 HB2 ALA A 59 3.298 41.272 -4.482 1.00 24.78 H new ATOM 0 HB3 ALA A 59 3.679 40.287 -3.302 1.00 24.78 H new ATOM 403 N VAL A 60 4.164 41.179 -0.594 1.00 22.14 N ATOM 404 CA VAL A 60 3.975 40.642 0.757 1.00 22.41 C ATOM 405 C VAL A 60 4.594 41.467 1.885 1.00 22.33 C ATOM 406 O VAL A 60 4.573 41.059 3.052 1.00 22.73 O ATOM 407 CB VAL A 60 4.337 39.126 0.889 1.00 22.93 C ATOM 408 CG1 VAL A 60 3.632 38.290 -0.189 1.00 23.98 C ATOM 409 CG2 VAL A 60 5.882 38.855 0.821 1.00 23.78 C ATOM 0 H VAL A 60 4.919 40.962 -0.944 1.00 22.14 H new ATOM 0 HA VAL A 60 3.016 40.721 0.881 1.00 22.41 H new ATOM 0 HB VAL A 60 4.026 38.859 1.768 1.00 22.93 H new ATOM 0 HG11 VAL A 60 3.873 37.356 -0.084 1.00 23.98 H new ATOM 0 HG12 VAL A 60 2.671 38.387 -0.097 1.00 23.98 H new ATOM 0 HG13 VAL A 60 3.905 38.597 -1.067 1.00 23.98 H new ATOM 0 HG21 VAL A 60 6.048 37.903 0.908 1.00 23.78 H new ATOM 0 HG22 VAL A 60 6.228 39.167 -0.030 1.00 23.78 H new ATOM 0 HG23 VAL A 60 6.326 39.327 1.543 1.00 23.78 H new ATOM 410 N GLY A 61 5.117 42.619 1.473 1.00 24.08 N ATOM 411 CA GLY A 61 5.742 43.649 2.321 1.00 26.34 C ATOM 412 C GLY A 61 7.013 43.162 2.997 1.00 26.75 C ATOM 413 O GLY A 61 7.291 43.521 4.127 1.00 28.90 O ATOM 0 H GLY A 61 5.119 42.839 0.642 1.00 24.08 H new ATOM 0 HA2 GLY A 61 5.946 44.428 1.780 1.00 26.34 H new ATOM 0 HA3 GLY A 61 5.108 43.933 2.998 1.00 26.34 H new ATOM 414 N LEU A 62 7.769 42.285 2.344 1.00 26.29 N ATOM 415 CA LEU A 62 9.152 41.990 2.818 1.00 25.06 C ATOM 416 C LEU A 62 10.037 43.163 2.448 1.00 26.14 C ATOM 417 O LEU A 62 11.015 43.490 3.177 1.00 26.20 O ATOM 418 CB LEU A 62 9.660 40.668 2.219 1.00 24.43 C ATOM 419 CG LEU A 62 9.087 39.408 2.836 1.00 22.36 C ATOM 420 CD1 LEU A 62 9.347 38.138 2.015 1.00 23.98 C ATOM 421 CD2 LEU A 62 9.573 39.273 4.295 1.00 29.15 C ATOM 0 H LEU A 62 7.523 41.853 1.642 1.00 26.29 H new ATOM 0 HA LEU A 62 9.165 41.876 3.781 1.00 25.06 H new ATOM 0 HB2 LEU A 62 9.461 40.664 1.270 1.00 24.43 H new ATOM 0 HB3 LEU A 62 10.626 40.642 2.306 1.00 24.43 H new ATOM 0 HG LEU A 62 8.122 39.502 2.833 1.00 22.36 H new ATOM 0 HD11 LEU A 62 8.955 37.374 2.467 1.00 23.98 H new ATOM 0 HD12 LEU A 62 8.948 38.233 1.136 1.00 23.98 H new ATOM 0 HD13 LEU A 62 10.303 38.002 1.923 1.00 23.98 H new ATOM 0 HD21 LEU A 62 9.204 38.466 4.686 1.00 29.15 H new ATOM 0 HD22 LEU A 62 10.542 39.226 4.311 1.00 29.15 H new ATOM 0 HD23 LEU A 62 9.279 40.043 4.807 1.00 29.15 H new ATOM 422 N THR A 63 9.714 43.810 1.331 1.00 26.17 N ATOM 423 CA THR A 63 10.331 45.072 0.938 1.00 27.33 C ATOM 424 C THR A 63 9.244 46.134 0.646 1.00 29.03 C ATOM 425 O THR A 63 8.135 45.787 0.221 1.00 29.45 O ATOM 426 CB THR A 63 11.284 44.898 -0.287 1.00 27.38 C ATOM 427 OG1 THR A 63 10.562 44.634 -1.525 1.00 26.46 O ATOM 428 CG2 THR A 63 12.253 43.720 -0.066 1.00 25.46 C ATOM 0 H THR A 63 9.124 43.525 0.774 1.00 26.17 H new ATOM 0 HA THR A 63 10.875 45.378 1.681 1.00 27.33 H new ATOM 0 HB THR A 63 11.764 45.737 -0.366 1.00 27.38 H new ATOM 0 HG1 THR A 63 10.507 45.342 -1.974 1.00 26.46 H new ATOM 0 HG21 THR A 63 12.834 43.630 -0.837 1.00 25.46 H new ATOM 0 HG22 THR A 63 12.789 43.886 0.725 1.00 25.46 H new ATOM 0 HG23 THR A 63 11.746 42.902 0.053 1.00 25.46 H new ATOM 429 N PRO A 64 9.551 47.414 0.902 1.00 30.66 N ATOM 430 CA PRO A 64 8.601 48.521 0.657 1.00 30.54 C ATOM 431 C PRO A 64 8.474 49.009 -0.784 1.00 31.13 C ATOM 432 O PRO A 64 7.584 49.826 -1.071 1.00 31.30 O ATOM 433 CB PRO A 64 9.173 49.661 1.508 1.00 31.21 C ATOM 434 CG PRO A 64 10.677 49.417 1.514 1.00 29.89 C ATOM 435 CD PRO A 64 10.797 47.891 1.551 1.00 30.11 C ATOM 0 HA PRO A 64 7.705 48.218 0.872 1.00 30.54 H new ATOM 0 HB2 PRO A 64 8.957 50.527 1.128 1.00 31.21 H new ATOM 0 HB3 PRO A 64 8.810 49.647 2.407 1.00 31.21 H new ATOM 0 HG2 PRO A 64 11.101 49.789 0.725 1.00 29.89 H new ATOM 0 HG3 PRO A 64 11.101 49.827 2.284 1.00 29.89 H new ATOM 0 HD2 PRO A 64 11.585 47.585 1.074 1.00 30.11 H new ATOM 0 HD3 PRO A 64 10.871 47.563 2.461 1.00 30.11 H new ATOM 436 N ARG A 65 9.380 48.581 -1.665 1.00 29.21 N ATOM 437 CA ARG A 65 9.363 48.923 -3.096 1.00 29.24 C ATOM 438 C ARG A 65 9.743 47.634 -3.797 1.00 27.74 C ATOM 439 O ARG A 65 10.259 46.747 -3.134 1.00 28.75 O ATOM 440 CB ARG A 65 10.424 49.978 -3.401 1.00 29.91 C ATOM 441 CG ARG A 65 9.912 51.452 -3.442 1.00 33.65 C ATOM 442 CD ARG A 65 11.073 52.512 -3.482 1.00 31.75 C ATOM 443 NE ARG A 65 12.389 51.851 -3.489 1.00 39.83 N ATOM 444 CZ ARG A 65 13.068 51.498 -4.587 1.00 40.21 C ATOM 445 NH1 ARG A 65 12.582 51.772 -5.795 1.00 38.68 N ATOM 446 NH2 ARG A 65 14.248 50.874 -4.479 1.00 42.50 N ATOM 0 H ARG A 65 10.038 48.072 -1.445 1.00 29.21 H new ATOM 0 HA ARG A 65 8.503 49.275 -3.375 1.00 29.24 H new ATOM 0 HB2 ARG A 65 11.124 49.913 -2.732 1.00 29.91 H new ATOM 0 HB3 ARG A 65 10.829 49.769 -4.257 1.00 29.91 H new ATOM 0 HG2 ARG A 65 9.347 51.570 -4.222 1.00 33.65 H new ATOM 0 HG3 ARG A 65 9.358 51.617 -2.663 1.00 33.65 H new ATOM 0 HD2 ARG A 65 10.982 53.067 -4.272 1.00 31.75 H new ATOM 0 HD3 ARG A 65 11.006 53.099 -2.713 1.00 31.75 H new ATOM 0 HE ARG A 65 12.750 51.678 -2.728 1.00 39.83 H new ATOM 0 HH11 ARG A 65 11.828 52.178 -5.873 1.00 38.68 H new ATOM 0 HH12 ARG A 65 13.022 51.543 -6.498 1.00 38.68 H new ATOM 0 HH21 ARG A 65 14.572 50.699 -3.702 1.00 42.50 H new ATOM 0 HH22 ARG A 65 14.682 50.649 -5.187 1.00 42.50 H new ATOM 447 N GLN A 66 9.490 47.511 -5.098 1.00 26.65 N ATOM 448 CA GLN A 66 9.968 46.346 -5.833 1.00 25.79 C ATOM 449 C GLN A 66 11.432 46.641 -6.229 1.00 24.08 C ATOM 450 O GLN A 66 11.717 47.628 -6.964 1.00 23.51 O ATOM 451 CB GLN A 66 9.099 46.022 -7.064 1.00 25.60 C ATOM 452 CG GLN A 66 9.701 44.922 -7.949 1.00 27.10 C ATOM 453 CD GLN A 66 8.793 44.468 -9.099 1.00 27.60 C ATOM 454 OE1 GLN A 66 7.562 44.564 -9.013 1.00 29.78 O ATOM 455 NE2 GLN A 66 9.392 43.946 -10.152 1.00 29.60 N ATOM 0 H GLN A 66 9.050 48.082 -5.567 1.00 26.65 H new ATOM 0 HA GLN A 66 9.911 45.555 -5.274 1.00 25.79 H new ATOM 0 HB2 GLN A 66 8.217 45.746 -6.768 1.00 25.60 H new ATOM 0 HB3 GLN A 66 8.982 46.827 -7.592 1.00 25.60 H new ATOM 0 HG2 GLN A 66 10.538 45.242 -8.319 1.00 27.10 H new ATOM 0 HG3 GLN A 66 9.911 44.154 -7.394 1.00 27.10 H new ATOM 0 HE21 GLN A 66 10.250 43.895 -10.177 1.00 29.60 H new ATOM 0 HE22 GLN A 66 8.924 43.656 -10.813 1.00 29.60 H new ATOM 456 N LEU A 67 12.356 45.836 -5.721 1.00 21.86 N ATOM 457 CA LEU A 67 13.766 46.072 -6.080 1.00 22.36 C ATOM 458 C LEU A 67 13.968 45.590 -7.494 1.00 21.92 C ATOM 459 O LEU A 67 13.226 44.688 -7.951 1.00 22.50 O ATOM 460 CB LEU A 67 14.745 45.315 -5.181 1.00 22.79 C ATOM 461 CG LEU A 67 14.782 45.313 -3.645 1.00 25.68 C ATOM 462 CD1 LEU A 67 16.178 45.245 -3.053 1.00 27.45 C ATOM 463 CD2 LEU A 67 13.859 46.235 -2.868 1.00 29.57 C ATOM 0 H LEU A 67 12.208 45.175 -5.191 1.00 21.86 H new ATOM 0 HA LEU A 67 13.944 47.020 -5.976 1.00 22.36 H new ATOM 0 HB2 LEU A 67 14.661 44.383 -5.437 1.00 22.79 H new ATOM 0 HB3 LEU A 67 15.627 45.607 -5.459 1.00 22.79 H new ATOM 0 HG LEU A 67 14.346 44.459 -3.497 1.00 25.68 H new ATOM 0 HD11 LEU A 67 16.120 45.248 -2.085 1.00 27.45 H new ATOM 0 HD12 LEU A 67 16.615 44.431 -3.348 1.00 27.45 H new ATOM 0 HD13 LEU A 67 16.692 46.013 -3.348 1.00 27.45 H new ATOM 0 HD21 LEU A 67 14.005 46.113 -1.917 1.00 29.57 H new ATOM 0 HD22 LEU A 67 14.045 47.156 -3.108 1.00 29.57 H new ATOM 0 HD23 LEU A 67 12.936 46.025 -3.082 1.00 29.57 H new ATOM 464 N VAL A 68 15.003 46.108 -8.180 1.00 20.28 N ATOM 465 CA VAL A 68 15.407 45.532 -9.435 1.00 20.42 C ATOM 466 C VAL A 68 16.487 44.505 -9.035 1.00 18.96 C ATOM 467 O VAL A 68 17.014 44.599 -7.895 1.00 17.53 O ATOM 468 CB VAL A 68 15.921 46.587 -10.398 1.00 20.77 C ATOM 469 CG1 VAL A 68 14.745 47.574 -10.756 1.00 24.53 C ATOM 470 CG2 VAL A 68 17.080 47.328 -9.787 1.00 22.54 C ATOM 0 H VAL A 68 15.468 46.785 -7.925 1.00 20.28 H new ATOM 0 HA VAL A 68 14.674 45.116 -9.916 1.00 20.42 H new ATOM 0 HB VAL A 68 16.236 46.163 -11.212 1.00 20.77 H new ATOM 0 HG11 VAL A 68 15.067 48.251 -11.371 1.00 24.53 H new ATOM 0 HG12 VAL A 68 14.021 47.079 -11.170 1.00 24.53 H new ATOM 0 HG13 VAL A 68 14.422 48.000 -9.947 1.00 24.53 H new ATOM 0 HG21 VAL A 68 17.400 47.999 -10.410 1.00 22.54 H new ATOM 0 HG22 VAL A 68 16.792 47.760 -8.967 1.00 22.54 H new ATOM 0 HG23 VAL A 68 17.795 46.704 -9.589 1.00 22.54 H new ATOM 471 N PRO A 69 16.710 43.492 -9.862 1.00 20.03 N ATOM 472 CA PRO A 69 17.682 42.444 -9.502 1.00 18.26 C ATOM 473 C PRO A 69 19.048 42.986 -9.020 1.00 18.07 C ATOM 474 O PRO A 69 19.630 42.420 -8.055 1.00 16.51 O ATOM 475 CB PRO A 69 17.753 41.578 -10.771 1.00 18.59 C ATOM 476 CG PRO A 69 16.264 41.665 -11.322 1.00 20.04 C ATOM 477 CD PRO A 69 16.016 43.163 -11.141 1.00 19.28 C ATOM 0 HA PRO A 69 17.405 41.933 -8.725 1.00 18.26 H new ATOM 0 HB2 PRO A 69 18.396 41.923 -11.410 1.00 18.59 H new ATOM 0 HB3 PRO A 69 18.013 40.665 -10.572 1.00 18.59 H new ATOM 0 HG2 PRO A 69 16.192 41.384 -12.248 1.00 20.04 H new ATOM 0 HG3 PRO A 69 15.645 41.120 -10.811 1.00 20.04 H new ATOM 0 HD2 PRO A 69 16.376 43.675 -11.882 1.00 19.28 H new ATOM 0 HD3 PRO A 69 15.068 43.363 -11.092 1.00 19.28 H new ATOM 478 N GLN A 70 19.506 44.088 -9.610 1.00 16.15 N ATOM 479 CA GLN A 70 20.850 44.607 -9.266 1.00 19.14 C ATOM 480 C GLN A 70 20.920 45.236 -7.865 1.00 18.27 C ATOM 481 O GLN A 70 22.005 45.530 -7.360 1.00 18.75 O ATOM 482 CB GLN A 70 21.363 45.557 -10.359 1.00 18.70 C ATOM 483 CG GLN A 70 21.902 44.770 -11.676 1.00 23.15 C ATOM 484 CD GLN A 70 22.252 45.709 -12.861 1.00 27.03 C ATOM 485 OE1 GLN A 70 23.436 46.137 -13.014 1.00 37.87 O ATOM 486 NE2 GLN A 70 21.249 46.037 -13.704 1.00 33.04 N ATOM 0 H GLN A 70 19.076 44.546 -10.197 1.00 16.15 H new ATOM 0 HA GLN A 70 21.446 43.843 -9.229 1.00 19.14 H new ATOM 0 HB2 GLN A 70 20.649 46.161 -10.618 1.00 18.70 H new ATOM 0 HB3 GLN A 70 22.079 46.102 -9.998 1.00 18.70 H new ATOM 0 HG2 GLN A 70 22.689 44.256 -11.437 1.00 23.15 H new ATOM 0 HG3 GLN A 70 21.226 44.136 -11.964 1.00 23.15 H new ATOM 0 HE21 GLN A 70 20.457 45.729 -13.571 1.00 33.04 H new ATOM 0 HE22 GLN A 70 21.402 46.554 -14.374 1.00 33.04 H new ATOM 487 N GLU A 71 19.747 45.455 -7.264 1.00 16.45 N ATOM 488 CA GLU A 71 19.645 45.981 -5.903 1.00 17.81 C ATOM 489 C GLU A 71 19.679 44.899 -4.826 1.00 15.11 C ATOM 490 O GLU A 71 19.517 45.196 -3.645 1.00 15.31 O ATOM 491 CB GLU A 71 18.388 46.859 -5.819 1.00 18.25 C ATOM 492 CG GLU A 71 18.599 48.250 -6.460 1.00 17.79 C ATOM 493 CD GLU A 71 17.309 49.067 -6.557 1.00 21.32 C ATOM 494 OE1 GLU A 71 16.232 48.464 -6.551 1.00 22.20 O ATOM 495 OE2 GLU A 71 17.396 50.329 -6.632 1.00 23.57 O ATOM 0 H GLU A 71 18.987 45.302 -7.637 1.00 16.45 H new ATOM 0 HA GLU A 71 20.431 46.518 -5.718 1.00 17.81 H new ATOM 0 HB2 GLU A 71 17.652 46.409 -6.263 1.00 18.25 H new ATOM 0 HB3 GLU A 71 18.134 46.969 -4.889 1.00 18.25 H new ATOM 0 HG2 GLU A 71 19.251 48.745 -5.939 1.00 17.79 H new ATOM 0 HG3 GLU A 71 18.972 48.138 -7.348 1.00 17.79 H new ATOM 496 N TYR A 72 19.938 43.646 -5.235 1.00 14.41 N ATOM 497 CA TYR A 72 19.776 42.536 -4.317 1.00 14.27 C ATOM 498 C TYR A 72 20.567 42.670 -3.000 1.00 12.20 C ATOM 499 O TYR A 72 20.131 42.215 -1.918 1.00 13.82 O ATOM 500 CB TYR A 72 20.129 41.239 -5.019 1.00 13.23 C ATOM 501 CG TYR A 72 21.620 41.102 -5.270 1.00 13.72 C ATOM 502 CD1 TYR A 72 22.397 40.364 -4.367 1.00 13.39 C ATOM 503 CD2 TYR A 72 22.229 41.703 -6.402 1.00 15.92 C ATOM 504 CE1 TYR A 72 23.811 40.217 -4.534 1.00 14.14 C ATOM 505 CE2 TYR A 72 23.647 41.574 -6.614 1.00 17.09 C ATOM 506 CZ TYR A 72 24.403 40.820 -5.679 1.00 16.25 C ATOM 507 OH TYR A 72 25.781 40.664 -5.844 1.00 15.26 O ATOM 0 H TYR A 72 20.202 43.432 -6.025 1.00 14.41 H new ATOM 0 HA TYR A 72 18.843 42.539 -4.053 1.00 14.27 H new ATOM 0 HB2 TYR A 72 19.824 40.491 -4.482 1.00 13.23 H new ATOM 0 HB3 TYR A 72 19.656 41.193 -5.865 1.00 13.23 H new ATOM 0 HD1 TYR A 72 21.983 39.959 -3.640 1.00 13.39 H new ATOM 0 HD2 TYR A 72 21.711 42.181 -7.008 1.00 15.92 H new ATOM 0 HE1 TYR A 72 24.323 39.745 -3.918 1.00 14.14 H new ATOM 0 HE2 TYR A 72 24.058 41.975 -7.346 1.00 17.09 H new ATOM 0 HH TYR A 72 26.061 41.222 -6.406 1.00 15.26 H new ATOM 508 N ALA A 73 21.768 43.255 -3.090 1.00 12.40 N ATOM 509 CA ALA A 73 22.620 43.389 -1.923 1.00 14.08 C ATOM 510 C ALA A 73 22.147 44.370 -0.858 1.00 12.33 C ATOM 511 O ALA A 73 22.711 44.401 0.237 1.00 14.98 O ATOM 512 CB ALA A 73 24.136 43.671 -2.304 1.00 14.12 C ATOM 0 H ALA A 73 22.098 43.576 -3.816 1.00 12.40 H new ATOM 0 HA ALA A 73 22.552 42.514 -1.509 1.00 14.08 H new ATOM 0 HB1 ALA A 73 24.664 43.752 -1.494 1.00 14.12 H new ATOM 0 HB2 ALA A 73 24.477 42.938 -2.839 1.00 14.12 H new ATOM 0 HB3 ALA A 73 24.194 44.496 -2.812 1.00 14.12 H new ATOM 513 N THR A 74 21.098 45.168 -1.167 1.00 14.53 N ATOM 514 CA THR A 74 20.570 46.108 -0.229 1.00 16.42 C ATOM 515 C THR A 74 19.586 45.459 0.737 1.00 16.18 C ATOM 516 O THR A 74 19.164 46.065 1.721 1.00 15.82 O ATOM 517 CB THR A 74 19.884 47.285 -0.951 1.00 16.73 C ATOM 518 OG1 THR A 74 18.680 46.813 -1.608 1.00 14.76 O ATOM 519 CG2 THR A 74 20.776 47.905 -2.083 1.00 15.84 C ATOM 0 H THR A 74 20.695 45.159 -1.927 1.00 14.53 H new ATOM 0 HA THR A 74 21.323 46.442 0.283 1.00 16.42 H new ATOM 0 HB THR A 74 19.707 47.953 -0.271 1.00 16.73 H new ATOM 0 HG1 THR A 74 18.888 46.309 -2.247 1.00 14.76 H new ATOM 0 HG21 THR A 74 20.301 48.638 -2.504 1.00 15.84 H new ATOM 0 HG22 THR A 74 21.604 48.234 -1.699 1.00 15.84 H new ATOM 0 HG23 THR A 74 20.976 47.226 -2.746 1.00 15.84 H new ATOM 520 N LEU A 75 19.245 44.199 0.479 1.00 15.57 N ATOM 521 CA LEU A 75 18.243 43.556 1.292 1.00 15.58 C ATOM 522 C LEU A 75 18.490 43.574 2.811 1.00 16.99 C ATOM 523 O LEU A 75 17.514 43.538 3.581 1.00 16.58 O ATOM 524 CB LEU A 75 18.010 42.093 0.835 1.00 15.04 C ATOM 525 CG LEU A 75 17.185 41.899 -0.458 1.00 16.72 C ATOM 526 CD1 LEU A 75 17.089 40.398 -0.769 1.00 13.58 C ATOM 527 CD2 LEU A 75 15.779 42.505 -0.249 1.00 17.04 C ATOM 0 H LEU A 75 19.578 43.715 -0.149 1.00 15.57 H new ATOM 0 HA LEU A 75 17.453 44.100 1.148 1.00 15.58 H new ATOM 0 HB2 LEU A 75 18.875 41.672 0.710 1.00 15.04 H new ATOM 0 HB3 LEU A 75 17.565 41.617 1.554 1.00 15.04 H new ATOM 0 HG LEU A 75 17.612 42.346 -1.206 1.00 16.72 H new ATOM 0 HD11 LEU A 75 16.572 40.268 -1.580 1.00 13.58 H new ATOM 0 HD12 LEU A 75 17.980 40.035 -0.892 1.00 13.58 H new ATOM 0 HD13 LEU A 75 16.654 39.942 -0.032 1.00 13.58 H new ATOM 0 HD21 LEU A 75 15.253 42.388 -1.056 1.00 17.04 H new ATOM 0 HD22 LEU A 75 15.340 42.057 0.491 1.00 17.04 H new ATOM 0 HD23 LEU A 75 15.860 43.451 -0.051 1.00 17.04 H new ATOM 528 N PRO A 76 19.743 43.539 3.283 1.00 15.96 N ATOM 529 CA PRO A 76 19.940 43.563 4.736 1.00 16.85 C ATOM 530 C PRO A 76 19.364 44.777 5.463 1.00 16.64 C ATOM 531 O PRO A 76 19.114 44.682 6.676 1.00 18.06 O ATOM 532 CB PRO A 76 21.478 43.500 4.909 1.00 15.83 C ATOM 533 CG PRO A 76 21.922 42.763 3.693 1.00 17.65 C ATOM 534 CD PRO A 76 21.036 43.300 2.581 1.00 17.07 C ATOM 0 HA PRO A 76 19.458 42.824 5.140 1.00 16.85 H new ATOM 0 HB2 PRO A 76 21.871 44.386 4.956 1.00 15.83 H new ATOM 0 HB3 PRO A 76 21.729 43.035 5.722 1.00 15.83 H new ATOM 0 HG2 PRO A 76 22.860 42.923 3.506 1.00 17.65 H new ATOM 0 HG3 PRO A 76 21.813 41.805 3.801 1.00 17.65 H new ATOM 0 HD2 PRO A 76 21.394 44.115 2.196 1.00 17.07 H new ATOM 0 HD3 PRO A 76 20.941 42.663 1.856 1.00 17.07 H new ATOM 535 N GLN A 77 19.158 45.874 4.759 1.00 17.01 N ATOM 536 CA GLN A 77 18.559 47.049 5.385 1.00 19.63 C ATOM 537 C GLN A 77 17.087 46.728 5.809 1.00 20.32 C ATOM 538 O GLN A 77 16.486 47.413 6.635 1.00 20.77 O ATOM 539 CB GLN A 77 18.682 48.258 4.463 1.00 19.15 C ATOM 540 CG GLN A 77 17.687 48.301 3.297 1.00 16.72 C ATOM 541 CD GLN A 77 17.819 49.504 2.465 1.00 12.80 C ATOM 542 OE1 GLN A 77 18.045 50.637 2.981 1.00 16.58 O ATOM 543 NE2 GLN A 77 17.646 49.317 1.149 1.00 18.44 N ATOM 0 H GLN A 77 19.353 45.965 3.926 1.00 17.01 H new ATOM 0 HA GLN A 77 19.038 47.280 6.196 1.00 19.63 H new ATOM 0 HB2 GLN A 77 18.570 49.063 4.993 1.00 19.15 H new ATOM 0 HB3 GLN A 77 19.582 48.279 4.101 1.00 19.15 H new ATOM 0 HG2 GLN A 77 17.815 47.516 2.742 1.00 16.72 H new ATOM 0 HG3 GLN A 77 16.784 48.256 3.649 1.00 16.72 H new ATOM 0 HE21 GLN A 77 17.494 48.528 0.843 1.00 18.44 H new ATOM 0 HE22 GLN A 77 17.687 49.986 0.611 1.00 18.44 H new ATOM 544 N TYR A 78 16.548 45.661 5.244 1.00 20.32 N ATOM 545 CA TYR A 78 15.195 45.168 5.568 1.00 20.73 C ATOM 546 C TYR A 78 15.266 43.895 6.383 1.00 20.94 C ATOM 547 O TYR A 78 14.251 43.243 6.618 1.00 21.29 O ATOM 548 CB TYR A 78 14.396 44.972 4.246 1.00 21.83 C ATOM 549 CG TYR A 78 14.331 46.231 3.408 1.00 23.30 C ATOM 550 CD1 TYR A 78 13.915 47.420 3.968 1.00 23.09 C ATOM 551 CD2 TYR A 78 14.667 46.221 2.049 1.00 21.30 C ATOM 552 CE1 TYR A 78 13.839 48.596 3.220 1.00 26.46 C ATOM 553 CE2 TYR A 78 14.595 47.366 1.308 1.00 24.70 C ATOM 554 CZ TYR A 78 14.191 48.555 1.897 1.00 24.61 C ATOM 555 OH TYR A 78 14.100 49.702 1.141 1.00 27.76 O ATOM 0 H TYR A 78 16.954 45.188 4.652 1.00 20.32 H new ATOM 0 HA TYR A 78 14.730 45.821 6.115 1.00 20.73 H new ATOM 0 HB2 TYR A 78 14.807 44.263 3.726 1.00 21.83 H new ATOM 0 HB3 TYR A 78 13.495 44.682 4.458 1.00 21.83 H new ATOM 0 HD1 TYR A 78 13.679 47.439 4.867 1.00 23.09 H new ATOM 0 HD2 TYR A 78 14.941 45.428 1.648 1.00 21.30 H new ATOM 0 HE1 TYR A 78 13.555 49.390 3.612 1.00 26.46 H new ATOM 0 HE2 TYR A 78 14.818 47.348 0.405 1.00 24.70 H new ATOM 0 HH TYR A 78 14.376 50.356 1.590 1.00 27.76 H new ATOM 556 N GLY A 79 16.474 43.535 6.816 1.00 18.91 N ATOM 557 CA GLY A 79 16.738 42.315 7.560 1.00 17.82 C ATOM 558 C GLY A 79 16.729 41.007 6.760 1.00 15.65 C ATOM 559 O GLY A 79 16.660 39.918 7.327 1.00 15.92 O ATOM 0 H GLY A 79 17.178 44.009 6.679 1.00 18.91 H new ATOM 0 HA2 GLY A 79 17.604 42.402 7.988 1.00 17.82 H new ATOM 0 HA3 GLY A 79 16.078 42.242 8.267 1.00 17.82 H new ATOM 560 N LEU A 80 16.895 41.129 5.444 1.00 15.49 N ATOM 561 CA LEU A 80 16.886 39.972 4.548 1.00 14.55 C ATOM 562 C LEU A 80 18.288 39.738 3.950 1.00 14.11 C ATOM 563 O LEU A 80 19.008 40.706 3.663 1.00 14.68 O ATOM 564 CB LEU A 80 15.914 40.174 3.396 1.00 13.48 C ATOM 565 CG LEU A 80 14.480 39.620 3.627 1.00 13.62 C ATOM 566 CD1 LEU A 80 13.890 40.246 4.956 1.00 16.40 C ATOM 567 CD2 LEU A 80 13.634 39.897 2.425 1.00 15.12 C ATOM 0 H LEU A 80 17.016 41.882 5.046 1.00 15.49 H new ATOM 0 HA LEU A 80 16.612 39.206 5.077 1.00 14.55 H new ATOM 0 HB2 LEU A 80 15.851 41.124 3.209 1.00 13.48 H new ATOM 0 HB3 LEU A 80 16.283 39.753 2.604 1.00 13.48 H new ATOM 0 HG LEU A 80 14.496 38.657 3.743 1.00 13.62 H new ATOM 0 HD11 LEU A 80 12.995 39.904 5.105 1.00 16.40 H new ATOM 0 HD12 LEU A 80 14.457 40.007 5.706 1.00 16.40 H new ATOM 0 HD13 LEU A 80 13.857 41.212 4.872 1.00 16.40 H new ATOM 0 HD21 LEU A 80 12.740 39.550 2.571 1.00 15.12 H new ATOM 0 HD22 LEU A 80 13.589 40.854 2.275 1.00 15.12 H new ATOM 0 HD23 LEU A 80 14.024 39.466 1.648 1.00 15.12 H new ATOM 568 N GLY A 81 18.614 38.472 3.769 1.00 12.52 N ATOM 569 CA GLY A 81 19.831 38.031 3.044 1.00 12.95 C ATOM 570 C GLY A 81 19.517 36.981 1.989 1.00 13.98 C ATOM 571 O GLY A 81 18.344 36.557 1.815 1.00 12.97 O ATOM 0 H GLY A 81 18.136 37.820 4.063 1.00 12.52 H new ATOM 0 HA2 GLY A 81 20.250 38.797 2.622 1.00 12.95 H new ATOM 0 HA3 GLY A 81 20.471 37.670 3.677 1.00 12.95 H new ATOM 572 N LEU A 82 20.567 36.496 1.329 1.00 11.84 N ATOM 573 CA LEU A 82 20.408 35.656 0.162 1.00 10.38 C ATOM 574 C LEU A 82 21.584 34.706 0.047 1.00 11.80 C ATOM 575 O LEU A 82 22.767 35.104 0.292 1.00 11.72 O ATOM 576 CB LEU A 82 20.388 36.462 -1.155 1.00 10.22 C ATOM 577 CG LEU A 82 19.191 37.410 -1.370 1.00 11.25 C ATOM 578 CD1 LEU A 82 19.488 38.273 -2.547 1.00 12.91 C ATOM 579 CD2 LEU A 82 17.930 36.459 -1.598 1.00 11.28 C ATOM 0 H LEU A 82 21.384 36.648 1.549 1.00 11.84 H new ATOM 0 HA LEU A 82 19.563 35.195 0.280 1.00 10.38 H new ATOM 0 HB2 LEU A 82 21.202 36.987 -1.201 1.00 10.22 H new ATOM 0 HB3 LEU A 82 20.414 35.834 -1.894 1.00 10.22 H new ATOM 0 HG LEU A 82 19.017 38.004 -0.623 1.00 11.25 H new ATOM 0 HD11 LEU A 82 18.746 38.878 -2.700 1.00 12.91 H new ATOM 0 HD12 LEU A 82 20.294 38.786 -2.377 1.00 12.91 H new ATOM 0 HD13 LEU A 82 19.618 37.717 -3.331 1.00 12.91 H new ATOM 0 HD21 LEU A 82 17.138 37.000 -1.740 1.00 11.28 H new ATOM 0 HD22 LEU A 82 18.083 35.899 -2.375 1.00 11.28 H new ATOM 0 HD23 LEU A 82 17.802 35.898 -0.817 1.00 11.28 H new ATOM 580 N THR A 83 21.273 33.498 -0.338 1.00 12.10 N ATOM 581 CA THR A 83 22.291 32.551 -0.867 1.00 13.48 C ATOM 582 C THR A 83 21.575 31.462 -1.709 1.00 12.16 C ATOM 583 O THR A 83 20.373 31.551 -1.903 1.00 11.55 O ATOM 584 CB THR A 83 23.153 31.943 0.279 1.00 12.79 C ATOM 585 OG1 THR A 83 24.182 31.094 -0.271 1.00 13.79 O ATOM 586 CG2 THR A 83 22.308 31.048 1.232 1.00 13.54 C ATOM 0 H THR A 83 20.475 33.179 -0.311 1.00 12.10 H new ATOM 0 HA THR A 83 22.911 33.028 -1.441 1.00 13.48 H new ATOM 0 HB THR A 83 23.525 32.693 0.769 1.00 12.79 H new ATOM 0 HG1 THR A 83 24.756 31.566 -0.662 1.00 13.79 H new ATOM 0 HG21 THR A 83 22.878 30.689 1.930 1.00 13.54 H new ATOM 0 HG22 THR A 83 21.602 31.579 1.633 1.00 13.54 H new ATOM 0 HG23 THR A 83 21.916 30.318 0.728 1.00 13.54 H new ATOM 587 N ASP A 84 22.296 30.432 -2.136 1.00 11.95 N ATOM 588 CA ASP A 84 21.732 29.324 -2.898 1.00 12.16 C ATOM 589 C ASP A 84 22.409 28.031 -2.488 1.00 13.86 C ATOM 590 O ASP A 84 23.548 28.052 -2.030 1.00 14.72 O ATOM 591 CB ASP A 84 21.995 29.518 -4.387 1.00 13.36 C ATOM 592 CG ASP A 84 21.133 30.624 -5.017 1.00 15.06 C ATOM 593 OD1 ASP A 84 19.915 30.758 -4.683 1.00 14.05 O ATOM 594 OD2 ASP A 84 21.585 31.364 -5.928 1.00 14.12 O ATOM 0 H ASP A 84 23.140 30.356 -1.989 1.00 11.95 H new ATOM 0 HA ASP A 84 20.778 29.292 -2.724 1.00 12.16 H new ATOM 0 HB2 ASP A 84 22.932 29.732 -4.518 1.00 13.36 H new ATOM 0 HB3 ASP A 84 21.827 28.682 -4.850 1.00 13.36 H new ATOM 595 N VAL A 85 21.759 26.917 -2.755 1.00 12.31 N ATOM 596 CA VAL A 85 22.381 25.620 -2.431 1.00 13.38 C ATOM 597 C VAL A 85 23.580 25.366 -3.335 1.00 13.15 C ATOM 598 O VAL A 85 24.593 24.785 -2.912 1.00 15.27 O ATOM 599 CB VAL A 85 21.334 24.486 -2.524 1.00 12.80 C ATOM 600 CG1 VAL A 85 21.935 23.130 -2.090 1.00 15.58 C ATOM 601 CG2 VAL A 85 20.065 24.828 -1.673 1.00 16.45 C ATOM 0 H VAL A 85 20.978 26.874 -3.113 1.00 12.31 H new ATOM 0 HA VAL A 85 22.707 25.641 -1.518 1.00 13.38 H new ATOM 0 HB VAL A 85 21.066 24.408 -3.453 1.00 12.80 H new ATOM 0 HG11 VAL A 85 21.258 22.439 -2.158 1.00 15.58 H new ATOM 0 HG12 VAL A 85 22.682 22.908 -2.667 1.00 15.58 H new ATOM 0 HG13 VAL A 85 22.243 23.191 -1.172 1.00 15.58 H new ATOM 0 HG21 VAL A 85 19.422 24.105 -1.745 1.00 16.45 H new ATOM 0 HG22 VAL A 85 20.319 24.942 -0.744 1.00 16.45 H new ATOM 0 HG23 VAL A 85 19.666 25.649 -2.002 1.00 16.45 H new ATOM 602 N ALA A 86 23.475 25.772 -4.597 1.00 13.47 N ATOM 603 CA ALA A 86 24.571 25.685 -5.566 1.00 15.27 C ATOM 604 C ALA A 86 25.092 27.106 -5.922 1.00 16.88 C ATOM 605 O ALA A 86 24.336 27.947 -6.450 1.00 15.85 O ATOM 606 CB ALA A 86 24.116 24.970 -6.791 1.00 15.19 C ATOM 0 H ALA A 86 22.755 26.111 -4.922 1.00 13.47 H new ATOM 0 HA ALA A 86 25.301 25.184 -5.170 1.00 15.27 H new ATOM 0 HB1 ALA A 86 24.848 24.917 -7.426 1.00 15.19 H new ATOM 0 HB2 ALA A 86 23.828 24.074 -6.555 1.00 15.19 H new ATOM 0 HB3 ALA A 86 23.375 25.452 -7.191 1.00 15.19 H new ATOM 607 N LYS A 87 26.368 27.369 -5.636 1.00 15.67 N ATOM 608 CA LYS A 87 26.908 28.713 -5.800 1.00 16.51 C ATOM 609 C LYS A 87 27.910 28.870 -6.980 1.00 18.04 C ATOM 610 O LYS A 87 28.241 29.967 -7.359 1.00 19.00 O ATOM 611 CB LYS A 87 27.607 29.120 -4.520 1.00 17.00 C ATOM 612 CG LYS A 87 26.656 29.445 -3.369 1.00 17.04 C ATOM 613 CD LYS A 87 25.700 30.656 -3.664 1.00 14.49 C ATOM 614 CE LYS A 87 26.477 31.908 -4.036 1.00 11.23 C ATOM 615 NZ LYS A 87 25.646 33.177 -3.968 1.00 11.73 N ATOM 0 H LYS A 87 26.931 26.786 -5.348 1.00 15.67 H new ATOM 0 HA LYS A 87 26.150 29.282 -6.006 1.00 16.51 H new ATOM 0 HB2 LYS A 87 28.200 28.404 -4.245 1.00 17.00 H new ATOM 0 HB3 LYS A 87 28.162 29.896 -4.698 1.00 17.00 H new ATOM 0 HG2 LYS A 87 26.120 28.661 -3.171 1.00 17.04 H new ATOM 0 HG3 LYS A 87 27.177 29.640 -2.575 1.00 17.04 H new ATOM 0 HD2 LYS A 87 25.096 30.423 -4.386 1.00 14.49 H new ATOM 0 HD3 LYS A 87 25.153 30.834 -2.883 1.00 14.49 H new ATOM 0 HE2 LYS A 87 27.239 31.996 -3.442 1.00 11.23 H new ATOM 0 HE3 LYS A 87 26.828 31.807 -4.935 1.00 11.23 H new ATOM 0 HZ1 LYS A 87 26.113 33.856 -4.304 1.00 11.73 H new ATOM 0 HZ2 LYS A 87 24.899 33.069 -4.440 1.00 11.73 H new ATOM 0 HZ3 LYS A 87 25.439 33.351 -3.120 1.00 11.73 H new ATOM 616 N ARG A 88 28.452 27.739 -7.437 1.00 18.80 N ATOM 617 CA ARG A 88 29.501 27.735 -8.466 1.00 19.16 C ATOM 618 C ARG A 88 29.018 27.310 -9.847 1.00 19.60 C ATOM 619 O ARG A 88 29.854 27.192 -10.775 1.00 19.61 O ATOM 620 CB ARG A 88 30.612 26.746 -8.025 1.00 19.71 C ATOM 621 CG ARG A 88 31.283 27.162 -6.682 1.00 20.59 C ATOM 622 CD ARG A 88 32.495 26.273 -6.294 1.00 22.83 C ATOM 623 NE ARG A 88 33.156 26.722 -5.062 1.00 23.41 N ATOM 624 CZ ARG A 88 32.660 26.520 -3.829 1.00 25.32 C ATOM 625 NH1 ARG A 88 31.490 25.908 -3.651 1.00 23.89 N ATOM 626 NH2 ARG A 88 33.348 26.931 -2.761 1.00 25.82 N ATOM 0 H ARG A 88 28.225 26.956 -7.162 1.00 18.80 H new ATOM 0 HA ARG A 88 29.816 28.649 -8.544 1.00 19.16 H new ATOM 0 HB2 ARG A 88 30.232 25.858 -7.932 1.00 19.71 H new ATOM 0 HB3 ARG A 88 31.288 26.694 -8.718 1.00 19.71 H new ATOM 0 HG2 ARG A 88 31.575 28.085 -6.747 1.00 20.59 H new ATOM 0 HG3 ARG A 88 30.622 27.123 -5.973 1.00 20.59 H new ATOM 0 HD2 ARG A 88 32.196 25.357 -6.181 1.00 22.83 H new ATOM 0 HD3 ARG A 88 33.138 26.274 -7.020 1.00 22.83 H new ATOM 0 HE ARG A 88 33.905 27.139 -5.134 1.00 23.41 H new ATOM 0 HH11 ARG A 88 31.040 25.635 -4.331 1.00 23.89 H new ATOM 0 HH12 ARG A 88 31.185 25.786 -2.856 1.00 23.89 H new ATOM 0 HH21 ARG A 88 34.106 27.324 -2.863 1.00 25.82 H new ATOM 0 HH22 ARG A 88 33.033 26.803 -1.971 1.00 25.82 H new ATOM 627 N HIS A 89 27.708 27.045 -9.991 1.00 19.12 N ATOM 628 CA HIS A 89 27.144 26.618 -11.253 1.00 17.85 C ATOM 629 C HIS A 89 25.813 27.353 -11.429 1.00 19.11 C ATOM 630 O HIS A 89 25.170 27.725 -10.455 1.00 16.68 O ATOM 631 CB HIS A 89 26.845 25.102 -11.236 1.00 17.40 C ATOM 632 CG HIS A 89 28.058 24.231 -11.003 1.00 19.95 C ATOM 633 ND1 HIS A 89 28.589 24.004 -9.748 1.00 18.48 N ATOM 634 CD2 HIS A 89 28.837 23.537 -11.875 1.00 24.32 C ATOM 635 CE1 HIS A 89 29.641 23.197 -9.855 1.00 24.88 C ATOM 636 NE2 HIS A 89 29.818 22.909 -11.139 1.00 23.11 N ATOM 0 H HIS A 89 27.135 27.112 -9.353 1.00 19.12 H new ATOM 0 HA HIS A 89 27.771 26.809 -11.968 1.00 17.85 H new ATOM 0 HB2 HIS A 89 26.191 24.920 -10.543 1.00 17.40 H new ATOM 0 HB3 HIS A 89 26.439 24.854 -12.081 1.00 17.40 H new ATOM 0 HD2 HIS A 89 28.728 23.494 -12.798 1.00 24.32 H new ATOM 0 HE1 HIS A 89 30.163 22.887 -9.151 1.00 24.88 H new ATOM 0 HE2 HIS A 89 30.443 22.412 -11.459 1.00 23.11 H new ATOM 637 N SER A 90 25.399 27.504 -12.692 1.00 19.53 N ATOM 638 CA SER A 90 24.132 28.124 -12.999 1.00 20.93 C ATOM 639 C SER A 90 23.330 27.236 -13.916 1.00 21.22 C ATOM 640 O SER A 90 23.877 26.328 -14.577 1.00 21.57 O ATOM 641 CB SER A 90 24.373 29.494 -13.634 1.00 19.32 C ATOM 642 OG SER A 90 24.954 29.409 -14.950 1.00 25.13 O ATOM 0 H SER A 90 25.848 27.249 -13.380 1.00 19.53 H new ATOM 0 HA SER A 90 23.625 28.248 -12.182 1.00 20.93 H new ATOM 0 HB2 SER A 90 23.531 29.973 -13.688 1.00 19.32 H new ATOM 0 HB3 SER A 90 24.958 30.013 -13.060 1.00 19.32 H new ATOM 0 HG SER A 90 24.366 29.174 -15.502 1.00 25.13 H new ATOM 643 N GLY A 91 22.037 27.515 -13.977 1.00 22.21 N ATOM 644 CA GLY A 91 21.146 26.845 -14.918 1.00 23.71 C ATOM 645 C GLY A 91 19.984 26.259 -14.149 1.00 23.86 C ATOM 646 O GLY A 91 19.798 26.558 -12.940 1.00 24.14 O ATOM 0 H GLY A 91 21.649 28.097 -13.476 1.00 22.21 H new ATOM 0 HA2 GLY A 91 20.826 27.473 -15.584 1.00 23.71 H new ATOM 0 HA3 GLY A 91 21.622 26.146 -15.393 1.00 23.71 H new ATOM 647 N VAL A 92 19.195 25.426 -14.815 1.00 24.08 N ATOM 648 CA VAL A 92 18.059 24.817 -14.156 1.00 24.52 C ATOM 649 C VAL A 92 18.500 23.640 -13.313 1.00 24.05 C ATOM 650 O VAL A 92 19.509 22.960 -13.657 1.00 21.92 O ATOM 651 CB VAL A 92 16.953 24.419 -15.185 1.00 26.02 C ATOM 652 CG1 VAL A 92 16.722 25.606 -16.100 1.00 27.37 C ATOM 653 CG2 VAL A 92 17.347 23.192 -16.025 1.00 26.51 C ATOM 0 H VAL A 92 19.301 25.204 -15.639 1.00 24.08 H new ATOM 0 HA VAL A 92 17.665 25.472 -13.559 1.00 24.52 H new ATOM 0 HB VAL A 92 16.148 24.181 -14.698 1.00 26.02 H new ATOM 0 HG11 VAL A 92 16.038 25.385 -16.751 1.00 27.37 H new ATOM 0 HG12 VAL A 92 16.434 26.369 -15.574 1.00 27.37 H new ATOM 0 HG13 VAL A 92 17.547 25.825 -16.561 1.00 27.37 H new ATOM 0 HG21 VAL A 92 16.633 22.983 -16.647 1.00 26.51 H new ATOM 0 HG22 VAL A 92 18.159 23.385 -16.519 1.00 26.51 H new ATOM 0 HG23 VAL A 92 17.498 22.433 -15.439 1.00 26.51 H new ATOM 654 N ALA A 93 17.811 23.435 -12.179 1.00 24.84 N ATOM 655 CA ALA A 93 18.131 22.314 -11.265 1.00 25.49 C ATOM 656 C ALA A 93 18.423 21.005 -11.953 1.00 25.37 C ATOM 657 O ALA A 93 19.442 20.372 -11.656 1.00 25.74 O ATOM 658 CB ALA A 93 17.012 22.105 -10.211 1.00 25.18 C ATOM 0 H ALA A 93 17.157 23.929 -11.919 1.00 24.84 H new ATOM 0 HA ALA A 93 18.954 22.587 -10.829 1.00 25.49 H new ATOM 0 HB1 ALA A 93 17.249 21.366 -9.629 1.00 25.18 H new ATOM 0 HB2 ALA A 93 16.910 22.912 -9.683 1.00 25.18 H new ATOM 0 HB3 ALA A 93 16.176 21.905 -10.661 1.00 25.18 H new ATOM 659 N ALA A 94 17.543 20.584 -12.871 1.00 25.85 N ATOM 660 CA ALA A 94 17.702 19.292 -13.554 1.00 25.86 C ATOM 661 C ALA A 94 18.982 19.148 -14.346 1.00 25.53 C ATOM 662 O ALA A 94 19.421 18.019 -14.605 1.00 26.79 O ATOM 663 CB ALA A 94 16.527 19.011 -14.465 1.00 26.68 C ATOM 0 H ALA A 94 16.849 21.031 -13.112 1.00 25.85 H new ATOM 0 HA ALA A 94 17.744 18.642 -12.835 1.00 25.86 H new ATOM 0 HB1 ALA A 94 16.655 18.155 -14.903 1.00 26.68 H new ATOM 0 HB2 ALA A 94 15.710 18.987 -13.942 1.00 26.68 H new ATOM 0 HB3 ALA A 94 16.462 19.710 -15.134 1.00 26.68 H new ATOM 664 N ALA A 95 19.565 20.260 -14.754 1.00 24.71 N ATOM 665 CA ALA A 95 20.723 20.255 -15.629 1.00 24.32 C ATOM 666 C ALA A 95 22.036 20.382 -14.854 1.00 24.50 C ATOM 667 O ALA A 95 23.104 20.219 -15.415 1.00 23.57 O ATOM 668 CB ALA A 95 20.600 21.361 -16.630 1.00 24.76 C ATOM 0 H ALA A 95 19.299 21.046 -14.530 1.00 24.71 H new ATOM 0 HA ALA A 95 20.746 19.400 -16.086 1.00 24.32 H new ATOM 0 HB1 ALA A 95 21.374 21.357 -17.214 1.00 24.76 H new ATOM 0 HB2 ALA A 95 19.797 21.232 -17.158 1.00 24.76 H new ATOM 0 HB3 ALA A 95 20.549 22.212 -16.168 1.00 24.76 H new ATOM 669 N LEU A 96 21.956 20.686 -13.552 1.00 22.95 N ATOM 670 CA LEU A 96 23.164 20.975 -12.808 1.00 22.48 C ATOM 671 C LEU A 96 23.936 19.669 -12.625 1.00 21.74 C ATOM 672 O LEU A 96 23.301 18.662 -12.378 1.00 22.59 O ATOM 673 CB LEU A 96 22.795 21.544 -11.427 1.00 22.95 C ATOM 674 CG LEU A 96 22.259 23.006 -11.414 1.00 18.70 C ATOM 675 CD1 LEU A 96 21.933 23.432 -9.987 1.00 23.46 C ATOM 676 CD2 LEU A 96 23.205 24.027 -12.052 1.00 26.52 C ATOM 0 H LEU A 96 21.226 20.727 -13.099 1.00 22.95 H new ATOM 0 HA LEU A 96 23.704 21.624 -13.286 1.00 22.48 H new ATOM 0 HB2 LEU A 96 22.124 20.968 -11.028 1.00 22.95 H new ATOM 0 HB3 LEU A 96 23.580 21.501 -10.859 1.00 22.95 H new ATOM 0 HG LEU A 96 21.458 22.998 -11.961 1.00 18.70 H new ATOM 0 HD11 LEU A 96 21.600 24.343 -9.989 1.00 23.46 H new ATOM 0 HD12 LEU A 96 21.256 22.842 -9.619 1.00 23.46 H new ATOM 0 HD13 LEU A 96 22.735 23.382 -9.443 1.00 23.46 H new ATOM 0 HD21 LEU A 96 22.806 24.910 -12.007 1.00 26.52 H new ATOM 0 HD22 LEU A 96 24.049 24.029 -11.574 1.00 26.52 H new ATOM 0 HD23 LEU A 96 23.360 23.789 -12.980 1.00 26.52 H new ATOM 677 N PRO A 97 25.263 19.697 -12.694 1.00 22.17 N ATOM 678 CA PRO A 97 26.079 18.503 -12.342 1.00 22.65 C ATOM 679 C PRO A 97 25.878 18.204 -10.848 1.00 22.74 C ATOM 680 O PRO A 97 25.656 19.120 -10.092 1.00 21.27 O ATOM 681 CB PRO A 97 27.527 18.940 -12.583 1.00 22.01 C ATOM 682 CG PRO A 97 27.523 20.400 -12.839 1.00 24.88 C ATOM 683 CD PRO A 97 26.086 20.885 -12.989 1.00 21.91 C ATOM 0 HA PRO A 97 25.843 17.713 -12.853 1.00 22.65 H new ATOM 0 HB2 PRO A 97 28.078 18.732 -11.812 1.00 22.01 H new ATOM 0 HB3 PRO A 97 27.905 18.463 -13.339 1.00 22.01 H new ATOM 0 HG2 PRO A 97 27.958 20.867 -12.109 1.00 24.88 H new ATOM 0 HG3 PRO A 97 28.027 20.599 -13.643 1.00 24.88 H new ATOM 0 HD2 PRO A 97 25.892 21.610 -12.375 1.00 21.91 H new ATOM 0 HD3 PRO A 97 25.917 21.218 -13.884 1.00 21.91 H new ATOM 684 N GLY A 98 25.983 16.944 -10.447 1.00 22.70 N ATOM 685 CA GLY A 98 25.694 16.551 -9.063 1.00 23.25 C ATOM 686 C GLY A 98 26.535 17.299 -8.048 1.00 22.70 C ATOM 687 O GLY A 98 26.053 17.665 -6.989 1.00 23.20 O ATOM 0 H GLY A 98 26.221 16.295 -10.959 1.00 22.70 H new ATOM 0 HA2 GLY A 98 24.755 16.708 -8.877 1.00 23.25 H new ATOM 0 HA3 GLY A 98 25.847 15.598 -8.964 1.00 23.25 H new ATOM 688 N GLU A 99 27.792 17.547 -8.363 1.00 22.42 N ATOM 689 CA GLU A 99 28.698 18.236 -7.452 1.00 22.19 C ATOM 690 C GLU A 99 28.322 19.722 -7.226 1.00 20.54 C ATOM 691 O GLU A 99 28.881 20.385 -6.379 1.00 20.41 O ATOM 692 CB GLU A 99 30.149 18.120 -7.961 1.00 23.13 C ATOM 693 CG GLU A 99 30.377 18.705 -9.338 1.00 28.56 C ATOM 694 CD GLU A 99 30.189 17.706 -10.499 1.00 35.46 C ATOM 695 OE1 GLU A 99 29.381 16.713 -10.443 1.00 36.92 O ATOM 696 OE2 GLU A 99 30.865 17.944 -11.505 1.00 41.30 O ATOM 0 H GLU A 99 28.150 17.322 -9.112 1.00 22.42 H new ATOM 0 HA GLU A 99 28.616 17.798 -6.590 1.00 22.19 H new ATOM 0 HB2 GLU A 99 30.738 18.565 -7.331 1.00 23.13 H new ATOM 0 HB3 GLU A 99 30.402 17.184 -7.973 1.00 23.13 H new ATOM 0 HG2 GLU A 99 29.768 19.449 -9.465 1.00 28.56 H new ATOM 0 HG3 GLU A 99 31.277 19.065 -9.379 1.00 28.56 H new ATOM 697 N ALA A 100 27.355 20.226 -8.009 1.00 20.11 N ATOM 698 CA ALA A 100 26.920 21.619 -7.838 1.00 18.50 C ATOM 699 C ALA A 100 26.304 21.922 -6.450 1.00 19.07 C ATOM 700 O ALA A 100 26.473 23.033 -5.942 1.00 19.36 O ATOM 701 CB ALA A 100 25.880 21.996 -8.935 1.00 19.09 C ATOM 0 H ALA A 100 26.949 19.790 -8.629 1.00 20.11 H new ATOM 0 HA ALA A 100 27.726 22.153 -7.917 1.00 18.50 H new ATOM 0 HB1 ALA A 100 25.600 22.917 -8.813 1.00 19.09 H new ATOM 0 HB2 ALA A 100 26.283 21.895 -9.812 1.00 19.09 H new ATOM 0 HB3 ALA A 100 25.109 21.412 -8.865 1.00 19.09 H new ATOM 702 N TRP A 101 25.609 20.958 -5.878 1.00 19.78 N ATOM 703 CA TRP A 101 24.804 21.143 -4.683 1.00 20.95 C ATOM 704 C TRP A 101 25.684 21.049 -3.451 1.00 21.67 C ATOM 705 O TRP A 101 26.286 19.978 -3.209 1.00 22.45 O ATOM 706 CB TRP A 101 23.750 20.057 -4.586 1.00 20.56 C ATOM 707 CG TRP A 101 22.906 19.893 -5.789 1.00 21.28 C ATOM 708 CD1 TRP A 101 23.028 18.942 -6.781 1.00 20.97 C ATOM 709 CD2 TRP A 101 21.787 20.718 -6.158 1.00 20.24 C ATOM 710 NE1 TRP A 101 22.058 19.131 -7.740 1.00 23.00 N ATOM 711 CE2 TRP A 101 21.277 20.211 -7.391 1.00 19.69 C ATOM 712 CE3 TRP A 101 21.174 21.839 -5.580 1.00 22.96 C ATOM 713 CZ2 TRP A 101 20.172 20.767 -8.033 1.00 21.44 C ATOM 714 CZ3 TRP A 101 20.035 22.394 -6.232 1.00 21.59 C ATOM 715 CH2 TRP A 101 19.575 21.868 -7.450 1.00 22.63 C ATOM 0 H TRP A 101 25.590 20.153 -6.181 1.00 19.78 H new ATOM 0 HA TRP A 101 24.381 22.014 -4.735 1.00 20.95 H new ATOM 0 HB2 TRP A 101 24.191 19.213 -4.400 1.00 20.56 H new ATOM 0 HB3 TRP A 101 23.175 20.250 -3.829 1.00 20.56 H new ATOM 0 HD1 TRP A 101 23.672 18.271 -6.799 1.00 20.97 H new ATOM 0 HE1 TRP A 101 21.956 18.650 -8.446 1.00 23.00 H new ATOM 0 HE3 TRP A 101 21.502 22.210 -4.793 1.00 22.96 H new ATOM 0 HZ2 TRP A 101 19.847 20.409 -8.827 1.00 21.44 H new ATOM 0 HZ3 TRP A 101 19.591 23.114 -5.846 1.00 21.59 H new ATOM 0 HH2 TRP A 101 18.852 22.270 -7.874 1.00 22.63 H new ATOM 716 N ARG A 102 25.726 22.125 -2.652 1.00 20.58 N ATOM 717 CA ARG A 102 26.545 22.153 -1.416 1.00 20.86 C ATOM 718 C ARG A 102 25.762 22.573 -0.165 1.00 20.73 C ATOM 719 O ARG A 102 26.052 23.636 0.423 1.00 21.37 O ATOM 720 CB ARG A 102 27.842 22.981 -1.597 1.00 20.41 C ATOM 721 CG ARG A 102 28.743 22.531 -2.768 1.00 23.20 C ATOM 722 CD ARG A 102 29.328 21.116 -2.542 1.00 25.27 C ATOM 723 NE ARG A 102 30.003 21.123 -1.235 1.00 32.33 N ATOM 724 CZ ARG A 102 31.269 21.564 -1.043 1.00 36.57 C ATOM 725 NH1 ARG A 102 32.008 21.996 -2.076 1.00 41.15 N ATOM 726 NH2 ARG A 102 31.783 21.603 0.180 1.00 39.23 N ATOM 0 H ARG A 102 25.290 22.851 -2.803 1.00 20.58 H new ATOM 0 HA ARG A 102 26.808 21.233 -1.259 1.00 20.86 H new ATOM 0 HB2 ARG A 102 27.600 23.911 -1.731 1.00 20.41 H new ATOM 0 HB3 ARG A 102 28.356 22.937 -0.775 1.00 20.41 H new ATOM 0 HG2 ARG A 102 28.230 22.540 -3.591 1.00 23.20 H new ATOM 0 HG3 ARG A 102 29.468 23.166 -2.879 1.00 23.20 H new ATOM 0 HD2 ARG A 102 28.624 20.449 -2.559 1.00 25.27 H new ATOM 0 HD3 ARG A 102 29.953 20.888 -3.248 1.00 25.27 H new ATOM 0 HE ARG A 102 29.568 20.830 -0.553 1.00 32.33 H new ATOM 0 HH11 ARG A 102 31.679 21.995 -2.870 1.00 41.15 H new ATOM 0 HH12 ARG A 102 32.811 22.274 -1.944 1.00 41.15 H new ATOM 0 HH21 ARG A 102 31.312 21.348 0.853 1.00 39.23 H new ATOM 0 HH22 ARG A 102 32.587 21.883 0.300 1.00 39.23 H new ATOM 727 N PRO A 103 24.746 21.775 0.228 1.00 20.61 N ATOM 728 CA PRO A 103 23.926 22.060 1.401 1.00 21.48 C ATOM 729 C PRO A 103 24.799 22.107 2.695 1.00 22.02 C ATOM 730 O PRO A 103 24.394 22.707 3.690 1.00 22.57 O ATOM 731 CB PRO A 103 22.917 20.887 1.453 1.00 21.52 C ATOM 732 CG PRO A 103 23.520 19.782 0.634 1.00 20.62 C ATOM 733 CD PRO A 103 24.393 20.481 -0.392 1.00 22.17 C ATOM 0 HA PRO A 103 23.487 22.923 1.346 1.00 21.48 H new ATOM 0 HB2 PRO A 103 22.767 20.599 2.367 1.00 21.52 H new ATOM 0 HB3 PRO A 103 22.056 21.154 1.095 1.00 21.52 H new ATOM 0 HG2 PRO A 103 24.042 19.180 1.187 1.00 20.62 H new ATOM 0 HG3 PRO A 103 22.833 19.248 0.205 1.00 20.62 H new ATOM 0 HD2 PRO A 103 25.186 19.959 -0.593 1.00 22.17 H new ATOM 0 HD3 PRO A 103 23.919 20.610 -1.228 1.00 22.17 H new ATOM 734 N ASP A 104 25.974 21.482 2.633 1.00 24.25 N ATOM 735 CA ASP A 104 26.962 21.462 3.699 1.00 25.49 C ATOM 736 C ASP A 104 27.542 22.853 3.910 1.00 24.47 C ATOM 737 O ASP A 104 27.519 23.342 5.022 1.00 23.18 O ATOM 738 CB ASP A 104 28.053 20.409 3.422 1.00 27.18 C ATOM 739 CG ASP A 104 28.813 20.641 2.109 1.00 30.53 C ATOM 740 OD1 ASP A 104 28.143 20.819 1.046 1.00 30.89 O ATOM 741 OD2 ASP A 104 30.071 20.660 2.034 1.00 36.01 O ATOM 0 H ASP A 104 26.223 21.041 1.938 1.00 24.25 H new ATOM 0 HA ASP A 104 26.525 21.201 4.525 1.00 25.49 H new ATOM 0 HB2 ASP A 104 28.686 20.409 4.157 1.00 27.18 H new ATOM 0 HB3 ASP A 104 27.644 19.530 3.399 1.00 27.18 H new ATOM 742 N GLU A 105 27.958 23.518 2.826 1.00 22.38 N ATOM 743 CA GLU A 105 28.372 24.929 2.895 1.00 22.02 C ATOM 744 C GLU A 105 27.242 25.849 3.342 1.00 20.32 C ATOM 745 O GLU A 105 27.477 26.797 4.086 1.00 19.70 O ATOM 746 CB GLU A 105 28.953 25.386 1.557 1.00 22.02 C ATOM 747 CG GLU A 105 30.300 24.749 1.231 1.00 26.72 C ATOM 748 CD GLU A 105 30.940 25.304 -0.009 1.00 32.36 C ATOM 749 OE1 GLU A 105 30.226 25.613 -1.000 1.00 29.36 O ATOM 750 OE2 GLU A 105 32.182 25.431 0.005 1.00 32.39 O ATOM 0 H GLU A 105 28.008 23.171 2.041 1.00 22.38 H new ATOM 0 HA GLU A 105 29.064 24.989 3.572 1.00 22.02 H new ATOM 0 HB2 GLU A 105 28.324 25.175 0.850 1.00 22.02 H new ATOM 0 HB3 GLU A 105 29.054 26.351 1.568 1.00 22.02 H new ATOM 0 HG2 GLU A 105 30.901 24.877 1.982 1.00 26.72 H new ATOM 0 HG3 GLU A 105 30.180 23.792 1.124 1.00 26.72 H new ATOM 751 N LEU A 106 26.012 25.567 2.907 1.00 18.54 N ATOM 752 CA LEU A 106 24.854 26.339 3.369 1.00 18.37 C ATOM 753 C LEU A 106 24.737 26.190 4.895 1.00 19.00 C ATOM 754 O LEU A 106 24.568 27.154 5.600 1.00 16.63 O ATOM 755 CB LEU A 106 23.559 25.832 2.708 1.00 18.94 C ATOM 756 CG LEU A 106 22.223 26.393 3.197 1.00 16.40 C ATOM 757 CD1 LEU A 106 22.216 27.930 3.128 1.00 19.31 C ATOM 758 CD2 LEU A 106 21.115 25.762 2.325 1.00 16.92 C ATOM 0 H LEU A 106 25.827 24.939 2.350 1.00 18.54 H new ATOM 0 HA LEU A 106 24.979 27.270 3.127 1.00 18.37 H new ATOM 0 HB2 LEU A 106 23.624 26.011 1.757 1.00 18.94 H new ATOM 0 HB3 LEU A 106 23.531 24.868 2.814 1.00 18.94 H new ATOM 0 HG LEU A 106 22.071 26.169 4.128 1.00 16.40 H new ATOM 0 HD11 LEU A 106 21.361 28.264 3.442 1.00 19.31 H new ATOM 0 HD12 LEU A 106 22.926 28.282 3.687 1.00 19.31 H new ATOM 0 HD13 LEU A 106 22.357 28.214 2.211 1.00 19.31 H new ATOM 0 HD21 LEU A 106 20.250 26.097 2.608 1.00 16.92 H new ATOM 0 HD22 LEU A 106 21.263 25.995 1.395 1.00 16.92 H new ATOM 0 HD23 LEU A 106 21.136 24.797 2.423 1.00 16.92 H new ATOM 759 N ARG A 107 24.799 24.948 5.362 1.00 20.09 N ATOM 760 CA ARG A 107 24.593 24.698 6.791 1.00 21.61 C ATOM 761 C ARG A 107 25.639 25.396 7.620 1.00 22.10 C ATOM 762 O ARG A 107 25.304 25.973 8.639 1.00 21.50 O ATOM 763 CB ARG A 107 24.567 23.212 7.037 1.00 22.84 C ATOM 764 CG ARG A 107 23.188 22.573 6.788 1.00 25.10 C ATOM 765 CD ARG A 107 23.251 21.017 6.909 1.00 25.06 C ATOM 766 NE ARG A 107 21.994 20.327 6.571 1.00 30.09 N ATOM 767 CZ ARG A 107 20.954 20.172 7.386 1.00 32.38 C ATOM 768 NH1 ARG A 107 20.968 20.678 8.627 1.00 34.03 N ATOM 769 NH2 ARG A 107 19.864 19.524 6.954 1.00 31.72 N ATOM 0 H ARG A 107 24.955 24.250 4.885 1.00 20.09 H new ATOM 0 HA ARG A 107 23.738 25.066 7.064 1.00 21.61 H new ATOM 0 HB2 ARG A 107 25.222 22.785 6.463 1.00 22.84 H new ATOM 0 HB3 ARG A 107 24.836 23.038 7.953 1.00 22.84 H new ATOM 0 HG2 ARG A 107 22.547 22.923 7.427 1.00 25.10 H new ATOM 0 HG3 ARG A 107 22.871 22.818 5.905 1.00 25.10 H new ATOM 0 HD2 ARG A 107 23.954 20.687 6.328 1.00 25.06 H new ATOM 0 HD3 ARG A 107 23.500 20.784 7.817 1.00 25.06 H new ATOM 0 HE ARG A 107 21.927 19.996 5.780 1.00 30.09 H new ATOM 0 HH11 ARG A 107 21.656 21.111 8.907 1.00 34.03 H new ATOM 0 HH12 ARG A 107 20.289 20.570 9.143 1.00 34.03 H new ATOM 0 HH21 ARG A 107 19.839 19.211 6.153 1.00 31.72 H new ATOM 0 HH22 ARG A 107 19.189 19.421 7.477 1.00 31.72 H new ATOM 770 N ARG A 108 26.884 25.407 7.163 1.00 21.94 N ATOM 771 CA ARG A 108 27.952 26.154 7.867 1.00 24.09 C ATOM 772 C ARG A 108 27.689 27.654 7.958 1.00 21.70 C ATOM 773 O ARG A 108 27.933 28.274 8.983 1.00 20.31 O ATOM 774 CB ARG A 108 29.301 25.926 7.223 1.00 22.58 C ATOM 775 CG ARG A 108 29.790 24.509 7.400 1.00 29.03 C ATOM 776 CD ARG A 108 30.942 24.089 6.438 1.00 29.52 C ATOM 777 NE ARG A 108 32.100 24.981 6.452 1.00 37.65 N ATOM 778 CZ ARG A 108 32.600 25.588 5.373 1.00 43.39 C ATOM 779 NH1 ARG A 108 32.031 25.395 4.177 1.00 45.98 N ATOM 780 NH2 ARG A 108 33.667 26.392 5.483 1.00 43.45 N ATOM 0 H ARG A 108 27.142 24.995 6.453 1.00 21.94 H new ATOM 0 HA ARG A 108 27.953 25.802 8.771 1.00 24.09 H new ATOM 0 HB2 ARG A 108 29.243 26.130 6.276 1.00 22.58 H new ATOM 0 HB3 ARG A 108 29.948 26.539 7.606 1.00 22.58 H new ATOM 0 HG2 ARG A 108 30.093 24.397 8.315 1.00 29.03 H new ATOM 0 HG3 ARG A 108 29.043 23.904 7.272 1.00 29.03 H new ATOM 0 HD2 ARG A 108 31.234 23.195 6.673 1.00 29.52 H new ATOM 0 HD3 ARG A 108 30.593 24.045 5.534 1.00 29.52 H new ATOM 0 HE ARG A 108 32.486 25.125 7.207 1.00 37.65 H new ATOM 0 HH11 ARG A 108 31.345 24.881 4.105 1.00 45.98 H new ATOM 0 HH12 ARG A 108 32.351 25.785 3.481 1.00 45.98 H new ATOM 0 HH21 ARG A 108 34.033 26.519 6.251 1.00 43.45 H new ATOM 0 HH22 ARG A 108 33.986 26.781 4.786 1.00 43.45 H new ATOM 781 N LYS A 109 27.178 28.234 6.868 1.00 18.64 N ATOM 782 CA LYS A 109 26.792 29.609 6.874 1.00 16.80 C ATOM 783 C LYS A 109 25.643 29.879 7.882 1.00 17.24 C ATOM 784 O LYS A 109 25.615 30.894 8.515 1.00 17.99 O ATOM 785 CB LYS A 109 26.395 30.041 5.451 1.00 16.80 C ATOM 786 CG LYS A 109 27.575 30.052 4.465 1.00 15.51 C ATOM 787 CD LYS A 109 27.055 30.131 3.012 1.00 16.63 C ATOM 788 CE LYS A 109 28.147 29.817 2.068 1.00 16.46 C ATOM 789 NZ LYS A 109 27.652 29.785 0.617 1.00 15.53 N ATOM 0 H LYS A 109 27.053 27.830 6.119 1.00 18.64 H new ATOM 0 HA LYS A 109 27.551 30.139 7.165 1.00 16.80 H new ATOM 0 HB2 LYS A 109 25.709 29.441 5.118 1.00 16.80 H new ATOM 0 HB3 LYS A 109 26.004 30.928 5.487 1.00 16.80 H new ATOM 0 HG2 LYS A 109 28.153 30.809 4.650 1.00 15.51 H new ATOM 0 HG3 LYS A 109 28.110 29.251 4.581 1.00 15.51 H new ATOM 0 HD2 LYS A 109 26.321 29.509 2.889 1.00 16.63 H new ATOM 0 HD3 LYS A 109 26.707 31.019 2.833 1.00 16.63 H new ATOM 0 HE2 LYS A 109 28.851 30.479 2.155 1.00 16.46 H new ATOM 0 HE3 LYS A 109 28.535 28.958 2.297 1.00 16.46 H new ATOM 0 HZ1 LYS A 109 28.314 29.523 0.083 1.00 15.53 H new ATOM 0 HZ2 LYS A 109 26.972 29.215 0.548 1.00 15.53 H new ATOM 0 HZ3 LYS A 109 27.382 30.598 0.377 1.00 15.53 H new ATOM 790 N VAL A 110 24.637 29.007 7.913 1.00 17.68 N ATOM 791 CA VAL A 110 23.494 29.225 8.765 1.00 19.31 C ATOM 792 C VAL A 110 23.942 29.206 10.240 1.00 20.52 C ATOM 793 O VAL A 110 23.462 29.993 11.038 1.00 20.55 O ATOM 794 CB VAL A 110 22.421 28.188 8.507 1.00 19.56 C ATOM 795 CG1 VAL A 110 21.295 28.314 9.520 1.00 18.39 C ATOM 796 CG2 VAL A 110 21.834 28.404 7.102 1.00 18.55 C ATOM 0 H VAL A 110 24.605 28.286 7.445 1.00 17.68 H new ATOM 0 HA VAL A 110 23.111 30.093 8.565 1.00 19.31 H new ATOM 0 HB VAL A 110 22.822 27.308 8.581 1.00 19.56 H new ATOM 0 HG11 VAL A 110 20.619 27.642 9.338 1.00 18.39 H new ATOM 0 HG12 VAL A 110 21.648 28.183 10.414 1.00 18.39 H new ATOM 0 HG13 VAL A 110 20.899 29.197 9.455 1.00 18.39 H new ATOM 0 HG21 VAL A 110 21.146 27.741 6.933 1.00 18.55 H new ATOM 0 HG22 VAL A 110 21.448 29.292 7.045 1.00 18.55 H new ATOM 0 HG23 VAL A 110 22.537 28.315 6.440 1.00 18.55 H new ATOM 797 N GLU A 111 24.868 28.311 10.524 1.00 21.95 N ATOM 798 CA GLU A 111 25.401 28.110 11.890 1.00 24.13 C ATOM 799 C GLU A 111 26.182 29.346 12.302 1.00 24.14 C ATOM 800 O GLU A 111 26.146 29.758 13.453 1.00 24.62 O ATOM 801 CB GLU A 111 26.326 26.893 11.930 1.00 24.21 C ATOM 802 CG GLU A 111 27.097 26.752 13.265 1.00 29.28 C ATOM 803 CD GLU A 111 26.205 26.809 14.511 1.00 34.89 C ATOM 804 OE1 GLU A 111 25.074 26.253 14.491 1.00 33.99 O ATOM 805 OE2 GLU A 111 26.630 27.409 15.538 1.00 36.16 O ATOM 0 H GLU A 111 25.218 27.791 9.935 1.00 21.95 H new ATOM 0 HA GLU A 111 24.661 27.960 12.500 1.00 24.13 H new ATOM 0 HB2 GLU A 111 25.801 26.091 11.781 1.00 24.21 H new ATOM 0 HB3 GLU A 111 26.963 26.955 11.201 1.00 24.21 H new ATOM 0 HG2 GLU A 111 27.579 25.910 13.262 1.00 29.28 H new ATOM 0 HG3 GLU A 111 27.760 27.458 13.321 1.00 29.28 H new ATOM 806 N HIS A 112 26.943 29.878 11.353 1.00 24.44 N ATOM 807 CA HIS A 112 27.733 31.070 11.582 1.00 23.16 C ATOM 808 C HIS A 112 26.887 32.328 11.748 1.00 22.83 C ATOM 809 O HIS A 112 26.986 33.038 12.767 1.00 23.66 O ATOM 810 CB HIS A 112 28.815 31.229 10.491 1.00 23.47 C ATOM 811 CG HIS A 112 29.609 32.482 10.654 1.00 25.70 C ATOM 812 ND1 HIS A 112 30.639 32.597 11.576 1.00 28.06 N ATOM 813 CD2 HIS A 112 29.462 33.707 10.104 1.00 26.87 C ATOM 814 CE1 HIS A 112 31.114 33.830 11.544 1.00 28.05 C ATOM 815 NE2 HIS A 112 30.427 34.516 10.649 1.00 27.35 N ATOM 0 H HIS A 112 27.013 29.555 10.559 1.00 24.44 H new ATOM 0 HA HIS A 112 28.183 30.952 12.433 1.00 23.16 H new ATOM 0 HB2 HIS A 112 29.412 30.465 10.518 1.00 23.47 H new ATOM 0 HB3 HIS A 112 28.393 31.228 9.618 1.00 23.47 H new ATOM 0 HD2 HIS A 112 28.825 33.956 9.473 1.00 26.87 H new ATOM 0 HE1 HIS A 112 31.812 34.158 12.063 1.00 28.05 H new ATOM 0 HE2 HIS A 112 30.563 35.339 10.441 1.00 27.35 H new ATOM 816 N TYR A 113 26.007 32.625 10.784 1.00 19.52 N ATOM 817 CA TYR A 113 25.251 33.880 10.777 1.00 18.72 C ATOM 818 C TYR A 113 23.950 33.854 11.601 1.00 18.01 C ATOM 819 O TYR A 113 23.421 34.916 11.934 1.00 18.30 O ATOM 820 CB TYR A 113 24.910 34.206 9.325 1.00 18.73 C ATOM 821 CG TYR A 113 26.121 34.541 8.512 1.00 17.18 C ATOM 822 CD1 TYR A 113 26.804 35.754 8.749 1.00 17.58 C ATOM 823 CD2 TYR A 113 26.581 33.688 7.487 1.00 15.51 C ATOM 824 CE1 TYR A 113 27.938 36.079 7.993 1.00 22.26 C ATOM 825 CE2 TYR A 113 27.706 34.021 6.739 1.00 16.99 C ATOM 826 CZ TYR A 113 28.354 35.205 6.989 1.00 19.07 C ATOM 827 OH TYR A 113 29.477 35.586 6.264 1.00 21.90 O ATOM 0 H TYR A 113 25.834 32.106 10.120 1.00 19.52 H new ATOM 0 HA TYR A 113 25.813 34.551 11.195 1.00 18.72 H new ATOM 0 HB2 TYR A 113 24.455 33.448 8.925 1.00 18.73 H new ATOM 0 HB3 TYR A 113 24.292 34.953 9.301 1.00 18.73 H new ATOM 0 HD1 TYR A 113 26.501 36.337 9.407 1.00 17.58 H new ATOM 0 HD2 TYR A 113 26.128 32.895 7.309 1.00 15.51 H new ATOM 0 HE1 TYR A 113 28.406 36.865 8.158 1.00 22.26 H new ATOM 0 HE2 TYR A 113 28.016 33.447 6.076 1.00 16.99 H new ATOM 0 HH TYR A 113 29.796 34.917 5.869 1.00 21.90 H new ATOM 828 N ARG A 114 23.430 32.648 11.880 1.00 18.69 N ATOM 829 CA ARG A 114 22.245 32.551 12.755 1.00 19.84 C ATOM 830 C ARG A 114 21.062 33.472 12.361 1.00 19.55 C ATOM 831 O ARG A 114 20.490 34.175 13.197 1.00 17.98 O ATOM 832 CB ARG A 114 22.657 32.832 14.222 1.00 21.23 C ATOM 833 CG ARG A 114 23.674 31.862 14.774 1.00 25.07 C ATOM 834 CD ARG A 114 23.223 30.417 14.774 1.00 30.00 C ATOM 835 NE ARG A 114 24.197 29.527 15.406 1.00 33.12 N ATOM 836 CZ ARG A 114 24.335 29.372 16.739 1.00 37.56 C ATOM 837 NH1 ARG A 114 23.561 30.032 17.586 1.00 39.16 N ATOM 838 NH2 ARG A 114 25.264 28.553 17.229 1.00 39.58 N ATOM 0 H ARG A 114 23.734 31.899 11.586 1.00 18.69 H new ATOM 0 HA ARG A 114 21.916 31.645 12.647 1.00 19.84 H new ATOM 0 HB2 ARG A 114 23.017 33.731 14.280 1.00 21.23 H new ATOM 0 HB3 ARG A 114 21.864 32.807 14.781 1.00 21.23 H new ATOM 0 HG2 ARG A 114 24.490 31.935 14.254 1.00 25.07 H new ATOM 0 HG3 ARG A 114 23.892 32.121 15.683 1.00 25.07 H new ATOM 0 HD2 ARG A 114 22.375 30.346 15.239 1.00 30.00 H new ATOM 0 HD3 ARG A 114 23.071 30.129 13.860 1.00 30.00 H new ATOM 0 HE ARG A 114 24.716 29.072 14.893 1.00 33.12 H new ATOM 0 HH11 ARG A 114 22.959 30.569 17.289 1.00 39.16 H new ATOM 0 HH12 ARG A 114 23.660 29.923 18.433 1.00 39.16 H new ATOM 0 HH21 ARG A 114 25.780 28.119 16.695 1.00 39.58 H new ATOM 0 HH22 ARG A 114 25.348 28.458 18.080 1.00 39.58 H new ATOM 839 N PRO A 115 20.622 33.459 11.094 1.00 18.57 N ATOM 840 CA PRO A 115 19.428 34.258 10.735 1.00 17.85 C ATOM 841 C PRO A 115 18.181 33.723 11.485 1.00 17.02 C ATOM 842 O PRO A 115 18.184 32.534 11.863 1.00 17.51 O ATOM 843 CB PRO A 115 19.287 34.005 9.227 1.00 18.09 C ATOM 844 CG PRO A 115 19.900 32.630 9.039 1.00 18.46 C ATOM 845 CD PRO A 115 21.105 32.610 9.994 1.00 19.49 C ATOM 0 HA PRO A 115 19.508 35.197 10.964 1.00 17.85 H new ATOM 0 HB2 PRO A 115 18.358 34.023 8.947 1.00 18.09 H new ATOM 0 HB3 PRO A 115 19.753 34.678 8.707 1.00 18.09 H new ATOM 0 HG2 PRO A 115 19.266 31.928 9.256 1.00 18.46 H new ATOM 0 HG3 PRO A 115 20.176 32.489 8.120 1.00 18.46 H new ATOM 0 HD2 PRO A 115 21.319 31.712 10.293 1.00 19.49 H new ATOM 0 HD3 PRO A 115 21.905 32.969 9.580 1.00 19.49 H new ATOM 846 N ARG A 116 17.158 34.553 11.680 1.00 17.32 N ATOM 847 CA ARG A 116 15.949 34.077 12.417 1.00 17.40 C ATOM 848 C ARG A 116 15.172 33.042 11.586 1.00 17.33 C ATOM 849 O ARG A 116 14.567 32.115 12.156 1.00 18.22 O ATOM 850 CB ARG A 116 15.045 35.240 12.822 1.00 17.05 C ATOM 851 CG ARG A 116 15.663 36.216 13.910 1.00 17.78 C ATOM 852 CD ARG A 116 16.282 35.525 15.141 1.00 19.06 C ATOM 853 NE ARG A 116 15.432 34.487 15.686 1.00 19.31 N ATOM 854 CZ ARG A 116 14.378 34.709 16.483 1.00 21.29 C ATOM 855 NH1 ARG A 116 14.058 35.967 16.856 1.00 20.29 N ATOM 856 NH2 ARG A 116 13.632 33.665 16.872 1.00 20.33 N ATOM 0 H ARG A 116 17.127 35.369 11.411 1.00 17.32 H new ATOM 0 HA ARG A 116 16.254 33.646 13.231 1.00 17.40 H new ATOM 0 HB2 ARG A 116 14.828 35.756 12.030 1.00 17.05 H new ATOM 0 HB3 ARG A 116 14.211 34.881 13.164 1.00 17.05 H new ATOM 0 HG2 ARG A 116 16.345 36.759 13.485 1.00 17.78 H new ATOM 0 HG3 ARG A 116 14.967 36.820 14.213 1.00 17.78 H new ATOM 0 HD2 ARG A 116 17.138 35.141 14.895 1.00 19.06 H new ATOM 0 HD3 ARG A 116 16.455 36.189 15.827 1.00 19.06 H new ATOM 0 HE ARG A 116 15.616 33.672 15.484 1.00 19.31 H new ATOM 0 HH11 ARG A 116 14.532 36.630 16.582 1.00 20.29 H new ATOM 0 HH12 ARG A 116 13.381 36.105 17.368 1.00 20.29 H new ATOM 0 HH21 ARG A 116 13.834 32.871 16.610 1.00 20.33 H new ATOM 0 HH22 ARG A 116 12.952 33.789 17.384 1.00 20.33 H new ATOM 857 N ILE A 117 15.209 33.205 10.256 1.00 17.12 N ATOM 858 CA ILE A 117 14.472 32.310 9.354 1.00 16.10 C ATOM 859 C ILE A 117 15.365 31.973 8.177 1.00 16.22 C ATOM 860 O ILE A 117 16.092 32.859 7.700 1.00 15.51 O ATOM 861 CB ILE A 117 13.182 32.946 8.828 1.00 18.05 C ATOM 862 CG1 ILE A 117 12.248 33.379 10.010 1.00 17.03 C ATOM 863 CG2 ILE A 117 12.493 31.930 7.893 1.00 17.15 C ATOM 864 CD1 ILE A 117 11.251 34.402 9.568 1.00 19.50 C ATOM 0 H ILE A 117 15.653 33.825 9.859 1.00 17.12 H new ATOM 0 HA ILE A 117 14.226 31.516 9.855 1.00 16.10 H new ATOM 0 HB ILE A 117 13.385 33.754 8.330 1.00 18.05 H new ATOM 0 HG12 ILE A 117 11.784 32.602 10.360 1.00 17.03 H new ATOM 0 HG13 ILE A 117 12.784 33.739 10.734 1.00 17.03 H new ATOM 0 HG21 ILE A 117 11.672 32.313 7.548 1.00 17.15 H new ATOM 0 HG22 ILE A 117 13.085 31.716 7.155 1.00 17.15 H new ATOM 0 HG23 ILE A 117 12.289 31.121 8.388 1.00 17.15 H new ATOM 0 HD11 ILE A 117 10.688 34.651 10.318 1.00 19.50 H new ATOM 0 HD12 ILE A 117 11.717 35.187 9.239 1.00 19.50 H new ATOM 0 HD13 ILE A 117 10.701 34.033 8.860 1.00 19.50 H new ATOM 865 N VAL A 118 15.380 30.689 7.796 1.00 14.34 N ATOM 866 CA VAL A 118 15.906 30.299 6.459 1.00 14.46 C ATOM 867 C VAL A 118 14.695 29.834 5.644 1.00 14.36 C ATOM 868 O VAL A 118 14.016 28.905 6.067 1.00 14.86 O ATOM 869 CB VAL A 118 16.981 29.188 6.583 1.00 15.87 C ATOM 870 CG1 VAL A 118 17.396 28.642 5.138 1.00 13.16 C ATOM 871 CG2 VAL A 118 18.188 29.789 7.255 1.00 14.90 C ATOM 0 H VAL A 118 15.099 30.035 8.279 1.00 14.34 H new ATOM 0 HA VAL A 118 16.348 31.043 6.021 1.00 14.46 H new ATOM 0 HB VAL A 118 16.629 28.446 7.098 1.00 15.87 H new ATOM 0 HG11 VAL A 118 18.068 27.949 5.234 1.00 13.16 H new ATOM 0 HG12 VAL A 118 16.615 28.275 4.694 1.00 13.16 H new ATOM 0 HG13 VAL A 118 17.757 29.370 4.608 1.00 13.16 H new ATOM 0 HG21 VAL A 118 18.878 29.113 7.345 1.00 14.90 H new ATOM 0 HG22 VAL A 118 18.524 30.524 6.719 1.00 14.90 H new ATOM 0 HG23 VAL A 118 17.940 30.117 8.134 1.00 14.90 H new ATOM 872 N ALA A 119 14.418 30.482 4.507 1.00 15.22 N ATOM 873 CA ALA A 119 13.234 30.098 3.713 1.00 13.96 C ATOM 874 C ALA A 119 13.745 29.667 2.329 1.00 14.50 C ATOM 875 O ALA A 119 14.387 30.448 1.637 1.00 13.67 O ATOM 876 CB ALA A 119 12.224 31.229 3.588 1.00 13.69 C ATOM 0 H ALA A 119 14.884 31.128 4.182 1.00 15.22 H new ATOM 0 HA ALA A 119 12.764 29.375 4.158 1.00 13.96 H new ATOM 0 HB1 ALA A 119 11.467 30.930 3.060 1.00 13.69 H new ATOM 0 HB2 ALA A 119 11.919 31.490 4.471 1.00 13.69 H new ATOM 0 HB3 ALA A 119 12.641 31.989 3.153 1.00 13.69 H new ATOM 877 N PHE A 120 13.588 28.378 2.018 1.00 12.52 N ATOM 878 CA PHE A 120 13.903 27.876 0.667 1.00 13.84 C ATOM 879 C PHE A 120 12.871 28.397 -0.310 1.00 15.13 C ATOM 880 O PHE A 120 11.652 28.348 -0.042 1.00 15.28 O ATOM 881 CB PHE A 120 13.957 26.340 0.629 1.00 15.71 C ATOM 882 CG PHE A 120 15.082 25.803 1.462 1.00 16.60 C ATOM 883 CD1 PHE A 120 16.358 25.679 0.898 1.00 19.65 C ATOM 884 CD2 PHE A 120 14.913 25.568 2.830 1.00 16.39 C ATOM 885 CE1 PHE A 120 17.449 25.240 1.634 1.00 16.88 C ATOM 886 CE2 PHE A 120 16.027 25.123 3.577 1.00 20.67 C ATOM 887 CZ PHE A 120 17.267 24.957 2.975 1.00 17.46 C ATOM 0 H PHE A 120 13.303 27.779 2.566 1.00 12.52 H new ATOM 0 HA PHE A 120 14.783 28.198 0.416 1.00 13.84 H new ATOM 0 HB2 PHE A 120 13.116 25.979 0.949 1.00 15.71 H new ATOM 0 HB3 PHE A 120 14.063 26.042 -0.288 1.00 15.71 H new ATOM 0 HD1 PHE A 120 16.478 25.898 0.002 1.00 19.65 H new ATOM 0 HD2 PHE A 120 14.088 25.701 3.238 1.00 16.39 H new ATOM 0 HE1 PHE A 120 18.283 25.139 1.235 1.00 16.88 H new ATOM 0 HE2 PHE A 120 15.928 24.939 4.483 1.00 20.67 H new ATOM 0 HZ PHE A 120 17.985 24.651 3.481 1.00 17.46 H new ATOM 888 N THR A 121 13.342 28.969 -1.411 1.00 12.61 N ATOM 889 CA THR A 121 12.403 29.545 -2.419 1.00 14.15 C ATOM 890 C THR A 121 11.917 28.519 -3.438 1.00 14.38 C ATOM 891 O THR A 121 11.336 28.880 -4.448 1.00 15.82 O ATOM 892 CB THR A 121 13.049 30.751 -3.145 1.00 14.70 C ATOM 893 OG1 THR A 121 14.227 30.278 -3.867 1.00 15.02 O ATOM 894 CG2 THR A 121 13.573 31.775 -2.076 1.00 13.26 C ATOM 0 H THR A 121 14.176 29.042 -1.606 1.00 12.61 H new ATOM 0 HA THR A 121 11.624 29.844 -1.925 1.00 14.15 H new ATOM 0 HB THR A 121 12.396 31.158 -3.736 1.00 14.70 H new ATOM 0 HG1 THR A 121 14.733 30.927 -4.034 1.00 15.02 H new ATOM 0 HG21 THR A 121 13.979 32.533 -2.525 1.00 13.26 H new ATOM 0 HG22 THR A 121 12.832 32.082 -1.531 1.00 13.26 H new ATOM 0 HG23 THR A 121 14.233 31.344 -1.511 1.00 13.26 H new ATOM 895 N SER A 122 12.221 27.259 -3.200 1.00 13.70 N ATOM 896 CA SER A 122 11.599 26.163 -3.963 1.00 16.37 C ATOM 897 C SER A 122 11.690 24.868 -3.168 1.00 17.09 C ATOM 898 O SER A 122 12.560 24.682 -2.320 1.00 18.37 O ATOM 899 CB SER A 122 12.286 25.983 -5.327 1.00 17.39 C ATOM 900 OG SER A 122 13.646 25.599 -5.111 1.00 16.77 O ATOM 0 H SER A 122 12.784 27.004 -2.603 1.00 13.70 H new ATOM 0 HA SER A 122 10.668 26.387 -4.117 1.00 16.37 H new ATOM 0 HB2 SER A 122 11.825 25.307 -5.849 1.00 17.39 H new ATOM 0 HB3 SER A 122 12.247 26.809 -5.834 1.00 17.39 H new ATOM 0 HG SER A 122 13.886 25.837 -4.342 1.00 16.77 H new ATOM 901 N LYS A 123 10.768 23.948 -3.426 1.00 18.43 N ATOM 902 CA LYS A 123 10.954 22.599 -2.890 1.00 18.61 C ATOM 903 C LYS A 123 12.297 21.931 -3.187 1.00 18.67 C ATOM 904 O LYS A 123 12.879 21.327 -2.300 1.00 19.07 O ATOM 905 CB LYS A 123 9.806 21.717 -3.382 1.00 19.19 C ATOM 906 CG LYS A 123 8.497 22.196 -2.844 1.00 19.92 C ATOM 907 CD LYS A 123 7.590 20.956 -2.702 1.00 23.28 C ATOM 908 CE LYS A 123 6.210 21.383 -2.275 1.00 23.75 C ATOM 909 NZ LYS A 123 5.362 20.145 -2.154 1.00 28.92 N ATOM 0 H LYS A 123 10.054 24.072 -3.889 1.00 18.43 H new ATOM 0 HA LYS A 123 10.954 22.700 -1.925 1.00 18.61 H new ATOM 0 HB2 LYS A 123 9.782 21.721 -4.352 1.00 19.19 H new ATOM 0 HB3 LYS A 123 9.957 20.799 -3.106 1.00 19.19 H new ATOM 0 HG2 LYS A 123 8.617 22.634 -1.987 1.00 19.92 H new ATOM 0 HG3 LYS A 123 8.098 22.847 -3.442 1.00 19.92 H new ATOM 0 HD2 LYS A 123 7.544 20.480 -3.546 1.00 23.28 H new ATOM 0 HD3 LYS A 123 7.965 20.343 -2.050 1.00 23.28 H new ATOM 0 HE2 LYS A 123 6.247 21.854 -1.428 1.00 23.75 H new ATOM 0 HE3 LYS A 123 5.828 21.995 -2.923 1.00 23.75 H new ATOM 0 HZ1 LYS A 123 4.528 20.330 -2.405 1.00 28.92 H new ATOM 0 HZ2 LYS A 123 5.694 19.506 -2.677 1.00 28.92 H new ATOM 0 HZ3 LYS A 123 5.362 19.866 -1.309 1.00 28.92 H new ATOM 910 N ARG A 124 12.807 22.057 -4.419 1.00 18.11 N ATOM 911 CA ARG A 124 14.043 21.415 -4.776 1.00 17.76 C ATOM 912 C ARG A 124 15.249 21.803 -3.913 1.00 17.33 C ATOM 913 O ARG A 124 16.030 20.942 -3.507 1.00 18.60 O ATOM 914 CB ARG A 124 14.361 21.730 -6.251 1.00 16.57 C ATOM 915 CG ARG A 124 15.632 21.007 -6.757 1.00 20.18 C ATOM 916 CD ARG A 124 15.542 19.477 -6.637 1.00 16.86 C ATOM 917 NE ARG A 124 16.803 18.784 -7.031 1.00 21.52 N ATOM 918 CZ ARG A 124 17.099 18.336 -8.269 1.00 22.94 C ATOM 919 NH1 ARG A 124 16.269 18.560 -9.282 1.00 25.26 N ATOM 920 NH2 ARG A 124 18.254 17.712 -8.500 1.00 24.62 N ATOM 0 H ARG A 124 12.442 22.512 -5.051 1.00 18.11 H new ATOM 0 HA ARG A 124 13.903 20.467 -4.623 1.00 17.76 H new ATOM 0 HB2 ARG A 124 13.606 21.472 -6.803 1.00 16.57 H new ATOM 0 HB3 ARG A 124 14.475 22.688 -6.356 1.00 16.57 H new ATOM 0 HG2 ARG A 124 15.785 21.245 -7.685 1.00 20.18 H new ATOM 0 HG3 ARG A 124 16.399 21.321 -6.253 1.00 20.18 H new ATOM 0 HD2 ARG A 124 15.323 19.242 -5.722 1.00 16.86 H new ATOM 0 HD3 ARG A 124 14.815 19.156 -7.194 1.00 16.86 H new ATOM 0 HE ARG A 124 17.392 18.659 -6.417 1.00 21.52 H new ATOM 0 HH11 ARG A 124 15.538 18.993 -9.151 1.00 25.26 H new ATOM 0 HH12 ARG A 124 16.463 18.272 -10.069 1.00 25.26 H new ATOM 0 HH21 ARG A 124 18.814 17.593 -7.859 1.00 24.62 H new ATOM 0 HH22 ARG A 124 18.439 17.428 -9.290 1.00 24.62 H new ATOM 921 N GLY A 125 15.421 23.089 -3.664 1.00 17.25 N ATOM 922 CA GLY A 125 16.474 23.538 -2.772 1.00 17.87 C ATOM 923 C GLY A 125 16.298 22.937 -1.379 1.00 17.85 C ATOM 924 O GLY A 125 17.267 22.444 -0.805 1.00 17.80 O ATOM 0 H GLY A 125 14.940 23.718 -4.000 1.00 17.25 H new ATOM 0 HA2 GLY A 125 17.338 23.284 -3.132 1.00 17.87 H new ATOM 0 HA3 GLY A 125 16.464 24.506 -2.715 1.00 17.87 H new ATOM 925 N ALA A 126 15.069 22.958 -0.854 1.00 17.45 N ATOM 926 CA ALA A 126 14.782 22.422 0.483 1.00 18.64 C ATOM 927 C ALA A 126 15.083 20.904 0.489 1.00 20.37 C ATOM 928 O ALA A 126 15.739 20.384 1.386 1.00 22.03 O ATOM 929 CB ALA A 126 13.326 22.703 0.886 1.00 18.31 C ATOM 0 H ALA A 126 14.382 23.281 -1.259 1.00 17.45 H new ATOM 0 HA ALA A 126 15.348 22.862 1.137 1.00 18.64 H new ATOM 0 HB1 ALA A 126 13.159 22.341 1.770 1.00 18.31 H new ATOM 0 HB2 ALA A 126 13.171 23.661 0.895 1.00 18.31 H new ATOM 0 HB3 ALA A 126 12.727 22.285 0.248 1.00 18.31 H new ATOM 930 N SER A 127 14.693 20.230 -0.589 1.00 21.78 N ATOM 931 CA SER A 127 14.869 18.771 -0.726 1.00 24.04 C ATOM 932 C SER A 127 16.344 18.384 -0.811 1.00 23.89 C ATOM 933 O SER A 127 16.757 17.452 -0.141 1.00 25.13 O ATOM 934 CB SER A 127 14.036 18.217 -1.913 1.00 24.06 C ATOM 935 OG SER A 127 14.482 16.914 -2.280 1.00 26.47 O ATOM 0 H SER A 127 14.317 20.600 -1.268 1.00 21.78 H new ATOM 0 HA SER A 127 14.526 18.352 0.079 1.00 24.04 H new ATOM 0 HB2 SER A 127 13.098 18.185 -1.668 1.00 24.06 H new ATOM 0 HB3 SER A 127 14.111 18.815 -2.673 1.00 24.06 H new ATOM 0 HG SER A 127 14.219 16.356 -1.710 1.00 26.47 H new ATOM 936 N GLU A 128 17.155 19.146 -1.545 1.00 25.10 N ATOM 937 CA GLU A 128 18.617 18.901 -1.600 1.00 24.85 C ATOM 938 C GLU A 128 19.255 19.071 -0.212 1.00 26.37 C ATOM 939 O GLU A 128 20.204 18.365 0.102 1.00 28.46 O ATOM 940 CB GLU A 128 19.312 19.811 -2.606 1.00 24.40 C ATOM 941 CG GLU A 128 18.995 19.506 -4.074 1.00 25.13 C ATOM 942 CD GLU A 128 19.486 18.132 -4.586 1.00 26.13 C ATOM 943 OE1 GLU A 128 20.385 17.541 -3.962 1.00 24.28 O ATOM 944 OE2 GLU A 128 18.979 17.653 -5.654 1.00 24.77 O ATOM 0 H GLU A 128 16.888 19.811 -2.021 1.00 25.10 H new ATOM 0 HA GLU A 128 18.737 17.985 -1.894 1.00 24.85 H new ATOM 0 HB2 GLU A 128 19.063 20.729 -2.418 1.00 24.40 H new ATOM 0 HB3 GLU A 128 20.271 19.745 -2.475 1.00 24.40 H new ATOM 0 HG2 GLU A 128 18.034 19.556 -4.199 1.00 25.13 H new ATOM 0 HG3 GLU A 128 19.390 20.200 -4.625 1.00 25.13 H new ATOM 945 N THR A 129 18.726 19.986 0.597 1.00 25.44 N ATOM 946 CA THR A 129 19.260 20.302 1.940 1.00 26.38 C ATOM 947 C THR A 129 18.756 19.375 3.043 1.00 28.29 C ATOM 948 O THR A 129 19.555 18.897 3.857 1.00 29.64 O ATOM 949 CB THR A 129 18.954 21.783 2.283 1.00 25.46 C ATOM 950 OG1 THR A 129 19.536 22.610 1.265 1.00 21.14 O ATOM 951 CG2 THR A 129 19.626 22.244 3.647 1.00 23.16 C ATOM 0 H THR A 129 18.035 20.453 0.385 1.00 25.44 H new ATOM 0 HA THR A 129 20.218 20.157 1.901 1.00 26.38 H new ATOM 0 HB THR A 129 17.990 21.866 2.351 1.00 25.46 H new ATOM 0 HG1 THR A 129 19.143 23.352 1.248 1.00 21.14 H new ATOM 0 HG21 THR A 129 19.407 23.173 3.818 1.00 23.16 H new ATOM 0 HG22 THR A 129 19.293 21.695 4.374 1.00 23.16 H new ATOM 0 HG23 THR A 129 20.589 22.146 3.583 1.00 23.16 H new ATOM 952 N LEU A 130 17.455 19.115 3.053 1.00 29.23 N ATOM 953 CA LEU A 130 16.798 18.417 4.157 1.00 31.52 C ATOM 954 C LEU A 130 16.800 16.904 3.961 1.00 33.78 C ATOM 955 O LEU A 130 16.511 16.163 4.910 1.00 34.50 O ATOM 956 CB LEU A 130 15.365 18.944 4.383 1.00 31.19 C ATOM 957 CG LEU A 130 15.192 20.432 4.720 1.00 29.93 C ATOM 958 CD1 LEU A 130 13.717 20.871 4.687 1.00 31.74 C ATOM 959 CD2 LEU A 130 15.830 20.784 6.065 1.00 31.27 C ATOM 0 H LEU A 130 16.922 19.339 2.416 1.00 29.23 H new ATOM 0 HA LEU A 130 17.316 18.604 4.956 1.00 31.52 H new ATOM 0 HB2 LEU A 130 14.850 18.758 3.582 1.00 31.19 H new ATOM 0 HB3 LEU A 130 14.968 18.428 5.102 1.00 31.19 H new ATOM 0 HG LEU A 130 15.658 20.925 4.026 1.00 29.93 H new ATOM 0 HD11 LEU A 130 13.655 21.814 4.905 1.00 31.74 H new ATOM 0 HD12 LEU A 130 13.354 20.720 3.800 1.00 31.74 H new ATOM 0 HD13 LEU A 130 13.211 20.356 5.335 1.00 31.74 H new ATOM 0 HD21 LEU A 130 15.703 21.728 6.246 1.00 31.27 H new ATOM 0 HD22 LEU A 130 15.413 20.261 6.768 1.00 31.27 H new ATOM 0 HD23 LEU A 130 16.779 20.586 6.035 1.00 31.27 H new ATOM 960 N GLY A 131 17.136 16.453 2.748 1.00 35.42 N ATOM 961 CA GLY A 131 17.182 15.027 2.409 1.00 37.87 C ATOM 962 C GLY A 131 15.807 14.364 2.311 1.00 39.00 C ATOM 963 O GLY A 131 15.696 13.135 2.395 1.00 39.94 O ATOM 0 H GLY A 131 17.345 16.971 2.094 1.00 35.42 H new ATOM 0 HA2 GLY A 131 17.643 14.920 1.562 1.00 37.87 H new ATOM 0 HA3 GLY A 131 17.708 14.562 3.079 1.00 37.87 H new ATOM 964 N VAL A 132 14.757 15.165 2.164 1.00 39.34 N ATOM 965 CA VAL A 132 13.417 14.637 1.980 1.00 39.57 C ATOM 966 C VAL A 132 12.934 14.986 0.557 1.00 40.02 C ATOM 967 O VAL A 132 13.127 16.119 0.096 1.00 39.19 O ATOM 968 CB VAL A 132 12.445 15.131 3.084 1.00 40.18 C ATOM 969 CG1 VAL A 132 12.909 14.646 4.464 1.00 40.50 C ATOM 970 CG2 VAL A 132 12.327 16.641 3.100 1.00 40.94 C ATOM 0 H VAL A 132 14.803 16.024 2.168 1.00 39.34 H new ATOM 0 HA VAL A 132 13.435 13.671 2.069 1.00 39.57 H new ATOM 0 HB VAL A 132 11.572 14.759 2.881 1.00 40.18 H new ATOM 0 HG11 VAL A 132 12.292 14.962 5.143 1.00 40.50 H new ATOM 0 HG12 VAL A 132 12.932 13.676 4.475 1.00 40.50 H new ATOM 0 HG13 VAL A 132 13.796 14.992 4.647 1.00 40.50 H new ATOM 0 HG21 VAL A 132 11.713 16.910 3.801 1.00 40.94 H new ATOM 0 HG22 VAL A 132 13.199 17.032 3.267 1.00 40.94 H new ATOM 0 HG23 VAL A 132 11.994 16.949 2.243 1.00 40.94 H new ATOM 971 N PRO A 133 12.347 14.015 -0.153 1.00 40.09 N ATOM 972 CA PRO A 133 11.808 14.264 -1.490 1.00 39.60 C ATOM 973 C PRO A 133 10.809 15.412 -1.474 1.00 39.53 C ATOM 974 O PRO A 133 10.073 15.598 -0.478 1.00 39.79 O ATOM 975 CB PRO A 133 11.097 12.936 -1.846 1.00 40.27 C ATOM 976 CG PRO A 133 10.950 12.216 -0.554 1.00 39.69 C ATOM 977 CD PRO A 133 12.174 12.603 0.250 1.00 40.14 C ATOM 0 HA PRO A 133 12.494 14.515 -2.128 1.00 39.60 H new ATOM 0 HB2 PRO A 133 10.234 13.100 -2.256 1.00 40.27 H new ATOM 0 HB3 PRO A 133 11.618 12.418 -2.479 1.00 40.27 H new ATOM 0 HG2 PRO A 133 10.134 12.475 -0.098 1.00 39.69 H new ATOM 0 HG3 PRO A 133 10.907 11.256 -0.689 1.00 39.69 H new ATOM 0 HD2 PRO A 133 12.030 12.510 1.205 1.00 40.14 H new ATOM 0 HD3 PRO A 133 12.946 12.061 0.025 1.00 40.14 H new ATOM 978 N THR A 134 10.790 16.186 -2.559 1.00 38.76 N ATOM 979 CA THR A 134 9.893 17.331 -2.678 1.00 38.18 C ATOM 980 C THR A 134 8.445 16.954 -2.365 1.00 39.32 C ATOM 981 O THR A 134 7.707 17.752 -1.779 1.00 39.33 O ATOM 982 CB THR A 134 9.997 17.970 -4.081 1.00 37.89 C ATOM 983 OG1 THR A 134 9.713 16.979 -5.084 1.00 38.02 O ATOM 984 CG2 THR A 134 11.431 18.415 -4.373 1.00 32.98 C ATOM 0 H THR A 134 11.295 16.061 -3.244 1.00 38.76 H new ATOM 0 HA THR A 134 10.174 17.985 -2.019 1.00 38.18 H new ATOM 0 HB THR A 134 9.378 18.717 -4.099 1.00 37.89 H new ATOM 0 HG1 THR A 134 9.768 17.328 -5.846 1.00 38.02 H new ATOM 0 HG21 THR A 134 11.473 18.812 -5.257 1.00 32.98 H new ATOM 0 HG22 THR A 134 11.708 19.068 -3.712 1.00 32.98 H new ATOM 0 HG23 THR A 134 12.022 17.647 -4.336 1.00 32.98 H new ATOM 985 N GLY A 135 8.052 15.727 -2.731 1.00 40.46 N ATOM 986 CA GLY A 135 6.672 15.264 -2.549 1.00 41.57 C ATOM 987 C GLY A 135 6.249 15.218 -1.099 1.00 42.43 C ATOM 988 O GLY A 135 5.054 15.307 -0.792 1.00 43.63 O ATOM 0 H GLY A 135 8.575 15.145 -3.089 1.00 40.46 H new ATOM 0 HA2 GLY A 135 6.073 15.850 -3.037 1.00 41.57 H new ATOM 0 HA3 GLY A 135 6.580 14.379 -2.936 1.00 41.57 H new ATOM 989 N LYS A 136 7.240 15.108 -0.210 1.00 42.73 N ATOM 990 CA LYS A 136 7.044 15.124 1.244 1.00 42.59 C ATOM 991 C LYS A 136 7.078 16.503 1.942 1.00 41.82 C ATOM 992 O LYS A 136 6.819 16.600 3.163 1.00 42.68 O ATOM 993 CB LYS A 136 8.083 14.193 1.892 1.00 43.34 C ATOM 994 CG LYS A 136 7.604 12.743 2.070 1.00 46.52 C ATOM 995 CD LYS A 136 7.154 12.101 0.762 1.00 50.02 C ATOM 996 CE LYS A 136 6.443 10.772 1.037 1.00 53.33 C ATOM 997 NZ LYS A 136 5.427 10.479 -0.009 1.00 54.85 N ATOM 0 H LYS A 136 8.064 15.020 -0.441 1.00 42.73 H new ATOM 0 HA LYS A 136 6.132 14.821 1.374 1.00 42.59 H new ATOM 0 HB2 LYS A 136 8.886 14.193 1.349 1.00 43.34 H new ATOM 0 HB3 LYS A 136 8.327 14.551 2.760 1.00 43.34 H new ATOM 0 HG2 LYS A 136 8.322 12.215 2.454 1.00 46.52 H new ATOM 0 HG3 LYS A 136 6.869 12.726 2.703 1.00 46.52 H new ATOM 0 HD2 LYS A 136 6.558 12.702 0.288 1.00 50.02 H new ATOM 0 HD3 LYS A 136 7.921 11.951 0.187 1.00 50.02 H new ATOM 0 HE2 LYS A 136 7.095 10.054 1.069 1.00 53.33 H new ATOM 0 HE3 LYS A 136 6.015 10.805 1.907 1.00 53.33 H new ATOM 0 HZ1 LYS A 136 5.029 9.704 0.172 1.00 54.85 H new ATOM 0 HZ2 LYS A 136 4.819 11.129 -0.023 1.00 54.85 H new ATOM 0 HZ3 LYS A 136 5.825 10.429 -0.804 1.00 54.85 H new ATOM 998 N LEU A 137 7.397 17.569 1.212 1.00 39.63 N ATOM 999 CA LEU A 137 7.544 18.873 1.852 1.00 37.36 C ATOM 1000 C LEU A 137 6.303 19.728 1.687 1.00 36.17 C ATOM 1001 O LEU A 137 5.911 20.038 0.556 1.00 36.79 O ATOM 1002 CB LEU A 137 8.766 19.618 1.278 1.00 37.18 C ATOM 1003 CG LEU A 137 10.112 18.971 1.584 1.00 36.52 C ATOM 1004 CD1 LEU A 137 11.231 19.486 0.695 1.00 36.68 C ATOM 1005 CD2 LEU A 137 10.432 19.107 3.064 1.00 35.56 C ATOM 0 H LEU A 137 7.530 17.561 0.362 1.00 39.63 H new ATOM 0 HA LEU A 137 7.675 18.714 2.800 1.00 37.36 H new ATOM 0 HB2 LEU A 137 8.665 19.685 0.316 1.00 37.18 H new ATOM 0 HB3 LEU A 137 8.770 20.523 1.627 1.00 37.18 H new ATOM 0 HG LEU A 137 10.041 18.026 1.376 1.00 36.52 H new ATOM 0 HD11 LEU A 137 12.061 19.044 0.931 1.00 36.68 H new ATOM 0 HD12 LEU A 137 11.019 19.301 -0.233 1.00 36.68 H new ATOM 0 HD13 LEU A 137 11.329 20.443 0.819 1.00 36.68 H new ATOM 0 HD21 LEU A 137 11.289 18.693 3.249 1.00 35.56 H new ATOM 0 HD22 LEU A 137 10.469 20.047 3.302 1.00 35.56 H new ATOM 0 HD23 LEU A 137 9.742 18.668 3.586 1.00 35.56 H new ATOM 1006 N PRO A 138 5.666 20.125 2.787 1.00 34.35 N ATOM 1007 CA PRO A 138 4.612 21.138 2.689 1.00 33.02 C ATOM 1008 C PRO A 138 5.246 22.524 2.514 1.00 30.69 C ATOM 1009 O PRO A 138 6.412 22.689 2.852 1.00 31.44 O ATOM 1010 CB PRO A 138 3.893 21.015 4.043 1.00 32.53 C ATOM 1011 CG PRO A 138 5.001 20.631 4.992 1.00 34.03 C ATOM 1012 CD PRO A 138 5.854 19.667 4.179 1.00 34.74 C ATOM 0 HA PRO A 138 4.011 21.019 1.937 1.00 33.02 H new ATOM 0 HB2 PRO A 138 3.473 21.850 4.302 1.00 32.53 H new ATOM 0 HB3 PRO A 138 3.195 20.342 4.017 1.00 32.53 H new ATOM 0 HG2 PRO A 138 5.511 21.405 5.276 1.00 34.03 H new ATOM 0 HG3 PRO A 138 4.654 20.210 5.794 1.00 34.03 H new ATOM 0 HD2 PRO A 138 6.786 19.705 4.444 1.00 34.74 H new ATOM 0 HD3 PRO A 138 5.563 18.749 4.295 1.00 34.74 H new ATOM 1013 N TYR A 139 4.488 23.472 1.979 1.00 28.78 N ATOM 1014 CA TYR A 139 4.859 24.879 1.969 1.00 27.53 C ATOM 1015 C TYR A 139 4.635 25.498 3.355 1.00 28.07 C ATOM 1016 O TYR A 139 3.729 25.085 4.090 1.00 27.85 O ATOM 1017 CB TYR A 139 4.008 25.608 0.953 1.00 26.52 C ATOM 1018 CG TYR A 139 4.349 25.239 -0.475 1.00 26.53 C ATOM 1019 CD1 TYR A 139 5.643 25.392 -0.955 1.00 27.31 C ATOM 1020 CD2 TYR A 139 3.380 24.697 -1.339 1.00 27.64 C ATOM 1021 CE1 TYR A 139 5.982 25.059 -2.257 1.00 24.03 C ATOM 1022 CE2 TYR A 139 3.701 24.357 -2.658 1.00 25.53 C ATOM 1023 CZ TYR A 139 5.012 24.561 -3.112 1.00 26.70 C ATOM 1024 OH TYR A 139 5.374 24.238 -4.391 1.00 25.27 O ATOM 0 H TYR A 139 3.730 23.312 1.605 1.00 28.78 H new ATOM 0 HA TYR A 139 5.797 24.958 1.737 1.00 27.53 H new ATOM 0 HB2 TYR A 139 3.073 25.409 1.119 1.00 26.52 H new ATOM 0 HB3 TYR A 139 4.120 26.564 1.071 1.00 26.52 H new ATOM 0 HD1 TYR A 139 6.300 25.727 -0.388 1.00 27.31 H new ATOM 0 HD2 TYR A 139 2.514 24.563 -1.029 1.00 27.64 H new ATOM 0 HE1 TYR A 139 6.856 25.169 -2.555 1.00 24.03 H new ATOM 0 HE2 TYR A 139 3.055 24.001 -3.225 1.00 25.53 H new ATOM 0 HH TYR A 139 4.704 23.948 -4.807 1.00 25.27 H new ATOM 1025 N GLY A 140 5.427 26.509 3.705 1.00 27.05 N ATOM 1026 CA GLY A 140 5.321 27.157 5.016 1.00 26.34 C ATOM 1027 C GLY A 140 6.380 26.695 6.001 1.00 27.32 C ATOM 1028 O GLY A 140 7.378 26.041 5.631 1.00 26.48 O ATOM 0 H GLY A 140 6.037 26.838 3.196 1.00 27.05 H new ATOM 0 HA2 GLY A 140 5.392 28.118 4.902 1.00 26.34 H new ATOM 0 HA3 GLY A 140 4.443 26.979 5.388 1.00 26.34 H new ATOM 1029 N PRO A 141 6.169 26.985 7.294 1.00 28.04 N ATOM 1030 CA PRO A 141 7.156 26.632 8.277 1.00 28.66 C ATOM 1031 C PRO A 141 7.264 25.171 8.337 1.00 29.81 C ATOM 1032 O PRO A 141 6.261 24.468 8.169 1.00 32.23 O ATOM 1033 CB PRO A 141 6.598 27.155 9.615 1.00 28.01 C ATOM 1034 CG PRO A 141 5.476 27.920 9.311 1.00 29.57 C ATOM 1035 CD PRO A 141 5.002 27.653 7.882 1.00 29.01 C ATOM 0 HA PRO A 141 8.030 27.001 8.075 1.00 28.66 H new ATOM 0 HB2 PRO A 141 6.364 26.419 10.201 1.00 28.01 H new ATOM 0 HB3 PRO A 141 7.262 27.688 10.080 1.00 28.01 H new ATOM 0 HG2 PRO A 141 4.762 27.716 9.936 1.00 29.57 H new ATOM 0 HG3 PRO A 141 5.684 28.862 9.416 1.00 29.57 H new ATOM 0 HD2 PRO A 141 4.212 27.090 7.860 1.00 29.01 H new ATOM 0 HD3 PRO A 141 4.779 28.473 7.414 1.00 29.01 H new ATOM 1036 N GLN A 142 8.462 24.697 8.566 1.00 28.96 N ATOM 1037 CA GLN A 142 8.685 23.287 8.708 1.00 30.51 C ATOM 1038 C GLN A 142 8.819 22.969 10.190 1.00 33.24 C ATOM 1039 O GLN A 142 9.210 23.836 10.970 1.00 30.95 O ATOM 1040 CB GLN A 142 9.932 22.889 7.966 1.00 29.86 C ATOM 1041 CG GLN A 142 9.916 23.341 6.496 1.00 29.33 C ATOM 1042 CD GLN A 142 8.923 22.516 5.641 1.00 28.62 C ATOM 1043 OE1 GLN A 142 9.093 21.300 5.470 1.00 32.30 O ATOM 1044 NE2 GLN A 142 7.916 23.177 5.114 1.00 28.98 N ATOM 0 H GLN A 142 9.168 25.182 8.643 1.00 28.96 H new ATOM 0 HA GLN A 142 7.941 22.789 8.335 1.00 30.51 H new ATOM 0 HB2 GLN A 142 10.705 23.272 8.410 1.00 29.86 H new ATOM 0 HB3 GLN A 142 10.033 21.925 8.003 1.00 29.86 H new ATOM 0 HG2 GLN A 142 9.677 24.280 6.451 1.00 29.33 H new ATOM 0 HG3 GLN A 142 10.808 23.257 6.124 1.00 29.33 H new ATOM 0 HE21 GLN A 142 7.834 24.021 5.257 1.00 28.98 H new ATOM 0 HE22 GLN A 142 7.340 22.765 4.626 1.00 28.98 H new ATOM 1045 N PRO A 143 8.422 21.762 10.607 1.00 35.88 N ATOM 1046 CA PRO A 143 8.833 21.271 11.924 1.00 37.90 C ATOM 1047 C PRO A 143 10.328 21.533 12.097 1.00 39.52 C ATOM 1048 O PRO A 143 11.100 21.343 11.147 1.00 39.86 O ATOM 1049 CB PRO A 143 8.536 19.768 11.832 1.00 37.78 C ATOM 1050 CG PRO A 143 7.282 19.733 11.007 1.00 37.62 C ATOM 1051 CD PRO A 143 7.506 20.809 9.936 1.00 37.04 C ATOM 0 HA PRO A 143 8.385 21.691 12.675 1.00 37.90 H new ATOM 0 HB2 PRO A 143 9.261 19.282 11.408 1.00 37.78 H new ATOM 0 HB3 PRO A 143 8.403 19.372 12.708 1.00 37.78 H new ATOM 0 HG2 PRO A 143 7.144 18.859 10.608 1.00 37.62 H new ATOM 0 HG3 PRO A 143 6.498 19.926 11.545 1.00 37.62 H new ATOM 0 HD2 PRO A 143 7.900 20.438 9.131 1.00 37.04 H new ATOM 0 HD3 PRO A 143 6.674 21.234 9.674 1.00 37.04 H new ATOM 1052 N GLN A 144 10.705 22.016 13.280 1.00 40.73 N ATOM 1053 CA GLN A 144 12.097 22.280 13.639 1.00 43.46 C ATOM 1054 C GLN A 144 12.988 20.993 13.591 1.00 44.92 C ATOM 1055 O GLN A 144 12.848 20.132 14.466 1.00 45.80 O ATOM 1056 CB GLN A 144 12.108 22.952 15.034 1.00 42.56 C ATOM 1057 CG GLN A 144 13.342 23.773 15.371 1.00 39.19 C ATOM 1058 CD GLN A 144 13.623 24.905 14.387 1.00 35.06 C ATOM 1059 OE1 GLN A 144 12.662 25.550 13.882 1.00 32.61 O ATOM 1060 NE2 GLN A 144 14.824 25.131 14.133 1.00 30.98 N ATOM 0 H GLN A 144 10.148 22.203 13.908 1.00 40.73 H new ATOM 0 HA GLN A 144 12.492 22.876 12.984 1.00 43.46 H new ATOM 0 HB2 GLN A 144 11.330 23.528 15.102 1.00 42.56 H new ATOM 0 HB3 GLN A 144 12.008 22.260 15.707 1.00 42.56 H new ATOM 0 HG2 GLN A 144 13.237 24.148 16.259 1.00 39.19 H new ATOM 0 HG3 GLN A 144 14.112 23.184 15.401 1.00 39.19 H new ATOM 0 HE21 GLN A 144 15.439 24.660 14.507 1.00 30.98 H new ATOM 0 HE22 GLN A 144 15.037 25.758 13.584 1.00 30.98 H new ATOM 1061 N PRO A 145 13.882 20.876 12.588 1.00 46.35 N ATOM 1062 CA PRO A 145 14.610 19.610 12.234 1.00 47.31 C ATOM 1063 C PRO A 145 15.964 19.184 12.899 1.00 49.00 C ATOM 1064 O PRO A 145 16.032 19.041 14.144 1.00 48.93 O ATOM 1065 CB PRO A 145 14.842 19.779 10.726 1.00 47.59 C ATOM 1066 CG PRO A 145 14.138 21.076 10.374 1.00 47.01 C ATOM 1067 CD PRO A 145 14.217 21.939 11.624 1.00 46.69 C ATOM 0 HA PRO A 145 14.052 18.893 12.574 1.00 47.31 H new ATOM 0 HB2 PRO A 145 15.788 19.823 10.517 1.00 47.59 H new ATOM 0 HB3 PRO A 145 14.476 19.032 10.227 1.00 47.59 H new ATOM 0 HG2 PRO A 145 14.567 21.512 9.622 1.00 47.01 H new ATOM 0 HG3 PRO A 145 13.216 20.914 10.120 1.00 47.01 H new ATOM 0 HD2 PRO A 145 15.095 22.325 11.769 1.00 46.69 H new ATOM 0 HD3 PRO A 145 13.581 22.672 11.625 1.00 46.69 H new ATOM 1068 N LEU A 146 17.002 18.940 12.061 1.00 49.85 N ATOM 1069 CA LEU A 146 18.268 18.237 12.461 1.00 50.09 C ATOM 1070 C LEU A 146 19.536 18.391 11.564 1.00 50.24 C ATOM 1071 O LEU A 146 19.568 17.979 10.402 1.00 50.48 O ATOM 1072 CB LEU A 146 18.041 16.727 12.666 1.00 50.79 C ATOM 1073 CG LEU A 146 17.124 16.097 13.735 1.00 53.87 C ATOM 1074 CD1 LEU A 146 17.107 14.559 13.558 1.00 54.52 C ATOM 1075 CD2 LEU A 146 17.474 16.509 15.211 1.00 55.41 C ATOM 0 H LEU A 146 16.995 19.179 11.235 1.00 49.85 H new ATOM 0 HA LEU A 146 18.473 18.715 13.280 1.00 50.09 H new ATOM 0 HB2 LEU A 146 17.724 16.389 11.814 1.00 50.79 H new ATOM 0 HB3 LEU A 146 18.920 16.345 12.814 1.00 50.79 H new ATOM 0 HG LEU A 146 16.234 16.454 13.589 1.00 53.87 H new ATOM 0 HD11 LEU A 146 16.531 14.162 14.230 1.00 54.52 H new ATOM 0 HD12 LEU A 146 16.773 14.338 12.675 1.00 54.52 H new ATOM 0 HD13 LEU A 146 18.007 14.212 13.659 1.00 54.52 H new ATOM 0 HD21 LEU A 146 16.858 16.076 15.823 1.00 55.41 H new ATOM 0 HD22 LEU A 146 18.381 16.234 15.418 1.00 55.41 H new ATOM 0 HD23 LEU A 146 17.399 17.472 15.305 1.00 55.41 H new ATOM 1076 N ASP A 147 20.557 19.045 12.106 1.00 49.66 N ATOM 1077 CA ASP A 147 20.277 20.003 13.156 1.00 48.73 C ATOM 1078 C ASP A 147 20.685 21.437 12.824 1.00 46.95 C ATOM 1079 O ASP A 147 21.387 21.682 11.849 1.00 46.43 O ATOM 1080 CB ASP A 147 20.730 19.564 14.540 1.00 49.61 C ATOM 1081 CG ASP A 147 19.768 20.043 15.587 1.00 51.51 C ATOM 1082 OD1 ASP A 147 20.208 20.511 16.668 1.00 56.35 O ATOM 1083 OD2 ASP A 147 18.534 20.029 15.374 1.00 51.54 O ATOM 0 H ASP A 147 21.384 18.953 11.890 1.00 49.66 H new ATOM 0 HA ASP A 147 19.308 20.017 13.197 1.00 48.73 H new ATOM 0 HB2 ASP A 147 20.796 18.597 14.573 1.00 49.61 H new ATOM 0 HB3 ASP A 147 21.616 19.915 14.722 1.00 49.61 H new ATOM 1084 N TRP A 148 20.241 22.372 13.663 1.00 44.05 N ATOM 1085 CA TRP A 148 19.885 23.674 13.173 1.00 41.70 C ATOM 1086 C TRP A 148 19.712 24.558 14.405 1.00 38.90 C ATOM 1087 O TRP A 148 19.154 24.108 15.439 1.00 38.64 O ATOM 1088 CB TRP A 148 18.537 23.476 12.432 1.00 43.75 C ATOM 1089 CG TRP A 148 18.196 24.407 11.340 1.00 44.76 C ATOM 1090 CD1 TRP A 148 17.368 25.487 11.437 1.00 47.37 C ATOM 1091 CD2 TRP A 148 18.622 24.350 9.965 1.00 45.94 C ATOM 1092 NE1 TRP A 148 17.272 26.121 10.222 1.00 48.39 N ATOM 1093 CE2 TRP A 148 18.026 25.444 9.297 1.00 48.09 C ATOM 1094 CE3 TRP A 148 19.452 23.497 9.231 1.00 48.40 C ATOM 1095 CZ2 TRP A 148 18.241 25.710 7.922 1.00 46.96 C ATOM 1096 CZ3 TRP A 148 19.673 23.767 7.862 1.00 47.64 C ATOM 1097 CH2 TRP A 148 19.082 24.865 7.235 1.00 46.36 C ATOM 0 H TRP A 148 20.143 22.262 14.510 1.00 44.05 H new ATOM 0 HA TRP A 148 20.536 24.078 12.578 1.00 41.70 H new ATOM 0 HB2 TRP A 148 18.529 22.577 12.068 1.00 43.75 H new ATOM 0 HB3 TRP A 148 17.827 23.521 13.092 1.00 43.75 H new ATOM 0 HD1 TRP A 148 16.932 25.755 12.213 1.00 47.37 H new ATOM 0 HE1 TRP A 148 16.812 26.831 10.066 1.00 48.39 H new ATOM 0 HE3 TRP A 148 19.853 22.763 9.638 1.00 48.40 H new ATOM 0 HZ2 TRP A 148 17.829 26.429 7.500 1.00 46.96 H new ATOM 0 HZ3 TRP A 148 20.223 23.202 7.369 1.00 47.64 H new ATOM 0 HH2 TRP A 148 19.260 25.028 6.337 1.00 46.36 H new ATOM 1098 N PRO A 149 20.167 25.807 14.332 1.00 35.48 N ATOM 1099 CA PRO A 149 19.977 26.715 15.461 1.00 33.85 C ATOM 1100 C PRO A 149 18.459 26.778 15.717 1.00 32.56 C ATOM 1101 O PRO A 149 17.668 26.994 14.762 1.00 31.07 O ATOM 1102 CB PRO A 149 20.539 28.056 14.948 1.00 34.07 C ATOM 1103 CG PRO A 149 21.506 27.648 13.783 1.00 33.96 C ATOM 1104 CD PRO A 149 20.814 26.465 13.175 1.00 35.46 C ATOM 0 HA PRO A 149 20.410 26.460 16.290 1.00 33.85 H new ATOM 0 HB2 PRO A 149 19.831 28.640 14.633 1.00 34.07 H new ATOM 0 HB3 PRO A 149 21.010 28.534 15.648 1.00 34.07 H new ATOM 0 HG2 PRO A 149 21.620 28.367 13.142 1.00 33.96 H new ATOM 0 HG3 PRO A 149 22.389 27.418 14.112 1.00 33.96 H new ATOM 0 HD2 PRO A 149 20.163 26.736 12.509 1.00 35.46 H new ATOM 0 HD3 PRO A 149 21.442 25.873 12.733 1.00 35.46 H new ATOM 1105 N ALA A 150 18.061 26.582 16.975 1.00 30.03 N ATOM 1106 CA ALA A 150 16.657 26.443 17.331 1.00 29.49 C ATOM 1107 C ALA A 150 15.932 27.745 17.068 1.00 29.16 C ATOM 1108 O ALA A 150 14.691 27.776 16.920 1.00 29.10 O ATOM 1109 CB ALA A 150 16.530 26.132 18.821 1.00 29.91 C ATOM 0 H ALA A 150 18.600 26.527 17.643 1.00 30.03 H new ATOM 0 HA ALA A 150 16.274 25.727 16.801 1.00 29.49 H new ATOM 0 HB1 ALA A 150 15.593 26.040 19.054 1.00 29.91 H new ATOM 0 HB2 ALA A 150 16.995 25.304 19.020 1.00 29.91 H new ATOM 0 HB3 ALA A 150 16.922 26.854 19.337 1.00 29.91 H new ATOM 1110 N GLU A 151 16.699 28.836 17.042 1.00 27.90 N ATOM 1111 CA GLU A 151 16.042 30.142 16.892 1.00 28.81 C ATOM 1112 C GLU A 151 16.021 30.467 15.411 1.00 27.28 C ATOM 1113 O GLU A 151 15.538 31.561 15.018 1.00 29.03 O ATOM 1114 CB GLU A 151 16.710 31.222 17.748 1.00 29.51 C ATOM 1115 CG GLU A 151 16.258 31.112 19.222 1.00 29.95 C ATOM 1116 CD GLU A 151 17.155 31.849 20.205 1.00 30.96 C ATOM 1117 OE1 GLU A 151 18.400 31.846 19.998 1.00 22.32 O ATOM 1118 OE2 GLU A 151 16.585 32.416 21.205 1.00 29.88 O ATOM 0 H GLU A 151 17.557 28.849 17.106 1.00 27.90 H new ATOM 0 HA GLU A 151 15.131 30.110 17.223 1.00 28.81 H new ATOM 0 HB2 GLU A 151 17.674 31.133 17.694 1.00 29.51 H new ATOM 0 HB3 GLU A 151 16.486 32.100 17.401 1.00 29.51 H new ATOM 0 HG2 GLU A 151 15.356 31.459 19.300 1.00 29.95 H new ATOM 0 HG3 GLU A 151 16.224 30.175 19.470 1.00 29.95 H new ATOM 1119 N THR A 152 16.474 29.488 14.626 1.00 25.80 N ATOM 1120 CA THR A 152 16.441 29.552 13.110 1.00 24.42 C ATOM 1121 C THR A 152 15.325 28.638 12.570 1.00 22.30 C ATOM 1122 O THR A 152 15.491 27.457 12.470 1.00 22.63 O ATOM 1123 CB THR A 152 17.788 29.095 12.448 1.00 24.74 C ATOM 1124 OG1 THR A 152 18.857 29.981 12.826 1.00 26.44 O ATOM 1125 CG2 THR A 152 17.699 29.238 10.867 1.00 24.56 C ATOM 0 H THR A 152 16.813 28.760 14.933 1.00 25.80 H new ATOM 0 HA THR A 152 16.285 30.482 12.883 1.00 24.42 H new ATOM 0 HB THR A 152 17.945 28.181 12.732 1.00 24.74 H new ATOM 0 HG1 THR A 152 18.682 30.760 12.563 1.00 26.44 H new ATOM 0 HG21 THR A 152 18.536 28.953 10.468 1.00 24.56 H new ATOM 0 HG22 THR A 152 16.977 28.684 10.532 1.00 24.56 H new ATOM 0 HG23 THR A 152 17.530 30.164 10.635 1.00 24.56 H new ATOM 1126 N GLU A 153 14.202 29.238 12.265 1.00 22.25 N ATOM 1127 CA GLU A 153 13.047 28.534 11.689 1.00 21.72 C ATOM 1128 C GLU A 153 13.320 28.256 10.215 1.00 21.20 C ATOM 1129 O GLU A 153 14.069 28.986 9.561 1.00 19.26 O ATOM 1130 CB GLU A 153 11.862 29.475 11.672 1.00 22.85 C ATOM 1131 CG GLU A 153 11.207 29.906 12.951 1.00 27.42 C ATOM 1132 CD GLU A 153 10.144 30.973 12.635 1.00 25.52 C ATOM 1133 OE1 GLU A 153 10.218 32.032 13.235 1.00 28.62 O ATOM 1134 OE2 GLU A 153 9.200 30.774 11.766 1.00 30.76 O ATOM 0 H GLU A 153 14.071 30.080 12.383 1.00 22.25 H new ATOM 0 HA GLU A 153 12.888 27.728 12.204 1.00 21.72 H new ATOM 0 HB2 GLU A 153 12.144 30.280 11.210 1.00 22.85 H new ATOM 0 HB3 GLU A 153 11.176 29.060 11.126 1.00 22.85 H new ATOM 0 HG2 GLU A 153 10.797 29.145 13.391 1.00 27.42 H new ATOM 0 HG3 GLU A 153 11.869 30.264 13.563 1.00 27.42 H new ATOM 1135 N LEU A 154 12.646 27.241 9.668 1.00 20.23 N ATOM 1136 CA LEU A 154 12.947 26.797 8.285 1.00 21.45 C ATOM 1137 C LEU A 154 11.622 26.779 7.531 1.00 21.98 C ATOM 1138 O LEU A 154 10.593 26.303 8.043 1.00 22.25 O ATOM 1139 CB LEU A 154 13.566 25.426 8.352 1.00 22.17 C ATOM 1140 CG LEU A 154 14.417 24.736 7.280 1.00 28.03 C ATOM 1141 CD1 LEU A 154 15.066 23.596 8.003 1.00 32.13 C ATOM 1142 CD2 LEU A 154 13.593 24.243 6.079 1.00 34.07 C ATOM 0 H LEU A 154 12.023 26.800 10.064 1.00 20.23 H new ATOM 0 HA LEU A 154 13.570 27.385 7.830 1.00 21.45 H new ATOM 0 HB2 LEU A 154 14.117 25.433 9.150 1.00 22.17 H new ATOM 0 HB3 LEU A 154 12.828 24.820 8.522 1.00 22.17 H new ATOM 0 HG LEU A 154 15.058 25.351 6.890 1.00 28.03 H new ATOM 0 HD11 LEU A 154 15.630 23.101 7.388 1.00 32.13 H new ATOM 0 HD12 LEU A 154 15.607 23.940 8.731 1.00 32.13 H new ATOM 0 HD13 LEU A 154 14.382 23.007 8.359 1.00 32.13 H new ATOM 0 HD21 LEU A 154 14.181 23.817 5.436 1.00 34.07 H new ATOM 0 HD22 LEU A 154 12.929 23.604 6.382 1.00 34.07 H new ATOM 0 HD23 LEU A 154 13.148 24.997 5.660 1.00 34.07 H new ATOM 1143 N TRP A 155 11.621 27.307 6.309 1.00 20.95 N ATOM 1144 CA TRP A 155 10.377 27.503 5.577 1.00 18.87 C ATOM 1145 C TRP A 155 10.643 27.004 4.177 1.00 19.34 C ATOM 1146 O TRP A 155 11.800 27.005 3.704 1.00 17.91 O ATOM 1147 CB TRP A 155 10.002 29.002 5.494 1.00 20.90 C ATOM 1148 CG TRP A 155 9.303 29.571 6.755 1.00 19.95 C ATOM 1149 CD1 TRP A 155 9.786 29.594 8.037 1.00 21.55 C ATOM 1150 CD2 TRP A 155 8.014 30.194 6.809 1.00 22.75 C ATOM 1151 NE1 TRP A 155 8.895 30.220 8.885 1.00 21.88 N ATOM 1152 CE2 TRP A 155 7.784 30.580 8.166 1.00 22.34 C ATOM 1153 CE3 TRP A 155 7.014 30.458 5.854 1.00 23.87 C ATOM 1154 CZ2 TRP A 155 6.593 31.220 8.582 1.00 22.88 C ATOM 1155 CZ3 TRP A 155 5.832 31.106 6.269 1.00 23.01 C ATOM 1156 CH2 TRP A 155 5.626 31.447 7.642 1.00 22.65 C ATOM 0 H TRP A 155 12.329 27.557 5.889 1.00 20.95 H new ATOM 0 HA TRP A 155 9.649 27.038 6.019 1.00 18.87 H new ATOM 0 HB2 TRP A 155 10.808 29.515 5.328 1.00 20.90 H new ATOM 0 HB3 TRP A 155 9.419 29.134 4.730 1.00 20.90 H new ATOM 0 HD1 TRP A 155 10.603 29.236 8.300 1.00 21.55 H new ATOM 0 HE1 TRP A 155 9.016 30.361 9.725 1.00 21.88 H new ATOM 0 HE3 TRP A 155 7.131 30.210 4.965 1.00 23.87 H new ATOM 0 HZ2 TRP A 155 6.471 31.478 9.467 1.00 22.88 H new ATOM 0 HZ3 TRP A 155 5.178 31.314 5.641 1.00 23.01 H new ATOM 0 HH2 TRP A 155 4.819 31.830 7.901 1.00 22.65 H new ATOM 1157 N VAL A 156 9.558 26.594 3.512 1.00 18.38 N ATOM 1158 CA VAL A 156 9.656 26.126 2.119 1.00 18.95 C ATOM 1159 C VAL A 156 8.609 26.882 1.343 1.00 18.73 C ATOM 1160 O VAL A 156 7.459 27.023 1.805 1.00 18.59 O ATOM 1161 CB VAL A 156 9.493 24.594 2.004 1.00 19.42 C ATOM 1162 CG1 VAL A 156 9.440 24.145 0.528 1.00 20.37 C ATOM 1163 CG2 VAL A 156 10.651 23.831 2.714 1.00 19.20 C ATOM 0 H VAL A 156 8.764 26.578 3.842 1.00 18.38 H new ATOM 0 HA VAL A 156 10.538 26.301 1.756 1.00 18.95 H new ATOM 0 HB VAL A 156 8.655 24.377 2.442 1.00 19.42 H new ATOM 0 HG11 VAL A 156 9.338 23.181 0.486 1.00 20.37 H new ATOM 0 HG12 VAL A 156 8.687 24.569 0.087 1.00 20.37 H new ATOM 0 HG13 VAL A 156 10.262 24.402 0.082 1.00 20.37 H new ATOM 0 HG21 VAL A 156 10.514 22.875 2.621 1.00 19.20 H new ATOM 0 HG22 VAL A 156 11.497 24.077 2.309 1.00 19.20 H new ATOM 0 HG23 VAL A 156 10.664 24.065 3.655 1.00 19.20 H new ATOM 1164 N LEU A 157 9.005 27.469 0.203 1.00 16.73 N ATOM 1165 CA LEU A 157 8.110 28.371 -0.489 1.00 14.98 C ATOM 1166 C LEU A 157 7.872 27.907 -1.905 1.00 15.67 C ATOM 1167 O LEU A 157 8.729 27.248 -2.453 1.00 17.23 O ATOM 1168 CB LEU A 157 8.639 29.813 -0.528 1.00 16.11 C ATOM 1169 CG LEU A 157 9.006 30.403 0.854 1.00 15.70 C ATOM 1170 CD1 LEU A 157 9.848 31.732 0.629 1.00 16.86 C ATOM 1171 CD2 LEU A 157 7.801 30.711 1.652 1.00 17.58 C ATOM 0 H LEU A 157 9.772 27.354 -0.169 1.00 16.73 H new ATOM 0 HA LEU A 157 7.279 28.363 0.012 1.00 14.98 H new ATOM 0 HB2 LEU A 157 9.424 29.842 -1.097 1.00 16.11 H new ATOM 0 HB3 LEU A 157 7.969 30.380 -0.941 1.00 16.11 H new ATOM 0 HG LEU A 157 9.524 29.746 1.344 1.00 15.70 H new ATOM 0 HD11 LEU A 157 10.086 32.114 1.488 1.00 16.86 H new ATOM 0 HD12 LEU A 157 10.656 31.524 0.134 1.00 16.86 H new ATOM 0 HD13 LEU A 157 9.317 32.371 0.128 1.00 16.86 H new ATOM 0 HD21 LEU A 157 8.066 31.078 2.510 1.00 17.58 H new ATOM 0 HD22 LEU A 157 7.256 31.358 1.178 1.00 17.58 H new ATOM 0 HD23 LEU A 157 7.289 29.899 1.792 1.00 17.58 H new ATOM 1172 N PRO A 158 6.694 28.225 -2.479 1.00 17.33 N ATOM 1173 CA PRO A 158 6.415 27.884 -3.896 1.00 17.74 C ATOM 1174 C PRO A 158 7.372 28.646 -4.785 1.00 17.17 C ATOM 1175 O PRO A 158 7.538 29.853 -4.619 1.00 16.84 O ATOM 1176 CB PRO A 158 4.962 28.368 -4.106 1.00 19.53 C ATOM 1177 CG PRO A 158 4.338 28.346 -2.697 1.00 20.32 C ATOM 1178 CD PRO A 158 5.533 28.894 -1.847 1.00 17.44 C ATOM 0 HA PRO A 158 6.522 26.943 -4.104 1.00 17.74 H new ATOM 0 HB2 PRO A 158 4.939 29.259 -4.488 1.00 19.53 H new ATOM 0 HB3 PRO A 158 4.481 27.786 -4.714 1.00 19.53 H new ATOM 0 HG2 PRO A 158 3.551 28.909 -2.633 1.00 20.32 H new ATOM 0 HG3 PRO A 158 4.071 27.454 -2.426 1.00 20.32 H new ATOM 0 HD2 PRO A 158 5.600 29.860 -1.896 1.00 17.44 H new ATOM 0 HD3 PRO A 158 5.447 28.663 -0.909 1.00 17.44 H new ATOM 1179 N SER A 159 7.999 27.931 -5.722 1.00 18.32 N ATOM 1180 CA SER A 159 8.919 28.601 -6.696 1.00 18.99 C ATOM 1181 C SER A 159 8.273 29.791 -7.440 1.00 18.65 C ATOM 1182 O SER A 159 7.108 29.717 -7.879 1.00 18.60 O ATOM 1183 CB SER A 159 9.515 27.562 -7.652 1.00 19.76 C ATOM 1184 OG SER A 159 10.218 28.208 -8.663 1.00 18.63 O ATOM 0 H SER A 159 7.919 27.081 -5.823 1.00 18.32 H new ATOM 0 HA SER A 159 9.641 28.999 -6.185 1.00 18.99 H new ATOM 0 HB2 SER A 159 10.104 26.963 -7.167 1.00 19.76 H new ATOM 0 HB3 SER A 159 8.809 27.017 -8.034 1.00 19.76 H new ATOM 0 HG SER A 159 11.042 28.084 -8.555 1.00 18.63 H new ATOM 1185 N THR A 160 9.018 30.894 -7.563 1.00 16.44 N ATOM 1186 CA THR A 160 8.611 32.057 -8.321 1.00 16.50 C ATOM 1187 C THR A 160 9.086 31.951 -9.774 1.00 16.61 C ATOM 1188 O THR A 160 8.947 32.893 -10.529 1.00 16.56 O ATOM 1189 CB THR A 160 9.135 33.341 -7.675 1.00 16.39 C ATOM 1190 OG1 THR A 160 10.568 33.220 -7.525 1.00 16.99 O ATOM 1191 CG2 THR A 160 8.560 33.517 -6.240 1.00 16.38 C ATOM 0 H THR A 160 9.791 30.979 -7.195 1.00 16.44 H new ATOM 0 HA THR A 160 7.642 32.092 -8.319 1.00 16.50 H new ATOM 0 HB THR A 160 8.877 34.091 -8.234 1.00 16.39 H new ATOM 0 HG1 THR A 160 10.951 33.666 -8.125 1.00 16.99 H new ATOM 0 HG21 THR A 160 8.905 34.336 -5.851 1.00 16.38 H new ATOM 0 HG22 THR A 160 7.592 33.563 -6.282 1.00 16.38 H new ATOM 0 HG23 THR A 160 8.824 32.762 -5.691 1.00 16.38 H new ATOM 1192 N SER A 161 9.690 30.814 -10.140 1.00 18.39 N ATOM 1193 CA SER A 161 10.191 30.642 -11.487 1.00 21.68 C ATOM 1194 C SER A 161 9.026 30.535 -12.490 1.00 24.23 C ATOM 1195 O SER A 161 7.941 30.077 -12.096 1.00 22.70 O ATOM 1196 CB SER A 161 11.142 29.460 -11.487 1.00 23.75 C ATOM 1197 OG SER A 161 10.653 28.498 -12.382 1.00 32.92 O ATOM 0 H SER A 161 9.814 30.140 -9.620 1.00 18.39 H new ATOM 0 HA SER A 161 10.695 31.416 -11.784 1.00 21.68 H new ATOM 0 HB2 SER A 161 12.032 29.743 -11.749 1.00 23.75 H new ATOM 0 HB3 SER A 161 11.215 29.085 -10.595 1.00 23.75 H new ATOM 0 HG SER A 161 10.860 28.715 -13.167 1.00 32.92 H new ATOM 1198 N PRO A 162 9.223 31.009 -13.731 1.00 26.84 N ATOM 1199 CA PRO A 162 8.126 31.104 -14.710 1.00 30.01 C ATOM 1200 C PRO A 162 7.466 29.756 -14.965 1.00 32.89 C ATOM 1201 O PRO A 162 6.229 29.709 -15.069 1.00 35.42 O ATOM 1202 CB PRO A 162 8.804 31.682 -15.967 1.00 29.37 C ATOM 1203 CG PRO A 162 10.032 32.321 -15.493 1.00 28.27 C ATOM 1204 CD PRO A 162 10.491 31.546 -14.270 1.00 26.59 C ATOM 0 HA PRO A 162 7.396 31.663 -14.400 1.00 30.01 H new ATOM 0 HB2 PRO A 162 9.000 30.983 -16.610 1.00 29.37 H new ATOM 0 HB3 PRO A 162 8.227 32.322 -16.412 1.00 29.37 H new ATOM 0 HG2 PRO A 162 10.714 32.309 -16.183 1.00 28.27 H new ATOM 0 HG3 PRO A 162 9.871 33.251 -15.270 1.00 28.27 H new ATOM 0 HD2 PRO A 162 11.112 30.838 -14.504 1.00 26.59 H new ATOM 0 HD3 PRO A 162 10.942 32.118 -13.629 1.00 26.59 H new ATOM 1205 N LEU A 163 8.267 28.694 -14.994 1.00 35.36 N ATOM 1206 CA LEU A 163 7.824 27.297 -15.099 1.00 39.01 C ATOM 1207 C LEU A 163 6.891 26.836 -13.954 1.00 40.46 C ATOM 1208 O LEU A 163 6.512 25.639 -13.893 1.00 42.42 O ATOM 1209 CB LEU A 163 9.064 26.371 -15.078 1.00 39.69 C ATOM 1210 CG LEU A 163 9.890 26.013 -16.326 1.00 42.31 C ATOM 1211 CD1 LEU A 163 11.371 26.205 -16.031 1.00 44.66 C ATOM 1212 CD2 LEU A 163 9.643 24.566 -16.825 1.00 43.81 C ATOM 0 H LEU A 163 9.123 28.767 -14.951 1.00 35.36 H new ATOM 0 HA LEU A 163 7.322 27.242 -15.927 1.00 39.01 H new ATOM 0 HB2 LEU A 163 9.685 26.764 -14.445 1.00 39.69 H new ATOM 0 HB3 LEU A 163 8.767 25.529 -14.699 1.00 39.69 H new ATOM 0 HG LEU A 163 9.603 26.609 -17.035 1.00 42.31 H new ATOM 0 HD11 LEU A 163 11.890 25.979 -16.819 1.00 44.66 H new ATOM 0 HD12 LEU A 163 11.536 27.130 -15.790 1.00 44.66 H new ATOM 0 HD13 LEU A 163 11.632 25.629 -15.296 1.00 44.66 H new ATOM 0 HD21 LEU A 163 10.187 24.397 -17.610 1.00 43.81 H new ATOM 0 HD22 LEU A 163 9.881 23.937 -16.126 1.00 43.81 H new ATOM 0 HD23 LEU A 163 8.706 24.457 -17.052 1.00 43.81 H new ATOM 1213 N GLY A 164 6.565 27.736 -13.019 1.00 40.23 N ATOM 1214 CA GLY A 164 5.794 27.339 -11.843 1.00 39.60 C ATOM 1215 C GLY A 164 4.581 28.206 -11.605 1.00 40.29 C ATOM 1216 O GLY A 164 3.980 28.100 -10.548 1.00 39.57 O ATOM 0 H GLY A 164 6.779 28.569 -13.048 1.00 40.23 H new ATOM 0 HA2 GLY A 164 5.510 26.417 -11.946 1.00 39.60 H new ATOM 0 HA3 GLY A 164 6.367 27.374 -11.061 1.00 39.60 H new ATOM 1217 N HIS A 165 4.235 29.059 -12.575 1.00 40.75 N ATOM 1218 CA HIS A 165 3.153 30.075 -12.469 1.00 42.31 C ATOM 1219 C HIS A 165 1.827 29.408 -12.010 1.00 42.57 C ATOM 1220 O HIS A 165 1.103 29.936 -11.153 1.00 42.15 O ATOM 1221 CB HIS A 165 3.034 30.810 -13.828 1.00 43.08 C ATOM 1222 CG HIS A 165 2.010 31.907 -13.867 1.00 45.79 C ATOM 1223 ND1 HIS A 165 2.295 33.214 -13.524 1.00 49.96 N ATOM 1224 CD2 HIS A 165 0.713 31.902 -14.262 1.00 48.79 C ATOM 1225 CE1 HIS A 165 1.214 33.960 -13.678 1.00 50.10 C ATOM 1226 NE2 HIS A 165 0.239 33.189 -14.126 1.00 49.82 N ATOM 0 H HIS A 165 4.630 29.070 -13.339 1.00 40.75 H new ATOM 0 HA HIS A 165 3.364 30.737 -11.792 1.00 42.31 H new ATOM 0 HB2 HIS A 165 3.899 31.185 -14.055 1.00 43.08 H new ATOM 0 HB3 HIS A 165 2.818 30.160 -14.515 1.00 43.08 H new ATOM 0 HD2 HIS A 165 0.233 31.167 -14.568 1.00 48.79 H new ATOM 0 HE1 HIS A 165 1.151 34.871 -13.501 1.00 50.10 H new ATOM 0 HE2 HIS A 165 -0.561 33.448 -14.304 1.00 49.82 H new ATOM 1227 N ASN A 166 1.478 28.358 -12.750 1.00 42.59 N ATOM 1228 CA ASN A 166 1.242 26.998 -12.286 1.00 42.60 C ATOM 1229 C ASN A 166 0.846 26.790 -10.811 1.00 40.90 C ATOM 1230 O ASN A 166 -0.282 27.126 -10.343 1.00 40.25 O ATOM 1231 CB ASN A 166 2.618 26.318 -12.528 1.00 43.19 C ATOM 1232 CG ASN A 166 2.568 24.818 -12.746 1.00 47.79 C ATOM 1233 OD1 ASN A 166 3.549 24.126 -12.400 1.00 50.51 O ATOM 1234 ND2 ASN A 166 1.473 24.296 -13.353 1.00 51.34 N ATOM 0 H ASN A 166 1.365 28.430 -13.600 1.00 42.59 H new ATOM 0 HA ASN A 166 0.471 26.645 -12.757 1.00 42.60 H new ATOM 0 HB2 ASN A 166 3.034 26.729 -13.302 1.00 43.19 H new ATOM 0 HB3 ASN A 166 3.191 26.501 -11.767 1.00 43.19 H new ATOM 0 HD21 ASN A 166 1.433 23.453 -13.516 1.00 51.34 H new ATOM 0 HD22 ASN A 166 0.819 24.809 -13.575 1.00 51.34 H new ATOM 1235 N HIS A 167 1.830 26.199 -10.129 1.00 38.44 N ATOM 1236 CA HIS A 167 1.786 25.736 -8.754 1.00 35.98 C ATOM 1237 C HIS A 167 2.092 26.855 -7.758 1.00 32.12 C ATOM 1238 O HIS A 167 2.024 26.663 -6.543 1.00 31.07 O ATOM 1239 CB HIS A 167 2.834 24.653 -8.583 1.00 36.56 C ATOM 1240 CG HIS A 167 2.516 23.384 -9.301 1.00 41.98 C ATOM 1241 ND1 HIS A 167 3.465 22.670 -10.005 1.00 46.44 N ATOM 1242 CD2 HIS A 167 1.354 22.693 -9.418 1.00 45.83 C ATOM 1243 CE1 HIS A 167 2.898 21.593 -10.527 1.00 47.92 C ATOM 1244 NE2 HIS A 167 1.620 21.582 -10.182 1.00 47.57 N ATOM 0 H HIS A 167 2.595 26.050 -10.492 1.00 38.44 H new ATOM 0 HA HIS A 167 0.890 25.409 -8.576 1.00 35.98 H new ATOM 0 HB2 HIS A 167 3.687 24.988 -8.900 1.00 36.56 H new ATOM 0 HB3 HIS A 167 2.938 24.462 -7.638 1.00 36.56 H new ATOM 0 HD2 HIS A 167 0.532 22.927 -9.050 1.00 45.83 H new ATOM 0 HE1 HIS A 167 3.326 20.952 -11.048 1.00 47.92 H new ATOM 0 HE2 HIS A 167 1.049 20.977 -10.401 1.00 47.57 H new ATOM 1245 N PHE A 168 2.411 28.027 -8.282 1.00 28.94 N ATOM 1246 CA PHE A 168 2.723 29.142 -7.439 1.00 26.81 C ATOM 1247 C PHE A 168 1.535 29.485 -6.533 1.00 26.53 C ATOM 1248 O PHE A 168 0.374 29.445 -6.976 1.00 26.28 O ATOM 1249 CB PHE A 168 3.112 30.352 -8.289 1.00 26.16 C ATOM 1250 CG PHE A 168 3.452 31.529 -7.477 1.00 26.35 C ATOM 1251 CD1 PHE A 168 4.643 31.531 -6.710 1.00 26.27 C ATOM 1252 CD2 PHE A 168 2.596 32.619 -7.407 1.00 25.48 C ATOM 1253 CE1 PHE A 168 4.946 32.614 -5.918 1.00 21.47 C ATOM 1254 CE2 PHE A 168 2.891 33.732 -6.614 1.00 28.28 C ATOM 1255 CZ PHE A 168 4.091 33.737 -5.860 1.00 26.14 C ATOM 0 H PHE A 168 2.450 28.189 -9.126 1.00 28.94 H new ATOM 0 HA PHE A 168 3.475 28.901 -6.875 1.00 26.81 H new ATOM 0 HB2 PHE A 168 3.870 30.120 -8.848 1.00 26.16 H new ATOM 0 HB3 PHE A 168 2.378 30.575 -8.883 1.00 26.16 H new ATOM 0 HD1 PHE A 168 5.219 30.801 -6.742 1.00 26.27 H new ATOM 0 HD2 PHE A 168 1.807 32.609 -7.899 1.00 25.48 H new ATOM 0 HE1 PHE A 168 5.727 32.607 -5.412 1.00 21.47 H new ATOM 0 HE2 PHE A 168 2.309 34.457 -6.582 1.00 28.28 H new ATOM 0 HZ PHE A 168 4.313 34.471 -5.333 1.00 26.14 H new ATOM 1256 N ARG A 169 1.810 29.773 -5.259 1.00 24.48 N ATOM 1257 CA ARG A 169 0.749 30.209 -4.339 1.00 23.87 C ATOM 1258 C ARG A 169 1.318 31.292 -3.452 1.00 24.34 C ATOM 1259 O ARG A 169 2.425 31.122 -2.942 1.00 23.07 O ATOM 1260 CB ARG A 169 0.282 29.072 -3.438 1.00 23.11 C ATOM 1261 CG ARG A 169 -0.580 28.010 -4.134 1.00 23.53 C ATOM 1262 CD ARG A 169 -1.885 28.562 -4.687 1.00 23.27 C ATOM 1263 NE ARG A 169 -2.658 27.483 -5.328 1.00 24.36 N ATOM 1264 CZ ARG A 169 -2.440 26.960 -6.548 1.00 25.27 C ATOM 1265 NH1 ARG A 169 -1.424 27.353 -7.325 1.00 23.62 N ATOM 1266 NH2 ARG A 169 -3.267 25.996 -6.987 1.00 23.52 N ATOM 0 H ARG A 169 2.594 29.724 -4.908 1.00 24.48 H new ATOM 0 HA ARG A 169 -0.005 30.519 -4.865 1.00 23.87 H new ATOM 0 HB2 ARG A 169 1.061 28.638 -3.056 1.00 23.11 H new ATOM 0 HB3 ARG A 169 -0.224 29.448 -2.700 1.00 23.11 H new ATOM 0 HG2 ARG A 169 -0.071 27.613 -4.858 1.00 23.53 H new ATOM 0 HG3 ARG A 169 -0.778 27.299 -3.504 1.00 23.53 H new ATOM 0 HD2 ARG A 169 -2.405 28.961 -3.972 1.00 23.27 H new ATOM 0 HD3 ARG A 169 -1.701 29.264 -5.330 1.00 23.27 H new ATOM 0 HE ARG A 169 -3.313 27.155 -4.877 1.00 24.36 H new ATOM 0 HH11 ARG A 169 -0.882 27.961 -7.049 1.00 23.62 H new ATOM 0 HH12 ARG A 169 -1.313 26.998 -8.100 1.00 23.62 H new ATOM 0 HH21 ARG A 169 -3.917 25.728 -6.491 1.00 23.52 H new ATOM 0 HH22 ARG A 169 -3.147 25.647 -7.764 1.00 23.52 H new ATOM 1267 N LEU A 170 0.554 32.359 -3.244 1.00 23.50 N ATOM 1268 CA LEU A 170 1.025 33.497 -2.449 1.00 23.96 C ATOM 1269 C LEU A 170 0.948 33.219 -0.969 1.00 24.91 C ATOM 1270 O LEU A 170 1.696 33.819 -0.172 1.00 25.23 O ATOM 1271 CB LEU A 170 0.268 34.777 -2.797 1.00 23.97 C ATOM 1272 CG LEU A 170 0.694 35.603 -4.010 1.00 24.93 C ATOM 1273 CD1 LEU A 170 -0.372 36.627 -4.454 1.00 25.98 C ATOM 1274 CD2 LEU A 170 2.048 36.360 -3.655 1.00 23.88 C ATOM 0 H LEU A 170 -0.243 32.447 -3.554 1.00 23.50 H new ATOM 0 HA LEU A 170 1.959 33.629 -2.676 1.00 23.96 H new ATOM 0 HB2 LEU A 170 -0.664 34.538 -2.922 1.00 23.97 H new ATOM 0 HB3 LEU A 170 0.310 35.358 -2.022 1.00 23.97 H new ATOM 0 HG LEU A 170 0.815 34.992 -4.754 1.00 24.93 H new ATOM 0 HD11 LEU A 170 -0.047 37.119 -5.224 1.00 25.98 H new ATOM 0 HD12 LEU A 170 -1.190 36.162 -4.690 1.00 25.98 H new ATOM 0 HD13 LEU A 170 -0.550 37.245 -3.728 1.00 25.98 H new ATOM 0 HD21 LEU A 170 2.332 36.890 -4.416 1.00 23.88 H new ATOM 0 HD22 LEU A 170 1.903 36.942 -2.893 1.00 23.88 H new ATOM 0 HD23 LEU A 170 2.735 35.710 -3.439 1.00 23.88 H new ATOM 1275 N GLU A 171 0.026 32.341 -0.555 1.00 24.35 N ATOM 1276 CA GLU A 171 -0.185 32.161 0.885 1.00 24.85 C ATOM 1277 C GLU A 171 1.130 31.976 1.674 1.00 24.21 C ATOM 1278 O GLU A 171 1.301 32.673 2.679 1.00 23.10 O ATOM 1279 CB GLU A 171 -1.126 30.993 1.214 1.00 25.09 C ATOM 1280 CG GLU A 171 -1.593 31.025 2.668 1.00 28.18 C ATOM 1281 CD GLU A 171 -2.636 29.947 2.954 1.00 37.39 C ATOM 1282 OE1 GLU A 171 -2.747 28.978 2.141 1.00 38.67 O ATOM 1283 OE2 GLU A 171 -3.323 30.057 4.003 1.00 40.10 O ATOM 0 H GLU A 171 -0.468 31.859 -1.068 1.00 24.35 H new ATOM 0 HA GLU A 171 -0.603 32.990 1.166 1.00 24.85 H new ATOM 0 HB2 GLU A 171 -1.897 31.025 0.627 1.00 25.09 H new ATOM 0 HB3 GLU A 171 -0.672 30.154 1.040 1.00 25.09 H new ATOM 0 HG2 GLU A 171 -0.831 30.901 3.255 1.00 28.18 H new ATOM 0 HG3 GLU A 171 -1.967 31.897 2.868 1.00 28.18 H new ATOM 1284 N PRO A 172 2.012 31.036 1.268 1.00 23.97 N ATOM 1285 CA PRO A 172 3.241 30.783 2.056 1.00 22.99 C ATOM 1286 C PRO A 172 4.167 32.010 2.146 1.00 22.07 C ATOM 1287 O PRO A 172 4.741 32.263 3.248 1.00 20.22 O ATOM 1288 CB PRO A 172 3.892 29.600 1.314 1.00 24.02 C ATOM 1289 CG PRO A 172 2.692 28.927 0.594 1.00 24.81 C ATOM 1290 CD PRO A 172 1.922 30.084 0.127 1.00 23.07 C ATOM 0 HA PRO A 172 3.051 30.588 2.987 1.00 22.99 H new ATOM 0 HB2 PRO A 172 4.566 29.900 0.684 1.00 24.02 H new ATOM 0 HB3 PRO A 172 4.330 28.989 1.928 1.00 24.02 H new ATOM 0 HG2 PRO A 172 2.980 28.363 -0.141 1.00 24.81 H new ATOM 0 HG3 PRO A 172 2.176 28.367 1.195 1.00 24.81 H new ATOM 0 HD2 PRO A 172 2.298 30.461 -0.684 1.00 23.07 H new ATOM 0 HD3 PRO A 172 1.002 29.847 -0.070 1.00 23.07 H new ATOM 1291 N TRP A 173 4.258 32.770 1.053 1.00 19.17 N ATOM 1292 CA TRP A 173 5.046 34.002 0.958 1.00 19.89 C ATOM 1293 C TRP A 173 4.423 35.141 1.828 1.00 20.31 C ATOM 1294 O TRP A 173 5.106 35.950 2.432 1.00 20.22 O ATOM 1295 CB TRP A 173 5.141 34.487 -0.512 1.00 18.46 C ATOM 1296 CG TRP A 173 5.984 33.628 -1.368 1.00 19.81 C ATOM 1297 CD1 TRP A 173 5.613 32.504 -2.073 1.00 20.36 C ATOM 1298 CD2 TRP A 173 7.391 33.814 -1.619 1.00 19.78 C ATOM 1299 NE1 TRP A 173 6.703 31.962 -2.734 1.00 19.79 N ATOM 1300 CE2 TRP A 173 7.802 32.762 -2.508 1.00 21.90 C ATOM 1301 CE3 TRP A 173 8.341 34.784 -1.214 1.00 20.95 C ATOM 1302 CZ2 TRP A 173 9.140 32.606 -2.944 1.00 21.49 C ATOM 1303 CZ3 TRP A 173 9.701 34.633 -1.674 1.00 19.01 C ATOM 1304 CH2 TRP A 173 10.063 33.566 -2.536 1.00 19.29 C ATOM 0 H TRP A 173 3.849 32.576 0.322 1.00 19.17 H new ATOM 0 HA TRP A 173 5.935 33.798 1.289 1.00 19.89 H new ATOM 0 HB2 TRP A 173 4.248 34.528 -0.889 1.00 18.46 H new ATOM 0 HB3 TRP A 173 5.496 35.390 -0.524 1.00 18.46 H new ATOM 0 HD1 TRP A 173 4.751 32.157 -2.101 1.00 20.36 H new ATOM 0 HE1 TRP A 173 6.695 31.244 -3.208 1.00 19.79 H new ATOM 0 HE3 TRP A 173 8.096 35.496 -0.668 1.00 20.95 H new ATOM 0 HZ2 TRP A 173 9.393 31.891 -3.482 1.00 21.49 H new ATOM 0 HZ3 TRP A 173 10.348 35.243 -1.402 1.00 19.01 H new ATOM 0 HH2 TRP A 173 10.941 33.506 -2.837 1.00 19.29 H new ATOM 1305 N GLN A 174 3.091 35.260 1.819 1.00 21.10 N ATOM 1306 CA GLN A 174 2.491 36.278 2.632 1.00 20.59 C ATOM 1307 C GLN A 174 2.626 35.927 4.120 1.00 20.34 C ATOM 1308 O GLN A 174 2.843 36.833 4.952 1.00 22.10 O ATOM 1309 CB GLN A 174 0.999 36.410 2.291 1.00 20.73 C ATOM 1310 CG GLN A 174 0.361 37.508 3.076 1.00 23.16 C ATOM 1311 CD GLN A 174 0.814 38.881 2.700 1.00 27.43 C ATOM 1312 OE1 GLN A 174 0.748 39.292 1.534 1.00 27.40 O ATOM 1313 NE2 GLN A 174 1.274 39.626 3.696 1.00 31.97 N ATOM 0 H GLN A 174 2.548 34.774 1.363 1.00 21.10 H new ATOM 0 HA GLN A 174 2.948 37.115 2.455 1.00 20.59 H new ATOM 0 HB2 GLN A 174 0.896 36.585 1.343 1.00 20.73 H new ATOM 0 HB3 GLN A 174 0.547 35.572 2.476 1.00 20.73 H new ATOM 0 HG2 GLN A 174 -0.601 37.455 2.963 1.00 23.16 H new ATOM 0 HG3 GLN A 174 0.544 37.366 4.018 1.00 23.16 H new ATOM 0 HE21 GLN A 174 1.305 39.306 4.494 1.00 31.97 H new ATOM 0 HE22 GLN A 174 1.541 40.429 3.544 1.00 31.97 H new ATOM 1314 N ALA A 175 2.495 34.645 4.459 1.00 20.23 N ATOM 1315 CA ALA A 175 2.642 34.187 5.855 1.00 21.06 C ATOM 1316 C ALA A 175 4.076 34.477 6.349 1.00 21.08 C ATOM 1317 O ALA A 175 4.331 34.765 7.543 1.00 20.37 O ATOM 1318 CB ALA A 175 2.348 32.707 5.966 1.00 21.53 C ATOM 0 H ALA A 175 2.320 34.017 3.898 1.00 20.23 H new ATOM 0 HA ALA A 175 2.006 34.668 6.408 1.00 21.06 H new ATOM 0 HB1 ALA A 175 2.450 32.425 6.889 1.00 21.53 H new ATOM 0 HB2 ALA A 175 1.439 32.535 5.674 1.00 21.53 H new ATOM 0 HB3 ALA A 175 2.966 32.211 5.407 1.00 21.53 H new ATOM 1319 N LEU A 176 5.009 34.319 5.423 1.00 20.81 N ATOM 1320 CA LEU A 176 6.402 34.593 5.731 1.00 19.11 C ATOM 1321 C LEU A 176 6.570 36.061 5.981 1.00 20.01 C ATOM 1322 O LEU A 176 7.209 36.451 7.000 1.00 20.28 O ATOM 1323 CB LEU A 176 7.315 34.094 4.579 1.00 18.69 C ATOM 1324 CG LEU A 176 8.792 34.347 4.847 1.00 17.73 C ATOM 1325 CD1 LEU A 176 9.289 33.700 6.121 1.00 17.40 C ATOM 1326 CD2 LEU A 176 9.596 33.869 3.624 1.00 18.07 C ATOM 0 H LEU A 176 4.859 34.057 4.618 1.00 20.81 H new ATOM 0 HA LEU A 176 6.665 34.115 6.533 1.00 19.11 H new ATOM 0 HB2 LEU A 176 7.172 33.144 4.447 1.00 18.69 H new ATOM 0 HB3 LEU A 176 7.060 34.536 3.754 1.00 18.69 H new ATOM 0 HG LEU A 176 8.918 35.299 4.982 1.00 17.73 H new ATOM 0 HD11 LEU A 176 10.232 33.896 6.237 1.00 17.40 H new ATOM 0 HD12 LEU A 176 8.791 34.049 6.877 1.00 17.40 H new ATOM 0 HD13 LEU A 176 9.163 32.740 6.067 1.00 17.40 H new ATOM 0 HD21 LEU A 176 10.541 34.023 3.778 1.00 18.07 H new ATOM 0 HD22 LEU A 176 9.441 32.922 3.485 1.00 18.07 H new ATOM 0 HD23 LEU A 176 9.312 34.361 2.838 1.00 18.07 H new ATOM 1327 N GLY A 177 6.015 36.882 5.089 1.00 19.63 N ATOM 1328 CA GLY A 177 6.017 38.352 5.204 1.00 21.51 C ATOM 1329 C GLY A 177 5.488 38.792 6.586 1.00 22.51 C ATOM 1330 O GLY A 177 6.045 39.690 7.238 1.00 23.34 O ATOM 0 H GLY A 177 5.616 36.598 4.382 1.00 19.63 H new ATOM 0 HA2 GLY A 177 6.917 38.690 5.074 1.00 21.51 H new ATOM 0 HA3 GLY A 177 5.466 38.737 4.504 1.00 21.51 H new ATOM 1331 N ASP A 178 4.418 38.155 7.002 1.00 24.06 N ATOM 1332 CA ASP A 178 3.738 38.483 8.265 1.00 25.47 C ATOM 1333 C ASP A 178 4.626 38.102 9.422 1.00 25.73 C ATOM 1334 O ASP A 178 4.722 38.860 10.409 1.00 27.49 O ATOM 1335 CB ASP A 178 2.507 37.605 8.363 1.00 25.80 C ATOM 1336 CG ASP A 178 1.386 38.088 7.472 1.00 26.71 C ATOM 1337 OD1 ASP A 178 1.460 39.220 6.877 1.00 27.72 O ATOM 1338 OD2 ASP A 178 0.390 37.376 7.346 1.00 30.58 O ATOM 0 H ASP A 178 4.051 37.511 6.566 1.00 24.06 H new ATOM 0 HA ASP A 178 3.524 39.429 8.288 1.00 25.47 H new ATOM 0 HB2 ASP A 178 2.741 36.695 8.121 1.00 25.80 H new ATOM 0 HB3 ASP A 178 2.200 37.584 9.283 1.00 25.80 H new ATOM 1339 N ARG A 179 5.218 36.914 9.313 1.00 25.02 N ATOM 1340 CA ARG A 179 6.173 36.383 10.308 1.00 24.23 C ATOM 1341 C ARG A 179 7.423 37.263 10.493 1.00 24.07 C ATOM 1342 O ARG A 179 7.882 37.467 11.635 1.00 23.71 O ATOM 1343 CB ARG A 179 6.598 34.965 9.973 1.00 23.32 C ATOM 1344 CG ARG A 179 7.562 34.367 11.019 1.00 23.17 C ATOM 1345 CD ARG A 179 6.936 34.253 12.423 1.00 24.91 C ATOM 1346 NE ARG A 179 7.858 33.656 13.360 1.00 22.46 N ATOM 1347 CZ ARG A 179 7.969 34.040 14.639 1.00 24.69 C ATOM 1348 NH1 ARG A 179 7.183 35.001 15.126 1.00 21.76 N ATOM 1349 NH2 ARG A 179 8.864 33.449 15.417 1.00 23.41 N ATOM 0 H ARG A 179 5.079 36.381 8.653 1.00 25.02 H new ATOM 0 HA ARG A 179 5.689 36.387 11.149 1.00 24.23 H new ATOM 0 HB2 ARG A 179 5.810 34.403 9.907 1.00 23.32 H new ATOM 0 HB3 ARG A 179 7.026 34.957 9.103 1.00 23.32 H new ATOM 0 HG2 ARG A 179 7.845 33.487 10.724 1.00 23.17 H new ATOM 0 HG3 ARG A 179 8.358 34.919 11.070 1.00 23.17 H new ATOM 0 HD2 ARG A 179 6.677 35.134 12.737 1.00 24.91 H new ATOM 0 HD3 ARG A 179 6.127 33.719 12.377 1.00 24.91 H new ATOM 0 HE ARG A 179 8.364 33.019 13.082 1.00 22.46 H new ATOM 0 HH11 ARG A 179 6.600 35.378 14.618 1.00 21.76 H new ATOM 0 HH12 ARG A 179 7.259 35.243 15.948 1.00 21.76 H new ATOM 0 HH21 ARG A 179 9.365 32.827 15.100 1.00 23.41 H new ATOM 0 HH22 ARG A 179 8.943 33.688 16.239 1.00 23.41 H new ATOM 1350 N VAL A 180 7.952 37.786 9.385 1.00 22.95 N ATOM 1351 CA VAL A 180 9.070 38.726 9.432 1.00 23.14 C ATOM 1352 C VAL A 180 8.639 40.048 10.105 1.00 24.70 C ATOM 1353 O VAL A 180 9.350 40.573 10.992 1.00 23.24 O ATOM 1354 CB VAL A 180 9.685 38.953 8.009 1.00 22.42 C ATOM 1355 CG1 VAL A 180 10.603 40.183 7.977 1.00 20.00 C ATOM 1356 CG2 VAL A 180 10.399 37.708 7.583 1.00 20.78 C ATOM 0 H VAL A 180 7.674 37.606 8.591 1.00 22.95 H new ATOM 0 HA VAL A 180 9.773 38.340 9.977 1.00 23.14 H new ATOM 0 HB VAL A 180 8.971 39.136 7.378 1.00 22.42 H new ATOM 0 HG11 VAL A 180 10.965 40.293 7.084 1.00 20.00 H new ATOM 0 HG12 VAL A 180 10.095 40.973 8.219 1.00 20.00 H new ATOM 0 HG13 VAL A 180 11.330 40.061 8.608 1.00 20.00 H new ATOM 0 HG21 VAL A 180 10.783 37.840 6.702 1.00 20.78 H new ATOM 0 HG22 VAL A 180 11.106 37.507 8.216 1.00 20.78 H new ATOM 0 HG23 VAL A 180 9.772 36.969 7.554 1.00 20.78 H new ATOM 1357 N ARG A 181 7.482 40.577 9.685 1.00 25.23 N ATOM 1358 CA ARG A 181 6.874 41.747 10.341 1.00 28.22 C ATOM 1359 C ARG A 181 6.730 41.533 11.859 1.00 27.03 C ATOM 1360 O ARG A 181 7.059 42.400 12.659 1.00 27.56 O ATOM 1361 CB ARG A 181 5.491 41.936 9.719 1.00 27.25 C ATOM 1362 CG ARG A 181 4.797 43.263 9.920 1.00 32.31 C ATOM 1363 CD ARG A 181 3.741 43.507 8.778 1.00 32.00 C ATOM 1364 NE ARG A 181 4.393 43.427 7.458 1.00 37.75 N ATOM 1365 CZ ARG A 181 4.178 42.494 6.497 1.00 42.95 C ATOM 1366 NH1 ARG A 181 3.270 41.510 6.622 1.00 44.81 N ATOM 1367 NH2 ARG A 181 4.891 42.555 5.373 1.00 39.54 N ATOM 0 H ARG A 181 7.031 40.272 9.019 1.00 25.23 H new ATOM 0 HA ARG A 181 7.437 42.526 10.213 1.00 28.22 H new ATOM 0 HB2 ARG A 181 5.572 41.785 8.764 1.00 27.25 H new ATOM 0 HB3 ARG A 181 4.911 41.242 10.068 1.00 27.25 H new ATOM 0 HG2 ARG A 181 4.357 43.277 10.784 1.00 32.31 H new ATOM 0 HG3 ARG A 181 5.451 43.980 9.923 1.00 32.31 H new ATOM 0 HD2 ARG A 181 3.032 42.847 8.837 1.00 32.00 H new ATOM 0 HD3 ARG A 181 3.328 44.378 8.890 1.00 32.00 H new ATOM 0 HE ARG A 181 4.972 44.037 7.278 1.00 37.75 H new ATOM 0 HH11 ARG A 181 2.794 41.452 7.336 1.00 44.81 H new ATOM 0 HH12 ARG A 181 3.165 40.938 5.988 1.00 44.81 H new ATOM 0 HH21 ARG A 181 5.475 43.178 5.267 1.00 39.54 H new ATOM 0 HH22 ARG A 181 4.768 41.972 4.753 1.00 39.54 H new ATOM 1368 N GLU A 182 6.234 40.365 12.232 1.00 26.13 N ATOM 1369 CA GLU A 182 6.002 39.985 13.631 1.00 26.56 C ATOM 1370 C GLU A 182 7.318 39.908 14.426 1.00 25.84 C ATOM 1371 O GLU A 182 7.392 40.297 15.594 1.00 25.00 O ATOM 1372 CB GLU A 182 5.358 38.617 13.610 1.00 26.29 C ATOM 1373 CG GLU A 182 5.122 37.943 14.939 1.00 29.61 C ATOM 1374 CD GLU A 182 4.335 36.646 14.799 1.00 29.92 C ATOM 1375 OE1 GLU A 182 3.255 36.527 15.440 1.00 39.60 O ATOM 1376 OE2 GLU A 182 4.765 35.720 14.080 1.00 33.58 O ATOM 0 H GLU A 182 6.015 39.751 11.671 1.00 26.13 H new ATOM 0 HA GLU A 182 5.441 40.650 14.061 1.00 26.56 H new ATOM 0 HB2 GLU A 182 4.504 38.694 13.157 1.00 26.29 H new ATOM 0 HB3 GLU A 182 5.913 38.032 13.071 1.00 26.29 H new ATOM 0 HG2 GLU A 182 5.975 37.757 15.361 1.00 29.61 H new ATOM 0 HG3 GLU A 182 4.642 38.548 15.525 1.00 29.61 H new ATOM 1377 N LEU A 183 8.355 39.367 13.801 1.00 24.30 N ATOM 1378 CA LEU A 183 9.657 39.292 14.473 1.00 24.06 C ATOM 1379 C LEU A 183 10.270 40.676 14.634 1.00 25.17 C ATOM 1380 O LEU A 183 10.742 41.015 15.719 1.00 25.36 O ATOM 1381 CB LEU A 183 10.610 38.376 13.700 1.00 23.43 C ATOM 1382 CG LEU A 183 10.421 36.893 13.949 1.00 22.09 C ATOM 1383 CD1 LEU A 183 11.145 36.085 12.850 1.00 23.28 C ATOM 1384 CD2 LEU A 183 10.872 36.469 15.375 1.00 26.32 C ATOM 0 H LEU A 183 8.334 39.042 13.005 1.00 24.30 H new ATOM 0 HA LEU A 183 9.515 38.919 15.357 1.00 24.06 H new ATOM 0 HB2 LEU A 183 10.502 38.547 12.751 1.00 23.43 H new ATOM 0 HB3 LEU A 183 11.522 38.614 13.929 1.00 23.43 H new ATOM 0 HG LEU A 183 9.472 36.697 13.905 1.00 22.09 H new ATOM 0 HD11 LEU A 183 11.023 35.136 13.012 1.00 23.28 H new ATOM 0 HD12 LEU A 183 10.776 36.315 11.983 1.00 23.28 H new ATOM 0 HD13 LEU A 183 12.092 36.295 12.864 1.00 23.28 H new ATOM 0 HD21 LEU A 183 10.733 35.516 15.488 1.00 26.32 H new ATOM 0 HD22 LEU A 183 11.813 36.674 15.491 1.00 26.32 H new ATOM 0 HD23 LEU A 183 10.352 36.952 16.036 1.00 26.32 H new ATOM 1385 N ARG A 184 10.301 41.455 13.558 1.00 26.17 N ATOM 1386 CA ARG A 184 10.912 42.776 13.560 1.00 28.89 C ATOM 1387 C ARG A 184 10.106 43.701 14.487 1.00 30.26 C ATOM 1388 O ARG A 184 10.645 44.650 15.040 1.00 32.30 O ATOM 1389 CB ARG A 184 11.050 43.331 12.125 1.00 28.18 C ATOM 1390 CG ARG A 184 12.000 42.486 11.246 1.00 29.05 C ATOM 1391 CD ARG A 184 12.258 43.042 9.852 1.00 30.51 C ATOM 1392 NE ARG A 184 13.072 44.253 9.855 1.00 34.24 N ATOM 1393 CZ ARG A 184 14.380 44.309 10.160 1.00 35.60 C ATOM 1394 NH1 ARG A 184 15.071 43.211 10.542 1.00 33.21 N ATOM 1395 NH2 ARG A 184 14.997 45.487 10.094 1.00 37.05 N ATOM 0 H ARG A 184 9.964 41.228 12.800 1.00 26.17 H new ATOM 0 HA ARG A 184 11.816 42.720 13.906 1.00 28.89 H new ATOM 0 HB2 ARG A 184 10.174 43.363 11.709 1.00 28.18 H new ATOM 0 HB3 ARG A 184 11.378 44.243 12.165 1.00 28.18 H new ATOM 0 HG2 ARG A 184 12.850 42.397 11.706 1.00 29.05 H new ATOM 0 HG3 ARG A 184 11.630 41.594 11.159 1.00 29.05 H new ATOM 0 HD2 ARG A 184 12.700 42.364 9.317 1.00 30.51 H new ATOM 0 HD3 ARG A 184 11.408 43.232 9.424 1.00 30.51 H new ATOM 0 HE ARG A 184 12.683 44.991 9.645 1.00 34.24 H new ATOM 0 HH11 ARG A 184 14.674 42.450 10.595 1.00 33.21 H new ATOM 0 HH12 ARG A 184 15.907 43.274 10.732 1.00 33.21 H new ATOM 0 HH21 ARG A 184 14.559 46.189 9.860 1.00 37.05 H new ATOM 0 HH22 ARG A 184 15.833 45.546 10.285 1.00 37.05 H new ATOM 1396 N GLY A 185 8.834 43.385 14.690 1.00 31.02 N ATOM 1397 CA GLY A 185 8.008 44.178 15.610 1.00 32.34 C ATOM 1398 C GLY A 185 8.207 43.789 17.071 1.00 32.90 C ATOM 1399 O GLY A 185 8.147 44.649 17.962 1.00 33.22 O ATOM 0 H GLY A 185 8.429 42.726 14.314 1.00 31.02 H new ATOM 0 HA2 GLY A 185 8.219 45.118 15.499 1.00 32.34 H new ATOM 0 HA3 GLY A 185 7.073 44.068 15.375 1.00 32.34 H new ATOM 1400 N ALA A 186 8.388 42.489 17.335 1.00 32.85 N ATOM 1401 CA ALA A 186 8.741 42.032 18.691 1.00 34.37 C ATOM 1402 C ALA A 186 10.118 42.650 19.033 1.00 36.34 C ATOM 1403 O ALA A 186 10.313 43.158 20.141 1.00 36.71 O ATOM 1404 CB ALA A 186 8.803 40.518 18.761 1.00 33.13 C ATOM 0 H ALA A 186 8.313 41.861 16.752 1.00 32.85 H new ATOM 0 HA ALA A 186 8.066 42.314 19.328 1.00 34.37 H new ATOM 0 HB1 ALA A 186 9.037 40.245 19.662 1.00 33.13 H new ATOM 0 HB2 ALA A 186 7.938 40.147 18.525 1.00 33.13 H new ATOM 0 HB3 ALA A 186 9.474 40.192 18.141 1.00 33.13 H new ATOM 1405 N ALA A 187 11.048 42.612 18.067 1.00 38.06 N ATOM 1406 CA ALA A 187 12.384 43.195 18.227 1.00 41.32 C ATOM 1407 C ALA A 187 12.276 44.597 18.805 1.00 43.37 C ATOM 1408 O ALA A 187 12.904 44.907 19.826 1.00 43.97 O ATOM 1409 CB ALA A 187 13.136 43.230 16.900 1.00 40.88 C ATOM 0 H ALA A 187 10.918 42.246 17.300 1.00 38.06 H new ATOM 0 HA ALA A 187 12.885 42.634 18.840 1.00 41.32 H new ATOM 0 HB1 ALA A 187 14.014 43.619 17.036 1.00 40.88 H new ATOM 0 HB2 ALA A 187 13.232 42.327 16.559 1.00 40.88 H new ATOM 0 HB3 ALA A 187 12.640 43.766 16.261 1.00 40.88 H new ATOM 1410 N GLU A 188 11.461 45.431 18.159 1.00 45.55 N ATOM 1411 CA GLU A 188 11.301 46.830 18.581 1.00 47.46 C ATOM 1412 C GLU A 188 10.606 46.987 19.936 1.00 48.10 C ATOM 1413 O GLU A 188 10.996 47.861 20.716 1.00 48.65 O ATOM 1414 CB GLU A 188 10.582 47.640 17.496 1.00 47.98 C ATOM 1415 CG GLU A 188 11.287 47.609 16.137 1.00 50.94 C ATOM 1416 CD GLU A 188 12.761 48.007 16.217 1.00 54.70 C ATOM 1417 OE1 GLU A 188 13.045 49.177 16.579 1.00 56.71 O ATOM 1418 OE2 GLU A 188 13.638 47.152 15.921 1.00 55.20 O ATOM 0 H GLU A 188 10.991 45.210 17.474 1.00 45.55 H new ATOM 0 HA GLU A 188 12.196 47.183 18.702 1.00 47.46 H new ATOM 0 HB2 GLU A 188 9.680 47.297 17.392 1.00 47.98 H new ATOM 0 HB3 GLU A 188 10.503 48.561 17.790 1.00 47.98 H new ATOM 0 HG2 GLU A 188 11.218 46.716 15.763 1.00 50.94 H new ATOM 0 HG3 GLU A 188 10.828 48.208 15.527 1.00 50.94 H new ATOM 1419 N ALA A 189 9.600 46.149 20.215 1.00 48.70 N ATOM 1420 CA ALA A 189 8.857 46.207 21.491 1.00 49.42 C ATOM 1421 C ALA A 189 9.649 45.722 22.724 1.00 49.72 C ATOM 1422 O ALA A 189 10.556 44.873 22.627 1.00 50.40 O ATOM 1423 CB ALA A 189 7.496 45.468 21.377 1.00 49.41 C ATOM 0 H ALA A 189 9.328 45.535 19.678 1.00 48.70 H new ATOM 0 HA ALA A 189 8.698 47.151 21.648 1.00 49.42 H new ATOM 0 HB1 ALA A 189 7.028 45.520 22.225 1.00 49.41 H new ATOM 0 HB2 ALA A 189 6.958 45.884 20.685 1.00 49.41 H new ATOM 0 HB3 ALA A 189 7.651 44.538 21.150 1.00 49.41 H new TER 1424 ALA A 189 HETATM 1425 C ACT A1190 19.124 32.673 -7.391 1.00 25.67 C HETATM 1426 O ACT A1190 20.376 32.915 -7.450 1.00 23.31 O HETATM 1427 OXT ACT A1190 18.461 31.806 -6.664 1.00 24.86 O HETATM 1428 CH3 ACT A1190 18.357 33.589 -8.295 1.00 22.16 C HETATM 0 H3 ACT A1190 18.509 34.509 -8.028 1.00 22.16 H new HETATM 0 H2 ACT A1190 18.655 33.465 -9.210 1.00 22.16 H new HETATM 0 H1 ACT A1190 17.410 33.387 -8.233 1.00 22.16 H new HETATM 1429 O HOH A2001 30.116 33.848 4.484 1.00 26.64 O HETATM 1430 O HOH A2002 34.671 37.474 -0.633 1.00 27.12 O HETATM 1431 O HOH A2003 35.166 29.219 0.288 1.00 37.49 O HETATM 1432 O HOH A2004 35.636 28.613 -2.380 1.00 29.84 O HETATM 1433 O HOH A2005 35.827 31.535 1.014 1.00 24.27 O HETATM 1434 O HOH A2006 28.865 33.169 -14.611 1.00 33.95 O HETATM 1435 O HOH A2007 34.761 35.443 -8.473 1.00 55.71 O HETATM 1436 O HOH A2008 35.987 24.648 -5.324 1.00 49.87 O HETATM 1437 O HOH A2009 29.861 39.294 8.843 1.00 46.76 O HETATM 1438 O HOH A2010 32.439 28.156 -0.186 1.00 27.23 O HETATM 1439 O HOH A2011 28.652 35.248 -12.653 1.00 26.10 O HETATM 1440 O HOH A2012 30.209 37.654 -8.799 1.00 28.19 O HETATM 1441 O HOH A2013 26.979 40.800 -0.936 1.00 15.09 O HETATM 1442 O HOH A2014 29.242 33.267 2.088 1.00 16.90 O HETATM 1443 O HOH A2015 29.364 39.125 5.977 1.00 35.79 O HETATM 1444 O HOH A2016 24.435 39.310 -21.243 1.00 40.61 O HETATM 1445 O HOH A2017 22.037 42.512 10.209 1.00 29.56 O HETATM 1446 O HOH A2018 21.956 36.443 10.187 1.00 17.88 O HETATM 1447 O HOH A2019 22.827 46.049 7.923 1.00 35.76 O HETATM 1448 O HOH A2020 13.963 42.093 -14.047 1.00 38.36 O HETATM 1449 O HOH A2021 19.358 37.166 13.677 1.00 27.22 O HETATM 1450 O HOH A2022 15.443 26.496 -2.587 1.00 17.15 O HETATM 1451 O HOH A2023 9.303 43.377 7.436 1.00 30.59 O HETATM 1452 O HOH A2024 6.497 51.372 -4.781 1.00 45.90 O HETATM 1453 O HOH A2025 18.016 32.758 -10.740 1.00 18.73 O HETATM 1454 O HOH A2026 16.016 34.160 -12.561 1.00 11.86 O HETATM 1455 O HOH A2027 18.990 29.025 -16.478 1.00 23.03 O HETATM 1456 O HOH A2028 21.571 38.542 -17.609 1.00 25.45 O HETATM 1457 O HOH A2029 10.458 52.503 2.058 1.00 41.66 O HETATM 1458 O HOH A2030 21.409 38.175 -20.042 1.00 33.63 O HETATM 1459 O HOH A2031 21.230 31.408 -20.214 1.00 36.78 O HETATM 1460 O HOH A2032 23.482 43.107 -14.222 1.00 33.96 O HETATM 1461 O HOH A2033 23.929 43.164 -10.167 1.00 33.28 O HETATM 1462 O HOH A2034 31.962 38.202 -10.939 1.00 41.43 O HETATM 1463 O HOH A2035 32.380 43.670 -12.228 1.00 26.62 O HETATM 1464 O HOH A2036 34.010 42.971 -14.052 1.00 41.39 O HETATM 1465 O HOH A2037 13.729 19.299 -12.204 1.00 36.30 O HETATM 1466 O HOH A2038 13.533 39.587 -12.276 1.00 21.03 O HETATM 1467 O HOH A2039 18.158 33.044 -3.161 1.00 14.44 O HETATM 1468 O HOH A2040 11.755 35.375 -19.207 1.00 31.40 O HETATM 1469 O HOH A2041 29.299 24.735 11.608 1.00 43.66 O HETATM 1470 O HOH A2042 26.792 33.556 16.979 1.00 39.62 O HETATM 1471 O HOH A2043 6.887 32.995 -19.197 1.00 46.60 O HETATM 1472 O HOH A2044 11.517 33.186 -18.824 1.00 34.58 O HETATM 1473 O HOH A2045 26.708 38.347 16.479 1.00 41.61 O HETATM 1474 O HOH A2046 13.886 32.217 -13.276 1.00 20.62 O HETATM 1475 O HOH A2047 13.056 30.850 -8.871 1.00 16.29 O HETATM 1476 O HOH A2048 12.184 38.142 -9.519 1.00 21.42 O HETATM 1477 O HOH A2049 15.835 31.379 -10.340 1.00 34.56 O HETATM 1478 O HOH A2050 11.424 43.586 -4.053 1.00 20.24 O HETATM 1479 O HOH A2051 9.502 39.853 -9.830 1.00 20.93 O HETATM 1480 O HOH A2052 3.629 38.066 -6.719 1.00 30.53 O HETATM 1481 O HOH A2053 5.457 45.589 -7.353 1.00 33.58 O HETATM 1482 O HOH A2054 7.591 41.668 6.066 1.00 35.84 O HETATM 1483 O HOH A2055 11.641 43.304 5.796 1.00 27.79 O HETATM 1484 O HOH A2056 13.905 49.668 -6.543 1.00 34.20 O HETATM 1485 O HOH A2057 7.843 49.342 -6.552 1.00 35.02 O HETATM 1486 O HOH A2058 11.617 41.367 -11.348 1.00 27.76 O HETATM 1487 O HOH A2059 12.143 43.749 -10.362 1.00 24.97 O HETATM 1488 O HOH A2060 -0.250 24.709 -2.389 1.00 30.17 O HETATM 1489 O HOH A2061 23.143 44.970 -5.000 1.00 18.43 O HETATM 1490 O HOH A2062 24.950 44.807 -8.480 0.50 20.36 O HETATM 1491 O HOH A2063 23.820 47.234 -15.269 1.00 40.92 O HETATM 1492 O HOH A2064 21.763 48.409 -8.695 1.00 31.42 O HETATM 1493 O HOH A2065 0.279 26.988 -0.846 1.00 28.18 O HETATM 1494 O HOH A2066 19.754 51.894 -6.517 1.00 25.46 O HETATM 1495 O HOH A2067 26.915 41.346 -7.982 1.00 20.74 O HETATM 1496 O HOH A2068 25.707 43.967 -5.971 0.50 12.16 O HETATM 1497 O HOH A2069 27.296 41.630 -3.540 1.00 13.50 O HETATM 1498 O HOH A2070 24.725 46.489 1.198 1.00 34.86 O HETATM 1499 O HOH A2071 16.464 48.485 -1.867 1.00 31.98 O HETATM 1500 O HOH A2072 17.765 51.787 5.293 1.00 37.45 O HETATM 1501 O HOH A2073 13.443 51.757 2.201 1.00 30.77 O HETATM 1502 O HOH A2074 23.899 32.653 -6.103 1.00 14.51 O HETATM 1503 O HOH A2075 26.331 32.112 -7.452 1.00 17.25 O HETATM 1504 O HOH A2076 27.869 25.853 -3.838 1.00 23.66 O HETATM 1505 O HOH A2077 29.852 26.729 -13.367 1.00 35.98 O HETATM 1506 O HOH A2078 29.926 24.543 -5.433 1.00 23.46 O HETATM 1507 O HOH A2079 32.343 21.550 -11.634 1.00 40.56 O HETATM 1508 O HOH A2080 27.474 30.663 -15.575 1.00 33.96 O HETATM 1509 O HOH A2081 27.332 26.384 -14.613 1.00 30.88 O HETATM 1510 O HOH A2082 26.093 24.044 -14.663 1.00 32.69 O HETATM 1511 O HOH A2083 23.554 28.566 -17.214 1.00 26.18 O HETATM 1512 O HOH A2084 23.372 24.498 -16.613 1.00 40.36 O HETATM 1513 O HOH A2085 18.375 27.904 -11.437 1.00 28.41 O HETATM 1514 O HOH A2086 20.529 24.725 -17.303 1.00 21.13 O HETATM 1515 O HOH A2087 19.840 17.754 -10.954 1.00 33.42 O HETATM 1516 O HOH A2088 15.907 25.145 -11.314 1.00 37.11 O HETATM 1517 O HOH A2089 14.926 21.381 -13.406 1.00 34.14 O HETATM 1518 O HOH A2090 24.897 22.294 -16.385 1.00 33.26 O HETATM 1519 O HOH A2091 22.404 17.468 -10.132 1.00 30.15 O HETATM 1520 O HOH A2092 30.856 21.979 -5.682 1.00 33.50 O HETATM 1521 O HOH A2093 27.852 24.979 -7.256 1.00 19.37 O HETATM 1522 O HOH A2094 27.106 17.934 -4.579 1.00 19.39 O HETATM 1523 O HOH A2095 25.828 26.121 -0.698 1.00 21.86 O HETATM 1524 O HOH A2096 31.692 21.902 3.980 1.00 41.41 O HETATM 1525 O HOH A2097 28.321 21.605 7.135 1.00 44.03 O HETATM 1526 O HOH A2098 28.305 27.220 -1.348 1.00 19.46 O HETATM 1527 O HOH A2099 23.099 24.982 10.491 1.00 32.71 O HETATM 1528 O HOH A2100 29.803 27.280 10.697 1.00 33.71 O HETATM 1529 O HOH A2101 25.223 28.550 0.570 1.00 16.33 O HETATM 1530 O HOH A2102 28.631 29.183 15.648 1.00 39.69 O HETATM 1531 O HOH A2103 27.255 31.687 15.343 1.00 36.60 O HETATM 1532 O HOH A2104 25.855 35.539 14.798 1.00 34.59 O HETATM 1533 O HOH A2105 27.497 35.715 12.967 1.00 36.60 O HETATM 1534 O HOH A2106 23.325 36.329 14.266 1.00 28.04 O HETATM 1535 O HOH A2107 19.341 34.125 15.611 1.00 34.70 O HETATM 1536 O HOH A2108 24.462 26.208 19.585 1.00 33.22 O HETATM 1537 O HOH A2109 23.327 26.444 16.960 1.00 34.61 O HETATM 1538 O HOH A2110 15.588 38.342 16.788 1.00 32.00 O HETATM 1539 O HOH A2111 11.812 30.757 -6.413 1.00 14.92 O HETATM 1540 O HOH A2112 14.712 28.124 -5.701 1.00 21.58 O HETATM 1541 O HOH A2113 8.679 24.617 -5.558 1.00 23.95 O HETATM 1542 O HOH A2114 11.153 22.813 -6.726 1.00 19.62 O HETATM 1543 O HOH A2115 14.016 20.196 -9.592 1.00 29.05 O HETATM 1544 O HOH A2116 16.533 16.870 -11.205 1.00 36.53 O HETATM 1545 O HOH A2117 15.461 17.022 -4.657 1.00 36.67 O HETATM 1546 O HOH A2118 17.245 14.953 -1.763 1.00 36.53 O HETATM 1547 O HOH A2119 19.882 14.824 -2.771 1.00 38.66 O HETATM 1548 O HOH A2120 22.406 17.802 -2.130 1.00 31.36 O HETATM 1549 O HOH A2121 12.591 14.739 -4.739 1.00 38.61 O HETATM 1550 O HOH A2122 1.728 22.665 1.113 1.00 41.82 O HETATM 1551 O HOH A2123 2.986 23.093 -5.788 1.00 45.53 O HETATM 1552 O HOH A2124 3.866 24.459 6.962 1.00 29.94 O HETATM 1553 O HOH A2125 10.205 19.386 6.417 1.00 46.00 O HETATM 1554 O HOH A2126 11.443 25.466 11.519 1.00 29.29 O HETATM 1555 O HOH A2127 10.648 26.959 15.228 1.00 39.39 O HETATM 1556 O HOH A2128 16.327 21.366 14.222 1.00 32.70 O HETATM 1557 O HOH A2129 17.552 19.252 9.084 1.00 45.34 O HETATM 1558 O HOH A2130 22.553 22.470 10.100 1.00 27.95 O HETATM 1559 O HOH A2131 16.638 23.316 15.934 1.00 31.35 O HETATM 1560 O HOH A2132 19.548 23.195 18.033 1.00 35.41 O HETATM 1561 O HOH A2133 12.911 28.913 15.607 1.00 36.65 O HETATM 1562 O HOH A2134 20.366 26.984 18.957 1.00 37.33 O HETATM 1563 O HOH A2135 13.121 26.045 18.683 1.00 50.15 O HETATM 1564 O HOH A2136 13.127 31.829 14.697 1.00 40.33 O HETATM 1565 O HOH A2137 19.290 29.665 17.744 1.00 40.55 O HETATM 1566 O HOH A2138 16.564 28.923 21.728 1.00 44.28 O HETATM 1567 O HOH A2139 19.507 31.390 15.579 1.00 32.19 O HETATM 1568 O HOH A2140 6.580 30.151 12.131 1.00 34.58 O HETATM 1569 O HOH A2141 5.482 27.451 -8.063 1.00 27.23 O HETATM 1570 O HOH A2142 12.786 27.839 -8.361 1.00 30.06 O HETATM 1571 O HOH A2143 6.026 30.514 -10.290 1.00 26.38 O HETATM 1572 O HOH A2144 11.071 28.654 -15.156 1.00 32.59 O HETATM 1573 O HOH A2145 2.608 28.113 -15.303 1.00 57.75 O HETATM 1574 O HOH A2146 0.900 24.758 -5.505 1.00 29.98 O HETATM 1575 O HOH A2147 -2.543 24.520 -9.188 1.00 35.10 O HETATM 1576 O HOH A2148 -2.240 31.181 -1.772 1.00 22.10 O HETATM 1577 O HOH A2149 -2.158 28.677 -0.685 1.00 27.99 O HETATM 1578 O HOH A2150 -5.492 28.818 4.276 1.00 34.44 O HETATM 1579 O HOH A2151 -0.812 33.121 4.909 1.00 52.73 O HETATM 1580 O HOH A2152 2.076 28.997 4.841 1.00 44.81 O HETATM 1581 O HOH A2153 2.851 34.011 9.632 1.00 27.30 O HETATM 1582 O HOH A2154 2.762 40.331 11.224 1.00 27.37 O HETATM 1583 O HOH A2155 5.418 41.142 17.156 1.00 36.09 O HETATM 1584 O HOH A2156 12.348 39.591 17.317 1.00 37.24 O HETATM 1585 O HOH A2157 13.129 45.226 14.382 1.00 46.39 O HETATM 1586 O HOH A2158 13.371 45.046 24.516 1.00 40.84 O HETATM 1587 O HOH A2159 22.369 34.568 -7.707 1.00 17.81 O HETATM 1588 O HOH A2160 16.673 29.546 -7.356 1.00 29.70 O CONECT 1425 1426 1427 1428 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1425 END