USER MOD reduce.3.24.130724 H: found=0, std=0, add=1679, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER CELL CYCLE 06-MAY-99 3FAP TITLE ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH TITLE 2 BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP COMPND MOL_ID: 1; COMPND 2 MOLECULE: FK506-BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FKBP12; COMPND 5 EC: 5.2.1.8; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: FKBP12-RAPAMYCIN ASSOCIATED PROTEIN; COMPND 9 CHAIN: B; COMPND 0 FRAGMENT: FRB; COMPND 1 SYNONYM: FRAP SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: HUMAN HIPPOCAMPAL CDNA LIBRARY SOURCE 8 (CLONTECH, SOURCE 6 PALO ALTO, CA); SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) (NOVAGEN); SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PGEX-3X; SOURCE 2 MOL_ID: 2; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606 KEYWDS FKBP12, FRAP, RAPAMYCIN, COMPLEX, GENE THERAPY, CELL CYCLE EXPDTA X-RAY DIFFRACTION AUTHOR J.LIANG,J.CLARDY REVDAT 3 24-FEB-09 3FAP 1 VERSN REVDAT 2 01-APR-03 3FAP 1 JRNL REVDAT 1 13-SEP-00 3FAP 0 JRNL AUTH J.LIANG,J.CHOI,J.CLARDY JRNL TITL REFINED STRUCTURE OF THE FKBP12-RAPAMYCIN-FRB JRNL TITL 2 TERNARY COMPLEX AT 2.2 A RESOLUTION. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 55 736 1999 JRNL REFN ISSN 0907-4449 JRNL PMID 10089303 JRNL DOI 10.1107/S0907444998014747 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.5 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 20084 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 SET) : 0.207 REMARK 3 FREE R VALUE : 0.273 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1980 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.85 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.97 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2969 REMARK 3 BIN R VALUE (WORKING SET) : 0.2610 REMARK 3 BIN FREE R VALUE : 0.3230 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 324 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1628 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 69 REMARK 3 SOLVENT ATOMS : 193 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 24.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 35.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 8.93000 REMARK 3 B22 (A**2) : -1.79000 REMARK 3 B33 (A**2) : -7.14000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM SIGMAA (A) : 0.18 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.19 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.032 REMARK 3 BOND ANGLES (DEGREES) : 4.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 3.38 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 5.410 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 6.380 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 7.160 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 9.870 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.38 REMARK 3 BSOL : 62.54 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : 1704.PAR REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : 1704.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3FAP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-MAY-99. REMARK 100 THE RCSB ID CODE IS RCSB001019. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : FEB-99 REMARK 200 TEMPERATURE (KELVIN) : 100.00 REMARK 200 PH : 8.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : CHESS REMARK 200 BEAMLINE : A1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91 REMARK 200 MONOCHROMATOR : MIRROR REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20139 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 5.100 REMARK 200 R MERGE (I) : 0.05300 REMARK 200 R SYM (I) : 4.70000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : 4.40 REMARK 200 R MERGE FOR SHELL (I) : 0.32500 REMARK 200 R SYM FOR SHELL (I) : 28.70000 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: 2FAP REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG8000, 10% MPD, 0.1 M TRIS- REMARK 280 HCL PH 8.5, PH 8.00 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.70000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 50.78000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.86000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 50.78000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.70000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 25.86000 REMARK 290 SMTRY3 4 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 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 SER A 39 C ARG A 40 N 0.218 REMARK 500 ARG A 42 NE ARG A 42 CZ 0.091 REMARK 500 GLY B 135 C GLY B 135 O -0.128 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER A 8 N - CA - CB ANGL. DEV. = 9.5 DEGREES REMARK 500 ASP A 11 CB - CG - OD2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 13 CD - NE - CZ ANGL. DEV. = 16.3 DEGREES REMARK 500 ARG A 13 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 13 NE - CZ - NH2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 40 NE - CZ - NH1 ANGL. DEV. = -5.2 DEGREES REMARK 500 ARG A 40 NE - CZ - NH2 ANGL. DEV. = 7.5 DEGREES REMARK 500 ASP A 41 CB - CG - OD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 ARG A 42 CD - NE - CZ ANGL. DEV. = -12.2 DEGREES REMARK 500 LEU A 50 CA - CB - CG ANGL. DEV. = 15.1 DEGREES REMARK 500 ARG A 57 NE - CZ - NH2 ANGL. DEV. = -5.9 DEGREES REMARK 500 GLU A 60 CG - CD - OE1 ANGL. DEV. = 16.2 DEGREES REMARK 500 GLU A 60 CG - CD - OE2 ANGL. DEV. = -17.0 DEGREES REMARK 500 ARG A 71 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 THR A 75 CA - CB - CG2 ANGL. DEV. = -8.9 DEGREES REMARK 500 HIS A 87 CB - CA - C ANGL. DEV. = 12.1 DEGREES REMARK 500 HIS A 87 CA - C - O ANGL. DEV. = 15.7 DEGREES REMARK 500 PRO A 88 O - C - N ANGL. DEV. = -10.5 DEGREES REMARK 500 ASP A 100 CB - CG - OD1 ANGL. DEV. = 8.9 DEGREES REMARK 500 ASP A 100 CB - CG - OD2 ANGL. DEV. = -8.6 DEGREES REMARK 500 VAL A 101 CA - CB - CG1 ANGL. DEV. = 9.2 DEGREES REMARK 500 VAL B 108 CA - CB - CG1 ANGL. DEV. = 12.0 DEGREES REMARK 500 TRP B 112 CE3 - CZ3 - CH2 ANGL. DEV. = -7.4 DEGREES REMARK 500 GLU B 114 OE1 - CD - OE2 ANGL. DEV. = 9.1 DEGREES REMARK 500 MET B 115 CA - CB - CG ANGL. DEV. = 13.0 DEGREES REMARK 500 GLU B 118 OE1 - CD - OE2 ANGL. DEV. = 9.9 DEGREES REMARK 500 GLU B 122 OE1 - CD - OE2 ANGL. DEV. = -9.2 DEGREES REMARK 500 ARG B 125 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 ARG B 131 NE - CZ - NH1 ANGL. DEV. = -3.9 DEGREES REMARK 500 GLU B 138 OE1 - CD - OE2 ANGL. DEV. = 9.5 DEGREES REMARK 500 MET B 146 CB - CA - C ANGL. DEV. = 13.2 DEGREES REMARK 500 MET B 146 N - CA - CB ANGL. DEV. = -12.1 DEGREES REMARK 500 ARG B 149 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES REMARK 500 ARG B 165 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 TRP B 173 CZ3 - CH2 - CZ2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP B 173 CH2 - CZ2 - CE2 ANGL. DEV. = -6.7 DEGREES REMARK 500 ARG B 175 CD - NE - CZ ANGL. DEV. = 25.0 DEGREES REMARK 500 VAL B 183 CG1 - CB - CG2 ANGL. DEV. = -12.1 DEGREES REMARK 500 ARG B 198 NE - CZ - NH1 ANGL. DEV. = 8.2 DEGREES REMARK 500 ARG B 198 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG B 199 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG B 199 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 13 -11.74 -148.24 REMARK 500 ALA A 81 -116.33 -119.90 REMARK 500 ILE A 90 -54.42 -135.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 PRO A 88 10.20 REMARK 500 THR B 187 11.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 237 DISTANCE = 5.39 ANGSTROMS REMARK 525 HOH B 293 DISTANCE = 5.67 ANGSTROMS REMARK 525 HOH A 339 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH A 341 DISTANCE = 5.80 ANGSTROMS REMARK 525 HOH A 381 DISTANCE = 5.30 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARD A 402 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2FAP RELATED DB: PDB REMARK 900 RELATED ID: 4FAP RELATED DB: PDB DBREF 3FAP A 1 107 UNP P62942 FKB1A_HUMAN 1 107 DBREF 3FAP B 108 201 UNP P42345 FRAP_HUMAN 2019 2112 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU SEQRES 1 B 94 VAL ALA ILE LEU TRP HIS GLU MET TRP HIS GLU GLY LEU SEQRES 2 B 94 GLU GLU ALA SER ARG LEU TYR PHE GLY GLU ARG ASN VAL SEQRES 3 B 94 LYS GLY MET PHE GLU VAL LEU GLU PRO LEU HIS ALA MET SEQRES 4 B 94 MET GLU ARG GLY PRO GLN THR LEU LYS GLU THR SER PHE SEQRES 5 B 94 ASN GLN ALA TYR GLY ARG ASP LEU MET GLU ALA GLN GLU SEQRES 6 B 94 TRP CYS ARG LYS TYR MET LYS SER GLY ASN VAL LYS ASP SEQRES 7 B 94 LEU THR GLN ALA TRP ASP LEU TYR TYR HIS VAL PHE ARG SEQRES 8 B 94 ARG ILE SER HET ARD A 402 69 HETNAM ARD C15-(R)-METHYLTHIENYL RAPAMYCIN HETSYN ARD RAPAMYCIN IMMUNOSUPPRESSANT DRUG FORMUL 3 ARD C55 H81 N O12 S FORMUL 4 HOH *193(H2 O) HELIX 1 1 ARG A 40 ASN A 43 5 4 HELIX 2 2 ILE A 56 GLN A 65 1 10 HELIX 3 3 PRO A 78 ALA A 81 5 4 HELIX 4 4 LEU B 111 GLY B 129 1 19 HELIX 5 5 ASN B 132 GLY B 150 1 19 HELIX 6 6 THR B 153 GLY B 181 1 29 HELIX 7 7 ASN B 182 SER B 201 1 20 SHEET 1 A 5 PHE A 46 MET A 49 0 SHEET 2 A 5 THR A 21 LEU A 30 -1 N VAL A 24 O PHE A 46 SHEET 3 A 5 LEU A 97 GLU A 107 -1 N GLU A 107 O THR A 21 SHEET 4 A 5 ARG A 71 ILE A 76 -1 N ILE A 76 O LEU A 97 SHEET 5 A 5 VAL A 2 SER A 8 -1 N SER A 8 O ARG A 71 SHEET 1 B 2 THR A 27 MET A 29 0 SHEET 2 B 2 LYS A 35 SER A 38 -1 N ASP A 37 O GLY A 28 SITE *** AC1 21 TYR A 26 PHE A 36 ASP A 37 ARG A 42 SITE *** AC1 21 PHE A 46 GLN A 53 GLU A 54 VAL A 55 SITE *** AC1 21 ILE A 56 TRP A 59 TYR A 82 HOH A 221 SITE *** AC1 21 HOH A 258 SER B 124 PHE B 128 GLY B 129 SITE *** AC1 21 THR B 187 ASP B 191 TYR B 194 PHE B 197 SITE *** AC1 21 HOH B 273 CRYST1 43.400 51.720 101.560 90.00 90.00 90.00 P 21 21 21 4 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 0.023041 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019335 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009846 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: B 117 HIS : no HD1:sc= -0.13 K(o=0.47,f=-0.53) USER MOD Set 1.2: B 201 SER OG : rot 75:sc= 0.602 USER MOD Set 2.1: B 184 LYS NZ :NH3+ 144:sc= -4.73! (180deg=-7.18!) USER MOD Set 2.2: B 187 THR OG1 : rot -14:sc= 0.32 USER MOD Set 3.1: B 147 MET CE :methyl -150:sc= -0.322 (180deg=-1.55!) USER MOD Set 3.2: B 160 ASN :FLIP amide:sc= 1.24 F(o=-0.91,f=0.92) USER MOD Set 4.1: B 144 HIS : no HE2:sc= 1.99 K(o=3.4,f=-11!) USER MOD Set 4.2: B 174 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: B 193 TYR OH : rot 9:sc= 1.37 USER MOD Set 5.1: A 87 HIS :FLIP no HD1:sc= -0.778 F(o=-2.8!,f=-1.5) USER MOD Set 5.2: B 127 TYR OH : rot 153:sc= -0.706 USER MOD Set 6.1: A 6 THR OG1 : rot 180:sc= 0.217 USER MOD Set 6.2: A 70 GLN : amide:sc= 1.88 K(o=2.1,f=-4.1!) USER MOD Set 7.1: A 27 THR OG1 : rot 93:sc= 1.44 USER MOD Set 7.2: A 38 SER OG : rot 101:sc= 0.231 USER MOD Set 8.1: A 25 HIS : no HD1:sc= 1.05 K(o=3.1,f=-5.6!) USER MOD Set 8.2: A 39 SER OG : rot 95:sc= 2.01 USER MOD Set 9.1: A 17 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.00329) USER MOD Set 9.2: A 20 GLN : amide:sc= -2.59! C(o=-2.6!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00373) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.711 F(o=-4.3!,f=-0.71) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 73:sc= 0.887 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -160:sc= -1.6 USER MOD Single : A 26 TYR OH : rot 142:sc= 1.83 USER MOD Single : A 29 MET CE :methyl 143:sc= 0 (180deg=-0.263) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 0.802 (180deg=0.603) USER MOD Single : A 43 ASN :FLIP amide:sc= 0.484 F(o=-0.84,f=0.48) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.000659) USER MOD Single : A 47 LYS NZ :NH3+ 130:sc= -0.0798 (180deg=-0.241) USER MOD Single : A 49 MET CE :methyl -157:sc= -0.526 (180deg=-1.87!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.888 X(o=-0.89,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0.611 K(o=0.61,f=-0.12) USER MOD Single : A 66 MET CE :methyl -130:sc=-0.00529 (180deg=-0.44) USER MOD Single : A 67 SER OG : rot 21:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : A 75 THR OG1 : rot 94:sc= 0.596 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0001 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 166:sc= 1.3 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ARD O10 : rot 178:sc= 0.499 USER MOD Single : A 402 ARD O13 : rot -90:sc= 2.34 USER MOD Single : A 402 ARD O6 : rot -33:sc= 0.893 USER MOD Single : B 113 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-3.2!) USER MOD Single : B 115 MET CE :methyl -147:sc= -1.94 (180deg=-3.97!) USER MOD Single : B 124 SER OG : rot -50:sc= 0.362 USER MOD Single : B 132 ASN : amide:sc= 0.136 K(o=0.14,f=-2.8!) USER MOD Single : B 134 LYS NZ :NH3+ -153:sc= 0.901 (180deg=-0.65!) USER MOD Single : B 136 MET CE :methyl -152:sc= -1.86 (180deg=-3.1!) USER MOD Single : B 146 MET CE :methyl -122:sc= -2.53! (180deg=-4.5!) USER MOD Single : B 152 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.057) USER MOD Single : B 153 THR OG1 : rot 180:sc= 0.328 USER MOD Single : B 155 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.1) USER MOD Single : B 157 THR OG1 : rot 76:sc= 0.509 USER MOD Single : B 158 SER OG : rot 180:sc= 0 USER MOD Single : B 161 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.1) USER MOD Single : B 163 TYR OH : rot 32:sc= 0.359 USER MOD Single : B 168 MET CE :methyl 178:sc= -1.58! (180deg=-1.63!) USER MOD Single : B 171 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : B 176 LYS NZ :NH3+ -115:sc= 0.148 (180deg=0) USER MOD Single : B 177 TYR OH : rot 180:sc= 0 USER MOD Single : B 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 180 SER OG : rot -153:sc= 1.46 USER MOD Single : B 182 ASN :FLIP amide:sc= -0.992 F(o=-4.7!,f=-0.99) USER MOD Single : B 188 GLN :FLIP amide:sc= 0.263 F(o=-1.8,f=0.26) USER MOD Single : B 194 TYR OH : rot -168:sc= 2.31 USER MOD Single : B 195 HIS :FLIP no HD1:sc= -0.972 F(o=-2.6!,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.939 26.111 49.747 1.00 65.11 N ATOM 2 CA GLY A 1 5.821 26.698 48.891 1.00 41.83 C ATOM 3 C GLY A 1 4.559 25.822 49.132 1.00 40.65 C ATOM 4 O GLY A 1 3.499 26.345 49.437 1.00 36.77 O ATOM 0 H1 GLY A 1 7.673 26.606 49.657 1.00 65.11 H new ATOM 0 H2 GLY A 1 6.688 26.106 50.601 1.00 65.11 H new ATOM 0 H3 GLY A 1 7.109 25.278 49.483 1.00 65.11 H new ATOM 0 HA2 GLY A 1 5.650 27.621 49.135 1.00 41.83 H new ATOM 0 HA3 GLY A 1 6.068 26.694 47.953 1.00 41.83 H new ATOM 5 N VAL A 2 4.736 24.528 48.944 1.00 32.82 N ATOM 6 CA VAL A 2 3.673 23.588 49.307 1.00 40.17 C ATOM 7 C VAL A 2 4.092 22.530 50.346 1.00 36.33 C ATOM 8 O VAL A 2 5.001 21.786 50.131 1.00 40.93 O ATOM 9 CB VAL A 2 3.078 22.913 48.056 1.00 37.82 C ATOM 10 CG1 VAL A 2 4.169 22.170 47.225 1.00 30.47 C ATOM 11 CG2 VAL A 2 1.946 21.977 48.389 1.00 26.27 C ATOM 0 H VAL A 2 5.446 24.171 48.615 1.00 32.82 H new ATOM 0 HA VAL A 2 2.991 24.127 49.737 1.00 40.17 H new ATOM 0 HB VAL A 2 2.715 23.630 47.513 1.00 37.82 H new ATOM 0 HG11 VAL A 2 3.760 21.758 46.448 1.00 30.47 H new ATOM 0 HG12 VAL A 2 4.844 22.804 46.937 1.00 30.47 H new ATOM 0 HG13 VAL A 2 4.583 21.485 47.773 1.00 30.47 H new ATOM 0 HG21 VAL A 2 1.605 21.578 47.573 1.00 26.27 H new ATOM 0 HG22 VAL A 2 2.267 21.279 48.981 1.00 26.27 H new ATOM 0 HG23 VAL A 2 1.236 22.471 48.828 1.00 26.27 H new ATOM 12 N GLN A 3 3.249 22.377 51.381 1.00 34.53 N ATOM 13 CA GLN A 3 3.477 21.336 52.394 1.00 35.92 C ATOM 14 C GLN A 3 2.500 20.191 52.043 1.00 35.39 C ATOM 15 O GLN A 3 1.360 20.593 51.794 1.00 31.46 O ATOM 16 CB GLN A 3 3.175 21.717 53.842 1.00 37.89 C ATOM 17 CG GLN A 3 3.738 23.131 54.135 1.00 51.24 C ATOM 18 CD GLN A 3 5.153 22.893 54.645 1.00 67.57 C ATOM 19 OE1 GLN A 3 5.890 22.024 53.948 1.00 73.83 O flip ATOM 20 NE2 GLN A 3 5.482 23.503 55.664 1.00 62.07 N flip ATOM 0 H GLN A 3 2.549 22.860 51.512 1.00 34.53 H new ATOM 0 HA GLN A 3 4.424 21.128 52.363 1.00 35.92 H new ATOM 0 HB2 GLN A 3 2.218 21.701 53.997 1.00 37.89 H new ATOM 0 HB3 GLN A 3 3.571 21.069 54.446 1.00 37.89 H new ATOM 0 HG2 GLN A 3 3.740 23.681 53.336 1.00 51.24 H new ATOM 0 HG3 GLN A 3 3.199 23.594 54.796 1.00 51.24 H new ATOM 0 HE21 GLN A 3 4.929 24.044 56.039 1.00 62.07 H new ATOM 0 HE22 GLN A 3 6.265 23.388 56.000 1.00 62.07 H new ATOM 21 N VAL A 4 3.008 18.974 51.974 1.00 27.10 N ATOM 22 CA VAL A 4 2.142 17.862 51.662 1.00 34.57 C ATOM 23 C VAL A 4 2.078 16.870 52.860 1.00 38.13 C ATOM 24 O VAL A 4 3.066 16.230 53.159 1.00 38.30 O ATOM 25 CB VAL A 4 2.617 17.075 50.419 1.00 35.99 C ATOM 26 CG1 VAL A 4 1.558 16.062 50.095 1.00 29.89 C ATOM 27 CG2 VAL A 4 2.870 18.124 49.297 1.00 28.92 C ATOM 0 H VAL A 4 3.835 18.775 52.102 1.00 27.10 H new ATOM 0 HA VAL A 4 1.268 18.241 51.479 1.00 34.57 H new ATOM 0 HB VAL A 4 3.442 16.582 50.548 1.00 35.99 H new ATOM 0 HG11 VAL A 4 1.827 15.550 49.316 1.00 29.89 H new ATOM 0 HG12 VAL A 4 1.440 15.464 50.850 1.00 29.89 H new ATOM 0 HG13 VAL A 4 0.721 16.516 49.909 1.00 29.89 H new ATOM 0 HG21 VAL A 4 3.171 17.672 48.493 1.00 28.92 H new ATOM 0 HG22 VAL A 4 2.047 18.602 49.109 1.00 28.92 H new ATOM 0 HG23 VAL A 4 3.549 18.752 49.588 1.00 28.92 H new ATOM 28 N GLU A 5 0.884 16.674 53.354 1.00 26.09 N ATOM 29 CA GLU A 5 0.677 15.719 54.448 1.00 29.32 C ATOM 30 C GLU A 5 -0.322 14.620 54.032 1.00 34.72 C ATOM 31 O GLU A 5 -1.468 14.812 53.573 1.00 29.41 O ATOM 32 CB GLU A 5 0.204 16.475 55.666 1.00 24.67 C ATOM 33 CG GLU A 5 1.142 17.538 56.234 1.00 35.58 C ATOM 34 CD GLU A 5 0.357 18.395 57.241 1.00 45.26 C ATOM 35 OE1 GLU A 5 0.169 17.915 58.336 1.00 38.12 O ATOM 36 OE2 GLU A 5 -0.105 19.537 56.996 1.00 46.23 O ATOM 0 H GLU A 5 0.173 17.074 53.083 1.00 26.09 H new ATOM 0 HA GLU A 5 1.511 15.272 54.660 1.00 29.32 H new ATOM 0 HB2 GLU A 5 -0.638 16.903 55.446 1.00 24.67 H new ATOM 0 HB3 GLU A 5 0.020 15.831 56.367 1.00 24.67 H new ATOM 0 HG2 GLU A 5 1.902 17.120 56.668 1.00 35.58 H new ATOM 0 HG3 GLU A 5 1.493 18.093 55.521 1.00 35.58 H new ATOM 37 N THR A 6 0.075 13.376 54.203 1.00 27.47 N ATOM 38 CA THR A 6 -0.774 12.247 53.746 1.00 23.77 C ATOM 39 C THR A 6 -1.941 12.033 54.646 1.00 35.51 C ATOM 40 O THR A 6 -1.671 12.021 55.870 1.00 29.58 O ATOM 41 CB THR A 6 0.141 10.991 53.740 1.00 27.71 C ATOM 42 OG1 THR A 6 1.041 11.211 52.639 1.00 28.52 O ATOM 43 CG2 THR A 6 -0.707 9.723 53.537 1.00 35.47 C ATOM 0 H THR A 6 0.817 13.147 54.573 1.00 27.47 H new ATOM 0 HA THR A 6 -1.139 12.432 52.867 1.00 23.77 H new ATOM 0 HB THR A 6 0.621 10.863 54.573 1.00 27.71 H new ATOM 0 HG1 THR A 6 1.572 10.563 52.577 1.00 28.52 H new ATOM 0 HG21 THR A 6 -0.129 8.944 53.534 1.00 35.47 H new ATOM 0 HG22 THR A 6 -1.351 9.645 54.258 1.00 35.47 H new ATOM 0 HG23 THR A 6 -1.176 9.780 52.690 1.00 35.47 H new ATOM 44 N ILE A 7 -3.160 11.843 54.143 1.00 24.91 N ATOM 45 CA ILE A 7 -4.388 11.538 54.794 1.00 31.04 C ATOM 46 C ILE A 7 -4.618 10.038 54.668 1.00 36.15 C ATOM 47 O ILE A 7 -4.989 9.386 55.648 1.00 41.33 O ATOM 48 CB ILE A 7 -5.605 12.276 54.196 1.00 34.31 C ATOM 49 CG1 ILE A 7 -5.421 13.773 54.598 1.00 31.77 C ATOM 50 CG2 ILE A 7 -7.011 11.864 54.589 1.00 35.40 C ATOM 51 CD1 ILE A 7 -6.469 14.714 53.744 1.00 28.33 C ATOM 0 H ILE A 7 -3.281 11.903 53.294 1.00 24.91 H new ATOM 0 HA ILE A 7 -4.312 11.829 55.716 1.00 31.04 H new ATOM 0 HB ILE A 7 -5.583 12.057 53.251 1.00 34.31 H new ATOM 0 HG12 ILE A 7 -5.577 13.882 55.549 1.00 31.77 H new ATOM 0 HG13 ILE A 7 -4.508 14.053 54.426 1.00 31.77 H new ATOM 0 HG21 ILE A 7 -7.654 12.425 54.127 1.00 35.40 H new ATOM 0 HG22 ILE A 7 -7.157 10.937 54.345 1.00 35.40 H new ATOM 0 HG23 ILE A 7 -7.123 11.967 55.547 1.00 35.40 H new ATOM 0 HD11 ILE A 7 -6.351 15.643 53.998 1.00 28.33 H new ATOM 0 HD12 ILE A 7 -6.295 14.614 52.795 1.00 28.33 H new ATOM 0 HD13 ILE A 7 -7.380 14.441 53.936 1.00 28.33 H new ATOM 52 N SER A 8 -4.438 9.406 53.507 1.00 27.04 N ATOM 53 CA SER A 8 -4.607 8.032 53.176 1.00 32.67 C ATOM 54 C SER A 8 -3.541 7.613 52.209 1.00 34.84 C ATOM 55 O SER A 8 -3.303 8.306 51.101 1.00 30.48 O ATOM 56 CB SER A 8 -5.943 7.537 52.632 1.00 41.22 C ATOM 57 OG SER A 8 -7.117 8.206 52.947 1.00 53.85 O ATOM 0 H SER A 8 -4.180 9.850 52.817 1.00 27.04 H new ATOM 0 HA SER A 8 -4.554 7.620 54.053 1.00 32.67 H new ATOM 0 HB2 SER A 8 -5.872 7.522 51.665 1.00 41.22 H new ATOM 0 HB3 SER A 8 -6.049 6.618 52.923 1.00 41.22 H new ATOM 0 HG SER A 8 -7.766 7.822 52.578 1.00 53.85 H new ATOM 58 N PRO A 9 -2.796 6.563 52.442 1.00 31.26 N ATOM 59 CA PRO A 9 -1.586 6.257 51.716 1.00 25.57 C ATOM 60 C PRO A 9 -1.949 5.897 50.237 1.00 25.86 C ATOM 61 O PRO A 9 -2.941 5.138 50.112 1.00 29.24 O ATOM 62 CB PRO A 9 -0.942 5.006 52.318 1.00 31.11 C ATOM 63 CG PRO A 9 -1.645 4.843 53.621 1.00 31.66 C ATOM 64 CD PRO A 9 -2.785 5.815 53.734 1.00 34.85 C ATOM 0 HA PRO A 9 -0.992 7.022 51.761 1.00 25.57 H new ATOM 0 HB2 PRO A 9 -1.065 4.232 51.747 1.00 31.11 H new ATOM 0 HB3 PRO A 9 0.014 5.120 52.440 1.00 31.11 H new ATOM 0 HG2 PRO A 9 -1.978 3.936 53.703 1.00 31.66 H new ATOM 0 HG3 PRO A 9 -1.021 4.983 54.350 1.00 31.66 H new ATOM 0 HD2 PRO A 9 -3.626 5.353 53.878 1.00 34.85 H new ATOM 0 HD3 PRO A 9 -2.659 6.416 54.485 1.00 34.85 H new ATOM 65 N GLY A 10 -1.104 6.173 49.310 1.00 26.61 N ATOM 66 CA GLY A 10 -1.247 5.576 47.955 1.00 28.28 C ATOM 67 C GLY A 10 -0.262 4.422 47.850 1.00 40.56 C ATOM 68 O GLY A 10 0.459 4.097 48.828 1.00 39.04 O ATOM 0 H GLY A 10 -0.429 6.698 49.406 1.00 26.61 H new ATOM 0 HA2 GLY A 10 -2.154 5.262 47.816 1.00 28.28 H new ATOM 0 HA3 GLY A 10 -1.068 6.239 47.270 1.00 28.28 H new ATOM 69 N ASP A 11 -0.255 3.777 46.691 1.00 39.86 N ATOM 70 CA ASP A 11 0.707 2.691 46.460 1.00 44.11 C ATOM 71 C ASP A 11 2.154 3.037 46.718 1.00 37.53 C ATOM 72 O ASP A 11 2.949 2.103 46.893 1.00 48.83 O ATOM 73 CB ASP A 11 0.502 2.066 45.088 1.00 37.00 C ATOM 74 CG ASP A 11 0.935 2.681 43.798 1.00 42.06 C ATOM 75 OD1 ASP A 11 1.534 3.745 43.871 1.00 37.55 O ATOM 76 OD2 ASP A 11 0.804 2.186 42.643 1.00 37.33 O ATOM 0 H ASP A 11 -0.784 3.943 46.034 1.00 39.86 H new ATOM 0 HA ASP A 11 0.507 2.029 47.141 1.00 44.11 H new ATOM 0 HB2 ASP A 11 0.927 1.195 45.125 1.00 37.00 H new ATOM 0 HB3 ASP A 11 -0.452 1.913 45.004 1.00 37.00 H new ATOM 77 N GLY A 12 2.699 4.211 46.599 1.00 31.83 N ATOM 78 CA GLY A 12 4.106 4.501 46.889 1.00 43.11 C ATOM 79 C GLY A 12 4.967 4.261 45.648 1.00 49.75 C ATOM 80 O GLY A 12 6.170 4.568 45.640 1.00 42.85 O ATOM 0 H GLY A 12 2.258 4.902 46.338 1.00 31.83 H new ATOM 0 HA2 GLY A 12 4.199 5.421 47.181 1.00 43.11 H new ATOM 0 HA3 GLY A 12 4.415 3.940 47.617 1.00 43.11 H new ATOM 81 N ARG A 13 4.367 3.903 44.516 1.00 41.91 N ATOM 82 CA ARG A 13 5.126 3.620 43.303 1.00 55.95 C ATOM 83 C ARG A 13 4.457 3.945 41.958 1.00 41.61 C ATOM 84 O ARG A 13 5.242 4.126 41.017 1.00 36.33 O ATOM 85 CB ARG A 13 5.541 2.151 43.351 1.00 66.07 C ATOM 86 CG ARG A 13 4.972 1.252 42.274 1.00 74.59 C ATOM 87 CD ARG A 13 5.594 -0.130 42.564 1.00 86.16 C ATOM 88 NE ARG A 13 4.727 -0.825 43.458 1.00 92.35 N ATOM 89 CZ ARG A 13 3.792 -0.581 44.331 1.00 95.59 C ATOM 90 NH1 ARG A 13 3.413 0.649 44.698 1.00103.88 N ATOM 91 NH2 ARG A 13 3.281 -1.684 44.908 1.00 79.56 N ATOM 0 H ARG A 13 3.516 3.818 44.430 1.00 41.91 H new ATOM 0 HA ARG A 13 5.878 4.232 43.316 1.00 55.95 H new ATOM 0 HB2 ARG A 13 6.509 2.107 43.303 1.00 66.07 H new ATOM 0 HB3 ARG A 13 5.284 1.791 44.214 1.00 66.07 H new ATOM 0 HG2 ARG A 13 4.003 1.220 42.315 1.00 74.59 H new ATOM 0 HG3 ARG A 13 5.208 1.568 41.388 1.00 74.59 H new ATOM 0 HD2 ARG A 13 5.705 -0.631 41.741 1.00 86.16 H new ATOM 0 HD3 ARG A 13 6.476 -0.030 42.956 1.00 86.16 H new ATOM 0 HE ARG A 13 4.865 -1.672 43.403 1.00 92.35 H new ATOM 0 HH11 ARG A 13 3.794 1.338 44.351 1.00103.88 H new ATOM 0 HH12 ARG A 13 2.788 0.751 45.280 1.00103.88 H new ATOM 0 HH21 ARG A 13 3.577 -2.461 44.688 1.00 79.56 H new ATOM 0 HH22 ARG A 13 2.658 -1.612 45.497 1.00 79.56 H new ATOM 92 N THR A 14 3.148 4.241 41.927 1.00 39.01 N ATOM 93 CA THR A 14 2.636 4.819 40.639 1.00 38.81 C ATOM 94 C THR A 14 2.451 6.331 40.696 1.00 32.88 C ATOM 95 O THR A 14 1.464 6.846 41.178 1.00 30.91 O ATOM 96 CB THR A 14 1.315 4.118 40.334 1.00 45.47 C ATOM 97 OG1 THR A 14 1.480 2.662 40.504 1.00 39.21 O ATOM 98 CG2 THR A 14 0.960 4.477 38.856 1.00 44.92 C ATOM 0 H THR A 14 2.579 4.134 42.563 1.00 39.01 H new ATOM 0 HA THR A 14 3.288 4.670 39.937 1.00 38.81 H new ATOM 0 HB THR A 14 0.605 4.400 40.932 1.00 45.47 H new ATOM 0 HG1 THR A 14 1.527 2.479 41.322 1.00 39.21 H new ATOM 0 HG21 THR A 14 0.123 4.053 38.612 1.00 44.92 H new ATOM 0 HG22 THR A 14 0.872 5.439 38.769 1.00 44.92 H new ATOM 0 HG23 THR A 14 1.665 4.163 38.268 1.00 44.92 H new ATOM 99 N PHE A 15 3.447 7.096 40.165 1.00 30.37 N ATOM 100 CA PHE A 15 3.346 8.567 40.237 1.00 33.45 C ATOM 101 C PHE A 15 2.982 9.129 38.858 1.00 41.43 C ATOM 102 O PHE A 15 3.326 8.515 37.846 1.00 40.30 O ATOM 103 CB PHE A 15 4.675 9.210 40.665 1.00 36.42 C ATOM 104 CG PHE A 15 5.084 8.666 42.025 1.00 37.26 C ATOM 105 CD1 PHE A 15 5.797 7.466 42.142 1.00 44.23 C ATOM 106 CD2 PHE A 15 4.750 9.416 43.159 1.00 31.21 C ATOM 107 CE1 PHE A 15 6.163 6.985 43.409 1.00 42.13 C ATOM 108 CE2 PHE A 15 5.074 8.943 44.412 1.00 40.31 C ATOM 109 CZ PHE A 15 5.768 7.751 44.506 1.00 45.12 C ATOM 0 H PHE A 15 4.153 6.792 39.779 1.00 30.37 H new ATOM 0 HA PHE A 15 2.664 8.775 40.894 1.00 33.45 H new ATOM 0 HB2 PHE A 15 5.364 9.020 40.009 1.00 36.42 H new ATOM 0 HB3 PHE A 15 4.581 10.175 40.706 1.00 36.42 H new ATOM 0 HD1 PHE A 15 6.028 6.987 41.379 1.00 44.23 H new ATOM 0 HD2 PHE A 15 4.311 10.231 43.067 1.00 31.21 H new ATOM 0 HE1 PHE A 15 6.644 6.196 43.512 1.00 42.13 H new ATOM 0 HE2 PHE A 15 4.832 9.414 45.176 1.00 40.31 H new ATOM 0 HZ PHE A 15 5.985 7.440 45.355 1.00 45.12 H new ATOM 110 N PRO A 16 2.400 10.310 38.813 1.00 37.29 N ATOM 111 CA PRO A 16 2.072 10.897 37.498 1.00 34.23 C ATOM 112 C PRO A 16 3.267 11.014 36.550 1.00 43.76 C ATOM 113 O PRO A 16 4.275 11.531 37.023 1.00 36.22 O ATOM 114 CB PRO A 16 1.636 12.354 37.922 1.00 26.70 C ATOM 115 CG PRO A 16 1.055 12.136 39.319 1.00 31.05 C ATOM 116 CD PRO A 16 2.129 11.261 39.943 1.00 30.33 C ATOM 0 HA PRO A 16 1.423 10.360 37.017 1.00 34.23 H new ATOM 0 HB2 PRO A 16 2.389 12.966 37.936 1.00 26.70 H new ATOM 0 HB3 PRO A 16 0.979 12.726 37.312 1.00 26.70 H new ATOM 0 HG2 PRO A 16 0.934 12.969 39.801 1.00 31.05 H new ATOM 0 HG3 PRO A 16 0.191 11.695 39.293 1.00 31.05 H new ATOM 0 HD2 PRO A 16 2.917 11.768 40.195 1.00 30.33 H new ATOM 0 HD3 PRO A 16 1.817 10.806 40.741 1.00 30.33 H new ATOM 117 N LYS A 17 3.186 10.687 35.248 1.00 41.81 N ATOM 118 CA LYS A 17 4.251 10.674 34.291 1.00 60.77 C ATOM 119 C LYS A 17 3.952 11.652 33.135 1.00 63.71 C ATOM 120 O LYS A 17 2.777 11.994 32.865 1.00 46.39 O ATOM 121 CB LYS A 17 4.394 9.292 33.680 1.00 70.07 C ATOM 122 CG LYS A 17 5.104 8.158 34.354 1.00 78.80 C ATOM 123 CD LYS A 17 4.311 7.500 35.454 1.00 77.34 C ATOM 124 CE LYS A 17 4.159 6.017 35.272 1.00 79.19 C ATOM 125 NZ LYS A 17 3.150 5.846 34.171 1.00 83.61 N ATOM 0 H LYS A 17 2.438 10.452 34.895 1.00 41.81 H new ATOM 0 HA LYS A 17 5.062 10.932 34.756 1.00 60.77 H new ATOM 0 HB2 LYS A 17 3.494 8.980 33.497 1.00 70.07 H new ATOM 0 HB3 LYS A 17 4.831 9.416 32.823 1.00 70.07 H new ATOM 0 HG2 LYS A 17 5.331 7.490 33.688 1.00 78.80 H new ATOM 0 HG3 LYS A 17 5.939 8.486 34.723 1.00 78.80 H new ATOM 0 HD2 LYS A 17 4.745 7.672 36.304 1.00 77.34 H new ATOM 0 HD3 LYS A 17 3.431 7.906 35.497 1.00 77.34 H new ATOM 0 HE2 LYS A 17 5.005 5.606 35.036 1.00 79.19 H new ATOM 0 HE3 LYS A 17 3.857 5.594 36.091 1.00 79.19 H new ATOM 0 HZ1 LYS A 17 2.522 5.272 34.431 1.00 83.61 H new ATOM 0 HZ2 LYS A 17 2.775 6.632 33.987 1.00 83.61 H new ATOM 0 HZ3 LYS A 17 3.555 5.533 33.443 1.00 83.61 H new ATOM 126 N ARG A 18 4.985 12.114 32.423 1.00 58.97 N ATOM 127 CA ARG A 18 4.743 13.291 31.553 1.00 65.64 C ATOM 128 C ARG A 18 3.737 12.973 30.437 1.00 53.50 C ATOM 129 O ARG A 18 3.608 11.902 29.845 1.00 46.78 O ATOM 130 CB ARG A 18 6.013 13.934 31.035 1.00 75.70 C ATOM 131 CG ARG A 18 6.674 14.927 31.973 1.00 83.68 C ATOM 132 CD ARG A 18 5.779 16.105 32.351 1.00 96.74 C ATOM 133 NE ARG A 18 6.427 16.887 33.400 1.00103.75 N ATOM 134 CZ ARG A 18 7.211 17.948 33.303 1.00111.16 C ATOM 135 NH1 ARG A 18 7.477 18.475 32.107 1.00115.56 N ATOM 136 NH2 ARG A 18 7.721 18.515 34.397 1.00113.99 N ATOM 0 H ARG A 18 5.783 11.793 32.420 1.00 58.97 H new ATOM 0 HA ARG A 18 4.337 13.966 32.118 1.00 65.64 H new ATOM 0 HB2 ARG A 18 6.651 13.233 30.830 1.00 75.70 H new ATOM 0 HB3 ARG A 18 5.811 14.386 30.201 1.00 75.70 H new ATOM 0 HG2 ARG A 18 6.945 14.465 32.782 1.00 83.68 H new ATOM 0 HG3 ARG A 18 7.481 15.266 31.556 1.00 83.68 H new ATOM 0 HD2 ARG A 18 5.614 16.661 31.574 1.00 96.74 H new ATOM 0 HD3 ARG A 18 4.917 15.784 32.658 1.00 96.74 H new ATOM 0 HE ARG A 18 6.276 16.617 34.202 1.00103.75 H new ATOM 0 HH11 ARG A 18 7.139 18.125 31.398 1.00115.56 H new ATOM 0 HH12 ARG A 18 7.987 19.165 32.045 1.00115.56 H new ATOM 0 HH21 ARG A 18 7.541 18.191 35.173 1.00113.99 H new ATOM 0 HH22 ARG A 18 8.230 19.205 34.326 1.00113.99 H new ATOM 137 N GLY A 19 2.773 13.909 30.389 1.00 63.01 N ATOM 138 CA GLY A 19 1.607 13.792 29.573 1.00 51.12 C ATOM 139 C GLY A 19 0.507 12.833 30.017 1.00 56.76 C ATOM 140 O GLY A 19 -0.312 12.404 29.208 1.00 43.14 O ATOM 0 H GLY A 19 2.801 14.636 30.848 1.00 63.01 H new ATOM 0 HA2 GLY A 19 1.214 14.675 29.490 1.00 51.12 H new ATOM 0 HA3 GLY A 19 1.893 13.524 28.686 1.00 51.12 H new ATOM 141 N GLN A 20 0.476 12.501 31.311 1.00 48.06 N ATOM 142 CA GLN A 20 -0.652 11.700 31.786 1.00 48.05 C ATOM 143 C GLN A 20 -1.701 12.760 32.211 1.00 36.43 C ATOM 144 O GLN A 20 -1.317 13.869 32.419 1.00 34.87 O ATOM 145 CB GLN A 20 -0.357 10.732 32.914 1.00 46.91 C ATOM 146 CG GLN A 20 0.624 9.643 32.474 1.00 48.02 C ATOM 147 CD GLN A 20 0.869 8.654 33.599 1.00 49.76 C ATOM 148 OE1 GLN A 20 1.538 9.037 34.583 1.00 37.50 O ATOM 149 NE2 GLN A 20 0.289 7.467 33.430 1.00 50.66 N ATOM 0 H GLN A 20 1.064 12.716 31.901 1.00 48.06 H new ATOM 0 HA GLN A 20 -0.945 11.100 31.083 1.00 48.05 H new ATOM 0 HB2 GLN A 20 0.012 11.216 33.669 1.00 46.91 H new ATOM 0 HB3 GLN A 20 -1.183 10.323 33.215 1.00 46.91 H new ATOM 0 HG2 GLN A 20 0.271 9.178 31.699 1.00 48.02 H new ATOM 0 HG3 GLN A 20 1.463 10.047 32.204 1.00 48.02 H new ATOM 0 HE21 GLN A 20 -0.152 7.303 32.710 1.00 50.66 H new ATOM 0 HE22 GLN A 20 0.356 6.865 34.041 1.00 50.66 H new ATOM 150 N THR A 21 -2.931 12.300 32.233 1.00 36.62 N ATOM 151 CA THR A 21 -3.975 13.099 32.894 1.00 39.65 C ATOM 152 C THR A 21 -4.165 12.555 34.321 1.00 36.37 C ATOM 153 O THR A 21 -4.332 11.366 34.591 1.00 32.55 O ATOM 154 CB THR A 21 -5.263 12.915 32.059 1.00 45.51 C ATOM 155 OG1 THR A 21 -4.949 13.535 30.779 1.00 36.30 O ATOM 156 CG2 THR A 21 -6.526 13.386 32.811 1.00 33.56 C ATOM 0 H THR A 21 -3.191 11.556 31.889 1.00 36.62 H new ATOM 0 HA THR A 21 -3.746 14.040 32.952 1.00 39.65 H new ATOM 0 HB THR A 21 -5.513 11.992 31.898 1.00 45.51 H new ATOM 0 HG1 THR A 21 -5.611 13.471 30.266 1.00 36.30 H new ATOM 0 HG21 THR A 21 -7.306 13.252 32.250 1.00 33.56 H new ATOM 0 HG22 THR A 21 -6.625 12.875 33.629 1.00 33.56 H new ATOM 0 HG23 THR A 21 -6.442 14.328 33.027 1.00 33.56 H new ATOM 157 N CYS A 22 -4.185 13.505 35.287 1.00 28.17 N ATOM 158 CA CYS A 22 -4.529 13.114 36.635 1.00 25.55 C ATOM 159 C CYS A 22 -6.048 13.263 36.810 1.00 28.66 C ATOM 160 O CYS A 22 -6.627 14.272 36.426 1.00 26.11 O ATOM 161 CB CYS A 22 -3.809 14.125 37.643 1.00 22.70 C ATOM 162 SG CYS A 22 -2.027 13.888 37.658 1.00 25.41 S ATOM 0 H CYS A 22 -4.008 14.339 35.172 1.00 28.17 H new ATOM 0 HA CYS A 22 -4.254 12.200 36.807 1.00 25.55 H new ATOM 0 HB2 CYS A 22 -4.013 15.038 37.387 1.00 22.70 H new ATOM 0 HB3 CYS A 22 -4.161 13.996 38.538 1.00 22.70 H new ATOM 0 HG CYS A 22 -1.569 14.357 38.663 1.00 25.41 H new ATOM 163 N VAL A 23 -6.694 12.284 37.452 1.00 23.61 N ATOM 164 CA VAL A 23 -8.080 12.283 37.770 1.00 22.44 C ATOM 165 C VAL A 23 -8.164 12.324 39.340 1.00 22.29 C ATOM 166 O VAL A 23 -7.635 11.405 39.980 1.00 23.87 O ATOM 167 CB VAL A 23 -8.883 11.041 37.332 1.00 23.89 C ATOM 168 CG1 VAL A 23 -10.386 11.254 37.544 1.00 22.80 C ATOM 169 CG2 VAL A 23 -8.552 10.708 35.842 1.00 23.44 C ATOM 0 H VAL A 23 -6.293 11.572 37.719 1.00 23.61 H new ATOM 0 HA VAL A 23 -8.467 13.035 37.296 1.00 22.44 H new ATOM 0 HB VAL A 23 -8.626 10.284 37.882 1.00 23.89 H new ATOM 0 HG11 VAL A 23 -10.868 10.461 37.262 1.00 22.80 H new ATOM 0 HG12 VAL A 23 -10.560 11.421 38.484 1.00 22.80 H new ATOM 0 HG13 VAL A 23 -10.682 12.015 37.021 1.00 22.80 H new ATOM 0 HG21 VAL A 23 -9.056 9.927 35.565 1.00 23.44 H new ATOM 0 HG22 VAL A 23 -8.791 11.462 35.281 1.00 23.44 H new ATOM 0 HG23 VAL A 23 -7.603 10.528 35.754 1.00 23.44 H new ATOM 170 N VAL A 24 -8.674 13.461 39.826 1.00 24.77 N ATOM 171 CA VAL A 24 -8.649 13.602 41.317 1.00 20.62 C ATOM 172 C VAL A 24 -10.018 14.018 41.742 1.00 20.97 C ATOM 173 O VAL A 24 -10.927 14.473 41.049 1.00 21.60 O ATOM 174 CB VAL A 24 -7.644 14.709 41.736 1.00 19.77 C ATOM 175 CG1 VAL A 24 -6.242 14.499 41.104 1.00 18.88 C ATOM 176 CG2 VAL A 24 -8.093 16.121 41.323 1.00 18.99 C ATOM 0 H VAL A 24 -9.011 14.111 39.375 1.00 24.77 H new ATOM 0 HA VAL A 24 -8.382 12.765 41.728 1.00 20.62 H new ATOM 0 HB VAL A 24 -7.607 14.638 42.703 1.00 19.77 H new ATOM 0 HG11 VAL A 24 -5.648 15.210 41.391 1.00 18.88 H new ATOM 0 HG12 VAL A 24 -5.883 13.644 41.389 1.00 18.88 H new ATOM 0 HG13 VAL A 24 -6.318 14.512 40.137 1.00 18.88 H new ATOM 0 HG21 VAL A 24 -7.430 16.768 41.609 1.00 18.99 H new ATOM 0 HG22 VAL A 24 -8.188 16.161 40.359 1.00 18.99 H new ATOM 0 HG23 VAL A 24 -8.945 16.325 41.740 1.00 18.99 H new ATOM 177 N HIS A 25 -10.152 13.862 43.153 1.00 20.46 N ATOM 178 CA HIS A 25 -11.258 14.579 43.774 1.00 22.96 C ATOM 179 C HIS A 25 -10.615 15.580 44.756 1.00 25.71 C ATOM 180 O HIS A 25 -9.591 15.226 45.410 1.00 20.72 O ATOM 181 CB HIS A 25 -12.210 13.598 44.593 1.00 23.49 C ATOM 182 CG HIS A 25 -13.513 13.404 43.863 1.00 25.71 C ATOM 183 ND1 HIS A 25 -14.318 14.410 43.237 1.00 24.45 N ATOM 184 CD2 HIS A 25 -14.214 12.243 43.730 1.00 34.10 C ATOM 185 CE1 HIS A 25 -15.415 13.774 42.815 1.00 32.47 C ATOM 186 NE2 HIS A 25 -15.388 12.447 43.126 1.00 33.01 N ATOM 0 H HIS A 25 -9.651 13.392 43.670 1.00 20.46 H new ATOM 0 HA HIS A 25 -11.801 15.009 43.095 1.00 22.96 H new ATOM 0 HB2 HIS A 25 -11.772 12.742 44.718 1.00 23.49 H new ATOM 0 HB3 HIS A 25 -12.378 13.963 45.476 1.00 23.49 H new ATOM 0 HD2 HIS A 25 -13.913 11.413 44.023 1.00 34.10 H new ATOM 0 HE1 HIS A 25 -16.114 14.188 42.363 1.00 32.47 H new ATOM 0 HE2 HIS A 25 -15.999 11.863 42.967 1.00 33.01 H new ATOM 187 N TYR A 26 -11.192 16.740 44.828 1.00 19.85 N ATOM 188 CA TYR A 26 -10.583 17.684 45.821 1.00 17.66 C ATOM 189 C TYR A 26 -11.691 18.552 46.447 1.00 18.50 C ATOM 190 O TYR A 26 -12.782 18.723 45.998 1.00 21.60 O ATOM 191 CB TYR A 26 -9.620 18.732 45.146 1.00 18.78 C ATOM 192 CG TYR A 26 -10.290 19.724 44.218 1.00 21.78 C ATOM 193 CD1 TYR A 26 -10.550 19.358 42.834 1.00 24.34 C ATOM 194 CD2 TYR A 26 -10.741 20.960 44.613 1.00 21.35 C ATOM 195 CE1 TYR A 26 -11.157 20.266 41.962 1.00 18.79 C ATOM 196 CE2 TYR A 26 -11.370 21.831 43.755 1.00 20.82 C ATOM 197 CZ TYR A 26 -11.540 21.484 42.402 1.00 26.06 C ATOM 198 OH TYR A 26 -12.222 22.435 41.650 1.00 20.28 O ATOM 0 H TYR A 26 -11.870 17.017 44.377 1.00 19.85 H new ATOM 0 HA TYR A 26 -10.106 17.128 46.456 1.00 17.66 H new ATOM 0 HB2 TYR A 26 -9.161 19.224 45.845 1.00 18.78 H new ATOM 0 HB3 TYR A 26 -8.942 18.251 44.646 1.00 18.78 H new ATOM 0 HD1 TYR A 26 -10.310 18.513 42.527 1.00 24.34 H new ATOM 0 HD2 TYR A 26 -10.616 21.218 45.498 1.00 21.35 H new ATOM 0 HE1 TYR A 26 -11.298 20.030 41.074 1.00 18.79 H new ATOM 0 HE2 TYR A 26 -11.683 22.649 44.069 1.00 20.82 H new ATOM 0 HH TYR A 26 -12.783 22.827 42.137 1.00 20.28 H new ATOM 199 N THR A 27 -11.218 19.146 47.546 1.00 21.51 N ATOM 200 CA THR A 27 -12.003 20.108 48.316 1.00 20.06 C ATOM 201 C THR A 27 -10.998 21.244 48.648 1.00 20.61 C ATOM 202 O THR A 27 -9.952 20.903 49.097 1.00 20.56 O ATOM 203 CB THR A 27 -12.510 19.628 49.631 1.00 26.21 C ATOM 204 OG1 THR A 27 -13.544 18.634 49.354 1.00 22.86 O ATOM 205 CG2 THR A 27 -13.199 20.809 50.336 1.00 29.37 C ATOM 0 H THR A 27 -10.432 19.001 47.864 1.00 21.51 H new ATOM 0 HA THR A 27 -12.784 20.339 47.789 1.00 20.06 H new ATOM 0 HB THR A 27 -11.791 19.267 50.173 1.00 26.21 H new ATOM 0 HG1 THR A 27 -13.201 17.867 49.348 1.00 22.86 H new ATOM 0 HG21 THR A 27 -13.538 20.519 51.197 1.00 29.37 H new ATOM 0 HG22 THR A 27 -12.559 21.526 50.466 1.00 29.37 H new ATOM 0 HG23 THR A 27 -13.935 21.127 49.790 1.00 29.37 H new ATOM 206 N GLY A 28 -11.305 22.438 48.300 1.00 22.76 N ATOM 207 CA GLY A 28 -10.430 23.598 48.513 1.00 20.59 C ATOM 208 C GLY A 28 -11.090 24.467 49.543 1.00 23.12 C ATOM 209 O GLY A 28 -12.260 24.871 49.589 1.00 23.69 O ATOM 0 H GLY A 28 -12.049 22.636 47.917 1.00 22.76 H new ATOM 0 HA2 GLY A 28 -9.553 23.315 48.815 1.00 20.59 H new ATOM 0 HA3 GLY A 28 -10.301 24.086 47.685 1.00 20.59 H new ATOM 210 N MET A 29 -10.252 24.863 50.528 1.00 24.01 N ATOM 211 CA MET A 29 -10.601 25.645 51.626 1.00 20.55 C ATOM 212 C MET A 29 -9.620 26.805 51.927 1.00 19.56 C ATOM 213 O MET A 29 -8.430 26.621 51.764 1.00 25.24 O ATOM 214 CB MET A 29 -10.519 24.762 53.024 1.00 28.87 C ATOM 215 CG MET A 29 -11.595 23.714 53.023 1.00 43.10 C ATOM 216 SD MET A 29 -11.331 22.207 53.915 1.00 32.47 S ATOM 217 CE MET A 29 -10.183 21.451 52.549 1.00 43.73 C ATOM 0 H MET A 29 -9.420 24.644 50.531 1.00 24.01 H new ATOM 0 HA MET A 29 -11.483 25.972 51.390 1.00 20.55 H new ATOM 0 HB2 MET A 29 -9.647 24.343 53.102 1.00 28.87 H new ATOM 0 HB3 MET A 29 -10.624 25.345 53.792 1.00 28.87 H new ATOM 0 HG2 MET A 29 -12.402 24.123 53.373 1.00 43.10 H new ATOM 0 HG3 MET A 29 -11.774 23.479 52.099 1.00 43.10 H new ATOM 0 HE1 MET A 29 -9.471 20.943 52.969 1.00 43.73 H new ATOM 0 HE2 MET A 29 -10.703 20.866 51.977 1.00 43.73 H new ATOM 0 HE3 MET A 29 -9.799 22.165 52.017 1.00 43.73 H new ATOM 218 N LEU A 30 -10.144 27.941 52.389 1.00 29.78 N ATOM 219 CA LEU A 30 -9.131 28.962 52.792 1.00 30.24 C ATOM 220 C LEU A 30 -8.541 28.396 54.161 1.00 30.65 C ATOM 221 O LEU A 30 -9.042 27.428 54.745 1.00 26.79 O ATOM 222 CB LEU A 30 -9.927 30.226 53.178 1.00 31.10 C ATOM 223 CG LEU A 30 -10.829 30.830 52.046 1.00 19.82 C ATOM 224 CD1 LEU A 30 -11.570 32.107 52.404 1.00 26.74 C ATOM 225 CD2 LEU A 30 -9.778 31.183 50.934 1.00 26.69 C ATOM 0 H LEU A 30 -10.976 28.141 52.476 1.00 29.78 H new ATOM 0 HA LEU A 30 -8.463 29.140 52.112 1.00 30.24 H new ATOM 0 HB2 LEU A 30 -10.489 30.015 53.940 1.00 31.10 H new ATOM 0 HB3 LEU A 30 -9.301 30.907 53.468 1.00 31.10 H new ATOM 0 HG LEU A 30 -11.530 30.200 51.815 1.00 19.82 H new ATOM 0 HD11 LEU A 30 -12.097 32.400 51.644 1.00 26.74 H new ATOM 0 HD12 LEU A 30 -12.157 31.940 53.158 1.00 26.74 H new ATOM 0 HD13 LEU A 30 -10.930 32.798 52.639 1.00 26.74 H new ATOM 0 HD21 LEU A 30 -10.233 31.571 50.170 1.00 26.69 H new ATOM 0 HD22 LEU A 30 -9.136 31.820 51.286 1.00 26.69 H new ATOM 0 HD23 LEU A 30 -9.315 30.376 50.658 1.00 26.69 H new ATOM 226 N GLU A 31 -7.584 29.104 54.686 1.00 23.45 N ATOM 227 CA GLU A 31 -6.801 28.608 55.826 1.00 27.50 C ATOM 228 C GLU A 31 -7.664 28.220 57.041 1.00 25.85 C ATOM 229 O GLU A 31 -7.265 27.385 57.915 1.00 30.18 O ATOM 230 CB GLU A 31 -5.943 29.887 56.219 1.00 36.80 C ATOM 231 CG GLU A 31 -4.905 29.515 57.229 1.00 47.09 C ATOM 232 CD GLU A 31 -3.815 30.565 57.377 1.00 41.47 C ATOM 233 OE1 GLU A 31 -4.057 31.689 56.937 1.00 50.49 O ATOM 234 OE2 GLU A 31 -2.773 30.173 57.873 1.00 46.37 O ATOM 0 H GLU A 31 -7.354 29.885 54.408 1.00 23.45 H new ATOM 0 HA GLU A 31 -6.304 27.809 55.592 1.00 27.50 H new ATOM 0 HB2 GLU A 31 -5.519 30.257 55.429 1.00 36.80 H new ATOM 0 HB3 GLU A 31 -6.523 30.577 56.579 1.00 36.80 H new ATOM 0 HG2 GLU A 31 -5.333 29.377 58.089 1.00 47.09 H new ATOM 0 HG3 GLU A 31 -4.501 28.671 56.974 1.00 47.09 H new ATOM 235 N ASP A 32 -8.783 28.936 57.181 1.00 28.96 N ATOM 236 CA ASP A 32 -9.568 28.798 58.472 1.00 46.17 C ATOM 237 C ASP A 32 -10.605 27.689 58.355 1.00 42.40 C ATOM 238 O ASP A 32 -11.424 27.392 59.192 1.00 39.85 O ATOM 239 CB ASP A 32 -10.242 30.146 58.706 1.00 45.93 C ATOM 240 CG ASP A 32 -11.189 30.442 57.582 1.00 45.97 C ATOM 241 OD1 ASP A 32 -11.109 29.857 56.445 1.00 45.06 O ATOM 242 OD2 ASP A 32 -12.038 31.327 57.764 1.00 59.80 O ATOM 0 H ASP A 32 -9.108 29.479 56.598 1.00 28.96 H new ATOM 0 HA ASP A 32 -8.988 28.562 59.213 1.00 46.17 H new ATOM 0 HB2 ASP A 32 -10.721 30.135 59.549 1.00 45.93 H new ATOM 0 HB3 ASP A 32 -9.573 30.845 58.769 1.00 45.93 H new ATOM 243 N GLY A 33 -10.672 27.085 57.169 1.00 30.73 N ATOM 244 CA GLY A 33 -11.593 26.038 56.855 1.00 25.21 C ATOM 245 C GLY A 33 -12.781 26.360 56.040 1.00 28.26 C ATOM 246 O GLY A 33 -13.622 25.453 55.786 1.00 28.58 O ATOM 0 H GLY A 33 -10.157 27.293 56.512 1.00 30.73 H new ATOM 0 HA2 GLY A 33 -11.100 25.341 56.394 1.00 25.21 H new ATOM 0 HA3 GLY A 33 -11.904 25.659 57.692 1.00 25.21 H new ATOM 247 N LYS A 34 -12.936 27.664 55.689 1.00 25.18 N ATOM 248 CA LYS A 34 -14.046 28.028 54.823 1.00 29.88 C ATOM 249 C LYS A 34 -13.928 27.365 53.418 1.00 29.56 C ATOM 250 O LYS A 34 -12.973 27.627 52.659 1.00 24.35 O ATOM 251 CB LYS A 34 -14.012 29.508 54.460 1.00 29.72 C ATOM 252 CG LYS A 34 -15.265 29.947 53.665 1.00 41.21 C ATOM 253 CD LYS A 34 -14.922 31.224 52.925 1.00 62.07 C ATOM 254 CE LYS A 34 -16.128 31.753 52.154 1.00 84.35 C ATOM 255 NZ LYS A 34 -15.780 33.089 51.587 1.00 95.01 N ATOM 0 H LYS A 34 -12.427 28.311 55.937 1.00 25.18 H new ATOM 0 HA LYS A 34 -14.834 27.758 55.321 1.00 29.88 H new ATOM 0 HB2 LYS A 34 -13.945 30.036 55.271 1.00 29.72 H new ATOM 0 HB3 LYS A 34 -13.218 29.692 53.935 1.00 29.72 H new ATOM 0 HG2 LYS A 34 -15.531 29.254 53.041 1.00 41.21 H new ATOM 0 HG3 LYS A 34 -16.014 30.092 54.264 1.00 41.21 H new ATOM 0 HD2 LYS A 34 -14.618 31.895 53.556 1.00 62.07 H new ATOM 0 HD3 LYS A 34 -14.189 31.059 52.311 1.00 62.07 H new ATOM 0 HE2 LYS A 34 -16.370 31.138 51.444 1.00 84.35 H new ATOM 0 HE3 LYS A 34 -16.897 31.826 52.740 1.00 84.35 H new ATOM 0 HZ1 LYS A 34 -16.476 33.410 51.134 1.00 95.01 H new ATOM 0 HZ2 LYS A 34 -15.574 33.648 52.248 1.00 95.01 H new ATOM 0 HZ3 LYS A 34 -15.083 33.007 51.040 1.00 95.01 H new ATOM 256 N LYS A 35 -14.940 26.529 53.142 1.00 23.91 N ATOM 257 CA LYS A 35 -14.796 25.830 51.798 1.00 21.87 C ATOM 258 C LYS A 35 -15.161 26.810 50.610 1.00 28.75 C ATOM 259 O LYS A 35 -16.260 27.406 50.611 1.00 27.15 O ATOM 260 CB LYS A 35 -15.823 24.727 51.694 1.00 20.59 C ATOM 261 CG LYS A 35 -15.887 23.901 50.400 1.00 27.82 C ATOM 262 CD LYS A 35 -16.651 22.564 50.698 1.00 42.10 C ATOM 263 CE LYS A 35 -18.096 22.722 51.026 1.00 54.79 C ATOM 264 NZ LYS A 35 -18.694 21.324 51.053 1.00 47.39 N ATOM 0 H LYS A 35 -15.631 26.353 53.622 1.00 23.91 H new ATOM 0 HA LYS A 35 -13.881 25.513 51.740 1.00 21.87 H new ATOM 0 HB2 LYS A 35 -15.670 24.112 52.429 1.00 20.59 H new ATOM 0 HB3 LYS A 35 -16.697 25.124 51.833 1.00 20.59 H new ATOM 0 HG2 LYS A 35 -16.341 24.401 49.704 1.00 27.82 H new ATOM 0 HG3 LYS A 35 -14.992 23.713 50.076 1.00 27.82 H new ATOM 0 HD2 LYS A 35 -16.571 21.983 49.926 1.00 42.10 H new ATOM 0 HD3 LYS A 35 -16.213 22.115 51.438 1.00 42.10 H new ATOM 0 HE2 LYS A 35 -18.208 23.161 51.884 1.00 54.79 H new ATOM 0 HE3 LYS A 35 -18.541 23.274 50.364 1.00 54.79 H new ATOM 0 HZ1 LYS A 35 -19.455 21.335 51.515 1.00 47.39 H new ATOM 0 HZ2 LYS A 35 -18.857 21.054 50.221 1.00 47.39 H new ATOM 0 HZ3 LYS A 35 -18.121 20.763 51.439 1.00 47.39 H new ATOM 265 N PHE A 36 -14.321 26.796 49.586 1.00 22.83 N ATOM 266 CA PHE A 36 -14.654 27.615 48.381 1.00 29.56 C ATOM 267 C PHE A 36 -15.046 26.718 47.205 1.00 28.25 C ATOM 268 O PHE A 36 -15.584 27.302 46.256 1.00 26.22 O ATOM 269 CB PHE A 36 -13.493 28.588 48.086 1.00 25.57 C ATOM 270 CG PHE A 36 -12.104 28.003 47.902 1.00 28.88 C ATOM 271 CD1 PHE A 36 -11.759 27.332 46.679 1.00 25.12 C ATOM 272 CD2 PHE A 36 -11.064 28.127 48.818 1.00 27.82 C ATOM 273 CE1 PHE A 36 -10.528 26.799 46.539 1.00 25.72 C ATOM 274 CE2 PHE A 36 -9.811 27.594 48.613 1.00 25.96 C ATOM 275 CZ PHE A 36 -9.493 26.911 47.435 1.00 24.53 C ATOM 0 H PHE A 36 -13.586 26.351 49.547 1.00 22.83 H new ATOM 0 HA PHE A 36 -15.437 28.163 48.548 1.00 29.56 H new ATOM 0 HB2 PHE A 36 -13.716 29.082 47.282 1.00 25.57 H new ATOM 0 HB3 PHE A 36 -13.452 29.230 48.812 1.00 25.57 H new ATOM 0 HD1 PHE A 36 -12.380 27.266 45.990 1.00 25.12 H new ATOM 0 HD2 PHE A 36 -11.223 28.593 49.607 1.00 27.82 H new ATOM 0 HE1 PHE A 36 -10.365 26.311 45.764 1.00 25.72 H new ATOM 0 HE2 PHE A 36 -9.162 27.690 49.272 1.00 25.96 H new ATOM 0 HZ PHE A 36 -8.647 26.560 47.271 1.00 24.53 H new ATOM 276 N ASP A 37 -14.634 25.474 47.175 1.00 21.02 N ATOM 277 CA ASP A 37 -14.916 24.595 46.027 1.00 26.78 C ATOM 278 C ASP A 37 -14.744 23.093 46.351 1.00 21.29 C ATOM 279 O ASP A 37 -13.932 22.790 47.243 1.00 22.68 O ATOM 280 CB ASP A 37 -13.933 24.959 44.880 1.00 31.39 C ATOM 281 CG ASP A 37 -14.268 24.297 43.565 1.00 25.75 C ATOM 282 OD1 ASP A 37 -15.388 23.759 43.372 1.00 27.79 O ATOM 283 OD2 ASP A 37 -13.365 24.340 42.665 1.00 25.81 O ATOM 0 H ASP A 37 -14.185 25.101 47.807 1.00 21.02 H new ATOM 0 HA ASP A 37 -15.843 24.734 45.778 1.00 26.78 H new ATOM 0 HB2 ASP A 37 -13.932 25.921 44.758 1.00 31.39 H new ATOM 0 HB3 ASP A 37 -13.034 24.705 45.142 1.00 31.39 H new ATOM 284 N SER A 38 -15.511 22.239 45.737 1.00 21.43 N ATOM 285 CA SER A 38 -15.185 20.822 45.859 1.00 23.43 C ATOM 286 C SER A 38 -15.761 20.104 44.622 1.00 21.11 C ATOM 287 O SER A 38 -16.955 20.238 44.371 1.00 22.08 O ATOM 288 CB SER A 38 -15.951 20.323 47.122 1.00 27.68 C ATOM 289 OG SER A 38 -15.726 18.940 47.251 1.00 25.39 O ATOM 0 H SER A 38 -16.200 22.431 45.260 1.00 21.43 H new ATOM 0 HA SER A 38 -14.231 20.659 45.925 1.00 23.43 H new ATOM 0 HB2 SER A 38 -15.642 20.792 47.913 1.00 27.68 H new ATOM 0 HB3 SER A 38 -16.900 20.505 47.037 1.00 27.68 H new ATOM 0 HG SER A 38 -15.136 18.805 47.834 1.00 25.39 H new ATOM 290 N SER A 39 -14.839 19.300 44.023 1.00 19.87 N ATOM 291 CA SER A 39 -15.324 18.401 42.968 1.00 23.15 C ATOM 292 C SER A 39 -16.257 17.420 43.537 1.00 25.03 C ATOM 293 O SER A 39 -17.092 16.879 42.846 1.00 25.00 O ATOM 294 CB SER A 39 -14.172 17.735 42.227 1.00 23.44 C ATOM 295 OG SER A 39 -13.365 16.996 43.148 1.00 23.71 O ATOM 0 H SER A 39 -13.998 19.267 44.202 1.00 19.87 H new ATOM 0 HA SER A 39 -15.804 18.926 42.309 1.00 23.15 H new ATOM 0 HB2 SER A 39 -14.517 17.144 41.540 1.00 23.44 H new ATOM 0 HB3 SER A 39 -13.634 18.406 41.779 1.00 23.44 H new ATOM 0 HG SER A 39 -13.615 16.194 43.159 1.00 23.71 H new ATOM 296 N ARG A 40 -15.942 17.044 45.012 1.00 28.15 N ATOM 297 CA ARG A 40 -16.847 16.049 45.439 1.00 31.45 C ATOM 298 C ARG A 40 -18.320 16.457 45.602 1.00 32.44 C ATOM 299 O ARG A 40 -19.286 15.637 45.373 1.00 33.92 O ATOM 300 CB ARG A 40 -16.368 15.555 46.936 1.00 29.83 C ATOM 301 CG ARG A 40 -15.188 14.658 46.838 1.00 36.79 C ATOM 302 CD ARG A 40 -15.025 14.139 48.355 1.00 37.64 C ATOM 303 NE ARG A 40 -13.630 13.755 48.345 1.00 30.45 N ATOM 304 CZ ARG A 40 -13.090 12.635 47.906 1.00 29.84 C ATOM 305 NH1 ARG A 40 -13.947 11.742 47.454 1.00 32.62 N ATOM 306 NH2 ARG A 40 -11.793 12.312 47.863 1.00 26.63 N ATOM 0 H ARG A 40 -15.339 17.342 45.547 1.00 28.15 H new ATOM 0 HA ARG A 40 -16.821 15.384 44.733 1.00 31.45 H new ATOM 0 HB2 ARG A 40 -16.150 16.326 47.482 1.00 29.83 H new ATOM 0 HB3 ARG A 40 -17.097 15.092 47.378 1.00 29.83 H new ATOM 0 HG2 ARG A 40 -15.340 13.926 46.219 1.00 36.79 H new ATOM 0 HG3 ARG A 40 -14.399 15.130 46.530 1.00 36.79 H new ATOM 0 HD2 ARG A 40 -15.213 14.833 49.006 1.00 37.64 H new ATOM 0 HD3 ARG A 40 -15.613 13.394 48.557 1.00 37.64 H new ATOM 0 HE ARG A 40 -13.081 14.333 48.668 1.00 30.45 H new ATOM 0 HH11 ARG A 40 -14.790 11.913 47.461 1.00 32.62 H new ATOM 0 HH12 ARG A 40 -13.664 10.988 47.152 1.00 32.62 H new ATOM 0 HH21 ARG A 40 -11.202 12.869 48.144 1.00 26.63 H new ATOM 0 HH22 ARG A 40 -11.550 11.547 47.554 1.00 26.63 H new ATOM 307 N ASP A 41 -18.584 17.718 45.846 1.00 40.90 N ATOM 308 CA ASP A 41 -19.881 18.299 45.814 1.00 48.63 C ATOM 309 C ASP A 41 -20.687 18.175 44.536 1.00 53.70 C ATOM 310 O ASP A 41 -21.910 18.128 44.574 1.00 55.03 O ATOM 311 CB ASP A 41 -19.931 19.794 46.217 1.00 41.45 C ATOM 312 CG ASP A 41 -19.601 19.809 47.700 1.00 35.09 C ATOM 313 OD1 ASP A 41 -19.724 18.802 48.428 1.00 52.89 O ATOM 314 OD2 ASP A 41 -19.061 20.731 48.284 1.00 48.48 O ATOM 0 H ASP A 41 -17.969 18.285 46.046 1.00 40.90 H new ATOM 0 HA ASP A 41 -20.297 17.733 46.483 1.00 48.63 H new ATOM 0 HB2 ASP A 41 -19.291 20.317 45.709 1.00 41.45 H new ATOM 0 HB3 ASP A 41 -20.807 20.175 46.048 1.00 41.45 H new ATOM 315 N ARG A 42 -20.025 18.010 43.417 1.00 37.39 N ATOM 316 CA ARG A 42 -20.557 17.804 42.120 1.00 36.77 C ATOM 317 C ARG A 42 -20.615 16.322 41.768 1.00 34.18 C ATOM 318 O ARG A 42 -20.995 15.976 40.670 1.00 35.40 O ATOM 319 CB ARG A 42 -19.641 18.592 41.100 1.00 42.25 C ATOM 320 CG ARG A 42 -19.779 20.110 41.353 1.00 40.31 C ATOM 321 CD ARG A 42 -19.120 20.950 40.208 1.00 34.29 C ATOM 322 NE ARG A 42 -17.651 20.842 40.328 1.00 30.17 N ATOM 323 CZ ARG A 42 -17.147 21.721 41.318 1.00 22.59 C ATOM 324 NH1 ARG A 42 -17.914 22.559 41.980 1.00 30.82 N ATOM 325 NH2 ARG A 42 -15.839 21.766 41.516 1.00 31.92 N ATOM 0 H ARG A 42 -19.165 18.018 43.408 1.00 37.39 H new ATOM 0 HA ARG A 42 -21.469 18.131 42.081 1.00 36.77 H new ATOM 0 HB2 ARG A 42 -18.716 18.320 41.204 1.00 42.25 H new ATOM 0 HB3 ARG A 42 -19.899 18.381 40.189 1.00 42.25 H new ATOM 0 HG2 ARG A 42 -20.718 20.342 41.426 1.00 40.31 H new ATOM 0 HG3 ARG A 42 -19.364 20.336 42.200 1.00 40.31 H new ATOM 0 HD2 ARG A 42 -19.412 20.625 39.342 1.00 34.29 H new ATOM 0 HD3 ARG A 42 -19.395 21.878 40.270 1.00 34.29 H new ATOM 0 HE ARG A 42 -17.164 20.313 39.857 1.00 30.17 H new ATOM 0 HH11 ARG A 42 -18.758 22.588 41.819 1.00 30.82 H new ATOM 0 HH12 ARG A 42 -17.571 23.078 42.574 1.00 30.82 H new ATOM 0 HH21 ARG A 42 -15.316 21.269 41.049 1.00 31.92 H new ATOM 0 HH22 ARG A 42 -15.512 22.293 42.112 1.00 31.92 H new ATOM 326 N ASN A 43 -19.999 15.519 42.684 1.00 33.31 N ATOM 327 CA ASN A 43 -19.794 14.105 42.448 1.00 42.26 C ATOM 328 C ASN A 43 -19.240 13.904 41.046 1.00 46.20 C ATOM 329 O ASN A 43 -19.657 13.039 40.278 1.00 40.99 O ATOM 330 CB ASN A 43 -21.157 13.410 42.857 1.00 40.35 C ATOM 331 CG ASN A 43 -20.942 11.992 43.037 1.00 37.60 C ATOM 332 OD1 ASN A 43 -19.844 11.455 43.573 1.00 62.30 O flip ATOM 333 ND2 ASN A 43 -21.783 11.057 42.799 1.00 32.31 N flip ATOM 0 H ASN A 43 -19.701 15.798 43.441 1.00 33.31 H new ATOM 0 HA ASN A 43 -19.111 13.671 42.984 1.00 42.26 H new ATOM 0 HB2 ASN A 43 -21.497 13.802 43.677 1.00 40.35 H new ATOM 0 HB3 ASN A 43 -21.826 13.561 42.171 1.00 40.35 H new ATOM 0 HD21 ASN A 43 -22.547 11.244 42.450 1.00 32.31 H new ATOM 0 HD22 ASN A 43 -21.585 10.242 42.988 1.00 32.31 H new ATOM 334 N LYS A 44 -18.238 14.733 40.645 1.00 35.48 N ATOM 335 CA LYS A 44 -17.635 14.608 39.320 1.00 28.76 C ATOM 336 C LYS A 44 -16.120 14.886 39.432 1.00 27.16 C ATOM 337 O LYS A 44 -15.767 15.963 39.833 1.00 26.17 O ATOM 338 CB LYS A 44 -18.287 15.749 38.475 1.00 42.67 C ATOM 339 CG LYS A 44 -17.736 15.696 37.051 1.00 58.26 C ATOM 340 CD LYS A 44 -18.373 16.544 36.003 1.00 77.43 C ATOM 341 CE LYS A 44 -19.851 16.817 36.090 1.00 87.09 C ATOM 342 NZ LYS A 44 -20.337 17.895 37.006 1.00 82.63 N ATOM 0 H LYS A 44 -17.908 15.362 41.131 1.00 35.48 H new ATOM 0 HA LYS A 44 -17.768 13.729 38.933 1.00 28.76 H new ATOM 0 HB2 LYS A 44 -19.252 15.648 38.464 1.00 42.67 H new ATOM 0 HB3 LYS A 44 -18.097 16.612 38.875 1.00 42.67 H new ATOM 0 HG2 LYS A 44 -16.796 15.934 37.090 1.00 58.26 H new ATOM 0 HG3 LYS A 44 -17.783 14.774 36.752 1.00 58.26 H new ATOM 0 HD2 LYS A 44 -17.916 17.400 36.000 1.00 77.43 H new ATOM 0 HD3 LYS A 44 -18.201 16.128 35.144 1.00 77.43 H new ATOM 0 HE2 LYS A 44 -20.163 17.030 35.196 1.00 87.09 H new ATOM 0 HE3 LYS A 44 -20.286 15.991 36.353 1.00 87.09 H new ATOM 0 HZ1 LYS A 44 -21.209 17.791 37.150 1.00 82.63 H new ATOM 0 HZ2 LYS A 44 -19.901 17.846 37.780 1.00 82.63 H new ATOM 0 HZ3 LYS A 44 -20.191 18.690 36.633 1.00 82.63 H new ATOM 343 N PRO A 45 -15.233 13.910 39.221 1.00 32.03 N ATOM 344 CA PRO A 45 -13.829 14.014 39.418 1.00 31.93 C ATOM 345 C PRO A 45 -13.263 15.081 38.465 1.00 26.40 C ATOM 346 O PRO A 45 -13.919 15.327 37.421 1.00 24.23 O ATOM 347 CB PRO A 45 -13.260 12.604 39.104 1.00 35.20 C ATOM 348 CG PRO A 45 -14.424 11.679 39.446 1.00 35.32 C ATOM 349 CD PRO A 45 -15.609 12.482 38.946 1.00 43.33 C ATOM 0 HA PRO A 45 -13.591 14.284 40.319 1.00 31.93 H new ATOM 0 HB2 PRO A 45 -12.997 12.522 38.174 1.00 35.20 H new ATOM 0 HB3 PRO A 45 -12.475 12.406 39.639 1.00 35.20 H new ATOM 0 HG2 PRO A 45 -14.351 10.821 39.000 1.00 35.32 H new ATOM 0 HG3 PRO A 45 -14.480 11.500 40.398 1.00 35.32 H new ATOM 0 HD2 PRO A 45 -15.764 12.333 38.000 1.00 43.33 H new ATOM 0 HD3 PRO A 45 -16.425 12.235 39.409 1.00 43.33 H new ATOM 350 N PHE A 46 -12.174 15.624 38.889 1.00 20.37 N ATOM 351 CA PHE A 46 -11.537 16.761 38.132 1.00 19.26 C ATOM 352 C PHE A 46 -10.314 16.195 37.421 1.00 23.77 C ATOM 353 O PHE A 46 -9.508 15.454 37.965 1.00 18.55 O ATOM 354 CB PHE A 46 -10.984 17.820 39.187 1.00 17.02 C ATOM 355 CG PHE A 46 -10.144 18.940 38.483 1.00 18.14 C ATOM 356 CD1 PHE A 46 -10.784 19.810 37.624 1.00 21.22 C ATOM 357 CD2 PHE A 46 -8.838 19.082 38.868 1.00 22.20 C ATOM 358 CE1 PHE A 46 -9.950 20.816 37.018 1.00 17.85 C ATOM 359 CE2 PHE A 46 -8.045 20.081 38.341 1.00 22.63 C ATOM 360 CZ PHE A 46 -8.607 20.961 37.415 1.00 21.47 C ATOM 0 H PHE A 46 -11.756 15.384 39.601 1.00 20.37 H new ATOM 0 HA PHE A 46 -12.173 17.165 37.521 1.00 19.26 H new ATOM 0 HB2 PHE A 46 -11.727 18.222 39.665 1.00 17.02 H new ATOM 0 HB3 PHE A 46 -10.435 17.367 39.846 1.00 17.02 H new ATOM 0 HD1 PHE A 46 -11.695 19.751 37.448 1.00 21.22 H new ATOM 0 HD2 PHE A 46 -8.479 18.496 39.495 1.00 22.20 H new ATOM 0 HE1 PHE A 46 -10.301 21.373 36.361 1.00 17.85 H new ATOM 0 HE2 PHE A 46 -7.155 20.166 38.597 1.00 22.63 H new ATOM 0 HZ PHE A 46 -8.091 21.648 37.058 1.00 21.47 H new ATOM 361 N LYS A 47 -10.193 16.579 36.116 1.00 24.10 N ATOM 362 CA LYS A 47 -9.098 15.956 35.336 1.00 22.98 C ATOM 363 C LYS A 47 -8.274 17.167 34.825 1.00 23.76 C ATOM 364 O LYS A 47 -8.825 18.219 34.512 1.00 24.28 O ATOM 365 CB LYS A 47 -9.618 15.139 34.127 1.00 23.52 C ATOM 366 CG LYS A 47 -10.571 13.970 34.525 1.00 25.17 C ATOM 367 CD LYS A 47 -10.758 13.063 33.289 1.00 34.57 C ATOM 368 CE LYS A 47 -11.412 11.741 33.691 1.00 42.77 C ATOM 369 NZ LYS A 47 -12.770 12.063 34.132 1.00 48.14 N ATOM 0 H LYS A 47 -10.689 17.146 35.702 1.00 24.10 H new ATOM 0 HA LYS A 47 -8.593 15.330 35.878 1.00 22.98 H new ATOM 0 HB2 LYS A 47 -10.085 15.735 33.521 1.00 23.52 H new ATOM 0 HB3 LYS A 47 -8.860 14.777 33.641 1.00 23.52 H new ATOM 0 HG2 LYS A 47 -10.197 13.464 35.263 1.00 25.17 H new ATOM 0 HG3 LYS A 47 -11.426 14.317 34.824 1.00 25.17 H new ATOM 0 HD2 LYS A 47 -11.307 13.515 32.629 1.00 34.57 H new ATOM 0 HD3 LYS A 47 -9.898 12.892 32.873 1.00 34.57 H new ATOM 0 HE2 LYS A 47 -11.430 11.124 32.943 1.00 42.77 H new ATOM 0 HE3 LYS A 47 -10.912 11.311 34.402 1.00 42.77 H new ATOM 0 HZ1 LYS A 47 -13.351 11.529 33.720 1.00 48.14 H new ATOM 0 HZ2 LYS A 47 -12.832 11.945 35.012 1.00 48.14 H new ATOM 0 HZ3 LYS A 47 -12.954 12.911 33.933 1.00 48.14 H new ATOM 370 N PHE A 48 -6.980 16.912 34.855 1.00 22.65 N ATOM 371 CA PHE A 48 -6.023 17.838 34.297 1.00 25.54 C ATOM 372 C PHE A 48 -4.689 17.170 34.018 1.00 25.92 C ATOM 373 O PHE A 48 -4.404 16.040 34.407 1.00 27.94 O ATOM 374 CB PHE A 48 -5.871 19.028 35.381 1.00 22.72 C ATOM 375 CG PHE A 48 -4.917 18.638 36.441 1.00 26.13 C ATOM 376 CD1 PHE A 48 -5.370 17.803 37.460 1.00 25.66 C ATOM 377 CD2 PHE A 48 -3.604 19.154 36.420 1.00 29.21 C ATOM 378 CE1 PHE A 48 -4.495 17.444 38.505 1.00 20.87 C ATOM 379 CE2 PHE A 48 -2.719 18.768 37.463 1.00 28.40 C ATOM 380 CZ PHE A 48 -3.213 17.905 38.435 1.00 25.60 C ATOM 0 H PHE A 48 -6.635 16.202 35.197 1.00 22.65 H new ATOM 0 HA PHE A 48 -6.327 18.177 33.441 1.00 25.54 H new ATOM 0 HB2 PHE A 48 -5.564 19.836 34.942 1.00 22.72 H new ATOM 0 HB3 PHE A 48 -6.735 19.229 35.773 1.00 22.72 H new ATOM 0 HD1 PHE A 48 -6.244 17.485 37.451 1.00 25.66 H new ATOM 0 HD2 PHE A 48 -3.326 19.729 35.744 1.00 29.21 H new ATOM 0 HE1 PHE A 48 -4.780 16.914 39.214 1.00 20.87 H new ATOM 0 HE2 PHE A 48 -1.844 19.080 37.494 1.00 28.40 H new ATOM 0 HZ PHE A 48 -2.620 17.618 39.092 1.00 25.60 H new ATOM 381 N MET A 49 -3.779 17.872 33.311 1.00 27.45 N ATOM 382 CA MET A 49 -2.472 17.311 32.950 1.00 29.56 C ATOM 383 C MET A 49 -1.365 18.111 33.702 1.00 30.47 C ATOM 384 O MET A 49 -1.534 19.338 33.652 1.00 28.34 O ATOM 385 CB MET A 49 -2.278 17.585 31.455 1.00 38.00 C ATOM 386 CG MET A 49 -0.950 16.987 30.974 1.00 49.56 C ATOM 387 SD MET A 49 -0.779 16.857 29.143 1.00 50.80 S ATOM 388 CE MET A 49 -2.362 16.118 28.800 1.00 40.43 C ATOM 0 H MET A 49 -3.906 18.676 33.034 1.00 27.45 H new ATOM 0 HA MET A 49 -2.424 16.367 33.167 1.00 29.56 H new ATOM 0 HB2 MET A 49 -3.014 17.203 30.951 1.00 38.00 H new ATOM 0 HB3 MET A 49 -2.288 18.541 31.291 1.00 38.00 H new ATOM 0 HG2 MET A 49 -0.223 17.530 31.316 1.00 49.56 H new ATOM 0 HG3 MET A 49 -0.850 16.102 31.359 1.00 49.56 H new ATOM 0 HE1 MET A 49 -2.323 15.647 27.953 1.00 40.43 H new ATOM 0 HE2 MET A 49 -2.587 15.493 29.507 1.00 40.43 H new ATOM 0 HE3 MET A 49 -3.039 16.811 28.754 1.00 40.43 H new ATOM 389 N LEU A 50 -0.431 17.445 34.307 1.00 25.79 N ATOM 390 CA LEU A 50 0.660 18.172 34.976 1.00 36.11 C ATOM 391 C LEU A 50 1.783 18.651 34.017 1.00 31.84 C ATOM 392 O LEU A 50 1.922 18.130 32.988 1.00 33.90 O ATOM 393 CB LEU A 50 1.355 17.182 35.931 1.00 29.57 C ATOM 394 CG LEU A 50 1.339 17.103 37.411 1.00 44.07 C ATOM 395 CD1 LEU A 50 0.685 18.217 38.176 1.00 27.74 C ATOM 396 CD2 LEU A 50 0.943 15.677 37.867 1.00 38.03 C ATOM 0 H LEU A 50 -0.388 16.587 34.356 1.00 25.79 H new ATOM 0 HA LEU A 50 0.255 18.945 35.399 1.00 36.11 H new ATOM 0 HB2 LEU A 50 1.050 16.309 35.639 1.00 29.57 H new ATOM 0 HB3 LEU A 50 2.296 17.245 35.702 1.00 29.57 H new ATOM 0 HG LEU A 50 2.257 17.272 37.673 1.00 44.07 H new ATOM 0 HD11 LEU A 50 0.747 18.037 39.127 1.00 27.74 H new ATOM 0 HD12 LEU A 50 1.133 19.054 37.976 1.00 27.74 H new ATOM 0 HD13 LEU A 50 -0.248 18.281 37.920 1.00 27.74 H new ATOM 0 HD21 LEU A 50 0.936 15.637 38.836 1.00 38.03 H new ATOM 0 HD22 LEU A 50 0.060 15.462 37.529 1.00 38.03 H new ATOM 0 HD23 LEU A 50 1.585 15.037 37.522 1.00 38.03 H new ATOM 397 N GLY A 51 2.556 19.701 34.406 1.00 37.56 N ATOM 398 CA GLY A 51 3.783 20.055 33.746 1.00 50.59 C ATOM 399 C GLY A 51 3.590 21.138 32.681 1.00 56.60 C ATOM 400 O GLY A 51 4.584 21.508 32.079 1.00 62.75 O ATOM 0 H GLY A 51 2.357 20.214 35.067 1.00 37.56 H new ATOM 0 HA2 GLY A 51 4.423 20.366 34.406 1.00 50.59 H new ATOM 0 HA3 GLY A 51 4.163 19.264 33.333 1.00 50.59 H new ATOM 401 N LYS A 52 2.447 21.659 32.367 1.00 37.00 N ATOM 402 CA LYS A 52 2.039 22.535 31.372 1.00 45.34 C ATOM 403 C LYS A 52 1.459 23.854 31.932 1.00 40.20 C ATOM 404 O LYS A 52 0.725 24.541 31.271 1.00 39.12 O ATOM 405 CB LYS A 52 0.898 21.867 30.598 1.00 57.66 C ATOM 406 CG LYS A 52 1.024 20.473 30.053 1.00 69.03 C ATOM 407 CD LYS A 52 1.968 20.320 28.883 1.00 77.85 C ATOM 408 CE LYS A 52 2.569 18.915 28.843 1.00 85.55 C ATOM 409 NZ LYS A 52 3.911 18.846 28.202 1.00 77.33 N ATOM 0 H LYS A 52 1.765 21.449 32.847 1.00 37.00 H new ATOM 0 HA LYS A 52 2.818 22.737 30.830 1.00 45.34 H new ATOM 0 HB2 LYS A 52 0.123 21.872 31.181 1.00 57.66 H new ATOM 0 HB3 LYS A 52 0.692 22.445 29.847 1.00 57.66 H new ATOM 0 HG2 LYS A 52 1.321 19.888 30.768 1.00 69.03 H new ATOM 0 HG3 LYS A 52 0.144 20.167 29.782 1.00 69.03 H new ATOM 0 HD2 LYS A 52 1.494 20.496 28.055 1.00 77.85 H new ATOM 0 HD3 LYS A 52 2.678 20.977 28.948 1.00 77.85 H new ATOM 0 HE2 LYS A 52 2.636 18.577 29.750 1.00 85.55 H new ATOM 0 HE3 LYS A 52 1.962 18.328 28.365 1.00 85.55 H new ATOM 0 HZ1 LYS A 52 4.202 18.005 28.212 1.00 77.33 H new ATOM 0 HZ2 LYS A 52 3.853 19.130 27.361 1.00 77.33 H new ATOM 0 HZ3 LYS A 52 4.481 19.362 28.650 1.00 77.33 H new ATOM 410 N GLN A 53 1.647 24.073 33.245 1.00 35.80 N ATOM 411 CA GLN A 53 1.151 25.193 33.994 1.00 43.26 C ATOM 412 C GLN A 53 -0.375 25.362 33.826 1.00 33.35 C ATOM 413 O GLN A 53 -0.932 26.471 33.888 1.00 34.37 O ATOM 414 CB GLN A 53 1.927 26.489 33.693 1.00 43.97 C ATOM 415 CG GLN A 53 3.391 26.484 34.019 1.00 50.85 C ATOM 416 CD GLN A 53 4.249 25.326 33.607 1.00 73.02 C ATOM 417 OE1 GLN A 53 4.378 24.320 34.355 1.00 81.73 O ATOM 418 NE2 GLN A 53 4.839 25.366 32.419 1.00 73.16 N ATOM 0 H GLN A 53 2.097 23.527 33.734 1.00 35.80 H new ATOM 0 HA GLN A 53 1.308 24.999 34.931 1.00 43.26 H new ATOM 0 HB2 GLN A 53 1.827 26.691 32.749 1.00 43.97 H new ATOM 0 HB3 GLN A 53 1.509 27.214 34.184 1.00 43.97 H new ATOM 0 HG2 GLN A 53 3.776 27.282 33.625 1.00 50.85 H new ATOM 0 HG3 GLN A 53 3.472 26.575 34.981 1.00 50.85 H new ATOM 0 HE21 GLN A 53 4.745 26.057 31.915 1.00 73.16 H new ATOM 0 HE22 GLN A 53 5.315 24.701 32.153 1.00 73.16 H new ATOM 419 N GLU A 54 -1.059 24.214 33.735 1.00 28.48 N ATOM 420 CA GLU A 54 -2.525 24.290 33.752 1.00 32.13 C ATOM 421 C GLU A 54 -3.061 24.709 35.087 1.00 27.84 C ATOM 422 O GLU A 54 -4.047 25.386 35.150 1.00 29.05 O ATOM 423 CB GLU A 54 -3.309 22.981 33.415 1.00 33.56 C ATOM 424 CG GLU A 54 -2.861 22.381 32.102 1.00 39.03 C ATOM 425 CD GLU A 54 -3.750 21.259 31.643 1.00 35.53 C ATOM 426 OE1 GLU A 54 -4.626 20.683 32.332 1.00 29.17 O ATOM 427 OE2 GLU A 54 -3.608 21.018 30.390 1.00 41.15 O ATOM 0 H GLU A 54 -0.719 23.427 33.667 1.00 28.48 H new ATOM 0 HA GLU A 54 -2.673 24.939 33.046 1.00 32.13 H new ATOM 0 HB2 GLU A 54 -3.180 22.335 34.127 1.00 33.56 H new ATOM 0 HB3 GLU A 54 -4.259 23.174 33.375 1.00 33.56 H new ATOM 0 HG2 GLU A 54 -2.844 23.074 31.423 1.00 39.03 H new ATOM 0 HG3 GLU A 54 -1.953 22.052 32.194 1.00 39.03 H new ATOM 428 N VAL A 55 -2.278 24.274 36.164 1.00 26.80 N ATOM 429 CA VAL A 55 -2.816 24.571 37.515 1.00 24.20 C ATOM 430 C VAL A 55 -1.783 25.332 38.331 1.00 24.54 C ATOM 431 O VAL A 55 -0.661 25.622 37.981 1.00 25.35 O ATOM 432 CB VAL A 55 -3.304 23.252 38.227 1.00 24.91 C ATOM 433 CG1 VAL A 55 -4.522 22.648 37.496 1.00 20.95 C ATOM 434 CG2 VAL A 55 -2.153 22.294 38.301 1.00 19.52 C ATOM 0 H VAL A 55 -1.527 23.858 36.123 1.00 26.80 H new ATOM 0 HA VAL A 55 -3.596 25.142 37.432 1.00 24.20 H new ATOM 0 HB VAL A 55 -3.601 23.451 39.129 1.00 24.91 H new ATOM 0 HG11 VAL A 55 -4.804 21.839 37.951 1.00 20.95 H new ATOM 0 HG12 VAL A 55 -5.250 23.289 37.496 1.00 20.95 H new ATOM 0 HG13 VAL A 55 -4.278 22.436 36.581 1.00 20.95 H new ATOM 0 HG21 VAL A 55 -2.440 21.477 38.738 1.00 19.52 H new ATOM 0 HG22 VAL A 55 -1.843 22.090 37.405 1.00 19.52 H new ATOM 0 HG23 VAL A 55 -1.430 22.695 38.809 1.00 19.52 H new ATOM 435 N ILE A 56 -2.238 25.940 39.504 1.00 26.14 N ATOM 436 CA ILE A 56 -1.379 26.725 40.301 1.00 24.78 C ATOM 437 C ILE A 56 -0.141 25.939 40.713 1.00 32.96 C ATOM 438 O ILE A 56 -0.170 24.717 40.675 1.00 25.86 O ATOM 439 CB ILE A 56 -2.167 27.233 41.583 1.00 24.80 C ATOM 440 CG1 ILE A 56 -2.707 26.011 42.338 1.00 22.45 C ATOM 441 CG2 ILE A 56 -3.233 28.368 41.172 1.00 23.26 C ATOM 442 CD1 ILE A 56 -3.382 26.616 43.652 1.00 20.47 C ATOM 0 H ILE A 56 -3.042 25.875 39.801 1.00 26.14 H new ATOM 0 HA ILE A 56 -1.082 27.488 39.781 1.00 24.78 H new ATOM 0 HB ILE A 56 -1.592 27.690 42.217 1.00 24.80 H new ATOM 0 HG12 ILE A 56 -3.352 25.522 41.803 1.00 22.45 H new ATOM 0 HG13 ILE A 56 -1.995 25.391 42.561 1.00 22.45 H new ATOM 0 HG21 ILE A 56 -3.707 28.669 41.963 1.00 23.26 H new ATOM 0 HG22 ILE A 56 -2.768 29.118 40.769 1.00 23.26 H new ATOM 0 HG23 ILE A 56 -3.867 28.002 40.536 1.00 23.26 H new ATOM 0 HD11 ILE A 56 -3.751 25.896 44.187 1.00 20.47 H new ATOM 0 HD12 ILE A 56 -2.714 27.093 44.169 1.00 20.47 H new ATOM 0 HD13 ILE A 56 -4.092 27.227 43.399 1.00 20.47 H new ATOM 443 N ARG A 57 0.985 26.639 41.210 1.00 24.62 N ATOM 444 CA ARG A 57 2.214 25.907 41.301 1.00 23.54 C ATOM 445 C ARG A 57 2.238 24.887 42.493 1.00 21.18 C ATOM 446 O ARG A 57 2.848 23.805 42.413 1.00 25.34 O ATOM 447 CB ARG A 57 3.284 26.989 41.619 1.00 31.48 C ATOM 448 CG ARG A 57 4.692 26.383 41.763 1.00 38.10 C ATOM 449 CD ARG A 57 5.625 27.586 42.161 1.00 43.58 C ATOM 450 NE ARG A 57 6.964 27.020 42.190 1.00 54.26 N ATOM 451 CZ ARG A 57 8.088 27.708 42.232 1.00 62.41 C ATOM 452 NH1 ARG A 57 8.077 29.036 42.281 1.00 48.28 N ATOM 453 NH2 ARG A 57 9.193 26.960 42.224 1.00 63.43 N ATOM 0 H ARG A 57 1.005 27.461 41.463 1.00 24.62 H new ATOM 0 HA ARG A 57 2.353 25.402 40.484 1.00 23.54 H new ATOM 0 HB2 ARG A 57 3.290 27.654 40.913 1.00 31.48 H new ATOM 0 HB3 ARG A 57 3.045 27.448 42.439 1.00 31.48 H new ATOM 0 HG2 ARG A 57 4.707 25.690 42.441 1.00 38.10 H new ATOM 0 HG3 ARG A 57 4.983 25.974 40.933 1.00 38.10 H new ATOM 0 HD2 ARG A 57 5.562 28.309 41.517 1.00 43.58 H new ATOM 0 HD3 ARG A 57 5.378 27.953 43.025 1.00 43.58 H new ATOM 0 HE ARG A 57 7.028 26.162 42.179 1.00 54.26 H new ATOM 0 HH11 ARG A 57 7.329 29.460 42.286 1.00 48.28 H new ATOM 0 HH12 ARG A 57 8.818 29.471 42.308 1.00 48.28 H new ATOM 0 HH21 ARG A 57 9.132 26.103 42.193 1.00 63.43 H new ATOM 0 HH22 ARG A 57 9.966 27.335 42.249 1.00 63.43 H new ATOM 454 N GLY A 58 1.419 25.230 43.502 1.00 24.40 N ATOM 455 CA GLY A 58 1.195 24.235 44.590 1.00 30.26 C ATOM 456 C GLY A 58 0.658 22.893 44.094 1.00 31.26 C ATOM 457 O GLY A 58 1.013 21.821 44.708 1.00 26.08 O ATOM 0 H GLY A 58 1.005 25.980 43.582 1.00 24.40 H new ATOM 0 HA2 GLY A 58 2.031 24.086 45.059 1.00 30.26 H new ATOM 0 HA3 GLY A 58 0.571 24.606 45.233 1.00 30.26 H new ATOM 458 N TRP A 59 -0.265 22.987 43.180 1.00 24.62 N ATOM 459 CA TRP A 59 -0.768 21.589 42.663 1.00 25.91 C ATOM 460 C TRP A 59 0.240 20.968 41.807 1.00 20.60 C ATOM 461 O TRP A 59 0.486 19.784 41.796 1.00 22.50 O ATOM 462 CB TRP A 59 -2.055 21.820 41.916 1.00 20.54 C ATOM 463 CG TRP A 59 -3.328 21.854 42.663 1.00 20.96 C ATOM 464 CD1 TRP A 59 -3.713 22.591 43.797 1.00 24.22 C ATOM 465 CD2 TRP A 59 -4.443 20.960 42.392 1.00 20.16 C ATOM 466 NE1 TRP A 59 -4.932 22.163 44.198 1.00 23.70 N ATOM 467 CE2 TRP A 59 -5.428 21.162 43.433 1.00 21.49 C ATOM 468 CE3 TRP A 59 -4.640 19.932 41.427 1.00 17.75 C ATOM 469 CZ2 TRP A 59 -6.592 20.520 43.437 1.00 19.50 C ATOM 470 CZ3 TRP A 59 -5.843 19.280 41.472 1.00 18.09 C ATOM 471 CH2 TRP A 59 -6.840 19.559 42.419 1.00 18.69 C ATOM 0 H TRP A 59 -0.613 23.698 42.844 1.00 24.62 H new ATOM 0 HA TRP A 59 -0.921 20.982 43.404 1.00 25.91 H new ATOM 0 HB2 TRP A 59 -1.971 22.664 41.445 1.00 20.54 H new ATOM 0 HB3 TRP A 59 -2.130 21.125 41.243 1.00 20.54 H new ATOM 0 HD1 TRP A 59 -3.213 23.261 44.204 1.00 24.22 H new ATOM 0 HE1 TRP A 59 -5.351 22.494 44.872 1.00 23.70 H new ATOM 0 HE3 TRP A 59 -3.988 19.715 40.801 1.00 17.75 H new ATOM 0 HZ2 TRP A 59 -7.230 20.695 44.091 1.00 19.50 H new ATOM 0 HZ3 TRP A 59 -6.008 18.617 40.841 1.00 18.09 H new ATOM 0 HH2 TRP A 59 -7.658 19.118 42.381 1.00 18.69 H new ATOM 472 N GLU A 60 0.902 21.726 40.889 1.00 25.20 N ATOM 473 CA GLU A 60 1.932 21.183 40.031 1.00 23.44 C ATOM 474 C GLU A 60 3.023 20.504 40.782 1.00 26.09 C ATOM 475 O GLU A 60 3.324 19.294 40.526 1.00 23.07 O ATOM 476 CB GLU A 60 2.494 22.388 39.209 1.00 38.13 C ATOM 477 CG GLU A 60 2.875 22.060 37.837 1.00 53.39 C ATOM 478 CD GLU A 60 1.826 21.884 36.767 1.00 41.93 C ATOM 479 OE1 GLU A 60 0.870 22.551 36.380 1.00 41.78 O ATOM 480 OE2 GLU A 60 2.070 20.785 36.379 1.00 47.24 O ATOM 0 H GLU A 60 0.749 22.563 40.766 1.00 25.20 H new ATOM 0 HA GLU A 60 1.553 20.496 39.461 1.00 23.44 H new ATOM 0 HB2 GLU A 60 1.825 23.090 39.188 1.00 38.13 H new ATOM 0 HB3 GLU A 60 3.268 22.747 39.671 1.00 38.13 H new ATOM 0 HG2 GLU A 60 3.478 22.757 37.534 1.00 53.39 H new ATOM 0 HG3 GLU A 60 3.388 21.237 37.872 1.00 53.39 H new ATOM 481 N GLU A 61 3.434 21.194 41.875 1.00 29.21 N ATOM 482 CA GLU A 61 4.506 20.442 42.669 1.00 31.07 C ATOM 483 C GLU A 61 3.909 19.458 43.644 1.00 32.71 C ATOM 484 O GLU A 61 4.548 18.404 43.936 1.00 27.82 O ATOM 485 CB GLU A 61 5.375 21.501 43.264 1.00 30.96 C ATOM 486 CG GLU A 61 6.509 22.061 42.388 1.00 45.90 C ATOM 487 CD GLU A 61 7.244 23.183 43.098 1.00 54.54 C ATOM 488 OE1 GLU A 61 7.330 23.058 44.346 1.00 41.22 O ATOM 489 OE2 GLU A 61 7.641 24.130 42.352 1.00 54.84 O ATOM 0 H GLU A 61 3.173 21.964 42.155 1.00 29.21 H new ATOM 0 HA GLU A 61 5.050 19.863 42.112 1.00 31.07 H new ATOM 0 HB2 GLU A 61 4.807 22.241 43.528 1.00 30.96 H new ATOM 0 HB3 GLU A 61 5.771 21.144 44.074 1.00 30.96 H new ATOM 0 HG2 GLU A 61 7.132 21.351 42.167 1.00 45.90 H new ATOM 0 HG3 GLU A 61 6.144 22.388 41.551 1.00 45.90 H new ATOM 490 N GLY A 62 2.726 19.828 44.210 1.00 29.51 N ATOM 491 CA GLY A 62 2.084 18.876 45.106 1.00 29.23 C ATOM 492 C GLY A 62 1.613 17.527 44.635 1.00 26.37 C ATOM 493 O GLY A 62 1.894 16.421 45.120 1.00 26.63 O ATOM 0 H GLY A 62 2.318 20.575 44.089 1.00 29.51 H new ATOM 0 HA2 GLY A 62 2.704 18.717 45.835 1.00 29.23 H new ATOM 0 HA3 GLY A 62 1.312 19.325 45.484 1.00 29.23 H new ATOM 494 N VAL A 63 0.751 17.566 43.556 1.00 23.32 N ATOM 495 CA VAL A 63 0.174 16.376 42.985 1.00 22.25 C ATOM 496 C VAL A 63 1.228 15.514 42.253 1.00 22.37 C ATOM 497 O VAL A 63 1.138 14.286 42.310 1.00 24.65 O ATOM 498 CB VAL A 63 -0.934 16.742 42.001 1.00 23.30 C ATOM 499 CG1 VAL A 63 -1.555 15.489 41.393 1.00 23.06 C ATOM 500 CG2 VAL A 63 -1.990 17.588 42.701 1.00 21.52 C ATOM 0 H VAL A 63 0.511 18.294 43.166 1.00 23.32 H new ATOM 0 HA VAL A 63 -0.189 15.858 43.720 1.00 22.25 H new ATOM 0 HB VAL A 63 -0.550 17.261 41.277 1.00 23.30 H new ATOM 0 HG11 VAL A 63 -2.255 15.743 40.772 1.00 23.06 H new ATOM 0 HG12 VAL A 63 -0.873 14.985 40.922 1.00 23.06 H new ATOM 0 HG13 VAL A 63 -1.932 14.940 42.098 1.00 23.06 H new ATOM 0 HG21 VAL A 63 -2.691 17.817 42.071 1.00 21.52 H new ATOM 0 HG22 VAL A 63 -2.370 17.086 43.439 1.00 21.52 H new ATOM 0 HG23 VAL A 63 -1.582 18.400 43.040 1.00 21.52 H new ATOM 501 N ALA A 64 2.312 16.058 41.711 1.00 24.93 N ATOM 502 CA ALA A 64 3.364 15.325 41.068 1.00 37.21 C ATOM 503 C ALA A 64 4.042 14.324 42.018 1.00 34.53 C ATOM 504 O ALA A 64 4.509 13.205 41.740 1.00 30.37 O ATOM 505 CB ALA A 64 4.474 16.247 40.565 1.00 31.89 C ATOM 0 H ALA A 64 2.450 16.907 41.714 1.00 24.93 H new ATOM 0 HA ALA A 64 2.931 14.863 40.333 1.00 37.21 H new ATOM 0 HB1 ALA A 64 5.166 15.718 40.137 1.00 31.89 H new ATOM 0 HB2 ALA A 64 4.107 16.876 39.925 1.00 31.89 H new ATOM 0 HB3 ALA A 64 4.855 16.733 41.313 1.00 31.89 H new ATOM 506 N GLN A 65 4.050 14.755 43.280 1.00 27.45 N ATOM 507 CA GLN A 65 4.648 13.935 44.324 1.00 35.97 C ATOM 508 C GLN A 65 3.669 12.869 44.840 1.00 37.47 C ATOM 509 O GLN A 65 4.116 12.125 45.699 1.00 32.45 O ATOM 510 CB GLN A 65 5.119 14.647 45.560 1.00 33.06 C ATOM 511 CG GLN A 65 6.172 15.762 45.318 1.00 46.91 C ATOM 512 CD GLN A 65 6.060 16.631 46.593 1.00 57.18 C ATOM 513 OE1 GLN A 65 6.185 16.064 47.668 1.00 48.87 O ATOM 514 NE2 GLN A 65 5.774 17.910 46.397 1.00 52.40 N ATOM 0 H GLN A 65 3.721 15.504 43.545 1.00 27.45 H new ATOM 0 HA GLN A 65 5.420 13.574 43.860 1.00 35.97 H new ATOM 0 HB2 GLN A 65 4.350 15.038 46.003 1.00 33.06 H new ATOM 0 HB3 GLN A 65 5.495 13.993 46.169 1.00 33.06 H new ATOM 0 HG2 GLN A 65 7.064 15.396 45.210 1.00 46.91 H new ATOM 0 HG3 GLN A 65 5.976 16.273 44.517 1.00 46.91 H new ATOM 0 HE21 GLN A 65 5.707 18.218 45.597 1.00 52.40 H new ATOM 0 HE22 GLN A 65 5.656 18.432 47.070 1.00 52.40 H new ATOM 515 N MET A 66 2.431 12.757 44.434 1.00 26.54 N ATOM 516 CA MET A 66 1.465 11.836 44.995 1.00 24.05 C ATOM 517 C MET A 66 1.428 10.545 44.177 1.00 25.69 C ATOM 518 O MET A 66 1.729 10.670 42.994 1.00 26.40 O ATOM 519 CB MET A 66 0.042 12.488 44.829 1.00 22.28 C ATOM 520 CG MET A 66 -0.114 13.533 45.987 1.00 22.65 C ATOM 521 SD MET A 66 -1.698 14.384 45.965 1.00 21.04 S ATOM 522 CE MET A 66 -2.900 13.088 46.438 1.00 20.40 C ATOM 0 H MET A 66 2.109 13.235 43.795 1.00 26.54 H new ATOM 0 HA MET A 66 1.699 11.651 45.918 1.00 24.05 H new ATOM 0 HB2 MET A 66 -0.041 12.918 43.964 1.00 22.28 H new ATOM 0 HB3 MET A 66 -0.653 11.814 44.878 1.00 22.28 H new ATOM 0 HG2 MET A 66 -0.008 13.081 46.839 1.00 22.65 H new ATOM 0 HG3 MET A 66 0.599 14.187 45.922 1.00 22.65 H new ATOM 0 HE1 MET A 66 -3.632 13.078 45.802 1.00 20.40 H new ATOM 0 HE2 MET A 66 -2.461 12.223 46.438 1.00 20.40 H new ATOM 0 HE3 MET A 66 -3.245 13.275 47.325 1.00 20.40 H new ATOM 523 N SER A 67 1.053 9.412 44.840 1.00 28.71 N ATOM 524 CA SER A 67 0.962 8.171 44.055 1.00 31.57 C ATOM 525 C SER A 67 -0.530 7.775 43.987 1.00 32.36 C ATOM 526 O SER A 67 -1.297 8.226 44.812 1.00 25.35 O ATOM 527 CB SER A 67 1.713 7.040 44.655 1.00 32.27 C ATOM 528 OG SER A 67 1.515 6.893 46.067 1.00 28.04 O ATOM 0 H SER A 67 0.864 9.352 45.677 1.00 28.71 H new ATOM 0 HA SER A 67 1.350 8.342 43.183 1.00 31.57 H new ATOM 0 HB2 SER A 67 1.449 6.218 44.213 1.00 32.27 H new ATOM 0 HB3 SER A 67 2.659 7.164 44.482 1.00 32.27 H new ATOM 0 HG SER A 67 0.804 7.279 46.292 1.00 28.04 H new ATOM 529 N VAL A 68 -0.911 7.042 42.902 1.00 28.63 N ATOM 530 CA VAL A 68 -2.295 6.663 42.767 1.00 29.73 C ATOM 531 C VAL A 68 -2.859 6.040 44.066 1.00 35.71 C ATOM 532 O VAL A 68 -2.282 5.176 44.703 1.00 29.82 O ATOM 533 CB VAL A 68 -2.592 5.665 41.640 1.00 31.31 C ATOM 534 CG1 VAL A 68 -4.069 5.367 41.532 1.00 27.64 C ATOM 535 CG2 VAL A 68 -1.914 6.144 40.365 1.00 31.94 C ATOM 0 H VAL A 68 -0.389 6.777 42.272 1.00 28.63 H new ATOM 0 HA VAL A 68 -2.724 7.507 42.555 1.00 29.73 H new ATOM 0 HB VAL A 68 -2.209 4.796 41.838 1.00 31.31 H new ATOM 0 HG11 VAL A 68 -4.220 4.735 40.812 1.00 27.64 H new ATOM 0 HG12 VAL A 68 -4.385 4.987 42.367 1.00 27.64 H new ATOM 0 HG13 VAL A 68 -4.552 6.188 41.348 1.00 27.64 H new ATOM 0 HG21 VAL A 68 -2.097 5.518 39.647 1.00 31.94 H new ATOM 0 HG22 VAL A 68 -2.256 7.020 40.126 1.00 31.94 H new ATOM 0 HG23 VAL A 68 -0.956 6.200 40.509 1.00 31.94 H new ATOM 536 N GLY A 69 -4.072 6.443 44.414 1.00 29.87 N ATOM 537 CA GLY A 69 -4.758 6.111 45.621 1.00 36.29 C ATOM 538 C GLY A 69 -4.447 6.960 46.850 1.00 26.33 C ATOM 539 O GLY A 69 -5.132 6.823 47.840 1.00 29.06 O ATOM 0 H GLY A 69 -4.539 6.955 43.905 1.00 29.87 H new ATOM 0 HA2 GLY A 69 -5.711 6.165 45.451 1.00 36.29 H new ATOM 0 HA3 GLY A 69 -4.560 5.186 45.836 1.00 36.29 H new ATOM 540 N GLN A 70 -3.416 7.798 46.761 1.00 27.51 N ATOM 541 CA GLN A 70 -3.045 8.627 47.970 1.00 25.15 C ATOM 542 C GLN A 70 -4.075 9.782 48.044 1.00 28.78 C ATOM 543 O GLN A 70 -4.663 10.304 47.080 1.00 26.18 O ATOM 544 CB GLN A 70 -1.619 9.208 47.781 1.00 22.73 C ATOM 545 CG GLN A 70 -1.112 9.929 49.035 1.00 26.50 C ATOM 546 CD GLN A 70 0.293 10.504 48.773 1.00 27.94 C ATOM 547 OE1 GLN A 70 0.820 10.302 47.702 1.00 28.19 O ATOM 548 NE2 GLN A 70 0.897 11.190 49.786 1.00 23.50 N ATOM 0 H GLN A 70 -2.928 7.916 46.063 1.00 27.51 H new ATOM 0 HA GLN A 70 -3.053 8.096 48.782 1.00 25.15 H new ATOM 0 HB2 GLN A 70 -1.007 8.490 47.554 1.00 22.73 H new ATOM 0 HB3 GLN A 70 -1.621 9.826 47.034 1.00 22.73 H new ATOM 0 HG2 GLN A 70 -1.723 10.643 49.277 1.00 26.50 H new ATOM 0 HG3 GLN A 70 -1.084 9.313 49.784 1.00 26.50 H new ATOM 0 HE21 GLN A 70 0.484 11.309 50.531 1.00 23.50 H new ATOM 0 HE22 GLN A 70 1.691 11.503 49.680 1.00 23.50 H new ATOM 549 N ARG A 71 -4.366 10.125 49.269 1.00 26.20 N ATOM 550 CA ARG A 71 -5.159 11.321 49.571 1.00 26.90 C ATOM 551 C ARG A 71 -4.304 12.157 50.571 1.00 26.97 C ATOM 552 O ARG A 71 -3.618 11.686 51.485 1.00 24.34 O ATOM 553 CB ARG A 71 -6.516 10.834 50.152 1.00 29.68 C ATOM 554 CG ARG A 71 -7.496 11.972 50.401 1.00 33.60 C ATOM 555 CD ARG A 71 -8.905 11.464 50.842 1.00 29.93 C ATOM 556 NE ARG A 71 -9.743 12.619 51.283 1.00 32.17 N ATOM 557 CZ ARG A 71 -11.054 12.570 51.407 1.00 36.86 C ATOM 558 NH1 ARG A 71 -11.785 11.423 51.239 1.00 34.80 N ATOM 559 NH2 ARG A 71 -11.786 13.629 51.751 1.00 28.08 N ATOM 0 H ARG A 71 -4.117 9.681 49.962 1.00 26.20 H new ATOM 0 HA ARG A 71 -5.363 11.881 48.806 1.00 26.90 H new ATOM 0 HB2 ARG A 71 -6.916 10.198 49.539 1.00 29.68 H new ATOM 0 HB3 ARG A 71 -6.356 10.363 50.985 1.00 29.68 H new ATOM 0 HG2 ARG A 71 -7.138 12.559 51.086 1.00 33.60 H new ATOM 0 HG3 ARG A 71 -7.585 12.501 49.593 1.00 33.60 H new ATOM 0 HD2 ARG A 71 -9.337 11.003 50.106 1.00 29.93 H new ATOM 0 HD3 ARG A 71 -8.816 10.824 51.565 1.00 29.93 H new ATOM 0 HE ARG A 71 -9.347 13.360 51.467 1.00 32.17 H new ATOM 0 HH11 ARG A 71 -11.389 10.686 51.042 1.00 34.80 H new ATOM 0 HH12 ARG A 71 -12.640 11.441 51.330 1.00 34.80 H new ATOM 0 HH21 ARG A 71 -11.404 14.385 51.902 1.00 28.08 H new ATOM 0 HH22 ARG A 71 -12.640 13.557 51.822 1.00 28.08 H new ATOM 560 N ALA A 72 -4.172 13.494 50.291 1.00 23.01 N ATOM 561 CA ALA A 72 -3.215 14.312 50.983 1.00 27.46 C ATOM 562 C ALA A 72 -3.797 15.718 51.174 1.00 25.91 C ATOM 563 O ALA A 72 -4.704 16.170 50.443 1.00 23.83 O ATOM 564 CB ALA A 72 -1.832 14.486 50.326 1.00 27.56 C ATOM 0 H ALA A 72 -4.640 13.912 49.702 1.00 23.01 H new ATOM 0 HA ALA A 72 -3.059 13.827 51.808 1.00 27.46 H new ATOM 0 HB1 ALA A 72 -1.278 15.055 50.883 1.00 27.56 H new ATOM 0 HB2 ALA A 72 -1.409 13.619 50.228 1.00 27.56 H new ATOM 0 HB3 ALA A 72 -1.938 14.894 49.452 1.00 27.56 H new ATOM 565 N LYS A 73 -3.237 16.397 52.133 1.00 19.29 N ATOM 566 CA LYS A 73 -3.626 17.760 52.447 1.00 22.78 C ATOM 567 C LYS A 73 -2.423 18.635 51.933 1.00 22.30 C ATOM 568 O LYS A 73 -1.228 18.464 52.285 1.00 23.17 O ATOM 569 CB LYS A 73 -3.823 18.068 53.907 1.00 26.42 C ATOM 570 CG LYS A 73 -3.617 19.494 54.303 1.00 28.13 C ATOM 571 CD LYS A 73 -3.371 19.518 55.833 1.00 36.98 C ATOM 572 CE LYS A 73 -4.673 20.057 56.164 1.00 46.62 C ATOM 573 NZ LYS A 73 -4.279 21.088 57.257 1.00 55.72 N ATOM 0 H LYS A 73 -2.611 16.086 52.634 1.00 19.29 H new ATOM 0 HA LYS A 73 -4.489 17.931 52.038 1.00 22.78 H new ATOM 0 HB2 LYS A 73 -4.723 17.807 54.157 1.00 26.42 H new ATOM 0 HB3 LYS A 73 -3.214 17.516 54.422 1.00 26.42 H new ATOM 0 HG2 LYS A 73 -2.861 19.874 53.829 1.00 28.13 H new ATOM 0 HG3 LYS A 73 -4.393 20.028 54.073 1.00 28.13 H new ATOM 0 HD2 LYS A 73 -3.204 18.642 56.214 1.00 36.98 H new ATOM 0 HD3 LYS A 73 -2.634 20.089 56.100 1.00 36.98 H new ATOM 0 HE2 LYS A 73 -5.105 20.473 55.402 1.00 46.62 H new ATOM 0 HE3 LYS A 73 -5.280 19.378 56.498 1.00 46.62 H new ATOM 0 HZ1 LYS A 73 -5.011 21.491 57.563 1.00 55.72 H new ATOM 0 HZ2 LYS A 73 -3.869 20.669 57.927 1.00 55.72 H new ATOM 0 HZ3 LYS A 73 -3.731 21.696 56.908 1.00 55.72 H new ATOM 574 N LEU A 74 -2.818 19.467 51.017 1.00 22.16 N ATOM 575 CA LEU A 74 -1.734 20.374 50.419 1.00 23.47 C ATOM 576 C LEU A 74 -1.904 21.749 51.012 1.00 26.25 C ATOM 577 O LEU A 74 -2.994 22.290 50.845 1.00 21.48 O ATOM 578 CB LEU A 74 -2.013 20.447 48.946 1.00 23.17 C ATOM 579 CG LEU A 74 -1.407 19.283 48.163 1.00 24.31 C ATOM 580 CD1 LEU A 74 -2.016 17.933 48.481 1.00 28.07 C ATOM 581 CD2 LEU A 74 -1.715 19.642 46.587 1.00 25.24 C ATOM 0 H LEU A 74 -3.618 19.560 50.715 1.00 22.16 H new ATOM 0 HA LEU A 74 -0.839 20.044 50.596 1.00 23.47 H new ATOM 0 HB2 LEU A 74 -2.972 20.460 48.804 1.00 23.17 H new ATOM 0 HB3 LEU A 74 -1.663 21.282 48.597 1.00 23.17 H new ATOM 0 HG LEU A 74 -0.467 19.198 48.388 1.00 24.31 H new ATOM 0 HD11 LEU A 74 -1.582 17.248 47.948 1.00 28.07 H new ATOM 0 HD12 LEU A 74 -1.892 17.736 49.423 1.00 28.07 H new ATOM 0 HD13 LEU A 74 -2.964 17.949 48.276 1.00 28.07 H new ATOM 0 HD21 LEU A 74 -1.357 18.942 46.019 1.00 25.24 H new ATOM 0 HD22 LEU A 74 -2.673 19.709 46.451 1.00 25.24 H new ATOM 0 HD23 LEU A 74 -1.297 20.487 46.360 1.00 25.24 H new ATOM 582 N THR A 75 -0.857 22.266 51.678 1.00 25.93 N ATOM 583 CA THR A 75 -1.089 23.576 52.278 1.00 23.31 C ATOM 584 C THR A 75 -0.206 24.492 51.465 1.00 24.79 C ATOM 585 O THR A 75 1.012 24.218 51.405 1.00 26.51 O ATOM 586 CB THR A 75 -0.497 23.622 53.807 1.00 25.24 C ATOM 587 OG1 THR A 75 -1.464 22.925 54.522 1.00 22.61 O ATOM 588 CG2 THR A 75 -0.726 25.006 54.220 1.00 24.22 C ATOM 0 H THR A 75 -0.081 21.912 51.785 1.00 25.93 H new ATOM 0 HA THR A 75 -2.033 23.801 52.293 1.00 23.31 H new ATOM 0 HB THR A 75 0.415 23.308 53.909 1.00 25.24 H new ATOM 0 HG1 THR A 75 -1.244 22.116 54.575 1.00 22.61 H new ATOM 0 HG21 THR A 75 -0.403 25.131 55.126 1.00 24.22 H new ATOM 0 HG22 THR A 75 -0.252 25.605 53.622 1.00 24.22 H new ATOM 0 HG23 THR A 75 -1.676 25.201 54.186 1.00 24.22 H new ATOM 589 N ILE A 76 -0.879 25.438 50.781 1.00 27.17 N ATOM 590 CA ILE A 76 -0.151 26.184 49.739 1.00 24.66 C ATOM 591 C ILE A 76 -0.100 27.681 50.037 1.00 23.94 C ATOM 592 O ILE A 76 -1.112 28.354 50.206 1.00 28.14 O ATOM 593 CB ILE A 76 -0.932 25.983 48.337 1.00 28.29 C ATOM 594 CG1 ILE A 76 -1.098 24.488 48.030 1.00 26.80 C ATOM 595 CG2 ILE A 76 -0.088 26.639 47.217 1.00 26.69 C ATOM 596 CD1 ILE A 76 -2.023 24.237 46.723 1.00 25.24 C ATOM 0 H ILE A 76 -1.704 25.652 50.895 1.00 27.17 H new ATOM 0 HA ILE A 76 0.758 25.847 49.705 1.00 24.66 H new ATOM 0 HB ILE A 76 -1.811 26.390 48.391 1.00 28.29 H new ATOM 0 HG12 ILE A 76 -0.225 24.088 47.889 1.00 26.80 H new ATOM 0 HG13 ILE A 76 -1.494 24.043 48.796 1.00 26.80 H new ATOM 0 HG21 ILE A 76 -0.539 26.530 46.365 1.00 26.69 H new ATOM 0 HG22 ILE A 76 0.022 27.584 47.406 1.00 26.69 H new ATOM 0 HG23 ILE A 76 0.783 26.215 47.177 1.00 26.69 H new ATOM 0 HD11 ILE A 76 -2.104 23.284 46.562 1.00 25.24 H new ATOM 0 HD12 ILE A 76 -2.904 24.615 46.872 1.00 25.24 H new ATOM 0 HD13 ILE A 76 -1.616 24.661 45.952 1.00 25.24 H new ATOM 597 N SER A 77 1.169 28.159 50.033 1.00 32.12 N ATOM 598 CA SER A 77 1.307 29.567 50.476 1.00 41.37 C ATOM 599 C SER A 77 0.888 30.411 49.297 1.00 39.04 C ATOM 600 O SER A 77 0.662 29.913 48.185 1.00 31.82 O ATOM 601 CB SER A 77 2.763 29.717 50.847 1.00 46.68 C ATOM 602 OG SER A 77 3.545 29.507 49.683 1.00 44.90 O ATOM 0 H SER A 77 1.885 27.740 49.806 1.00 32.12 H new ATOM 0 HA SER A 77 0.766 29.832 51.236 1.00 41.37 H new ATOM 0 HB2 SER A 77 2.929 30.601 51.211 1.00 46.68 H new ATOM 0 HB3 SER A 77 3.004 29.077 51.535 1.00 46.68 H new ATOM 0 HG SER A 77 4.359 29.589 49.874 1.00 44.90 H new ATOM 603 N PRO A 78 0.622 31.703 49.521 1.00 41.58 N ATOM 604 CA PRO A 78 0.035 32.562 48.493 1.00 41.94 C ATOM 605 C PRO A 78 0.921 32.618 47.234 1.00 39.21 C ATOM 606 O PRO A 78 0.386 32.600 46.121 1.00 37.29 O ATOM 607 CB PRO A 78 -0.089 33.919 49.129 1.00 34.73 C ATOM 608 CG PRO A 78 0.052 33.674 50.584 1.00 40.46 C ATOM 609 CD PRO A 78 0.867 32.418 50.781 1.00 46.70 C ATOM 0 HA PRO A 78 -0.825 32.224 48.196 1.00 41.94 H new ATOM 0 HB2 PRO A 78 0.598 34.523 48.806 1.00 34.73 H new ATOM 0 HB3 PRO A 78 -0.945 34.327 48.923 1.00 34.73 H new ATOM 0 HG2 PRO A 78 0.486 34.428 51.012 1.00 40.46 H new ATOM 0 HG3 PRO A 78 -0.821 33.578 50.996 1.00 40.46 H new ATOM 0 HD2 PRO A 78 1.808 32.612 50.913 1.00 46.70 H new ATOM 0 HD3 PRO A 78 0.571 31.909 51.552 1.00 46.70 H new ATOM 610 N ASP A 79 2.238 32.517 47.401 1.00 31.90 N ATOM 611 CA ASP A 79 3.157 32.625 46.277 1.00 44.73 C ATOM 612 C ASP A 79 3.009 31.368 45.433 1.00 38.29 C ATOM 613 O ASP A 79 3.461 31.386 44.296 1.00 33.45 O ATOM 614 CB ASP A 79 4.615 32.524 46.751 1.00 57.85 C ATOM 615 CG ASP A 79 5.363 33.827 46.860 1.00 72.27 C ATOM 616 OD1 ASP A 79 4.760 34.869 47.165 1.00 72.22 O ATOM 617 OD2 ASP A 79 6.601 33.805 46.641 1.00 77.91 O ATOM 0 H ASP A 79 2.618 32.385 48.161 1.00 31.90 H new ATOM 0 HA ASP A 79 2.966 33.460 45.822 1.00 44.73 H new ATOM 0 HB2 ASP A 79 4.625 32.091 47.619 1.00 57.85 H new ATOM 0 HB3 ASP A 79 5.096 31.945 46.140 1.00 57.85 H new ATOM 618 N TYR A 80 2.492 30.272 45.988 1.00 37.93 N ATOM 619 CA TYR A 80 2.293 29.095 45.078 1.00 38.95 C ATOM 620 C TYR A 80 0.837 28.954 44.667 1.00 31.08 C ATOM 621 O TYR A 80 0.428 27.897 44.178 1.00 30.16 O ATOM 622 CB TYR A 80 2.822 27.843 45.804 1.00 29.67 C ATOM 623 CG TYR A 80 4.336 27.603 45.768 1.00 41.85 C ATOM 624 CD1 TYR A 80 5.213 28.679 45.966 1.00 49.51 C ATOM 625 CD2 TYR A 80 4.892 26.376 45.503 1.00 35.55 C ATOM 626 CE1 TYR A 80 6.582 28.485 45.893 1.00 47.35 C ATOM 627 CE2 TYR A 80 6.216 26.130 45.423 1.00 36.09 C ATOM 628 CZ TYR A 80 7.049 27.228 45.633 1.00 49.29 C ATOM 629 OH TYR A 80 8.409 27.111 45.580 1.00 46.37 O ATOM 0 H TYR A 80 2.262 30.172 46.811 1.00 37.93 H new ATOM 0 HA TYR A 80 2.787 29.219 44.252 1.00 38.95 H new ATOM 0 HB2 TYR A 80 2.547 27.895 46.733 1.00 29.67 H new ATOM 0 HB3 TYR A 80 2.385 27.066 45.422 1.00 29.67 H new ATOM 0 HD1 TYR A 80 4.874 29.526 46.147 1.00 49.51 H new ATOM 0 HD2 TYR A 80 4.313 25.661 45.369 1.00 35.55 H new ATOM 0 HE1 TYR A 80 7.170 29.194 46.018 1.00 47.35 H new ATOM 0 HE2 TYR A 80 6.552 25.282 45.240 1.00 36.09 H new ATOM 0 HH TYR A 80 8.616 26.313 45.418 1.00 46.37 H new ATOM 630 N ALA A 81 -0.024 29.909 45.037 1.00 29.86 N ATOM 631 CA ALA A 81 -1.414 30.024 44.719 1.00 33.11 C ATOM 632 C ALA A 81 -1.794 31.307 43.950 1.00 32.64 C ATOM 633 O ALA A 81 -1.236 31.416 42.857 1.00 28.92 O ATOM 634 CB ALA A 81 -2.277 29.764 45.938 1.00 34.69 C ATOM 0 H ALA A 81 0.237 30.563 45.530 1.00 29.86 H new ATOM 0 HA ALA A 81 -1.604 29.321 44.078 1.00 33.11 H new ATOM 0 HB1 ALA A 81 -3.213 29.848 45.696 1.00 34.69 H new ATOM 0 HB2 ALA A 81 -2.108 28.868 46.269 1.00 34.69 H new ATOM 0 HB3 ALA A 81 -2.063 30.409 46.630 1.00 34.69 H new ATOM 635 N TYR A 82 -2.631 32.228 44.510 1.00 26.88 N ATOM 636 CA TYR A 82 -3.133 33.335 43.713 1.00 29.49 C ATOM 637 C TYR A 82 -2.524 34.743 44.093 1.00 33.68 C ATOM 638 O TYR A 82 -3.050 35.728 43.583 1.00 35.12 O ATOM 639 CB TYR A 82 -4.636 33.367 43.749 1.00 32.65 C ATOM 640 CG TYR A 82 -5.207 32.085 43.141 1.00 33.91 C ATOM 641 CD1 TYR A 82 -5.153 31.888 41.756 1.00 36.18 C ATOM 642 CD2 TYR A 82 -5.777 31.101 43.905 1.00 28.31 C ATOM 643 CE1 TYR A 82 -5.649 30.817 41.104 1.00 30.67 C ATOM 644 CE2 TYR A 82 -6.269 29.971 43.249 1.00 24.23 C ATOM 645 CZ TYR A 82 -6.205 29.787 41.880 1.00 30.84 C ATOM 646 OH TYR A 82 -6.739 28.633 41.317 1.00 27.54 O ATOM 0 H TYR A 82 -2.901 32.213 45.327 1.00 26.88 H new ATOM 0 HA TYR A 82 -2.833 33.167 42.806 1.00 29.49 H new ATOM 0 HB2 TYR A 82 -4.942 33.463 44.664 1.00 32.65 H new ATOM 0 HB3 TYR A 82 -4.961 34.138 43.259 1.00 32.65 H new ATOM 0 HD1 TYR A 82 -4.743 32.548 41.245 1.00 36.18 H new ATOM 0 HD2 TYR A 82 -5.834 31.183 44.830 1.00 28.31 H new ATOM 0 HE1 TYR A 82 -5.624 30.762 40.176 1.00 30.67 H new ATOM 0 HE2 TYR A 82 -6.663 29.303 43.763 1.00 24.23 H new ATOM 0 HH TYR A 82 -6.847 28.053 41.915 1.00 27.54 H new ATOM 647 N GLY A 83 -1.592 34.709 45.009 1.00 29.81 N ATOM 648 CA GLY A 83 -0.582 35.781 45.108 1.00 39.09 C ATOM 649 C GLY A 83 -1.242 36.982 45.792 1.00 44.44 C ATOM 650 O GLY A 83 -2.261 36.781 46.463 1.00 39.21 O ATOM 0 H GLY A 83 -1.509 34.083 45.593 1.00 29.81 H new ATOM 0 HA2 GLY A 83 0.186 35.479 45.618 1.00 39.09 H new ATOM 0 HA3 GLY A 83 -0.259 36.026 44.227 1.00 39.09 H new ATOM 651 N ALA A 84 -0.735 38.176 45.549 1.00 38.92 N ATOM 652 CA ALA A 84 -1.304 39.383 46.099 1.00 41.33 C ATOM 653 C ALA A 84 -2.690 39.651 45.557 1.00 41.06 C ATOM 654 O ALA A 84 -3.597 40.095 46.286 1.00 38.42 O ATOM 655 CB ALA A 84 -0.264 40.487 45.826 1.00 53.22 C ATOM 0 H ALA A 84 -0.044 38.308 45.055 1.00 38.92 H new ATOM 0 HA ALA A 84 -1.463 39.323 47.054 1.00 41.33 H new ATOM 0 HB1 ALA A 84 -0.589 41.332 46.175 1.00 53.22 H new ATOM 0 HB2 ALA A 84 0.572 40.259 46.261 1.00 53.22 H new ATOM 0 HB3 ALA A 84 -0.119 40.566 44.870 1.00 53.22 H new ATOM 656 N THR A 85 -2.942 39.234 44.316 1.00 38.04 N ATOM 657 CA THR A 85 -4.224 39.517 43.684 1.00 47.25 C ATOM 658 C THR A 85 -5.367 38.617 44.137 1.00 43.78 C ATOM 659 O THR A 85 -6.502 39.132 44.239 1.00 37.10 O ATOM 660 CB THR A 85 -4.139 39.324 42.145 1.00 60.75 C ATOM 661 OG1 THR A 85 -3.017 40.087 41.717 1.00 62.97 O ATOM 662 CG2 THR A 85 -5.467 39.730 41.532 1.00 51.75 C ATOM 0 H THR A 85 -2.389 38.791 43.830 1.00 38.04 H new ATOM 0 HA THR A 85 -4.410 40.432 43.945 1.00 47.25 H new ATOM 0 HB THR A 85 -4.000 38.407 41.862 1.00 60.75 H new ATOM 0 HG1 THR A 85 -2.928 40.013 40.885 1.00 62.97 H new ATOM 0 HG21 THR A 85 -5.428 39.614 40.570 1.00 51.75 H new ATOM 0 HG22 THR A 85 -6.175 39.175 41.896 1.00 51.75 H new ATOM 0 HG23 THR A 85 -5.648 40.660 41.738 1.00 51.75 H new ATOM 663 N GLY A 86 -5.077 37.333 44.348 1.00 37.02 N ATOM 664 CA GLY A 86 -6.179 36.421 44.689 1.00 27.72 C ATOM 665 C GLY A 86 -6.985 36.243 43.393 1.00 35.72 C ATOM 666 O GLY A 86 -6.476 36.448 42.267 1.00 37.22 O ATOM 0 H GLY A 86 -4.294 36.980 44.303 1.00 37.02 H new ATOM 0 HA2 GLY A 86 -5.841 35.570 45.009 1.00 27.72 H new ATOM 0 HA3 GLY A 86 -6.732 36.791 45.395 1.00 27.72 H new ATOM 667 N HIS A 87 -8.237 35.841 43.668 1.00 31.65 N ATOM 668 CA HIS A 87 -9.214 35.655 42.576 1.00 34.70 C ATOM 669 C HIS A 87 -10.466 36.270 43.120 1.00 35.71 C ATOM 670 O HIS A 87 -11.349 35.923 43.889 1.00 28.10 O ATOM 671 CB HIS A 87 -9.112 34.132 42.212 1.00 38.79 C ATOM 672 CG HIS A 87 -10.062 33.788 41.122 1.00 39.90 C ATOM 673 ND1 HIS A 87 -11.406 33.709 41.019 1.00 55.28 N flip ATOM 674 CD2 HIS A 87 -9.649 33.483 39.851 1.00 42.73 C flip ATOM 675 CE1 HIS A 87 -11.763 33.356 39.728 1.00 48.46 C flip ATOM 676 NE2 HIS A 87 -10.644 33.242 39.052 1.00 52.13 N flip ATOM 0 H HIS A 87 -8.536 35.674 44.457 1.00 31.65 H new ATOM 0 HA HIS A 87 -9.105 36.085 41.713 1.00 34.70 H new ATOM 0 HB2 HIS A 87 -8.206 33.920 41.937 1.00 38.79 H new ATOM 0 HB3 HIS A 87 -9.303 33.594 42.996 1.00 38.79 H new ATOM 0 HD2 HIS A 87 -8.757 33.452 39.590 1.00 42.73 H new ATOM 0 HE1 HIS A 87 -12.625 33.226 39.404 1.00 48.46 H new ATOM 0 HE2 HIS A 87 -10.580 33.041 38.218 1.00 52.13 H new ATOM 677 N PRO A 88 -10.663 37.571 42.715 1.00 51.97 N ATOM 678 CA PRO A 88 -11.609 38.489 43.358 1.00 48.06 C ATOM 679 C PRO A 88 -13.025 38.047 43.557 1.00 32.63 C ATOM 680 O PRO A 88 -13.584 37.486 42.653 1.00 50.25 O ATOM 681 CB PRO A 88 -11.630 39.576 42.308 1.00 55.16 C ATOM 682 CG PRO A 88 -10.324 39.566 41.617 1.00 50.82 C ATOM 683 CD PRO A 88 -10.019 38.094 41.490 1.00 53.65 C ATOM 0 HA PRO A 88 -11.323 38.673 44.266 1.00 48.06 H new ATOM 0 HB2 PRO A 88 -12.350 39.423 41.676 1.00 55.16 H new ATOM 0 HB3 PRO A 88 -11.791 40.440 42.718 1.00 55.16 H new ATOM 0 HG2 PRO A 88 -10.373 39.999 40.750 1.00 50.82 H new ATOM 0 HG3 PRO A 88 -9.643 40.031 42.128 1.00 50.82 H new ATOM 0 HD2 PRO A 88 -10.395 37.709 40.683 1.00 53.65 H new ATOM 0 HD3 PRO A 88 -9.066 37.916 41.471 1.00 53.65 H new ATOM 684 N GLY A 89 -13.672 37.898 44.750 1.00 41.53 N ATOM 685 CA GLY A 89 -14.980 37.313 44.932 1.00 35.87 C ATOM 686 C GLY A 89 -14.870 35.853 45.429 1.00 38.84 C ATOM 687 O GLY A 89 -15.949 35.277 45.771 1.00 35.05 O ATOM 0 H GLY A 89 -13.321 38.156 45.492 1.00 41.53 H new ATOM 0 HA2 GLY A 89 -15.487 37.838 45.571 1.00 35.87 H new ATOM 0 HA3 GLY A 89 -15.468 37.337 44.094 1.00 35.87 H new ATOM 688 N ILE A 90 -13.667 35.267 45.375 1.00 33.48 N ATOM 689 CA ILE A 90 -13.585 33.841 45.770 1.00 40.44 C ATOM 690 C ILE A 90 -12.355 33.621 46.676 1.00 33.79 C ATOM 691 O ILE A 90 -12.551 32.951 47.687 1.00 35.24 O ATOM 692 CB ILE A 90 -13.422 32.877 44.578 1.00 40.60 C ATOM 693 CG1 ILE A 90 -14.628 32.970 43.641 1.00 42.35 C ATOM 694 CG2 ILE A 90 -13.379 31.370 45.028 1.00 31.21 C ATOM 695 CD1 ILE A 90 -14.278 32.304 42.322 1.00 49.21 C ATOM 0 H ILE A 90 -12.931 35.640 45.132 1.00 33.48 H new ATOM 0 HA ILE A 90 -14.424 33.649 46.218 1.00 40.44 H new ATOM 0 HB ILE A 90 -12.592 33.137 44.150 1.00 40.60 H new ATOM 0 HG12 ILE A 90 -15.398 32.537 44.041 1.00 42.35 H new ATOM 0 HG13 ILE A 90 -14.868 33.898 43.495 1.00 42.35 H new ATOM 0 HG21 ILE A 90 -13.276 30.802 44.248 1.00 31.21 H new ATOM 0 HG22 ILE A 90 -12.630 31.233 45.629 1.00 31.21 H new ATOM 0 HG23 ILE A 90 -14.205 31.145 45.485 1.00 31.21 H new ATOM 0 HD11 ILE A 90 -15.037 32.358 41.721 1.00 49.21 H new ATOM 0 HD12 ILE A 90 -13.517 32.755 41.923 1.00 49.21 H new ATOM 0 HD13 ILE A 90 -14.055 31.373 42.478 1.00 49.21 H new ATOM 696 N ILE A 91 -11.188 34.026 46.187 1.00 29.50 N ATOM 697 CA ILE A 91 -9.951 33.862 46.949 1.00 37.23 C ATOM 698 C ILE A 91 -9.384 35.264 47.307 1.00 39.28 C ATOM 699 O ILE A 91 -9.144 36.082 46.444 1.00 29.21 O ATOM 700 CB ILE A 91 -8.872 33.075 46.204 1.00 28.02 C ATOM 701 CG1 ILE A 91 -9.418 31.738 45.664 1.00 26.48 C ATOM 702 CG2 ILE A 91 -7.543 33.003 46.898 1.00 26.51 C ATOM 703 CD1 ILE A 91 -9.958 30.771 46.720 1.00 19.02 C ATOM 0 H ILE A 91 -11.089 34.398 45.418 1.00 29.50 H new ATOM 0 HA ILE A 91 -10.180 33.353 47.742 1.00 37.23 H new ATOM 0 HB ILE A 91 -8.644 33.599 45.420 1.00 28.02 H new ATOM 0 HG12 ILE A 91 -10.127 31.929 45.030 1.00 26.48 H new ATOM 0 HG13 ILE A 91 -8.710 31.293 45.172 1.00 26.48 H new ATOM 0 HG21 ILE A 91 -6.923 32.488 46.358 1.00 26.51 H new ATOM 0 HG22 ILE A 91 -7.194 33.899 47.024 1.00 26.51 H new ATOM 0 HG23 ILE A 91 -7.651 32.575 47.761 1.00 26.51 H new ATOM 0 HD11 ILE A 91 -10.277 29.964 46.287 1.00 19.02 H new ATOM 0 HD12 ILE A 91 -9.251 30.545 47.344 1.00 19.02 H new ATOM 0 HD13 ILE A 91 -10.689 31.191 47.200 1.00 19.02 H new ATOM 704 N PRO A 92 -9.270 35.610 48.607 1.00 39.70 N ATOM 705 CA PRO A 92 -8.791 36.905 48.959 1.00 36.52 C ATOM 706 C PRO A 92 -7.376 37.084 48.509 1.00 39.85 C ATOM 707 O PRO A 92 -6.584 36.161 48.358 1.00 32.96 O ATOM 708 CB PRO A 92 -8.764 36.893 50.538 1.00 38.86 C ATOM 709 CG PRO A 92 -9.795 35.850 50.866 1.00 48.84 C ATOM 710 CD PRO A 92 -9.862 34.817 49.712 1.00 43.47 C ATOM 0 HA PRO A 92 -9.339 37.601 48.564 1.00 36.52 H new ATOM 0 HB2 PRO A 92 -7.889 36.658 50.883 1.00 38.86 H new ATOM 0 HB3 PRO A 92 -8.993 37.759 50.911 1.00 38.86 H new ATOM 0 HG2 PRO A 92 -9.568 35.407 51.698 1.00 48.84 H new ATOM 0 HG3 PRO A 92 -10.662 36.266 50.993 1.00 48.84 H new ATOM 0 HD2 PRO A 92 -9.352 34.015 49.905 1.00 43.47 H new ATOM 0 HD3 PRO A 92 -10.770 34.537 49.520 1.00 43.47 H new ATOM 711 N PRO A 93 -6.858 38.319 48.576 1.00 43.33 N ATOM 712 CA PRO A 93 -5.397 38.562 48.523 1.00 46.67 C ATOM 713 C PRO A 93 -4.535 37.812 49.527 1.00 28.97 C ATOM 714 O PRO A 93 -5.026 37.611 50.646 1.00 45.72 O ATOM 715 CB PRO A 93 -5.336 40.076 48.766 1.00 45.17 C ATOM 716 CG PRO A 93 -6.645 40.481 48.059 1.00 47.38 C ATOM 717 CD PRO A 93 -7.618 39.554 48.837 1.00 42.35 C ATOM 0 HA PRO A 93 -5.026 38.239 47.687 1.00 46.67 H new ATOM 0 HB2 PRO A 93 -5.332 40.305 49.709 1.00 45.17 H new ATOM 0 HB3 PRO A 93 -4.552 40.489 48.370 1.00 45.17 H new ATOM 0 HG2 PRO A 93 -6.855 41.422 48.165 1.00 47.38 H new ATOM 0 HG3 PRO A 93 -6.631 40.299 47.106 1.00 47.38 H new ATOM 0 HD2 PRO A 93 -7.695 39.772 49.779 1.00 42.35 H new ATOM 0 HD3 PRO A 93 -8.518 39.542 48.475 1.00 42.35 H new ATOM 718 N HIS A 94 -3.300 37.456 49.184 1.00 31.38 N ATOM 719 CA HIS A 94 -2.329 36.760 49.986 1.00 40.12 C ATOM 720 C HIS A 94 -2.857 35.530 50.738 1.00 47.00 C ATOM 721 O HIS A 94 -2.423 35.262 51.876 1.00 40.55 O ATOM 722 CB HIS A 94 -1.879 37.812 51.022 1.00 49.00 C ATOM 723 CG HIS A 94 -1.276 38.994 50.285 1.00 43.24 C ATOM 724 ND1 HIS A 94 0.004 38.930 49.732 1.00 44.67 N ATOM 725 CD2 HIS A 94 -1.782 40.238 50.103 1.00 42.85 C ATOM 726 CE1 HIS A 94 0.226 40.146 49.231 1.00 49.27 C ATOM 727 NE2 HIS A 94 -0.806 40.985 49.465 1.00 41.97 N ATOM 0 H HIS A 94 -2.991 37.637 48.402 1.00 31.38 H new ATOM 0 HA HIS A 94 -1.633 36.411 49.408 1.00 40.12 H new ATOM 0 HB2 HIS A 94 -2.634 38.100 51.559 1.00 49.00 H new ATOM 0 HB3 HIS A 94 -1.229 37.428 51.631 1.00 49.00 H new ATOM 0 HD2 HIS A 94 -2.626 40.534 50.358 1.00 42.85 H new ATOM 0 HE1 HIS A 94 1.000 40.387 48.775 1.00 49.27 H new ATOM 0 HE2 HIS A 94 -0.849 41.819 49.259 1.00 41.97 H new ATOM 728 N ALA A 95 -3.597 34.663 50.028 1.00 38.51 N ATOM 729 CA ALA A 95 -4.384 33.688 50.800 1.00 36.61 C ATOM 730 C ALA A 95 -3.597 32.373 50.853 1.00 38.16 C ATOM 731 O ALA A 95 -3.248 31.957 49.767 1.00 33.98 O ATOM 732 CB ALA A 95 -5.746 33.285 50.252 1.00 36.29 C ATOM 0 H ALA A 95 -3.657 34.621 49.171 1.00 38.51 H new ATOM 0 HA ALA A 95 -4.536 34.144 51.643 1.00 36.61 H new ATOM 0 HB1 ALA A 95 -6.158 32.642 50.850 1.00 36.29 H new ATOM 0 HB2 ALA A 95 -6.312 34.070 50.182 1.00 36.29 H new ATOM 0 HB3 ALA A 95 -5.637 32.886 49.375 1.00 36.29 H new ATOM 733 N THR A 96 -3.387 31.797 52.042 1.00 29.32 N ATOM 734 CA THR A 96 -2.932 30.382 51.990 1.00 23.69 C ATOM 735 C THR A 96 -4.130 29.487 51.694 1.00 29.85 C ATOM 736 O THR A 96 -5.183 29.775 52.292 1.00 25.82 O ATOM 737 CB THR A 96 -2.350 30.038 53.422 1.00 31.71 C ATOM 738 OG1 THR A 96 -1.116 30.725 53.504 1.00 30.42 O ATOM 739 CG2 THR A 96 -2.154 28.576 53.734 1.00 28.15 C ATOM 0 H THR A 96 -3.486 32.154 52.818 1.00 29.32 H new ATOM 0 HA THR A 96 -2.263 30.246 51.301 1.00 23.69 H new ATOM 0 HB THR A 96 -3.005 30.313 54.082 1.00 31.71 H new ATOM 0 HG1 THR A 96 -0.762 30.577 54.251 1.00 30.42 H new ATOM 0 HG21 THR A 96 -1.796 28.481 54.630 1.00 28.15 H new ATOM 0 HG22 THR A 96 -3.006 28.116 53.676 1.00 28.15 H new ATOM 0 HG23 THR A 96 -1.534 28.189 53.096 1.00 28.15 H new ATOM 740 N LEU A 97 -3.958 28.538 50.777 1.00 25.69 N ATOM 741 CA LEU A 97 -5.058 27.635 50.484 1.00 27.81 C ATOM 742 C LEU A 97 -4.805 26.278 51.097 1.00 21.75 C ATOM 743 O LEU A 97 -3.645 25.868 51.066 1.00 25.65 O ATOM 744 CB LEU A 97 -5.248 27.538 48.943 1.00 22.95 C ATOM 745 CG LEU A 97 -5.494 28.975 48.277 1.00 27.63 C ATOM 746 CD1 LEU A 97 -5.896 28.668 46.826 1.00 24.76 C ATOM 747 CD2 LEU A 97 -6.622 29.632 49.021 1.00 25.14 C ATOM 0 H LEU A 97 -3.237 28.405 50.328 1.00 25.69 H new ATOM 0 HA LEU A 97 -5.876 27.981 50.874 1.00 27.81 H new ATOM 0 HB2 LEU A 97 -4.463 27.129 48.546 1.00 22.95 H new ATOM 0 HB3 LEU A 97 -6.000 26.958 48.747 1.00 22.95 H new ATOM 0 HG LEU A 97 -4.725 29.565 48.307 1.00 27.63 H new ATOM 0 HD11 LEU A 97 -6.063 29.499 46.354 1.00 24.76 H new ATOM 0 HD12 LEU A 97 -5.179 28.185 46.386 1.00 24.76 H new ATOM 0 HD13 LEU A 97 -6.700 28.126 46.821 1.00 24.76 H new ATOM 0 HD21 LEU A 97 -6.795 30.507 48.640 1.00 25.14 H new ATOM 0 HD22 LEU A 97 -7.420 29.085 48.949 1.00 25.14 H new ATOM 0 HD23 LEU A 97 -6.380 29.729 49.955 1.00 25.14 H new ATOM 748 N VAL A 98 -5.816 25.549 51.411 1.00 25.33 N ATOM 749 CA VAL A 98 -5.605 24.160 51.858 1.00 19.74 C ATOM 750 C VAL A 98 -6.502 23.305 50.946 1.00 22.26 C ATOM 751 O VAL A 98 -7.730 23.465 50.921 1.00 21.77 O ATOM 752 CB VAL A 98 -6.118 23.918 53.327 1.00 28.54 C ATOM 753 CG1 VAL A 98 -5.836 22.403 53.621 1.00 23.89 C ATOM 754 CG2 VAL A 98 -5.304 24.819 54.262 1.00 27.55 C ATOM 0 H VAL A 98 -6.636 25.806 51.384 1.00 25.33 H new ATOM 0 HA VAL A 98 -4.658 23.951 51.825 1.00 19.74 H new ATOM 0 HB VAL A 98 -7.058 24.121 53.450 1.00 28.54 H new ATOM 0 HG11 VAL A 98 -6.132 22.187 54.519 1.00 23.89 H new ATOM 0 HG12 VAL A 98 -6.317 21.854 52.982 1.00 23.89 H new ATOM 0 HG13 VAL A 98 -4.885 22.230 53.544 1.00 23.89 H new ATOM 0 HG21 VAL A 98 -5.601 24.689 55.176 1.00 27.55 H new ATOM 0 HG22 VAL A 98 -4.363 24.592 54.193 1.00 27.55 H new ATOM 0 HG23 VAL A 98 -5.432 25.747 54.010 1.00 27.55 H new ATOM 755 N PHE A 99 -5.867 22.426 50.154 1.00 19.08 N ATOM 756 CA PHE A 99 -6.667 21.485 49.469 1.00 21.26 C ATOM 757 C PHE A 99 -6.537 20.056 49.998 1.00 21.92 C ATOM 758 O PHE A 99 -5.420 19.588 50.177 1.00 26.12 O ATOM 759 CB PHE A 99 -6.164 21.422 47.958 1.00 18.03 C ATOM 760 CG PHE A 99 -6.584 22.630 47.214 1.00 17.58 C ATOM 761 CD1 PHE A 99 -5.754 23.710 47.253 1.00 24.44 C ATOM 762 CD2 PHE A 99 -7.706 22.574 46.327 1.00 20.51 C ATOM 763 CE1 PHE A 99 -6.089 24.849 46.357 1.00 28.89 C ATOM 764 CE2 PHE A 99 -8.021 23.745 45.579 1.00 21.39 C ATOM 765 CZ PHE A 99 -7.207 24.760 45.619 1.00 22.69 C ATOM 0 H PHE A 99 -5.018 22.379 50.022 1.00 19.08 H new ATOM 0 HA PHE A 99 -7.585 21.777 49.580 1.00 21.26 H new ATOM 0 HB2 PHE A 99 -5.197 21.344 47.937 1.00 18.03 H new ATOM 0 HB3 PHE A 99 -6.522 20.630 47.526 1.00 18.03 H new ATOM 0 HD1 PHE A 99 -5.012 23.734 47.814 1.00 24.44 H new ATOM 0 HD2 PHE A 99 -8.213 21.799 46.242 1.00 20.51 H new ATOM 0 HE1 PHE A 99 -5.541 25.599 46.309 1.00 28.89 H new ATOM 0 HE2 PHE A 99 -8.798 23.784 45.069 1.00 21.39 H new ATOM 0 HZ PHE A 99 -7.420 25.492 45.086 1.00 22.69 H new ATOM 766 N ASP A 100 -7.689 19.409 50.093 1.00 21.08 N ATOM 767 CA ASP A 100 -7.715 17.950 50.395 1.00 21.67 C ATOM 768 C ASP A 100 -7.785 17.262 48.982 1.00 22.24 C ATOM 769 O ASP A 100 -8.798 17.521 48.308 1.00 22.87 O ATOM 770 CB ASP A 100 -8.981 17.542 51.140 1.00 19.45 C ATOM 771 CG ASP A 100 -9.305 16.034 51.312 1.00 30.49 C ATOM 772 OD1 ASP A 100 -8.853 15.110 50.672 1.00 26.16 O ATOM 773 OD2 ASP A 100 -10.188 15.892 52.160 1.00 34.90 O ATOM 0 H ASP A 100 -8.462 19.772 49.991 1.00 21.08 H new ATOM 0 HA ASP A 100 -6.951 17.706 50.940 1.00 21.67 H new ATOM 0 HB2 ASP A 100 -8.938 17.934 52.026 1.00 19.45 H new ATOM 0 HB3 ASP A 100 -9.733 17.952 50.685 1.00 19.45 H new ATOM 774 N VAL A 101 -6.709 16.547 48.572 1.00 17.17 N ATOM 775 CA VAL A 101 -6.881 16.001 47.235 1.00 19.96 C ATOM 776 C VAL A 101 -6.625 14.501 47.255 1.00 23.63 C ATOM 777 O VAL A 101 -5.676 14.044 47.873 1.00 27.11 O ATOM 778 CB VAL A 101 -6.079 16.741 46.086 1.00 30.49 C ATOM 779 CG1 VAL A 101 -5.421 18.012 46.357 1.00 21.93 C ATOM 780 CG2 VAL A 101 -5.414 15.940 45.066 1.00 23.79 C ATOM 0 H VAL A 101 -5.976 16.389 48.993 1.00 17.17 H new ATOM 0 HA VAL A 101 -7.805 16.168 46.993 1.00 19.96 H new ATOM 0 HB VAL A 101 -6.897 17.034 45.656 1.00 30.49 H new ATOM 0 HG11 VAL A 101 -4.979 18.326 45.553 1.00 21.93 H new ATOM 0 HG12 VAL A 101 -6.081 18.665 46.639 1.00 21.93 H new ATOM 0 HG13 VAL A 101 -4.764 17.893 47.061 1.00 21.93 H new ATOM 0 HG21 VAL A 101 -4.968 16.526 44.435 1.00 23.79 H new ATOM 0 HG22 VAL A 101 -4.760 15.359 45.486 1.00 23.79 H new ATOM 0 HG23 VAL A 101 -6.071 15.401 44.598 1.00 23.79 H new ATOM 781 N GLU A 102 -7.403 13.790 46.455 1.00 21.50 N ATOM 782 CA GLU A 102 -7.205 12.345 46.259 1.00 22.62 C ATOM 783 C GLU A 102 -6.937 11.979 44.787 1.00 26.72 C ATOM 784 O GLU A 102 -7.674 12.481 43.926 1.00 22.38 O ATOM 785 CB GLU A 102 -8.477 11.674 46.887 1.00 21.61 C ATOM 786 CG GLU A 102 -8.322 10.117 46.631 1.00 24.78 C ATOM 787 CD GLU A 102 -9.514 9.309 47.039 1.00 30.98 C ATOM 788 OE1 GLU A 102 -10.576 9.846 47.411 1.00 28.03 O ATOM 789 OE2 GLU A 102 -9.473 8.059 47.000 1.00 29.91 O ATOM 0 H GLU A 102 -8.060 14.121 46.009 1.00 21.50 H new ATOM 0 HA GLU A 102 -6.405 12.016 46.697 1.00 22.62 H new ATOM 0 HB2 GLU A 102 -8.538 11.865 47.836 1.00 21.61 H new ATOM 0 HB3 GLU A 102 -9.287 12.014 46.477 1.00 21.61 H new ATOM 0 HG2 GLU A 102 -8.151 9.970 45.688 1.00 24.78 H new ATOM 0 HG3 GLU A 102 -7.545 9.795 47.114 1.00 24.78 H new ATOM 790 N LEU A 103 -5.745 11.342 44.578 1.00 22.17 N ATOM 791 CA LEU A 103 -5.293 10.961 43.214 1.00 24.31 C ATOM 792 C LEU A 103 -5.975 9.615 42.934 1.00 23.28 C ATOM 793 O LEU A 103 -5.560 8.647 43.492 1.00 26.70 O ATOM 794 CB LEU A 103 -3.786 10.940 43.084 1.00 21.34 C ATOM 795 CG LEU A 103 -3.259 10.546 41.702 1.00 21.32 C ATOM 796 CD1 LEU A 103 -3.742 11.510 40.609 1.00 27.59 C ATOM 797 CD2 LEU A 103 -1.729 10.461 41.737 1.00 28.29 C ATOM 0 H LEU A 103 -5.198 11.128 45.206 1.00 22.17 H new ATOM 0 HA LEU A 103 -5.548 11.615 42.545 1.00 24.31 H new ATOM 0 HB2 LEU A 103 -3.444 11.820 43.306 1.00 21.34 H new ATOM 0 HB3 LEU A 103 -3.427 10.322 43.740 1.00 21.34 H new ATOM 0 HG LEU A 103 -3.616 9.673 41.477 1.00 21.32 H new ATOM 0 HD11 LEU A 103 -3.389 11.229 39.750 1.00 27.59 H new ATOM 0 HD12 LEU A 103 -4.711 11.504 40.577 1.00 27.59 H new ATOM 0 HD13 LEU A 103 -3.431 12.407 40.808 1.00 27.59 H new ATOM 0 HD21 LEU A 103 -1.398 10.211 40.860 1.00 28.29 H new ATOM 0 HD22 LEU A 103 -1.362 11.324 41.987 1.00 28.29 H new ATOM 0 HD23 LEU A 103 -1.457 9.794 42.387 1.00 28.29 H new ATOM 798 N LEU A 104 -7.050 9.620 42.095 1.00 23.50 N ATOM 799 CA LEU A 104 -7.875 8.473 41.808 1.00 31.50 C ATOM 800 C LEU A 104 -7.271 7.527 40.757 1.00 37.42 C ATOM 801 O LEU A 104 -7.261 6.313 40.917 1.00 32.45 O ATOM 802 CB LEU A 104 -9.282 8.885 41.355 1.00 30.28 C ATOM 803 CG LEU A 104 -10.038 9.806 42.361 1.00 27.75 C ATOM 804 CD1 LEU A 104 -11.205 10.486 41.649 1.00 30.18 C ATOM 805 CD2 LEU A 104 -10.594 8.919 43.526 1.00 24.36 C ATOM 0 H LEU A 104 -7.304 10.328 41.678 1.00 23.50 H new ATOM 0 HA LEU A 104 -7.927 7.990 42.647 1.00 31.50 H new ATOM 0 HB2 LEU A 104 -9.214 9.342 40.502 1.00 30.28 H new ATOM 0 HB3 LEU A 104 -9.810 8.085 41.207 1.00 30.28 H new ATOM 0 HG LEU A 104 -9.436 10.481 42.710 1.00 27.75 H new ATOM 0 HD11 LEU A 104 -11.676 11.059 42.274 1.00 30.18 H new ATOM 0 HD12 LEU A 104 -10.868 11.020 40.912 1.00 30.18 H new ATOM 0 HD13 LEU A 104 -11.813 9.812 41.308 1.00 30.18 H new ATOM 0 HD21 LEU A 104 -11.068 9.478 44.161 1.00 24.36 H new ATOM 0 HD22 LEU A 104 -11.201 8.254 43.165 1.00 24.36 H new ATOM 0 HD23 LEU A 104 -9.858 8.474 43.974 1.00 24.36 H new ATOM 806 N LYS A 105 -6.728 8.100 39.664 1.00 24.74 N ATOM 807 CA LYS A 105 -6.272 7.273 38.562 1.00 33.49 C ATOM 808 C LYS A 105 -5.484 8.125 37.595 1.00 32.44 C ATOM 809 O LYS A 105 -5.525 9.358 37.759 1.00 25.20 O ATOM 810 CB LYS A 105 -7.400 6.631 37.835 1.00 43.43 C ATOM 811 CG LYS A 105 -8.413 7.446 37.093 1.00 40.95 C ATOM 812 CD LYS A 105 -9.174 6.428 36.269 1.00 43.04 C ATOM 813 CE LYS A 105 -10.671 6.662 36.133 1.00 64.26 C ATOM 814 NZ LYS A 105 -11.423 6.334 37.401 1.00 73.59 N ATOM 0 H LYS A 105 -6.622 8.946 39.555 1.00 24.74 H new ATOM 0 HA LYS A 105 -5.719 6.568 38.933 1.00 33.49 H new ATOM 0 HB2 LYS A 105 -7.010 6.015 37.195 1.00 43.43 H new ATOM 0 HB3 LYS A 105 -7.886 6.097 38.483 1.00 43.43 H new ATOM 0 HG2 LYS A 105 -9.001 7.921 37.701 1.00 40.95 H new ATOM 0 HG3 LYS A 105 -7.989 8.112 36.530 1.00 40.95 H new ATOM 0 HD2 LYS A 105 -8.787 6.404 35.380 1.00 43.04 H new ATOM 0 HD3 LYS A 105 -9.036 5.552 36.662 1.00 43.04 H new ATOM 0 HE2 LYS A 105 -10.831 7.589 35.896 1.00 64.26 H new ATOM 0 HE3 LYS A 105 -11.016 6.120 35.406 1.00 64.26 H new ATOM 0 HZ1 LYS A 105 -12.292 6.484 37.279 1.00 73.59 H new ATOM 0 HZ2 LYS A 105 -11.297 5.478 37.608 1.00 73.59 H new ATOM 0 HZ3 LYS A 105 -11.124 6.846 38.065 1.00 73.59 H new ATOM 815 N LEU A 106 -4.650 7.517 36.843 1.00 28.14 N ATOM 816 CA LEU A 106 -3.893 8.273 35.817 1.00 30.91 C ATOM 817 C LEU A 106 -4.409 7.719 34.474 1.00 37.94 C ATOM 818 O LEU A 106 -4.702 6.506 34.514 1.00 40.40 O ATOM 819 CB LEU A 106 -2.407 8.074 36.045 1.00 29.82 C ATOM 820 CG LEU A 106 -1.843 8.668 37.322 1.00 37.29 C ATOM 821 CD1 LEU A 106 -0.389 8.165 37.498 1.00 32.00 C ATOM 822 CD2 LEU A 106 -1.797 10.180 37.219 1.00 25.95 C ATOM 0 H LEU A 106 -4.480 6.675 36.878 1.00 28.14 H new ATOM 0 HA LEU A 106 -4.022 9.234 35.844 1.00 30.91 H new ATOM 0 HB2 LEU A 106 -2.223 7.122 36.044 1.00 29.82 H new ATOM 0 HB3 LEU A 106 -1.929 8.457 35.293 1.00 29.82 H new ATOM 0 HG LEU A 106 -2.403 8.405 38.069 1.00 37.29 H new ATOM 0 HD11 LEU A 106 -0.014 8.537 38.312 1.00 32.00 H new ATOM 0 HD12 LEU A 106 -0.386 7.197 37.554 1.00 32.00 H new ATOM 0 HD13 LEU A 106 0.145 8.446 36.739 1.00 32.00 H new ATOM 0 HD21 LEU A 106 -1.435 10.550 38.040 1.00 25.95 H new ATOM 0 HD22 LEU A 106 -1.233 10.437 36.473 1.00 25.95 H new ATOM 0 HD23 LEU A 106 -2.694 10.522 37.078 1.00 25.95 H new ATOM 823 N GLU A 107 -4.659 8.520 33.481 1.00 32.91 N ATOM 824 CA GLU A 107 -5.227 8.044 32.216 1.00 37.27 C ATOM 825 C GLU A 107 -4.517 8.790 31.106 1.00 42.58 C ATOM 826 O GLU A 107 -3.621 9.615 31.421 1.00 35.64 O ATOM 827 CB GLU A 107 -6.737 8.124 32.216 1.00 44.23 C ATOM 828 CG GLU A 107 -7.231 9.551 31.959 1.00 36.39 C ATOM 829 CD GLU A 107 -8.739 9.675 32.055 1.00 45.89 C ATOM 830 OE1 GLU A 107 -9.495 9.000 32.764 1.00 43.46 O ATOM 831 OE2 GLU A 107 -9.200 10.564 31.280 1.00 54.24 O ATOM 832 OXT GLU A 107 -4.663 8.395 29.929 1.00 52.50 O ATOM 0 H GLU A 107 -4.509 9.367 33.503 1.00 32.91 H new ATOM 0 HA GLU A 107 -5.072 7.097 32.075 1.00 37.27 H new ATOM 0 HB2 GLU A 107 -7.092 7.531 31.535 1.00 44.23 H new ATOM 0 HB3 GLU A 107 -7.077 7.813 33.069 1.00 44.23 H new ATOM 0 HG2 GLU A 107 -6.820 10.152 32.600 1.00 36.39 H new ATOM 0 HG3 GLU A 107 -6.942 9.835 31.078 1.00 36.39 H new TER 833 GLU A 107 ATOM 834 N VAL B 108 -12.756 32.906 4.992 1.00 55.78 N ATOM 835 CA VAL B 108 -12.541 32.139 6.329 1.00 47.95 C ATOM 836 C VAL B 108 -13.461 30.931 6.557 1.00 38.32 C ATOM 837 O VAL B 108 -14.712 30.976 6.570 1.00 41.50 O ATOM 838 CB VAL B 108 -12.509 33.019 7.533 1.00 47.66 C ATOM 839 CG1 VAL B 108 -12.816 32.513 8.935 1.00 35.15 C ATOM 840 CG2 VAL B 108 -11.123 33.740 7.602 1.00 73.77 C ATOM 0 HA VAL B 108 -11.652 31.771 6.209 1.00 47.95 H new ATOM 0 HB VAL B 108 -13.290 33.563 7.347 1.00 47.66 H new ATOM 0 HG11 VAL B 108 -12.739 33.244 9.567 1.00 35.15 H new ATOM 0 HG12 VAL B 108 -13.718 32.158 8.961 1.00 35.15 H new ATOM 0 HG13 VAL B 108 -12.187 31.814 9.172 1.00 35.15 H new ATOM 0 HG21 VAL B 108 -11.095 34.314 8.383 1.00 73.77 H new ATOM 0 HG22 VAL B 108 -10.416 33.078 7.663 1.00 73.77 H new ATOM 0 HG23 VAL B 108 -10.996 34.275 6.803 1.00 73.77 H new ATOM 841 N ALA B 109 -12.820 29.821 6.554 1.00 32.34 N ATOM 842 CA ALA B 109 -13.443 28.468 6.594 1.00 35.30 C ATOM 843 C ALA B 109 -12.856 27.862 7.929 1.00 32.41 C ATOM 844 O ALA B 109 -11.645 27.760 8.068 1.00 27.72 O ATOM 845 CB ALA B 109 -13.032 27.607 5.445 1.00 32.01 C ATOM 0 H ALA B 109 -11.961 29.790 6.528 1.00 32.34 H new ATOM 0 HA ALA B 109 -14.411 28.515 6.549 1.00 35.30 H new ATOM 0 HB1 ALA B 109 -13.463 26.741 5.518 1.00 32.01 H new ATOM 0 HB2 ALA B 109 -13.296 28.030 4.613 1.00 32.01 H new ATOM 0 HB3 ALA B 109 -12.069 27.490 5.456 1.00 32.01 H new ATOM 846 N ILE B 110 -13.781 27.650 8.911 1.00 29.15 N ATOM 847 CA ILE B 110 -13.153 26.948 10.053 1.00 28.07 C ATOM 848 C ILE B 110 -14.211 26.107 10.799 1.00 24.12 C ATOM 849 O ILE B 110 -15.389 26.531 10.675 1.00 28.44 O ATOM 850 CB ILE B 110 -12.547 27.960 11.045 1.00 34.10 C ATOM 851 CG1 ILE B 110 -11.813 27.303 12.195 1.00 37.23 C ATOM 852 CG2 ILE B 110 -13.676 28.887 11.535 1.00 37.64 C ATOM 853 CD1 ILE B 110 -11.133 28.428 13.057 1.00 39.45 C ATOM 0 H ILE B 110 -14.615 27.859 8.940 1.00 29.15 H new ATOM 0 HA ILE B 110 -12.452 26.375 9.705 1.00 28.07 H new ATOM 0 HB ILE B 110 -11.868 28.478 10.585 1.00 34.10 H new ATOM 0 HG12 ILE B 110 -12.429 26.788 12.738 1.00 37.23 H new ATOM 0 HG13 ILE B 110 -11.145 26.685 11.860 1.00 37.23 H new ATOM 0 HG21 ILE B 110 -13.315 29.533 12.162 1.00 37.64 H new ATOM 0 HG22 ILE B 110 -14.064 29.353 10.778 1.00 37.64 H new ATOM 0 HG23 ILE B 110 -14.361 28.359 11.974 1.00 37.64 H new ATOM 0 HD11 ILE B 110 -10.657 28.024 13.800 1.00 39.45 H new ATOM 0 HD12 ILE B 110 -10.509 28.925 12.506 1.00 39.45 H new ATOM 0 HD13 ILE B 110 -11.813 29.030 13.398 1.00 39.45 H new ATOM 854 N LEU B 111 -13.838 24.911 11.254 1.00 26.46 N ATOM 855 CA LEU B 111 -14.923 24.090 11.801 1.00 29.84 C ATOM 856 C LEU B 111 -15.328 24.657 13.179 1.00 32.46 C ATOM 857 O LEU B 111 -14.419 25.134 13.904 1.00 27.89 O ATOM 858 CB LEU B 111 -14.273 22.698 12.038 1.00 27.16 C ATOM 859 CG LEU B 111 -13.968 21.872 10.713 1.00 37.34 C ATOM 860 CD1 LEU B 111 -13.507 20.462 11.208 1.00 43.73 C ATOM 861 CD2 LEU B 111 -15.294 21.819 10.020 1.00 33.05 C ATOM 0 H LEU B 111 -13.045 24.578 11.260 1.00 26.46 H new ATOM 0 HA LEU B 111 -15.699 24.063 11.219 1.00 29.84 H new ATOM 0 HB2 LEU B 111 -13.444 22.821 12.526 1.00 27.16 H new ATOM 0 HB3 LEU B 111 -14.860 22.173 12.604 1.00 27.16 H new ATOM 0 HG LEU B 111 -13.291 22.233 10.119 1.00 37.34 H new ATOM 0 HD11 LEU B 111 -13.303 19.901 10.443 1.00 43.73 H new ATOM 0 HD12 LEU B 111 -12.715 20.556 11.760 1.00 43.73 H new ATOM 0 HD13 LEU B 111 -14.217 20.053 11.728 1.00 43.73 H new ATOM 0 HD21 LEU B 111 -15.205 21.327 9.189 1.00 33.05 H new ATOM 0 HD22 LEU B 111 -15.940 21.375 10.591 1.00 33.05 H new ATOM 0 HD23 LEU B 111 -15.597 22.721 9.831 1.00 33.05 H new ATOM 862 N TRP B 112 -16.599 24.417 13.567 1.00 30.48 N ATOM 863 CA TRP B 112 -17.047 24.997 14.827 1.00 28.61 C ATOM 864 C TRP B 112 -16.260 24.328 15.985 1.00 31.55 C ATOM 865 O TRP B 112 -16.011 25.050 16.960 1.00 28.32 O ATOM 866 CB TRP B 112 -18.518 24.771 14.945 1.00 25.52 C ATOM 867 CG TRP B 112 -19.392 25.795 14.293 1.00 24.89 C ATOM 868 CD1 TRP B 112 -19.023 26.825 13.464 1.00 29.93 C ATOM 869 CD2 TRP B 112 -20.805 25.853 14.474 1.00 30.62 C ATOM 870 NE1 TRP B 112 -20.152 27.508 13.136 1.00 28.47 N ATOM 871 CE2 TRP B 112 -21.264 26.973 13.708 1.00 28.20 C ATOM 872 CE3 TRP B 112 -21.736 25.121 15.191 1.00 27.92 C ATOM 873 CZ2 TRP B 112 -22.598 27.295 13.691 1.00 26.49 C ATOM 874 CZ3 TRP B 112 -23.093 25.454 15.254 1.00 32.63 C ATOM 875 CH2 TRP B 112 -23.445 26.559 14.450 1.00 34.48 C ATOM 0 H TRP B 112 -17.178 23.949 13.137 1.00 30.48 H new ATOM 0 HA TRP B 112 -16.881 25.952 14.865 1.00 28.61 H new ATOM 0 HB2 TRP B 112 -18.726 23.904 14.563 1.00 25.52 H new ATOM 0 HB3 TRP B 112 -18.746 24.729 15.887 1.00 25.52 H new ATOM 0 HD1 TRP B 112 -18.159 27.020 13.179 1.00 29.93 H new ATOM 0 HE1 TRP B 112 -20.162 28.200 12.625 1.00 28.47 H new ATOM 0 HE3 TRP B 112 -21.444 24.369 15.654 1.00 27.92 H new ATOM 0 HZ2 TRP B 112 -22.912 28.000 13.172 1.00 26.49 H new ATOM 0 HZ3 TRP B 112 -23.706 24.990 15.777 1.00 32.63 H new ATOM 0 HH2 TRP B 112 -24.342 26.805 14.440 1.00 34.48 H new ATOM 876 N HIS B 113 -15.819 23.120 15.927 1.00 31.17 N ATOM 877 CA HIS B 113 -14.978 22.388 16.833 1.00 37.99 C ATOM 878 C HIS B 113 -13.685 23.202 17.097 1.00 39.12 C ATOM 879 O HIS B 113 -13.264 23.513 18.227 1.00 30.45 O ATOM 880 CB HIS B 113 -14.732 20.914 16.320 1.00 47.52 C ATOM 881 CG HIS B 113 -15.960 20.263 15.661 1.00 53.71 C ATOM 882 ND1 HIS B 113 -16.660 20.656 14.457 1.00 38.38 N ATOM 883 CD2 HIS B 113 -16.613 19.159 16.116 1.00 45.77 C ATOM 884 CE1 HIS B 113 -17.702 19.859 14.312 1.00 41.51 C ATOM 885 NE2 HIS B 113 -17.704 18.924 15.278 1.00 50.21 N ATOM 0 H HIS B 113 -16.033 22.626 15.257 1.00 31.17 H new ATOM 0 HA HIS B 113 -15.419 22.277 17.690 1.00 37.99 H new ATOM 0 HB2 HIS B 113 -14.001 20.922 15.682 1.00 47.52 H new ATOM 0 HB3 HIS B 113 -14.450 20.365 17.068 1.00 47.52 H new ATOM 0 HD2 HIS B 113 -16.374 18.650 16.857 1.00 45.77 H new ATOM 0 HE1 HIS B 113 -18.341 19.933 13.640 1.00 41.51 H new ATOM 0 HE2 HIS B 113 -18.279 18.290 15.365 1.00 50.21 H new ATOM 886 N GLU B 114 -13.071 23.709 15.974 1.00 29.95 N ATOM 887 CA GLU B 114 -11.800 24.409 16.070 1.00 29.07 C ATOM 888 C GLU B 114 -12.011 25.781 16.699 1.00 27.70 C ATOM 889 O GLU B 114 -11.146 26.334 17.402 1.00 29.32 O ATOM 890 CB GLU B 114 -10.988 24.580 14.759 1.00 33.99 C ATOM 891 CG GLU B 114 -10.762 23.121 14.280 1.00 58.48 C ATOM 892 CD GLU B 114 -9.889 23.050 13.048 1.00 63.11 C ATOM 893 OE1 GLU B 114 -9.223 24.084 12.760 1.00 50.43 O ATOM 894 OE2 GLU B 114 -10.039 21.946 12.460 1.00 56.68 O ATOM 0 H GLU B 114 -13.388 23.646 15.177 1.00 29.95 H new ATOM 0 HA GLU B 114 -11.258 23.823 16.622 1.00 29.07 H new ATOM 0 HB2 GLU B 114 -11.476 25.100 14.102 1.00 33.99 H new ATOM 0 HB3 GLU B 114 -10.148 25.038 14.916 1.00 33.99 H new ATOM 0 HG2 GLU B 114 -10.352 22.608 14.994 1.00 58.48 H new ATOM 0 HG3 GLU B 114 -11.619 22.709 14.091 1.00 58.48 H new ATOM 895 N MET B 115 -13.150 26.382 16.233 1.00 28.27 N ATOM 896 CA MET B 115 -13.212 27.904 16.611 1.00 29.14 C ATOM 897 C MET B 115 -13.467 27.881 18.143 1.00 23.44 C ATOM 898 O MET B 115 -12.903 28.799 18.849 1.00 24.65 O ATOM 899 CB MET B 115 -14.502 28.338 16.031 1.00 22.59 C ATOM 900 CG MET B 115 -15.102 29.671 16.148 1.00 37.61 C ATOM 901 SD MET B 115 -16.760 29.506 15.355 1.00 48.70 S ATOM 902 CE MET B 115 -16.136 29.206 13.703 1.00 30.31 C ATOM 0 H MET B 115 -13.797 26.038 15.783 1.00 28.27 H new ATOM 0 HA MET B 115 -12.447 28.435 16.340 1.00 29.14 H new ATOM 0 HB2 MET B 115 -14.430 28.167 15.079 1.00 22.59 H new ATOM 0 HB3 MET B 115 -15.165 27.722 16.380 1.00 22.59 H new ATOM 0 HG2 MET B 115 -15.180 29.943 17.076 1.00 37.61 H new ATOM 0 HG3 MET B 115 -14.562 30.341 15.701 1.00 37.61 H new ATOM 0 HE1 MET B 115 -16.747 29.585 13.052 1.00 30.31 H new ATOM 0 HE2 MET B 115 -15.264 29.619 13.606 1.00 30.31 H new ATOM 0 HE3 MET B 115 -16.059 28.251 13.555 1.00 30.31 H new ATOM 903 N TRP B 116 -14.342 26.952 18.648 1.00 22.91 N ATOM 904 CA TRP B 116 -14.524 26.878 20.100 1.00 27.38 C ATOM 905 C TRP B 116 -13.289 26.426 20.896 1.00 26.92 C ATOM 906 O TRP B 116 -13.101 26.928 21.983 1.00 21.58 O ATOM 907 CB TRP B 116 -15.730 25.979 20.342 1.00 21.56 C ATOM 908 CG TRP B 116 -17.021 26.702 20.204 1.00 21.88 C ATOM 909 CD1 TRP B 116 -17.959 26.552 19.227 1.00 23.32 C ATOM 910 CD2 TRP B 116 -17.618 27.656 21.152 1.00 22.16 C ATOM 911 NE1 TRP B 116 -19.071 27.343 19.413 1.00 25.53 N ATOM 912 CE2 TRP B 116 -18.842 28.019 20.612 1.00 20.99 C ATOM 913 CE3 TRP B 116 -17.164 28.252 22.326 1.00 29.05 C ATOM 914 CZ2 TRP B 116 -19.722 28.957 21.242 1.00 27.37 C ATOM 915 CZ3 TRP B 116 -18.029 29.175 22.986 1.00 27.36 C ATOM 916 CH2 TRP B 116 -19.246 29.522 22.385 1.00 25.33 C ATOM 0 H TRP B 116 -14.805 26.396 18.183 1.00 22.91 H new ATOM 0 HA TRP B 116 -14.670 27.775 20.438 1.00 27.38 H new ATOM 0 HB2 TRP B 116 -15.709 25.240 19.714 1.00 21.56 H new ATOM 0 HB3 TRP B 116 -15.671 25.597 21.232 1.00 21.56 H new ATOM 0 HD1 TRP B 116 -17.858 25.973 18.506 1.00 23.32 H new ATOM 0 HE1 TRP B 116 -19.759 27.407 18.900 1.00 25.53 H new ATOM 0 HE3 TRP B 116 -16.323 28.054 22.669 1.00 29.05 H new ATOM 0 HZ2 TRP B 116 -20.559 29.165 20.895 1.00 27.37 H new ATOM 0 HZ3 TRP B 116 -17.788 29.542 23.806 1.00 27.36 H new ATOM 0 HH2 TRP B 116 -19.761 30.180 22.793 1.00 25.33 H new ATOM 917 N HIS B 117 -12.461 25.466 20.385 1.00 22.92 N ATOM 918 CA HIS B 117 -11.348 24.989 21.185 1.00 27.51 C ATOM 919 C HIS B 117 -10.390 26.160 21.355 1.00 28.35 C ATOM 920 O HIS B 117 -9.967 26.522 22.509 1.00 26.69 O ATOM 921 CB HIS B 117 -10.696 23.809 20.464 1.00 28.26 C ATOM 922 CG HIS B 117 -9.589 23.217 21.225 1.00 28.54 C ATOM 923 ND1 HIS B 117 -8.328 23.808 21.223 1.00 35.10 N ATOM 924 CD2 HIS B 117 -9.571 22.144 22.050 1.00 30.04 C ATOM 925 CE1 HIS B 117 -7.548 23.060 22.037 1.00 35.04 C ATOM 926 NE2 HIS B 117 -8.268 22.095 22.524 1.00 29.01 N ATOM 0 H HIS B 117 -12.540 25.106 19.608 1.00 22.92 H new ATOM 0 HA HIS B 117 -11.625 24.676 22.060 1.00 27.51 H new ATOM 0 HB2 HIS B 117 -11.366 23.129 20.295 1.00 28.26 H new ATOM 0 HB3 HIS B 117 -10.367 24.105 19.601 1.00 28.26 H new ATOM 0 HD2 HIS B 117 -10.273 21.569 22.253 1.00 30.04 H new ATOM 0 HE1 HIS B 117 -6.648 23.211 22.217 1.00 35.04 H new ATOM 0 HE2 HIS B 117 -7.974 21.500 23.071 1.00 29.01 H new ATOM 927 N GLU B 118 -10.096 26.860 20.243 1.00 25.68 N ATOM 928 CA GLU B 118 -9.220 27.987 20.329 1.00 28.28 C ATOM 929 C GLU B 118 -9.778 29.145 21.117 1.00 26.75 C ATOM 930 O GLU B 118 -9.032 29.839 21.887 1.00 27.93 O ATOM 931 CB GLU B 118 -9.133 28.481 18.820 1.00 28.52 C ATOM 932 CG GLU B 118 -7.851 29.050 18.345 1.00 51.89 C ATOM 933 CD GLU B 118 -8.150 29.205 16.821 1.00 61.75 C ATOM 934 OE1 GLU B 118 -8.086 28.157 16.123 1.00 60.11 O ATOM 935 OE2 GLU B 118 -8.518 30.388 16.573 1.00 46.25 O ATOM 0 H GLU B 118 -10.397 26.686 19.456 1.00 25.68 H new ATOM 0 HA GLU B 118 -8.392 27.728 20.763 1.00 28.28 H new ATOM 0 HB2 GLU B 118 -9.354 27.729 18.248 1.00 28.52 H new ATOM 0 HB3 GLU B 118 -9.822 29.150 18.687 1.00 28.52 H new ATOM 0 HG2 GLU B 118 -7.646 29.898 18.768 1.00 51.89 H new ATOM 0 HG3 GLU B 118 -7.101 28.459 18.515 1.00 51.89 H new ATOM 936 N GLY B 119 -11.067 29.463 20.941 1.00 22.29 N ATOM 937 CA GLY B 119 -11.717 30.555 21.606 1.00 29.17 C ATOM 938 C GLY B 119 -11.790 30.356 23.157 1.00 25.38 C ATOM 939 O GLY B 119 -11.442 31.268 23.821 1.00 25.64 O ATOM 0 H GLY B 119 -11.587 29.027 20.413 1.00 22.29 H new ATOM 0 HA2 GLY B 119 -11.242 31.378 21.411 1.00 29.17 H new ATOM 0 HA3 GLY B 119 -12.615 30.656 21.253 1.00 29.17 H new ATOM 940 N LEU B 120 -12.151 29.133 23.630 1.00 21.57 N ATOM 941 CA LEU B 120 -12.235 28.821 25.077 1.00 25.27 C ATOM 942 C LEU B 120 -10.853 28.939 25.677 1.00 22.07 C ATOM 943 O LEU B 120 -10.715 29.556 26.796 1.00 23.49 O ATOM 944 CB LEU B 120 -12.899 27.404 25.244 1.00 20.24 C ATOM 945 CG LEU B 120 -14.387 27.381 24.855 1.00 20.64 C ATOM 946 CD1 LEU B 120 -14.953 25.936 25.037 1.00 21.71 C ATOM 947 CD2 LEU B 120 -15.251 28.495 25.634 1.00 24.29 C ATOM 0 H LEU B 120 -12.351 28.470 23.120 1.00 21.57 H new ATOM 0 HA LEU B 120 -12.797 29.447 25.561 1.00 25.27 H new ATOM 0 HB2 LEU B 120 -12.418 26.762 24.698 1.00 20.24 H new ATOM 0 HB3 LEU B 120 -12.808 27.117 26.166 1.00 20.24 H new ATOM 0 HG LEU B 120 -14.462 27.621 23.918 1.00 20.64 H new ATOM 0 HD11 LEU B 120 -15.891 25.922 24.791 1.00 21.71 H new ATOM 0 HD12 LEU B 120 -14.462 25.322 24.469 1.00 21.71 H new ATOM 0 HD13 LEU B 120 -14.858 25.665 25.964 1.00 21.71 H new ATOM 0 HD21 LEU B 120 -16.178 28.439 25.355 1.00 24.29 H new ATOM 0 HD22 LEU B 120 -15.192 28.341 26.590 1.00 24.29 H new ATOM 0 HD23 LEU B 120 -14.904 29.377 25.427 1.00 24.29 H new ATOM 948 N GLU B 121 -9.818 28.446 25.076 1.00 21.84 N ATOM 949 CA GLU B 121 -8.452 28.481 25.482 1.00 28.54 C ATOM 950 C GLU B 121 -8.020 29.923 25.669 1.00 32.36 C ATOM 951 O GLU B 121 -7.579 30.256 26.793 1.00 32.09 O ATOM 952 CB GLU B 121 -7.516 27.638 24.647 1.00 30.50 C ATOM 953 CG GLU B 121 -6.086 27.606 25.240 1.00 37.12 C ATOM 954 CD GLU B 121 -5.259 26.480 24.698 1.00 42.82 C ATOM 955 OE1 GLU B 121 -5.283 26.219 23.500 1.00 49.28 O ATOM 956 OE2 GLU B 121 -4.492 25.855 25.446 1.00 45.55 O ATOM 0 H GLU B 121 -9.907 28.031 24.328 1.00 21.84 H new ATOM 0 HA GLU B 121 -8.387 28.037 26.342 1.00 28.54 H new ATOM 0 HB2 GLU B 121 -7.862 26.734 24.587 1.00 30.50 H new ATOM 0 HB3 GLU B 121 -7.484 27.989 23.743 1.00 30.50 H new ATOM 0 HG2 GLU B 121 -5.643 28.448 25.051 1.00 37.12 H new ATOM 0 HG3 GLU B 121 -6.142 27.526 26.205 1.00 37.12 H new ATOM 957 N GLU B 122 -8.345 30.799 24.664 1.00 25.11 N ATOM 958 CA GLU B 122 -7.927 32.155 24.689 1.00 33.65 C ATOM 959 C GLU B 122 -8.733 32.957 25.778 1.00 29.68 C ATOM 960 O GLU B 122 -8.151 33.637 26.558 1.00 24.46 O ATOM 961 CB GLU B 122 -8.165 32.809 23.290 1.00 30.85 C ATOM 962 CG GLU B 122 -7.700 34.279 23.357 1.00 49.55 C ATOM 963 CD GLU B 122 -6.299 34.551 23.901 1.00 58.72 C ATOM 964 OE1 GLU B 122 -5.335 33.759 24.016 1.00 55.47 O ATOM 965 OE2 GLU B 122 -6.052 35.715 24.287 1.00 58.21 O ATOM 0 H GLU B 122 -8.811 30.585 23.974 1.00 25.11 H new ATOM 0 HA GLU B 122 -6.982 32.182 24.907 1.00 33.65 H new ATOM 0 HB2 GLU B 122 -7.673 32.330 22.605 1.00 30.85 H new ATOM 0 HB3 GLU B 122 -9.104 32.762 23.050 1.00 30.85 H new ATOM 0 HG2 GLU B 122 -7.751 34.650 22.462 1.00 49.55 H new ATOM 0 HG3 GLU B 122 -8.334 34.769 23.904 1.00 49.55 H new ATOM 966 N ALA B 123 -10.019 32.731 25.854 1.00 22.54 N ATOM 967 CA ALA B 123 -10.885 33.427 26.786 1.00 21.36 C ATOM 968 C ALA B 123 -10.462 33.007 28.238 1.00 26.56 C ATOM 969 O ALA B 123 -10.512 33.856 29.091 1.00 25.95 O ATOM 970 CB ALA B 123 -12.324 33.088 26.612 1.00 18.38 C ATOM 0 H ALA B 123 -10.429 32.159 25.359 1.00 22.54 H new ATOM 0 HA ALA B 123 -10.787 34.378 26.625 1.00 21.36 H new ATOM 0 HB1 ALA B 123 -12.853 33.580 27.259 1.00 18.38 H new ATOM 0 HB2 ALA B 123 -12.607 33.326 25.715 1.00 18.38 H new ATOM 0 HB3 ALA B 123 -12.451 32.136 26.748 1.00 18.38 H new ATOM 971 N SER B 124 -10.252 31.708 28.447 1.00 25.32 N ATOM 972 CA SER B 124 -9.723 31.317 29.787 1.00 24.39 C ATOM 973 C SER B 124 -8.401 31.912 30.151 1.00 29.24 C ATOM 974 O SER B 124 -8.173 32.223 31.345 1.00 29.49 O ATOM 975 CB SER B 124 -9.766 29.733 29.870 1.00 23.79 C ATOM 976 OG SER B 124 -8.540 29.266 29.366 1.00 28.57 O ATOM 0 H SER B 124 -10.391 31.071 27.886 1.00 25.32 H new ATOM 0 HA SER B 124 -10.294 31.701 30.470 1.00 24.39 H new ATOM 0 HB2 SER B 124 -9.895 29.440 30.786 1.00 23.79 H new ATOM 0 HB3 SER B 124 -10.507 29.381 29.352 1.00 23.79 H new ATOM 0 HG SER B 124 -8.386 29.628 28.624 1.00 28.57 H new ATOM 977 N ARG B 125 -7.477 32.071 29.116 1.00 24.86 N ATOM 978 CA ARG B 125 -6.214 32.779 29.446 1.00 27.68 C ATOM 979 C ARG B 125 -6.387 34.188 29.857 1.00 32.33 C ATOM 980 O ARG B 125 -5.796 34.670 30.905 1.00 32.10 O ATOM 981 CB ARG B 125 -5.290 32.669 28.216 1.00 28.55 C ATOM 982 CG ARG B 125 -3.839 32.984 28.496 1.00 49.24 C ATOM 983 CD ARG B 125 -3.162 33.630 27.250 1.00 58.27 C ATOM 984 NE ARG B 125 -3.629 35.014 27.271 1.00 73.84 N ATOM 985 CZ ARG B 125 -3.635 35.909 26.313 1.00 82.46 C ATOM 986 NH1 ARG B 125 -3.168 35.654 25.107 1.00 86.67 N ATOM 987 NH2 ARG B 125 -4.139 37.094 26.621 1.00 79.93 N ATOM 0 H ARG B 125 -7.567 31.799 28.305 1.00 24.86 H new ATOM 0 HA ARG B 125 -5.826 32.353 30.226 1.00 27.68 H new ATOM 0 HB2 ARG B 125 -5.351 31.769 27.858 1.00 28.55 H new ATOM 0 HB3 ARG B 125 -5.613 33.271 27.527 1.00 28.55 H new ATOM 0 HG2 ARG B 125 -3.775 33.587 29.253 1.00 49.24 H new ATOM 0 HG3 ARG B 125 -3.369 32.172 28.740 1.00 49.24 H new ATOM 0 HD2 ARG B 125 -2.195 33.581 27.306 1.00 58.27 H new ATOM 0 HD3 ARG B 125 -3.422 33.180 26.431 1.00 58.27 H new ATOM 0 HE ARG B 125 -3.947 35.281 28.024 1.00 73.84 H new ATOM 0 HH11 ARG B 125 -2.845 34.878 24.926 1.00 86.67 H new ATOM 0 HH12 ARG B 125 -3.187 36.264 24.501 1.00 86.67 H new ATOM 0 HH21 ARG B 125 -4.439 37.241 27.414 1.00 79.93 H new ATOM 0 HH22 ARG B 125 -4.166 37.717 26.029 1.00 79.93 H new ATOM 988 N LEU B 126 -7.229 34.971 29.163 1.00 27.73 N ATOM 989 CA LEU B 126 -7.525 36.322 29.545 1.00 28.96 C ATOM 990 C LEU B 126 -8.149 36.462 30.907 1.00 32.60 C ATOM 991 O LEU B 126 -7.690 37.306 31.664 1.00 29.09 O ATOM 992 CB LEU B 126 -8.574 36.884 28.439 1.00 23.76 C ATOM 993 CG LEU B 126 -7.912 37.072 27.030 1.00 33.63 C ATOM 994 CD1 LEU B 126 -9.052 37.395 25.915 1.00 37.87 C ATOM 995 CD2 LEU B 126 -6.913 38.203 27.090 1.00 30.72 C ATOM 0 H LEU B 126 -7.639 34.712 28.453 1.00 27.73 H new ATOM 0 HA LEU B 126 -6.690 36.814 29.586 1.00 28.96 H new ATOM 0 HB2 LEU B 126 -9.321 36.270 28.363 1.00 23.76 H new ATOM 0 HB3 LEU B 126 -8.934 37.733 28.740 1.00 23.76 H new ATOM 0 HG LEU B 126 -7.456 36.253 26.780 1.00 33.63 H new ATOM 0 HD11 LEU B 126 -8.633 37.510 25.048 1.00 37.87 H new ATOM 0 HD12 LEU B 126 -9.683 36.659 25.874 1.00 37.87 H new ATOM 0 HD13 LEU B 126 -9.521 38.209 26.157 1.00 37.87 H new ATOM 0 HD21 LEU B 126 -6.503 38.320 26.219 1.00 30.72 H new ATOM 0 HD22 LEU B 126 -7.366 39.022 27.346 1.00 30.72 H new ATOM 0 HD23 LEU B 126 -6.227 37.995 27.744 1.00 30.72 H new ATOM 996 N TYR B 127 -9.088 35.528 31.246 1.00 25.73 N ATOM 997 CA TYR B 127 -9.840 35.633 32.462 1.00 27.53 C ATOM 998 C TYR B 127 -8.921 35.066 33.636 1.00 30.66 C ATOM 999 O TYR B 127 -8.613 35.830 34.486 1.00 30.46 O ATOM 1000 CB TYR B 127 -11.148 34.848 32.457 1.00 24.78 C ATOM 1001 CG TYR B 127 -11.911 34.861 33.791 1.00 21.88 C ATOM 1002 CD1 TYR B 127 -12.185 36.041 34.471 1.00 31.57 C ATOM 1003 CD2 TYR B 127 -12.215 33.689 34.410 1.00 30.90 C ATOM 1004 CE1 TYR B 127 -12.866 36.011 35.701 1.00 36.71 C ATOM 1005 CE2 TYR B 127 -12.920 33.639 35.628 1.00 33.73 C ATOM 1006 CZ TYR B 127 -13.223 34.814 36.231 1.00 39.32 C ATOM 1007 OH TYR B 127 -13.888 34.708 37.449 1.00 34.18 O ATOM 0 H TYR B 127 -9.280 34.841 30.766 1.00 25.73 H new ATOM 0 HA TYR B 127 -10.081 36.566 32.576 1.00 27.53 H new ATOM 0 HB2 TYR B 127 -11.725 35.209 31.765 1.00 24.78 H new ATOM 0 HB3 TYR B 127 -10.958 33.928 32.216 1.00 24.78 H new ATOM 0 HD1 TYR B 127 -11.917 36.855 34.111 1.00 31.57 H new ATOM 0 HD2 TYR B 127 -11.947 32.891 34.014 1.00 30.90 H new ATOM 0 HE1 TYR B 127 -13.069 36.802 36.146 1.00 36.71 H new ATOM 0 HE2 TYR B 127 -13.169 32.827 36.006 1.00 33.73 H new ATOM 0 HH TYR B 127 -14.346 34.004 37.458 1.00 34.18 H new ATOM 1008 N PHE B 128 -8.548 33.826 33.584 1.00 26.10 N ATOM 1009 CA PHE B 128 -7.788 33.216 34.737 1.00 31.74 C ATOM 1010 C PHE B 128 -6.352 33.644 34.875 1.00 33.66 C ATOM 1011 O PHE B 128 -5.893 33.881 35.997 1.00 37.26 O ATOM 1012 CB PHE B 128 -7.840 31.675 34.617 1.00 22.79 C ATOM 1013 CG PHE B 128 -9.257 31.164 34.834 1.00 27.97 C ATOM 1014 CD1 PHE B 128 -9.861 31.188 36.030 1.00 25.80 C ATOM 1015 CD2 PHE B 128 -9.954 30.643 33.747 1.00 32.81 C ATOM 1016 CE1 PHE B 128 -11.104 30.717 36.165 1.00 27.65 C ATOM 1017 CE2 PHE B 128 -11.231 30.085 33.904 1.00 22.41 C ATOM 1018 CZ PHE B 128 -11.913 30.212 35.087 1.00 26.90 C ATOM 0 H PHE B 128 -8.700 33.295 32.925 1.00 26.10 H new ATOM 0 HA PHE B 128 -8.232 33.544 35.535 1.00 31.74 H new ATOM 0 HB2 PHE B 128 -7.524 31.404 33.741 1.00 22.79 H new ATOM 0 HB3 PHE B 128 -7.244 31.275 35.270 1.00 22.79 H new ATOM 0 HD1 PHE B 128 -9.414 31.534 36.768 1.00 25.80 H new ATOM 0 HD2 PHE B 128 -9.566 30.665 32.902 1.00 32.81 H new ATOM 0 HE1 PHE B 128 -11.474 30.715 37.018 1.00 27.65 H new ATOM 0 HE2 PHE B 128 -11.620 29.623 33.197 1.00 22.41 H new ATOM 0 HZ PHE B 128 -12.812 29.993 35.183 1.00 26.90 H new ATOM 1019 N GLY B 129 -5.636 33.818 33.760 1.00 28.53 N ATOM 1020 CA GLY B 129 -4.280 34.194 33.691 1.00 40.11 C ATOM 1021 C GLY B 129 -4.171 35.720 33.853 1.00 50.14 C ATOM 1022 O GLY B 129 -3.396 36.183 34.675 1.00 40.04 O ATOM 0 H GLY B 129 -5.982 33.704 32.981 1.00 28.53 H new ATOM 0 HA2 GLY B 129 -3.773 33.747 34.387 1.00 40.11 H new ATOM 0 HA3 GLY B 129 -3.900 33.920 32.842 1.00 40.11 H new ATOM 1023 N GLU B 130 -4.919 36.473 33.036 1.00 44.72 N ATOM 1024 CA GLU B 130 -4.774 37.931 33.065 1.00 34.76 C ATOM 1025 C GLU B 130 -5.697 38.742 33.946 1.00 37.33 C ATOM 1026 O GLU B 130 -5.618 39.985 33.981 1.00 38.14 O ATOM 1027 CB GLU B 130 -4.734 38.400 31.576 1.00 36.33 C ATOM 1028 CG GLU B 130 -3.486 37.757 30.948 1.00 48.23 C ATOM 1029 CD GLU B 130 -3.324 37.813 29.459 1.00 75.08 C ATOM 1030 OE1 GLU B 130 -3.736 38.730 28.712 1.00 70.65 O ATOM 1031 OE2 GLU B 130 -2.720 36.821 28.966 1.00 83.84 O ATOM 0 H GLU B 130 -5.497 36.170 32.476 1.00 44.72 H new ATOM 0 HA GLU B 130 -3.948 38.122 33.537 1.00 34.76 H new ATOM 0 HB2 GLU B 130 -5.537 38.126 31.106 1.00 36.33 H new ATOM 0 HB3 GLU B 130 -4.689 39.367 31.520 1.00 36.33 H new ATOM 0 HG2 GLU B 130 -2.707 38.176 31.345 1.00 48.23 H new ATOM 0 HG3 GLU B 130 -3.471 36.824 31.211 1.00 48.23 H new ATOM 1032 N ARG B 131 -6.696 38.090 34.557 1.00 27.42 N ATOM 1033 CA ARG B 131 -7.757 38.739 35.279 1.00 37.52 C ATOM 1034 C ARG B 131 -8.484 39.766 34.359 1.00 44.40 C ATOM 1035 O ARG B 131 -8.933 40.800 34.887 1.00 36.05 O ATOM 1036 CB ARG B 131 -7.194 39.478 36.488 1.00 40.27 C ATOM 1037 CG ARG B 131 -7.133 38.556 37.755 1.00 44.53 C ATOM 1038 CD ARG B 131 -6.079 37.492 37.535 1.00 46.61 C ATOM 1039 NE ARG B 131 -5.854 36.870 38.857 1.00 54.12 N ATOM 1040 CZ ARG B 131 -4.824 36.121 39.181 1.00 55.11 C ATOM 1041 NH1 ARG B 131 -3.924 35.902 38.220 1.00 44.28 N ATOM 1042 NH2 ARG B 131 -4.715 35.642 40.449 1.00 49.75 N ATOM 0 H ARG B 131 -6.762 37.233 34.553 1.00 27.42 H new ATOM 0 HA ARG B 131 -8.385 38.060 35.572 1.00 37.52 H new ATOM 0 HB2 ARG B 131 -6.304 39.805 36.282 1.00 40.27 H new ATOM 0 HB3 ARG B 131 -7.744 40.254 36.678 1.00 40.27 H new ATOM 0 HG2 ARG B 131 -6.921 39.081 38.542 1.00 44.53 H new ATOM 0 HG3 ARG B 131 -7.997 38.145 37.913 1.00 44.53 H new ATOM 0 HD2 ARG B 131 -6.378 36.835 36.887 1.00 46.61 H new ATOM 0 HD3 ARG B 131 -5.260 37.880 37.189 1.00 46.61 H new ATOM 0 HE ARG B 131 -6.446 37.010 39.465 1.00 54.12 H new ATOM 0 HH11 ARG B 131 -4.037 36.245 37.439 1.00 44.28 H new ATOM 0 HH12 ARG B 131 -3.232 35.418 38.382 1.00 44.28 H new ATOM 0 HH21 ARG B 131 -5.318 35.830 41.033 1.00 49.75 H new ATOM 0 HH22 ARG B 131 -4.043 35.151 40.667 1.00 49.75 H new ATOM 1043 N ASN B 132 -8.570 39.481 33.055 1.00 32.98 N ATOM 1044 CA ASN B 132 -9.236 40.419 32.176 1.00 30.01 C ATOM 1045 C ASN B 132 -10.605 39.908 31.729 1.00 28.30 C ATOM 1046 O ASN B 132 -10.662 39.173 30.746 1.00 28.58 O ATOM 1047 CB ASN B 132 -8.294 40.621 30.964 1.00 34.24 C ATOM 1048 CG ASN B 132 -8.824 41.584 29.945 1.00 28.67 C ATOM 1049 OD1 ASN B 132 -9.873 42.194 30.074 1.00 30.31 O ATOM 1050 ND2 ASN B 132 -8.121 41.757 28.855 1.00 32.53 N ATOM 0 H ASN B 132 -8.258 38.773 32.679 1.00 32.98 H new ATOM 0 HA ASN B 132 -9.406 41.256 32.636 1.00 30.01 H new ATOM 0 HB2 ASN B 132 -7.434 40.939 31.282 1.00 34.24 H new ATOM 0 HB3 ASN B 132 -8.140 39.763 30.538 1.00 34.24 H new ATOM 0 HD21 ASN B 132 -8.400 42.294 28.244 1.00 32.53 H new ATOM 0 HD22 ASN B 132 -7.380 41.334 28.750 1.00 32.53 H new ATOM 1051 N VAL B 133 -11.695 40.256 32.424 1.00 21.42 N ATOM 1052 CA VAL B 133 -13.017 39.791 32.192 1.00 29.25 C ATOM 1053 C VAL B 133 -13.514 40.472 30.902 1.00 31.35 C ATOM 1054 O VAL B 133 -14.150 39.843 30.046 1.00 26.94 O ATOM 1055 CB VAL B 133 -13.973 40.060 33.361 1.00 28.30 C ATOM 1056 CG1 VAL B 133 -15.371 39.554 32.968 1.00 28.68 C ATOM 1057 CG2 VAL B 133 -13.588 39.343 34.675 1.00 33.92 C ATOM 0 H VAL B 133 -11.654 40.808 33.082 1.00 21.42 H new ATOM 0 HA VAL B 133 -13.002 38.825 32.102 1.00 29.25 H new ATOM 0 HB VAL B 133 -13.937 41.015 33.526 1.00 28.30 H new ATOM 0 HG11 VAL B 133 -15.991 39.716 33.697 1.00 28.68 H new ATOM 0 HG12 VAL B 133 -15.674 40.024 32.176 1.00 28.68 H new ATOM 0 HG13 VAL B 133 -15.331 38.603 32.784 1.00 28.68 H new ATOM 0 HG21 VAL B 133 -14.235 39.560 35.364 1.00 33.92 H new ATOM 0 HG22 VAL B 133 -13.580 38.384 34.530 1.00 33.92 H new ATOM 0 HG23 VAL B 133 -12.707 39.634 34.957 1.00 33.92 H new ATOM 1058 N LYS B 134 -13.230 41.790 30.736 1.00 28.97 N ATOM 1059 CA LYS B 134 -13.685 42.402 29.455 1.00 29.39 C ATOM 1060 C LYS B 134 -13.183 41.633 28.240 1.00 25.02 C ATOM 1061 O LYS B 134 -13.979 41.338 27.285 1.00 24.37 O ATOM 1062 CB LYS B 134 -13.132 43.846 29.558 1.00 34.34 C ATOM 1063 CG LYS B 134 -13.066 44.558 28.264 1.00 57.87 C ATOM 1064 CD LYS B 134 -12.788 46.066 28.407 1.00 70.51 C ATOM 1065 CE LYS B 134 -12.494 46.621 26.995 1.00 74.08 C ATOM 1066 NZ LYS B 134 -11.353 45.867 26.377 1.00 55.94 N ATOM 0 H LYS B 134 -12.818 42.303 31.290 1.00 28.97 H new ATOM 0 HA LYS B 134 -14.647 42.386 29.331 1.00 29.39 H new ATOM 0 HB2 LYS B 134 -13.690 44.353 30.168 1.00 34.34 H new ATOM 0 HB3 LYS B 134 -12.243 43.815 29.946 1.00 34.34 H new ATOM 0 HG2 LYS B 134 -12.371 44.158 27.718 1.00 57.87 H new ATOM 0 HG3 LYS B 134 -13.904 44.434 27.792 1.00 57.87 H new ATOM 0 HD2 LYS B 134 -13.552 46.518 28.799 1.00 70.51 H new ATOM 0 HD3 LYS B 134 -12.034 46.219 28.998 1.00 70.51 H new ATOM 0 HE2 LYS B 134 -13.284 46.543 26.437 1.00 74.08 H new ATOM 0 HE3 LYS B 134 -12.277 47.565 27.049 1.00 74.08 H new ATOM 0 HZ1 LYS B 134 -10.936 46.389 25.789 1.00 55.94 H new ATOM 0 HZ2 LYS B 134 -10.781 45.620 27.013 1.00 55.94 H new ATOM 0 HZ3 LYS B 134 -11.665 45.144 25.962 1.00 55.94 H new ATOM 1067 N GLY B 135 -11.949 41.204 28.235 1.00 21.73 N ATOM 1068 CA GLY B 135 -11.270 40.564 27.071 1.00 26.20 C ATOM 1069 C GLY B 135 -11.910 39.145 26.889 1.00 26.89 C ATOM 1070 O GLY B 135 -12.253 38.746 25.919 1.00 26.53 O ATOM 0 H GLY B 135 -11.439 41.267 28.925 1.00 21.73 H new ATOM 0 HA2 GLY B 135 -11.387 41.098 26.270 1.00 26.20 H new ATOM 0 HA3 GLY B 135 -10.315 40.492 27.228 1.00 26.20 H new ATOM 1071 N MET B 136 -12.141 38.407 28.019 1.00 23.74 N ATOM 1072 CA MET B 136 -12.877 37.146 27.980 1.00 31.12 C ATOM 1073 C MET B 136 -14.230 37.194 27.376 1.00 27.02 C ATOM 1074 O MET B 136 -14.508 36.389 26.416 1.00 30.28 O ATOM 1075 CB MET B 136 -13.181 36.676 29.471 1.00 20.92 C ATOM 1076 CG MET B 136 -13.903 35.323 29.490 1.00 17.75 C ATOM 1077 SD MET B 136 -14.552 35.122 31.270 1.00 22.16 S ATOM 1078 CE MET B 136 -15.985 36.141 31.064 1.00 28.31 C ATOM 0 H MET B 136 -11.873 38.636 28.803 1.00 23.74 H new ATOM 0 HA MET B 136 -12.304 36.572 27.449 1.00 31.12 H new ATOM 0 HB2 MET B 136 -12.350 36.609 29.967 1.00 20.92 H new ATOM 0 HB3 MET B 136 -13.726 37.342 29.918 1.00 20.92 H new ATOM 0 HG2 MET B 136 -14.630 35.306 28.848 1.00 17.75 H new ATOM 0 HG3 MET B 136 -13.299 34.601 29.254 1.00 17.75 H new ATOM 0 HE1 MET B 136 -16.227 36.536 31.916 1.00 28.31 H new ATOM 0 HE2 MET B 136 -15.793 36.845 30.425 1.00 28.31 H new ATOM 0 HE3 MET B 136 -16.722 35.601 30.737 1.00 28.31 H new ATOM 1079 N PHE B 137 -15.027 38.242 27.645 1.00 23.23 N ATOM 1080 CA PHE B 137 -16.338 38.453 26.959 1.00 23.37 C ATOM 1081 C PHE B 137 -16.170 38.747 25.470 1.00 19.82 C ATOM 1082 O PHE B 137 -17.083 38.406 24.770 1.00 24.89 O ATOM 1083 CB PHE B 137 -17.100 39.603 27.646 1.00 21.04 C ATOM 1084 CG PHE B 137 -17.697 39.264 28.992 1.00 28.24 C ATOM 1085 CD1 PHE B 137 -18.229 38.026 29.298 1.00 36.80 C ATOM 1086 CD2 PHE B 137 -17.817 40.292 29.950 1.00 31.97 C ATOM 1087 CE1 PHE B 137 -18.776 37.773 30.566 1.00 34.35 C ATOM 1088 CE2 PHE B 137 -18.344 40.058 31.201 1.00 30.03 C ATOM 1089 CZ PHE B 137 -18.877 38.820 31.459 1.00 30.98 C ATOM 0 H PHE B 137 -14.833 38.849 28.222 1.00 23.23 H new ATOM 0 HA PHE B 137 -16.846 37.630 27.032 1.00 23.37 H new ATOM 0 HB2 PHE B 137 -16.495 40.353 27.756 1.00 21.04 H new ATOM 0 HB3 PHE B 137 -17.812 39.898 27.057 1.00 21.04 H new ATOM 0 HD1 PHE B 137 -18.225 37.353 28.657 1.00 36.80 H new ATOM 0 HD2 PHE B 137 -17.533 41.150 29.731 1.00 31.97 H new ATOM 0 HE1 PHE B 137 -19.064 36.920 30.799 1.00 34.35 H new ATOM 0 HE2 PHE B 137 -18.339 40.721 31.853 1.00 30.03 H new ATOM 0 HZ PHE B 137 -19.322 38.682 32.264 1.00 30.98 H new ATOM 1090 N GLU B 138 -15.159 39.665 25.222 1.00 27.28 N ATOM 1091 CA GLU B 138 -14.970 40.019 23.873 1.00 24.10 C ATOM 1092 C GLU B 138 -14.734 38.751 23.004 1.00 25.72 C ATOM 1093 O GLU B 138 -15.151 38.758 21.848 1.00 26.95 O ATOM 1094 CB GLU B 138 -13.744 40.947 23.587 1.00 32.60 C ATOM 1095 CG GLU B 138 -13.895 42.210 24.470 1.00 41.53 C ATOM 1096 CD GLU B 138 -12.685 43.138 24.316 1.00 55.15 C ATOM 1097 OE1 GLU B 138 -11.926 42.848 23.317 1.00 47.83 O ATOM 1098 OE2 GLU B 138 -12.668 44.074 25.161 1.00 46.42 O ATOM 0 H GLU B 138 -14.643 40.035 25.802 1.00 27.28 H new ATOM 0 HA GLU B 138 -15.783 40.500 23.653 1.00 24.10 H new ATOM 0 HB2 GLU B 138 -12.914 40.487 23.789 1.00 32.60 H new ATOM 0 HB3 GLU B 138 -13.712 41.190 22.648 1.00 32.60 H new ATOM 0 HG2 GLU B 138 -14.704 42.685 24.224 1.00 41.53 H new ATOM 0 HG3 GLU B 138 -13.990 41.949 25.399 1.00 41.53 H new ATOM 1099 N VAL B 139 -13.960 37.842 23.518 1.00 28.07 N ATOM 1100 CA VAL B 139 -13.722 36.587 22.835 1.00 26.16 C ATOM 1101 C VAL B 139 -14.955 35.714 22.735 1.00 28.85 C ATOM 1102 O VAL B 139 -15.148 35.170 21.648 1.00 25.29 O ATOM 1103 CB VAL B 139 -12.553 35.783 23.481 1.00 25.52 C ATOM 1104 CG1 VAL B 139 -12.480 34.389 22.815 1.00 28.18 C ATOM 1105 CG2 VAL B 139 -11.203 36.518 23.304 1.00 24.86 C ATOM 0 H VAL B 139 -13.553 37.923 24.271 1.00 28.07 H new ATOM 0 HA VAL B 139 -13.470 36.836 21.932 1.00 26.16 H new ATOM 0 HB VAL B 139 -12.721 35.694 24.432 1.00 25.52 H new ATOM 0 HG11 VAL B 139 -11.755 33.879 23.210 1.00 28.18 H new ATOM 0 HG12 VAL B 139 -13.318 33.920 22.953 1.00 28.18 H new ATOM 0 HG13 VAL B 139 -12.321 34.493 21.864 1.00 28.18 H new ATOM 0 HG21 VAL B 139 -10.495 35.997 23.714 1.00 24.86 H new ATOM 0 HG22 VAL B 139 -11.016 36.629 22.359 1.00 24.86 H new ATOM 0 HG23 VAL B 139 -11.250 37.389 23.728 1.00 24.86 H new ATOM 1106 N LEU B 140 -15.713 35.473 23.808 1.00 24.93 N ATOM 1107 CA LEU B 140 -16.815 34.525 23.848 1.00 26.02 C ATOM 1108 C LEU B 140 -18.054 35.086 23.140 1.00 26.82 C ATOM 1109 O LEU B 140 -18.826 34.294 22.586 1.00 26.21 O ATOM 1110 CB LEU B 140 -17.213 34.333 25.387 1.00 24.94 C ATOM 1111 CG LEU B 140 -16.189 33.530 26.253 1.00 26.15 C ATOM 1112 CD1 LEU B 140 -16.691 33.672 27.718 1.00 27.22 C ATOM 1113 CD2 LEU B 140 -16.111 32.071 25.802 1.00 32.61 C ATOM 0 H LEU B 140 -15.590 35.875 24.558 1.00 24.93 H new ATOM 0 HA LEU B 140 -16.541 33.701 23.415 1.00 26.02 H new ATOM 0 HB2 LEU B 140 -17.332 35.209 25.785 1.00 24.94 H new ATOM 0 HB3 LEU B 140 -18.071 33.883 25.429 1.00 24.94 H new ATOM 0 HG LEU B 140 -15.285 33.870 26.162 1.00 26.15 H new ATOM 0 HD11 LEU B 140 -16.094 33.192 28.313 1.00 27.22 H new ATOM 0 HD12 LEU B 140 -16.708 34.610 27.965 1.00 27.22 H new ATOM 0 HD13 LEU B 140 -17.585 33.303 27.791 1.00 27.22 H new ATOM 0 HD21 LEU B 140 -15.470 31.595 26.354 1.00 32.61 H new ATOM 0 HD22 LEU B 140 -16.984 31.657 25.891 1.00 32.61 H new ATOM 0 HD23 LEU B 140 -15.829 32.033 24.875 1.00 32.61 H new ATOM 1114 N GLU B 141 -18.273 36.415 23.060 1.00 25.64 N ATOM 1115 CA GLU B 141 -19.591 36.861 22.483 1.00 31.50 C ATOM 1116 C GLU B 141 -19.842 36.481 21.020 1.00 29.94 C ATOM 1117 O GLU B 141 -20.929 35.970 20.673 1.00 25.01 O ATOM 1118 CB GLU B 141 -19.719 38.423 22.731 1.00 31.32 C ATOM 1119 CG GLU B 141 -20.970 38.982 22.050 1.00 57.17 C ATOM 1120 CD GLU B 141 -21.182 40.448 22.387 1.00 74.98 C ATOM 1121 OE1 GLU B 141 -20.236 41.265 22.292 1.00 73.80 O ATOM 1122 OE2 GLU B 141 -22.333 40.780 22.760 1.00 77.99 O ATOM 0 H GLU B 141 -17.732 37.036 23.307 1.00 25.64 H new ATOM 0 HA GLU B 141 -20.291 36.372 22.944 1.00 31.50 H new ATOM 0 HB2 GLU B 141 -19.758 38.601 23.684 1.00 31.32 H new ATOM 0 HB3 GLU B 141 -18.931 38.874 22.390 1.00 31.32 H new ATOM 0 HG2 GLU B 141 -20.890 38.878 21.089 1.00 57.17 H new ATOM 0 HG3 GLU B 141 -21.746 38.470 22.327 1.00 57.17 H new ATOM 1123 N PRO B 142 -18.847 36.557 20.105 1.00 29.79 N ATOM 1124 CA PRO B 142 -19.007 36.222 18.710 1.00 36.42 C ATOM 1125 C PRO B 142 -19.146 34.701 18.530 1.00 33.29 C ATOM 1126 O PRO B 142 -19.776 34.227 17.623 1.00 30.38 O ATOM 1127 CB PRO B 142 -17.777 36.735 17.979 1.00 34.61 C ATOM 1128 CG PRO B 142 -16.723 36.890 19.021 1.00 37.50 C ATOM 1129 CD PRO B 142 -17.506 37.120 20.311 1.00 31.71 C ATOM 0 HA PRO B 142 -19.812 36.629 18.353 1.00 36.42 H new ATOM 0 HB2 PRO B 142 -17.497 36.113 17.290 1.00 34.61 H new ATOM 0 HB3 PRO B 142 -17.960 37.581 17.540 1.00 34.61 H new ATOM 0 HG2 PRO B 142 -16.165 36.099 19.081 1.00 37.50 H new ATOM 0 HG3 PRO B 142 -16.136 37.637 18.824 1.00 37.50 H new ATOM 0 HD2 PRO B 142 -17.065 36.691 21.061 1.00 31.71 H new ATOM 0 HD3 PRO B 142 -17.559 38.067 20.516 1.00 31.71 H new ATOM 1130 N LEU B 143 -18.524 33.932 19.529 1.00 27.43 N ATOM 1131 CA LEU B 143 -18.726 32.493 19.382 1.00 28.58 C ATOM 1132 C LEU B 143 -20.155 32.106 19.648 1.00 29.19 C ATOM 1133 O LEU B 143 -20.762 31.298 18.848 1.00 28.66 O ATOM 1134 CB LEU B 143 -17.771 31.712 20.327 1.00 26.19 C ATOM 1135 CG LEU B 143 -16.301 32.054 19.968 1.00 31.45 C ATOM 1136 CD1 LEU B 143 -15.249 31.565 20.994 1.00 30.59 C ATOM 1137 CD2 LEU B 143 -15.885 31.378 18.677 1.00 38.03 C ATOM 0 H LEU B 143 -18.054 34.209 20.194 1.00 27.43 H new ATOM 0 HA LEU B 143 -18.521 32.259 18.463 1.00 28.58 H new ATOM 0 HB2 LEU B 143 -17.952 31.945 21.251 1.00 26.19 H new ATOM 0 HB3 LEU B 143 -17.922 30.758 20.240 1.00 26.19 H new ATOM 0 HG LEU B 143 -16.307 33.023 19.927 1.00 31.45 H new ATOM 0 HD11 LEU B 143 -14.362 31.819 20.694 1.00 30.59 H new ATOM 0 HD12 LEU B 143 -15.426 31.970 21.857 1.00 30.59 H new ATOM 0 HD13 LEU B 143 -15.299 30.600 21.074 1.00 30.59 H new ATOM 0 HD21 LEU B 143 -14.964 31.606 18.474 1.00 38.03 H new ATOM 0 HD22 LEU B 143 -15.965 30.416 18.775 1.00 38.03 H new ATOM 0 HD23 LEU B 143 -16.459 31.678 17.955 1.00 38.03 H new ATOM 1138 N HIS B 144 -20.706 32.637 20.752 1.00 23.52 N ATOM 1139 CA HIS B 144 -22.098 32.376 20.980 1.00 23.47 C ATOM 1140 C HIS B 144 -22.998 32.930 19.823 1.00 24.08 C ATOM 1141 O HIS B 144 -24.031 32.364 19.459 1.00 28.46 O ATOM 1142 CB HIS B 144 -22.587 32.965 22.316 1.00 20.28 C ATOM 1143 CG HIS B 144 -22.015 32.088 23.461 1.00 24.83 C ATOM 1144 ND1 HIS B 144 -22.517 30.838 23.784 1.00 20.63 N ATOM 1145 CD2 HIS B 144 -21.053 32.448 24.352 1.00 24.26 C ATOM 1146 CE1 HIS B 144 -21.807 30.391 24.844 1.00 21.91 C ATOM 1147 NE2 HIS B 144 -20.912 31.329 25.198 1.00 22.72 N ATOM 0 H HIS B 144 -20.304 33.121 21.339 1.00 23.52 H new ATOM 0 HA HIS B 144 -22.181 31.410 21.011 1.00 23.47 H new ATOM 0 HB2 HIS B 144 -22.290 33.884 22.411 1.00 20.28 H new ATOM 0 HB3 HIS B 144 -23.556 32.975 22.348 1.00 20.28 H new ATOM 0 HD1 HIS B 144 -23.158 30.425 23.386 1.00 20.63 H new ATOM 0 HD2 HIS B 144 -20.591 33.254 24.394 1.00 24.26 H new ATOM 0 HE1 HIS B 144 -21.920 29.567 25.261 1.00 21.91 H new ATOM 1148 N ALA B 145 -22.640 34.055 19.345 1.00 29.28 N ATOM 1149 CA ALA B 145 -23.552 34.685 18.272 1.00 33.73 C ATOM 1150 C ALA B 145 -23.538 33.800 17.057 1.00 28.26 C ATOM 1151 O ALA B 145 -24.606 33.776 16.407 1.00 30.49 O ATOM 1152 CB ALA B 145 -23.099 36.073 17.936 1.00 31.39 C ATOM 0 H ALA B 145 -21.937 34.500 19.562 1.00 29.28 H new ATOM 0 HA ALA B 145 -24.458 34.756 18.610 1.00 33.73 H new ATOM 0 HB1 ALA B 145 -23.685 36.450 17.261 1.00 31.39 H new ATOM 0 HB2 ALA B 145 -23.128 36.625 18.733 1.00 31.39 H new ATOM 0 HB3 ALA B 145 -22.191 36.044 17.596 1.00 31.39 H new ATOM 1153 N MET B 146 -22.412 33.188 16.725 1.00 26.84 N ATOM 1154 CA MET B 146 -22.563 32.141 15.661 1.00 33.09 C ATOM 1155 C MET B 146 -23.439 30.999 16.003 1.00 37.31 C ATOM 1156 O MET B 146 -24.255 30.574 15.129 1.00 42.38 O ATOM 1157 CB MET B 146 -21.129 31.997 15.288 1.00 42.35 C ATOM 1158 CG MET B 146 -20.829 30.893 14.248 1.00 65.63 C ATOM 1159 SD MET B 146 -19.169 30.417 14.759 1.00 79.24 S ATOM 1160 CE MET B 146 -19.560 29.270 16.106 1.00 83.57 C ATOM 0 H MET B 146 -21.626 33.324 17.046 1.00 26.84 H new ATOM 0 HA MET B 146 -23.099 32.335 14.877 1.00 33.09 H new ATOM 0 HB2 MET B 146 -20.813 32.845 14.939 1.00 42.35 H new ATOM 0 HB3 MET B 146 -20.617 31.813 16.091 1.00 42.35 H new ATOM 0 HG2 MET B 146 -21.458 30.156 14.299 1.00 65.63 H new ATOM 0 HG3 MET B 146 -20.855 31.226 13.337 1.00 65.63 H new ATOM 0 HE1 MET B 146 -19.144 29.579 16.926 1.00 83.57 H new ATOM 0 HE2 MET B 146 -20.521 29.229 16.228 1.00 83.57 H new ATOM 0 HE3 MET B 146 -19.225 28.387 15.887 1.00 83.57 H new ATOM 1161 N MET B 147 -23.451 30.363 17.167 1.00 33.07 N ATOM 1162 CA MET B 147 -24.434 29.347 17.491 1.00 33.61 C ATOM 1163 C MET B 147 -25.840 29.930 17.333 1.00 45.57 C ATOM 1164 O MET B 147 -26.695 29.238 16.808 1.00 37.65 O ATOM 1165 CB MET B 147 -24.346 28.693 18.868 1.00 30.88 C ATOM 1166 CG MET B 147 -22.878 28.504 19.212 1.00 26.56 C ATOM 1167 SD MET B 147 -22.176 27.237 18.123 1.00 30.91 S ATOM 1168 CE MET B 147 -23.130 25.844 18.727 1.00 30.17 C ATOM 0 H MET B 147 -22.883 30.512 17.795 1.00 33.07 H new ATOM 0 HA MET B 147 -24.234 28.635 16.864 1.00 33.61 H new ATOM 0 HB2 MET B 147 -24.781 29.248 19.534 1.00 30.88 H new ATOM 0 HB3 MET B 147 -24.806 27.839 18.867 1.00 30.88 H new ATOM 0 HG2 MET B 147 -22.398 29.340 19.106 1.00 26.56 H new ATOM 0 HG3 MET B 147 -22.783 28.238 20.140 1.00 26.56 H new ATOM 0 HE1 MET B 147 -22.611 25.030 18.630 1.00 30.17 H new ATOM 0 HE2 MET B 147 -23.345 25.980 19.663 1.00 30.17 H new ATOM 0 HE3 MET B 147 -23.950 25.767 18.215 1.00 30.17 H new ATOM 1169 N GLU B 148 -26.049 31.155 17.844 1.00 40.66 N ATOM 1170 CA GLU B 148 -27.377 31.763 17.695 1.00 54.52 C ATOM 1171 C GLU B 148 -27.866 31.775 16.250 1.00 44.61 C ATOM 1172 O GLU B 148 -29.061 31.541 15.943 1.00 44.95 O ATOM 1173 CB GLU B 148 -27.399 33.191 18.269 1.00 59.48 C ATOM 1174 CG GLU B 148 -28.476 34.107 17.715 1.00 66.34 C ATOM 1175 CD GLU B 148 -28.338 35.573 18.072 1.00 74.83 C ATOM 1176 OE1 GLU B 148 -27.370 36.048 18.699 1.00 59.47 O ATOM 1177 OE2 GLU B 148 -29.290 36.305 17.702 1.00 75.24 O ATOM 0 H GLU B 148 -25.464 31.629 18.260 1.00 40.66 H new ATOM 0 HA GLU B 148 -27.987 31.204 18.201 1.00 54.52 H new ATOM 0 HB2 GLU B 148 -27.510 33.134 19.231 1.00 59.48 H new ATOM 0 HB3 GLU B 148 -26.535 33.600 18.107 1.00 59.48 H new ATOM 0 HG2 GLU B 148 -28.481 34.025 16.748 1.00 66.34 H new ATOM 0 HG3 GLU B 148 -29.338 33.794 18.031 1.00 66.34 H new ATOM 1178 N ARG B 149 -26.980 32.057 15.332 1.00 41.00 N ATOM 1179 CA ARG B 149 -27.436 32.064 13.928 1.00 58.65 C ATOM 1180 C ARG B 149 -27.868 30.673 13.485 1.00 58.19 C ATOM 1181 O ARG B 149 -28.613 30.645 12.528 1.00 56.57 O ATOM 1182 CB ARG B 149 -26.402 32.520 12.919 1.00 69.46 C ATOM 1183 CG ARG B 149 -25.305 33.431 13.336 1.00 82.62 C ATOM 1184 CD ARG B 149 -25.362 34.880 12.921 1.00 88.40 C ATOM 1185 NE ARG B 149 -26.063 35.723 13.899 1.00 91.25 N ATOM 1186 CZ ARG B 149 -27.397 35.818 13.919 1.00 82.38 C ATOM 1187 NH1 ARG B 149 -28.073 35.109 13.004 1.00 72.14 N ATOM 1188 NH2 ARG B 149 -27.998 36.599 14.821 1.00 73.14 N ATOM 0 H ARG B 149 -26.151 32.240 15.466 1.00 41.00 H new ATOM 0 HA ARG B 149 -28.167 32.702 13.934 1.00 58.65 H new ATOM 0 HB2 ARG B 149 -25.990 31.724 12.549 1.00 69.46 H new ATOM 0 HB3 ARG B 149 -26.879 32.956 12.195 1.00 69.46 H new ATOM 0 HG2 ARG B 149 -25.255 33.405 14.304 1.00 82.62 H new ATOM 0 HG3 ARG B 149 -24.474 33.062 12.999 1.00 82.62 H new ATOM 0 HD2 ARG B 149 -24.459 35.214 12.800 1.00 88.40 H new ATOM 0 HD3 ARG B 149 -25.807 34.949 12.062 1.00 88.40 H new ATOM 0 HE ARG B 149 -25.603 36.167 14.474 1.00 91.25 H new ATOM 0 HH11 ARG B 149 -27.648 34.621 12.438 1.00 72.14 H new ATOM 0 HH12 ARG B 149 -28.932 35.142 12.983 1.00 72.14 H new ATOM 0 HH21 ARG B 149 -27.527 37.041 15.389 1.00 73.14 H new ATOM 0 HH22 ARG B 149 -28.856 36.660 14.834 1.00 73.14 H new ATOM 1189 N GLY B 150 -27.290 29.580 13.956 1.00 53.21 N ATOM 1190 CA GLY B 150 -27.753 28.241 13.593 1.00 37.28 C ATOM 1191 C GLY B 150 -26.758 27.494 12.731 1.00 40.40 C ATOM 1192 O GLY B 150 -25.969 28.128 12.029 1.00 34.42 O ATOM 0 H GLY B 150 -26.619 29.588 14.494 1.00 53.21 H new ATOM 0 HA2 GLY B 150 -27.923 27.731 14.401 1.00 37.28 H new ATOM 0 HA3 GLY B 150 -28.597 28.312 13.120 1.00 37.28 H new ATOM 1193 N PRO B 151 -26.698 26.149 12.742 1.00 38.93 N ATOM 1194 CA PRO B 151 -25.778 25.402 11.962 1.00 35.44 C ATOM 1195 C PRO B 151 -26.123 25.449 10.479 1.00 33.67 C ATOM 1196 O PRO B 151 -27.312 25.478 10.102 1.00 38.07 O ATOM 1197 CB PRO B 151 -25.987 23.958 12.592 1.00 33.50 C ATOM 1198 CG PRO B 151 -27.370 23.912 13.105 1.00 33.70 C ATOM 1199 CD PRO B 151 -27.718 25.312 13.480 1.00 40.63 C ATOM 0 HA PRO B 151 -24.862 25.721 11.987 1.00 35.44 H new ATOM 0 HB2 PRO B 151 -25.844 23.268 11.925 1.00 33.50 H new ATOM 0 HB3 PRO B 151 -25.350 23.799 13.306 1.00 33.50 H new ATOM 0 HG2 PRO B 151 -27.979 23.572 12.431 1.00 33.70 H new ATOM 0 HG3 PRO B 151 -27.436 23.321 13.871 1.00 33.70 H new ATOM 0 HD2 PRO B 151 -28.623 25.537 13.213 1.00 40.63 H new ATOM 0 HD3 PRO B 151 -27.663 25.448 14.439 1.00 40.63 H new ATOM 1200 N GLN B 152 -25.199 25.529 9.578 1.00 34.06 N ATOM 1201 CA GLN B 152 -25.443 25.469 8.143 1.00 49.45 C ATOM 1202 C GLN B 152 -24.690 24.351 7.389 1.00 44.74 C ATOM 1203 O GLN B 152 -24.676 24.278 6.252 1.00 43.81 O ATOM 1204 CB GLN B 152 -24.891 26.730 7.484 1.00 63.12 C ATOM 1205 CG GLN B 152 -25.343 28.036 8.071 1.00 76.62 C ATOM 1206 CD GLN B 152 -25.001 29.152 7.059 1.00 73.24 C ATOM 1207 OE1 GLN B 152 -23.895 29.217 6.514 1.00 57.39 O ATOM 1208 NE2 GLN B 152 -26.115 29.856 7.000 1.00 55.29 N ATOM 0 H GLN B 152 -24.367 25.624 9.775 1.00 34.06 H new ATOM 0 HA GLN B 152 -26.402 25.334 8.082 1.00 49.45 H new ATOM 0 HB2 GLN B 152 -23.922 26.696 7.525 1.00 63.12 H new ATOM 0 HB3 GLN B 152 -25.136 26.716 6.546 1.00 63.12 H new ATOM 0 HG2 GLN B 152 -26.297 28.018 8.247 1.00 76.62 H new ATOM 0 HG3 GLN B 152 -24.901 28.199 8.919 1.00 76.62 H new ATOM 0 HE21 GLN B 152 -26.792 29.631 7.480 1.00 55.29 H new ATOM 0 HE22 GLN B 152 -26.164 30.540 6.481 1.00 55.29 H new ATOM 1209 N THR B 153 -23.901 23.530 8.137 1.00 32.28 N ATOM 1210 CA THR B 153 -23.325 22.332 7.570 1.00 26.85 C ATOM 1211 C THR B 153 -23.662 21.099 8.408 1.00 29.46 C ATOM 1212 O THR B 153 -24.194 21.165 9.575 1.00 29.63 O ATOM 1213 CB THR B 153 -21.834 22.281 7.336 1.00 29.96 C ATOM 1214 OG1 THR B 153 -21.194 22.374 8.742 1.00 28.42 O ATOM 1215 CG2 THR B 153 -21.229 23.528 6.601 1.00 36.06 C ATOM 0 H THR B 153 -23.704 23.668 8.963 1.00 32.28 H new ATOM 0 HA THR B 153 -23.737 22.345 6.692 1.00 26.85 H new ATOM 0 HB THR B 153 -21.666 21.487 6.805 1.00 29.96 H new ATOM 0 HG1 THR B 153 -20.357 22.349 8.671 1.00 28.42 H new ATOM 0 HG21 THR B 153 -20.272 23.409 6.495 1.00 36.06 H new ATOM 0 HG22 THR B 153 -21.642 23.621 5.728 1.00 36.06 H new ATOM 0 HG23 THR B 153 -21.398 24.326 7.125 1.00 36.06 H new ATOM 1216 N LEU B 154 -23.496 19.924 7.828 1.00 30.80 N ATOM 1217 CA LEU B 154 -23.716 18.671 8.655 1.00 30.52 C ATOM 1218 C LEU B 154 -22.756 18.700 9.899 1.00 26.19 C ATOM 1219 O LEU B 154 -23.215 18.317 10.978 1.00 27.61 O ATOM 1220 CB LEU B 154 -23.376 17.409 7.870 1.00 29.93 C ATOM 1221 CG LEU B 154 -24.323 17.117 6.665 1.00 31.93 C ATOM 1222 CD1 LEU B 154 -23.808 16.006 5.778 1.00 38.60 C ATOM 1223 CD2 LEU B 154 -25.732 16.924 7.120 1.00 38.70 C ATOM 0 H LEU B 154 -23.270 19.798 7.008 1.00 30.80 H new ATOM 0 HA LEU B 154 -24.651 18.655 8.911 1.00 30.52 H new ATOM 0 HB2 LEU B 154 -22.467 17.483 7.541 1.00 29.93 H new ATOM 0 HB3 LEU B 154 -23.398 16.651 8.474 1.00 29.93 H new ATOM 0 HG LEU B 154 -24.328 17.902 6.096 1.00 31.93 H new ATOM 0 HD11 LEU B 154 -24.428 15.862 5.046 1.00 38.60 H new ATOM 0 HD12 LEU B 154 -22.940 16.252 5.422 1.00 38.60 H new ATOM 0 HD13 LEU B 154 -23.725 15.190 6.296 1.00 38.60 H new ATOM 0 HD21 LEU B 154 -26.298 16.744 6.353 1.00 38.70 H new ATOM 0 HD22 LEU B 154 -25.774 16.175 7.735 1.00 38.70 H new ATOM 0 HD23 LEU B 154 -26.040 17.727 7.568 1.00 38.70 H new ATOM 1224 N LYS B 155 -21.486 19.036 9.759 1.00 30.18 N ATOM 1225 CA LYS B 155 -20.484 19.122 10.798 1.00 25.81 C ATOM 1226 C LYS B 155 -20.837 20.222 11.814 1.00 34.09 C ATOM 1227 O LYS B 155 -20.657 20.032 13.090 1.00 28.99 O ATOM 1228 CB LYS B 155 -19.070 19.299 10.406 1.00 27.86 C ATOM 1229 CG LYS B 155 -18.495 17.956 9.896 1.00 35.57 C ATOM 1230 CD LYS B 155 -16.969 18.333 9.710 1.00 35.29 C ATOM 1231 CE LYS B 155 -16.187 17.167 9.058 1.00 43.54 C ATOM 1232 NZ LYS B 155 -16.643 17.138 7.584 1.00 50.36 N ATOM 0 H LYS B 155 -21.163 19.236 8.988 1.00 30.18 H new ATOM 0 HA LYS B 155 -20.524 18.227 11.171 1.00 25.81 H new ATOM 0 HB2 LYS B 155 -19.000 19.974 9.713 1.00 27.86 H new ATOM 0 HB3 LYS B 155 -18.553 19.615 11.163 1.00 27.86 H new ATOM 0 HG2 LYS B 155 -18.620 17.237 10.535 1.00 35.57 H new ATOM 0 HG3 LYS B 155 -18.907 17.672 9.065 1.00 35.57 H new ATOM 0 HD2 LYS B 155 -16.893 19.127 9.158 1.00 35.29 H new ATOM 0 HD3 LYS B 155 -16.578 18.548 10.571 1.00 35.29 H new ATOM 0 HE2 LYS B 155 -15.230 17.308 9.125 1.00 43.54 H new ATOM 0 HE3 LYS B 155 -16.381 16.326 9.500 1.00 43.54 H new ATOM 0 HZ1 LYS B 155 -16.105 16.605 7.117 1.00 50.36 H new ATOM 0 HZ2 LYS B 155 -17.477 16.831 7.537 1.00 50.36 H new ATOM 0 HZ3 LYS B 155 -16.611 17.961 7.247 1.00 50.36 H new ATOM 1233 N GLU B 156 -21.465 21.250 11.375 1.00 31.26 N ATOM 1234 CA GLU B 156 -21.901 22.320 12.306 1.00 27.38 C ATOM 1235 C GLU B 156 -23.076 21.771 13.114 1.00 28.95 C ATOM 1236 O GLU B 156 -23.298 22.025 14.262 1.00 23.82 O ATOM 1237 CB GLU B 156 -22.269 23.682 11.665 1.00 23.90 C ATOM 1238 CG GLU B 156 -20.975 24.433 11.192 1.00 23.72 C ATOM 1239 CD GLU B 156 -21.340 25.612 10.308 1.00 33.39 C ATOM 1240 OE1 GLU B 156 -22.571 25.893 10.128 1.00 32.77 O ATOM 1241 OE2 GLU B 156 -20.357 26.259 9.864 1.00 25.04 O ATOM 0 H GLU B 156 -21.667 21.383 10.550 1.00 31.26 H new ATOM 0 HA GLU B 156 -21.133 22.537 12.858 1.00 27.38 H new ATOM 0 HB2 GLU B 156 -22.862 23.541 10.910 1.00 23.90 H new ATOM 0 HB3 GLU B 156 -22.751 24.228 12.306 1.00 23.90 H new ATOM 0 HG2 GLU B 156 -20.474 24.742 11.963 1.00 23.72 H new ATOM 0 HG3 GLU B 156 -20.399 23.822 10.705 1.00 23.72 H new ATOM 1242 N THR B 157 -23.933 20.989 12.365 1.00 25.96 N ATOM 1243 CA THR B 157 -25.178 20.504 13.009 1.00 30.59 C ATOM 1244 C THR B 157 -24.816 19.461 14.122 1.00 22.07 C ATOM 1245 O THR B 157 -25.461 19.436 15.162 1.00 24.50 O ATOM 1246 CB THR B 157 -26.083 19.770 11.991 1.00 39.10 C ATOM 1247 OG1 THR B 157 -26.598 20.796 11.111 1.00 35.61 O ATOM 1248 CG2 THR B 157 -27.281 18.968 12.547 1.00 25.50 C ATOM 0 H THR B 157 -23.813 20.752 11.547 1.00 25.96 H new ATOM 0 HA THR B 157 -25.639 21.276 13.372 1.00 30.59 H new ATOM 0 HB THR B 157 -25.527 19.093 11.574 1.00 39.10 H new ATOM 0 HG1 THR B 157 -25.997 21.031 10.573 1.00 35.61 H new ATOM 0 HG21 THR B 157 -27.765 18.558 11.813 1.00 25.50 H new ATOM 0 HG22 THR B 157 -26.958 18.277 13.146 1.00 25.50 H new ATOM 0 HG23 THR B 157 -27.873 19.564 13.031 1.00 25.50 H new ATOM 1249 N SER B 158 -23.867 18.626 13.785 1.00 21.62 N ATOM 1250 CA SER B 158 -23.574 17.535 14.812 1.00 32.16 C ATOM 1251 C SER B 158 -22.824 18.226 15.985 1.00 31.57 C ATOM 1252 O SER B 158 -23.081 17.825 17.101 1.00 22.99 O ATOM 1253 CB SER B 158 -22.860 16.375 14.163 1.00 27.19 C ATOM 1254 OG SER B 158 -21.613 16.838 13.651 1.00 27.33 O ATOM 0 H SER B 158 -23.402 18.628 13.062 1.00 21.62 H new ATOM 0 HA SER B 158 -24.374 17.126 15.177 1.00 32.16 H new ATOM 0 HB2 SER B 158 -22.716 15.665 14.808 1.00 27.19 H new ATOM 0 HB3 SER B 158 -23.401 16.004 13.448 1.00 27.19 H new ATOM 0 HG SER B 158 -21.205 16.200 13.288 1.00 27.33 H new ATOM 1255 N PHE B 159 -21.970 19.239 15.747 1.00 18.78 N ATOM 1256 CA PHE B 159 -21.363 19.968 16.867 1.00 25.58 C ATOM 1257 C PHE B 159 -22.465 20.642 17.703 1.00 26.82 C ATOM 1258 O PHE B 159 -22.486 20.486 18.936 1.00 23.37 O ATOM 1259 CB PHE B 159 -20.361 20.991 16.341 1.00 23.09 C ATOM 1260 CG PHE B 159 -19.774 21.813 17.480 1.00 27.61 C ATOM 1261 CD1 PHE B 159 -20.446 22.886 18.055 1.00 28.42 C ATOM 1262 CD2 PHE B 159 -18.523 21.469 17.941 1.00 31.86 C ATOM 1263 CE1 PHE B 159 -19.836 23.591 19.100 1.00 25.68 C ATOM 1264 CE2 PHE B 159 -17.867 22.167 18.951 1.00 31.35 C ATOM 1265 CZ PHE B 159 -18.576 23.221 19.527 1.00 27.08 C ATOM 0 H PHE B 159 -21.737 19.510 14.965 1.00 18.78 H new ATOM 0 HA PHE B 159 -20.884 19.348 17.439 1.00 25.58 H new ATOM 0 HB2 PHE B 159 -19.649 20.536 15.865 1.00 23.09 H new ATOM 0 HB3 PHE B 159 -20.797 21.579 15.705 1.00 23.09 H new ATOM 0 HD1 PHE B 159 -21.289 23.132 17.750 1.00 28.42 H new ATOM 0 HD2 PHE B 159 -18.096 20.736 17.560 1.00 31.86 H new ATOM 0 HE1 PHE B 159 -20.277 24.304 19.504 1.00 25.68 H new ATOM 0 HE2 PHE B 159 -17.007 21.944 19.225 1.00 31.35 H new ATOM 0 HZ PHE B 159 -18.185 23.693 20.226 1.00 27.08 H new ATOM 1266 N ASN B 160 -23.441 21.262 17.041 1.00 21.57 N ATOM 1267 CA ASN B 160 -24.550 21.882 17.789 1.00 27.76 C ATOM 1268 C ASN B 160 -25.374 20.857 18.518 1.00 24.44 C ATOM 1269 O ASN B 160 -25.739 21.105 19.695 1.00 23.06 O ATOM 1270 CB ASN B 160 -25.482 22.602 16.724 1.00 27.28 C ATOM 1271 CG ASN B 160 -26.594 23.371 17.333 1.00 27.95 C ATOM 1272 OD1 ASN B 160 -26.198 24.312 18.212 1.00 38.09 O flip ATOM 1273 ND2 ASN B 160 -27.772 23.164 17.076 1.00 24.03 N flip ATOM 0 H ASN B 160 -23.486 21.337 16.185 1.00 21.57 H new ATOM 0 HA ASN B 160 -24.187 22.497 18.446 1.00 27.76 H new ATOM 0 HB2 ASN B 160 -24.942 23.201 16.185 1.00 27.28 H new ATOM 0 HB3 ASN B 160 -25.851 21.935 16.124 1.00 27.28 H new ATOM 0 HD21 ASN B 160 -27.988 22.554 16.509 1.00 24.03 H new ATOM 0 HD22 ASN B 160 -28.384 23.628 17.462 1.00 24.03 H new ATOM 1274 N GLN B 161 -25.694 19.705 17.918 1.00 25.16 N ATOM 1275 CA GLN B 161 -26.344 18.617 18.683 1.00 26.91 C ATOM 1276 C GLN B 161 -25.578 18.153 20.009 1.00 21.48 C ATOM 1277 O GLN B 161 -26.276 17.964 21.034 1.00 22.58 O ATOM 1278 CB GLN B 161 -26.487 17.430 17.758 1.00 28.08 C ATOM 1279 CG GLN B 161 -27.575 17.776 16.654 1.00 27.17 C ATOM 1280 CD GLN B 161 -27.559 16.679 15.615 1.00 26.06 C ATOM 1281 OE1 GLN B 161 -26.611 15.984 15.418 1.00 22.89 O ATOM 1282 NE2 GLN B 161 -28.661 16.592 14.842 1.00 26.66 N ATOM 0 H GLN B 161 -25.550 19.530 17.088 1.00 25.16 H new ATOM 0 HA GLN B 161 -27.194 18.968 18.993 1.00 26.91 H new ATOM 0 HB2 GLN B 161 -25.636 17.225 17.340 1.00 28.08 H new ATOM 0 HB3 GLN B 161 -26.754 16.643 18.259 1.00 28.08 H new ATOM 0 HG2 GLN B 161 -28.455 17.848 17.057 1.00 27.17 H new ATOM 0 HG3 GLN B 161 -27.380 18.633 16.244 1.00 27.17 H new ATOM 0 HE21 GLN B 161 -29.337 17.101 14.998 1.00 26.66 H new ATOM 0 HE22 GLN B 161 -28.688 16.028 14.194 1.00 26.66 H new ATOM 1283 N ALA B 162 -24.257 18.001 19.882 1.00 16.15 N ATOM 1284 CA ALA B 162 -23.536 17.506 21.067 1.00 24.35 C ATOM 1285 C ALA B 162 -23.281 18.587 22.107 1.00 28.68 C ATOM 1286 O ALA B 162 -23.225 18.210 23.259 1.00 28.65 O ATOM 1287 CB ALA B 162 -22.143 16.923 20.724 1.00 22.38 C ATOM 0 H ALA B 162 -23.787 18.163 19.180 1.00 16.15 H new ATOM 0 HA ALA B 162 -24.127 16.821 21.417 1.00 24.35 H new ATOM 0 HB1 ALA B 162 -21.713 16.613 21.536 1.00 22.38 H new ATOM 0 HB2 ALA B 162 -22.245 16.180 20.109 1.00 22.38 H new ATOM 0 HB3 ALA B 162 -21.597 17.611 20.312 1.00 22.38 H new ATOM 1288 N TYR B 163 -22.947 19.816 21.688 1.00 18.77 N ATOM 1289 CA TYR B 163 -22.500 20.828 22.658 1.00 22.48 C ATOM 1290 C TYR B 163 -23.440 22.028 22.709 1.00 24.94 C ATOM 1291 O TYR B 163 -23.111 22.870 23.614 1.00 27.28 O ATOM 1292 CB TYR B 163 -21.082 21.297 22.283 1.00 20.80 C ATOM 1293 CG TYR B 163 -20.072 20.160 22.043 1.00 24.03 C ATOM 1294 CD1 TYR B 163 -19.730 19.339 23.090 1.00 33.03 C ATOM 1295 CD2 TYR B 163 -19.505 19.925 20.798 1.00 22.51 C ATOM 1296 CE1 TYR B 163 -18.830 18.292 22.907 1.00 42.11 C ATOM 1297 CE2 TYR B 163 -18.591 18.921 20.599 1.00 35.61 C ATOM 1298 CZ TYR B 163 -18.240 18.100 21.661 1.00 36.92 C ATOM 1299 OH TYR B 163 -17.334 17.116 21.531 1.00 40.05 O ATOM 0 H TYR B 163 -22.971 20.079 20.869 1.00 18.77 H new ATOM 0 HA TYR B 163 -22.501 20.420 23.538 1.00 22.48 H new ATOM 0 HB2 TYR B 163 -21.136 21.840 21.481 1.00 20.80 H new ATOM 0 HB3 TYR B 163 -20.745 21.868 22.991 1.00 20.80 H new ATOM 0 HD1 TYR B 163 -20.103 19.484 23.929 1.00 33.03 H new ATOM 0 HD2 TYR B 163 -19.751 20.462 20.080 1.00 22.51 H new ATOM 0 HE1 TYR B 163 -18.624 17.724 23.614 1.00 42.11 H new ATOM 0 HE2 TYR B 163 -18.210 18.792 19.760 1.00 35.61 H new ATOM 0 HH TYR B 163 -17.530 16.484 22.048 1.00 40.05 H new ATOM 1300 N GLY B 164 -24.528 22.093 21.973 1.00 25.66 N ATOM 1301 CA GLY B 164 -25.254 23.399 21.846 1.00 31.31 C ATOM 1302 C GLY B 164 -25.840 23.777 23.235 1.00 26.23 C ATOM 1303 O GLY B 164 -25.766 24.861 23.663 1.00 27.22 O ATOM 0 H GLY B 164 -24.874 21.434 21.543 1.00 25.66 H new ATOM 0 HA2 GLY B 164 -24.650 24.091 21.536 1.00 31.31 H new ATOM 0 HA3 GLY B 164 -25.964 23.327 21.189 1.00 31.31 H new ATOM 1304 N ARG B 165 -26.550 22.766 23.806 1.00 24.00 N ATOM 1305 CA ARG B 165 -27.202 23.034 25.088 1.00 33.59 C ATOM 1306 C ARG B 165 -26.199 23.424 26.182 1.00 28.65 C ATOM 1307 O ARG B 165 -26.477 24.361 26.972 1.00 25.91 O ATOM 1308 CB ARG B 165 -27.876 21.681 25.484 1.00 39.88 C ATOM 1309 CG ARG B 165 -28.959 21.917 26.527 1.00 42.73 C ATOM 1310 CD ARG B 165 -28.884 20.749 27.513 1.00 65.87 C ATOM 1311 NE ARG B 165 -30.095 19.915 27.416 1.00 81.83 N ATOM 1312 CZ ARG B 165 -31.209 20.238 28.101 1.00 83.92 C ATOM 1313 NH1 ARG B 165 -31.190 21.336 28.866 1.00 88.51 N ATOM 1314 NH2 ARG B 165 -32.336 19.530 28.067 1.00 56.11 N ATOM 0 H ARG B 165 -26.654 21.976 23.483 1.00 24.00 H new ATOM 0 HA ARG B 165 -27.824 23.774 25.004 1.00 33.59 H new ATOM 0 HB2 ARG B 165 -28.260 21.262 24.698 1.00 39.88 H new ATOM 0 HB3 ARG B 165 -27.209 21.070 25.834 1.00 39.88 H new ATOM 0 HG2 ARG B 165 -28.820 22.762 26.983 1.00 42.73 H new ATOM 0 HG3 ARG B 165 -29.834 21.960 26.111 1.00 42.73 H new ATOM 0 HD2 ARG B 165 -28.098 20.211 27.327 1.00 65.87 H new ATOM 0 HD3 ARG B 165 -28.789 21.087 28.417 1.00 65.87 H new ATOM 0 HE ARG B 165 -30.090 19.215 26.917 1.00 81.83 H new ATOM 0 HH11 ARG B 165 -30.478 21.816 28.911 1.00 88.51 H new ATOM 0 HH12 ARG B 165 -31.890 21.561 29.312 1.00 88.51 H new ATOM 0 HH21 ARG B 165 -32.382 18.818 27.586 1.00 56.11 H new ATOM 0 HH22 ARG B 165 -33.018 19.784 28.526 1.00 56.11 H new ATOM 1315 N ASP B 166 -25.058 22.718 26.329 1.00 24.59 N ATOM 1316 CA ASP B 166 -24.076 23.126 27.352 1.00 26.07 C ATOM 1317 C ASP B 166 -23.606 24.556 27.106 1.00 28.62 C ATOM 1318 O ASP B 166 -23.358 25.291 28.113 1.00 24.73 O ATOM 1319 CB ASP B 166 -22.821 22.217 27.418 1.00 23.94 C ATOM 1320 CG ASP B 166 -23.176 20.864 27.974 1.00 31.94 C ATOM 1321 OD1 ASP B 166 -24.168 20.666 28.695 1.00 32.44 O ATOM 1322 OD2 ASP B 166 -22.464 19.881 27.720 1.00 40.94 O ATOM 0 H ASP B 166 -24.842 22.027 25.865 1.00 24.59 H new ATOM 0 HA ASP B 166 -24.546 23.048 28.197 1.00 26.07 H new ATOM 0 HB2 ASP B 166 -22.440 22.118 26.531 1.00 23.94 H new ATOM 0 HB3 ASP B 166 -22.143 22.633 27.973 1.00 23.94 H new ATOM 1323 N LEU B 167 -23.319 24.876 25.812 1.00 25.06 N ATOM 1324 CA LEU B 167 -22.796 26.215 25.568 1.00 24.71 C ATOM 1325 C LEU B 167 -23.857 27.272 25.835 1.00 22.10 C ATOM 1326 O LEU B 167 -23.582 28.325 26.485 1.00 22.09 O ATOM 1327 CB LEU B 167 -22.211 26.240 24.046 1.00 24.19 C ATOM 1328 CG LEU B 167 -20.923 25.520 23.834 1.00 23.08 C ATOM 1329 CD1 LEU B 167 -20.591 25.400 22.300 1.00 22.35 C ATOM 1330 CD2 LEU B 167 -19.705 26.223 24.524 1.00 22.34 C ATOM 0 H LEU B 167 -23.416 24.367 25.126 1.00 25.06 H new ATOM 0 HA LEU B 167 -22.074 26.430 26.179 1.00 24.71 H new ATOM 0 HB2 LEU B 167 -22.878 25.856 23.455 1.00 24.19 H new ATOM 0 HB3 LEU B 167 -22.093 27.165 23.778 1.00 24.19 H new ATOM 0 HG LEU B 167 -21.050 24.646 24.234 1.00 23.08 H new ATOM 0 HD11 LEU B 167 -19.751 24.929 22.186 1.00 22.35 H new ATOM 0 HD12 LEU B 167 -21.299 24.910 21.853 1.00 22.35 H new ATOM 0 HD13 LEU B 167 -20.519 26.287 21.914 1.00 22.35 H new ATOM 0 HD21 LEU B 167 -18.898 25.713 24.353 1.00 22.34 H new ATOM 0 HD22 LEU B 167 -19.603 27.119 24.166 1.00 22.34 H new ATOM 0 HD23 LEU B 167 -19.859 26.273 25.480 1.00 22.34 H new ATOM 1331 N MET B 168 -25.126 26.985 25.491 1.00 24.25 N ATOM 1332 CA MET B 168 -26.211 27.909 25.803 1.00 27.46 C ATOM 1333 C MET B 168 -26.314 28.076 27.348 1.00 30.20 C ATOM 1334 O MET B 168 -26.513 29.182 27.788 1.00 25.31 O ATOM 1335 CB MET B 168 -27.611 27.550 25.362 1.00 31.98 C ATOM 1336 CG MET B 168 -27.780 27.556 23.804 1.00 41.53 C ATOM 1337 SD MET B 168 -29.499 27.402 23.359 1.00 63.84 S ATOM 1338 CE MET B 168 -30.336 27.644 24.951 1.00 43.52 C ATOM 0 H MET B 168 -25.368 26.268 25.082 1.00 24.25 H new ATOM 0 HA MET B 168 -25.954 28.698 25.301 1.00 27.46 H new ATOM 0 HB2 MET B 168 -27.837 26.671 25.704 1.00 31.98 H new ATOM 0 HB3 MET B 168 -28.239 28.177 25.753 1.00 31.98 H new ATOM 0 HG2 MET B 168 -27.418 28.378 23.438 1.00 41.53 H new ATOM 0 HG3 MET B 168 -27.274 26.825 23.416 1.00 41.53 H new ATOM 0 HE1 MET B 168 -31.297 27.611 24.820 1.00 43.52 H new ATOM 0 HE2 MET B 168 -30.070 26.943 25.567 1.00 43.52 H new ATOM 0 HE3 MET B 168 -30.090 28.507 25.318 1.00 43.52 H new ATOM 1339 N GLU B 169 -26.277 27.011 28.104 1.00 26.59 N ATOM 1340 CA GLU B 169 -26.216 27.106 29.587 1.00 32.45 C ATOM 1341 C GLU B 169 -24.998 27.886 30.095 1.00 28.89 C ATOM 1342 O GLU B 169 -25.189 28.743 31.003 1.00 25.30 O ATOM 1343 CB GLU B 169 -26.273 25.695 30.258 1.00 32.40 C ATOM 1344 CG GLU B 169 -26.501 25.885 31.785 1.00 35.28 C ATOM 1345 CD GLU B 169 -26.473 24.606 32.613 1.00 46.34 C ATOM 1346 OE1 GLU B 169 -26.540 23.479 32.079 1.00 31.57 O ATOM 1347 OE2 GLU B 169 -26.377 24.763 33.863 1.00 41.87 O ATOM 0 H GLU B 169 -26.285 26.207 27.800 1.00 26.59 H new ATOM 0 HA GLU B 169 -27.004 27.609 29.847 1.00 32.45 H new ATOM 0 HB2 GLU B 169 -26.990 25.167 29.873 1.00 32.40 H new ATOM 0 HB3 GLU B 169 -25.447 25.212 30.098 1.00 32.40 H new ATOM 0 HG2 GLU B 169 -25.822 26.488 32.126 1.00 35.28 H new ATOM 0 HG3 GLU B 169 -27.358 26.319 31.917 1.00 35.28 H new ATOM 1348 N ALA B 170 -23.801 27.703 29.525 1.00 24.67 N ATOM 1349 CA ALA B 170 -22.635 28.511 29.975 1.00 25.05 C ATOM 1350 C ALA B 170 -22.953 29.995 29.721 1.00 30.52 C ATOM 1351 O ALA B 170 -22.635 30.817 30.545 1.00 25.97 O ATOM 1352 CB ALA B 170 -21.308 28.159 29.311 1.00 21.85 C ATOM 0 H ALA B 170 -23.636 27.139 28.897 1.00 24.67 H new ATOM 0 HA ALA B 170 -22.510 28.312 30.916 1.00 25.05 H new ATOM 0 HB1 ALA B 170 -20.608 28.732 29.662 1.00 21.85 H new ATOM 0 HB2 ALA B 170 -21.090 27.232 29.495 1.00 21.85 H new ATOM 0 HB3 ALA B 170 -21.381 28.289 28.353 1.00 21.85 H new ATOM 1353 N GLN B 171 -23.499 30.339 28.506 1.00 27.98 N ATOM 1354 CA GLN B 171 -23.949 31.688 28.317 1.00 31.46 C ATOM 1355 C GLN B 171 -25.018 32.158 29.311 1.00 29.40 C ATOM 1356 O GLN B 171 -24.912 33.354 29.692 1.00 32.33 O ATOM 1357 CB GLN B 171 -24.371 31.893 26.799 1.00 29.71 C ATOM 1358 CG GLN B 171 -25.197 33.111 26.587 1.00 44.03 C ATOM 1359 CD GLN B 171 -25.713 33.194 25.148 1.00 44.92 C ATOM 1360 OE1 GLN B 171 -24.964 33.911 24.469 1.00 43.36 O ATOM 1361 NE2 GLN B 171 -26.838 32.503 24.898 1.00 46.04 N ATOM 0 H GLN B 171 -23.599 29.811 27.834 1.00 27.98 H new ATOM 0 HA GLN B 171 -23.200 32.270 28.519 1.00 31.46 H new ATOM 0 HB2 GLN B 171 -23.573 31.950 26.251 1.00 29.71 H new ATOM 0 HB3 GLN B 171 -24.867 31.115 26.498 1.00 29.71 H new ATOM 0 HG2 GLN B 171 -25.948 33.106 27.201 1.00 44.03 H new ATOM 0 HG3 GLN B 171 -24.670 33.900 26.789 1.00 44.03 H new ATOM 0 HE21 GLN B 171 -27.216 32.054 25.527 1.00 46.04 H new ATOM 0 HE22 GLN B 171 -27.180 32.509 24.109 1.00 46.04 H new ATOM 1362 N GLU B 172 -26.026 31.350 29.751 1.00 29.81 N ATOM 1363 CA GLU B 172 -26.945 31.857 30.741 1.00 28.55 C ATOM 1364 C GLU B 172 -26.188 32.185 32.055 1.00 31.52 C ATOM 1365 O GLU B 172 -26.522 33.219 32.646 1.00 32.30 O ATOM 1366 CB GLU B 172 -28.145 30.944 31.084 1.00 35.50 C ATOM 1367 CG GLU B 172 -28.884 30.605 29.764 1.00 49.36 C ATOM 1368 CD GLU B 172 -29.759 29.369 30.037 1.00 71.21 C ATOM 1369 OE1 GLU B 172 -30.404 29.262 31.123 1.00 79.10 O ATOM 1370 OE2 GLU B 172 -29.842 28.422 29.227 1.00 66.55 O ATOM 0 H GLU B 172 -26.169 30.544 29.487 1.00 29.81 H new ATOM 0 HA GLU B 172 -27.323 32.648 30.327 1.00 28.55 H new ATOM 0 HB2 GLU B 172 -27.840 30.133 31.519 1.00 35.50 H new ATOM 0 HB3 GLU B 172 -28.744 31.390 31.703 1.00 35.50 H new ATOM 0 HG2 GLU B 172 -29.429 31.353 29.475 1.00 49.36 H new ATOM 0 HG3 GLU B 172 -28.249 30.425 29.053 1.00 49.36 H new ATOM 1371 N TRP B 173 -25.262 31.340 32.487 1.00 25.31 N ATOM 1372 CA TRP B 173 -24.491 31.703 33.691 1.00 29.34 C ATOM 1373 C TRP B 173 -23.731 33.020 33.506 1.00 24.97 C ATOM 1374 O TRP B 173 -23.649 33.813 34.487 1.00 29.02 O ATOM 1375 CB TRP B 173 -23.459 30.629 34.061 1.00 29.08 C ATOM 1376 CG TRP B 173 -24.171 29.415 34.651 1.00 31.63 C ATOM 1377 CD1 TRP B 173 -24.431 28.214 34.098 1.00 32.73 C ATOM 1378 CD2 TRP B 173 -24.736 29.329 35.991 1.00 32.10 C ATOM 1379 NE1 TRP B 173 -25.153 27.388 34.934 1.00 45.28 N ATOM 1380 CE2 TRP B 173 -25.333 28.086 36.091 1.00 37.62 C ATOM 1381 CE3 TRP B 173 -24.781 30.260 37.038 1.00 30.63 C ATOM 1382 CZ2 TRP B 173 -25.986 27.628 37.272 1.00 33.74 C ATOM 1383 CZ3 TRP B 173 -25.412 29.850 38.214 1.00 33.47 C ATOM 1384 CH2 TRP B 173 -25.954 28.585 38.244 1.00 32.36 C ATOM 0 H TRP B 173 -25.064 30.585 32.125 1.00 25.31 H new ATOM 0 HA TRP B 173 -25.148 31.791 34.399 1.00 29.34 H new ATOM 0 HB2 TRP B 173 -22.954 30.369 33.275 1.00 29.08 H new ATOM 0 HB3 TRP B 173 -22.823 30.985 34.701 1.00 29.08 H new ATOM 0 HD1 TRP B 173 -24.154 27.969 33.245 1.00 32.73 H new ATOM 0 HE1 TRP B 173 -25.433 26.594 34.760 1.00 45.28 H new ATOM 0 HE3 TRP B 173 -24.409 31.108 36.954 1.00 30.63 H new ATOM 0 HZ2 TRP B 173 -26.380 26.791 37.367 1.00 33.74 H new ATOM 0 HZ3 TRP B 173 -25.464 30.413 38.953 1.00 33.47 H new ATOM 0 HH2 TRP B 173 -26.359 28.347 39.047 1.00 32.36 H new ATOM 1385 N CYS B 174 -23.048 33.118 32.312 1.00 24.04 N ATOM 1386 CA CYS B 174 -22.346 34.428 32.128 1.00 30.36 C ATOM 1387 C CYS B 174 -23.332 35.606 32.244 1.00 30.86 C ATOM 1388 O CYS B 174 -23.027 36.678 32.765 1.00 30.76 O ATOM 1389 CB CYS B 174 -21.646 34.574 30.768 1.00 33.50 C ATOM 1390 SG CYS B 174 -20.098 33.680 30.602 1.00 37.28 S ATOM 0 H CYS B 174 -22.985 32.531 31.687 1.00 24.04 H new ATOM 0 HA CYS B 174 -21.678 34.443 32.831 1.00 30.36 H new ATOM 0 HB2 CYS B 174 -22.253 34.272 30.074 1.00 33.50 H new ATOM 0 HB3 CYS B 174 -21.478 35.516 30.607 1.00 33.50 H new ATOM 0 HG CYS B 174 -19.645 33.864 29.506 1.00 37.28 H new ATOM 1391 N ARG B 175 -24.503 35.487 31.574 1.00 28.17 N ATOM 1392 CA ARG B 175 -25.491 36.550 31.654 1.00 33.87 C ATOM 1393 C ARG B 175 -25.951 36.709 33.120 1.00 38.57 C ATOM 1394 O ARG B 175 -26.277 37.878 33.492 1.00 30.79 O ATOM 1395 CB ARG B 175 -26.692 36.323 30.761 0.50 20.09 C ATOM 1396 CG ARG B 175 -26.302 36.206 29.270 0.50 21.48 C ATOM 1397 CD ARG B 175 -27.663 36.010 28.620 0.50 34.52 C ATOM 1398 NE ARG B 175 -27.750 35.915 27.238 0.50 39.03 N ATOM 1399 CZ ARG B 175 -27.394 36.356 26.078 0.50 45.73 C ATOM 1400 NH1 ARG B 175 -26.527 37.358 25.978 0.50 36.10 N ATOM 1401 NH2 ARG B 175 -27.893 35.806 24.939 0.50 41.28 N ATOM 0 H ARG B 175 -24.725 34.814 31.086 1.00 28.17 H new ATOM 0 HA ARG B 175 -25.063 37.361 31.337 1.00 33.87 H new ATOM 0 HB2 ARG B 175 -27.150 35.514 31.038 0.50 20.09 H new ATOM 0 HB3 ARG B 175 -27.318 37.055 30.873 0.50 20.09 H new ATOM 0 HG2 ARG B 175 -25.853 37.002 28.946 0.50 21.48 H new ATOM 0 HG3 ARG B 175 -25.707 35.458 29.105 0.50 21.48 H new ATOM 0 HD2 ARG B 175 -28.050 35.202 28.992 0.50 34.52 H new ATOM 0 HD3 ARG B 175 -28.227 36.749 28.897 0.50 34.52 H new ATOM 0 HE ARG B 175 -28.289 35.263 27.083 0.50 39.03 H new ATOM 0 HH11 ARG B 175 -26.200 37.716 26.688 0.50 36.10 H new ATOM 0 HH12 ARG B 175 -26.293 37.648 25.203 0.50 36.10 H new ATOM 0 HH21 ARG B 175 -28.454 35.155 24.985 0.50 41.28 H new ATOM 0 HH22 ARG B 175 -27.648 36.109 24.172 0.50 41.28 H new ATOM 1402 N LYS B 176 -25.998 35.627 33.927 1.00 30.96 N ATOM 1403 CA LYS B 176 -26.343 35.808 35.309 1.00 36.67 C ATOM 1404 C LYS B 176 -25.373 36.708 36.071 1.00 29.89 C ATOM 1405 O LYS B 176 -25.720 37.585 36.905 1.00 29.10 O ATOM 1406 CB LYS B 176 -26.517 34.497 36.136 1.00 40.81 C ATOM 1407 CG LYS B 176 -27.753 33.679 35.822 1.00 56.13 C ATOM 1408 CD LYS B 176 -27.769 32.366 36.604 1.00 67.13 C ATOM 1409 CE LYS B 176 -28.786 31.372 36.074 1.00 72.23 C ATOM 1410 NZ LYS B 176 -28.479 29.931 36.327 1.00 68.67 N ATOM 0 H LYS B 176 -25.836 34.818 33.685 1.00 30.96 H new ATOM 0 HA LYS B 176 -27.210 36.236 35.233 1.00 36.67 H new ATOM 0 HB2 LYS B 176 -25.736 33.939 35.995 1.00 40.81 H new ATOM 0 HB3 LYS B 176 -26.534 34.728 37.078 1.00 40.81 H new ATOM 0 HG2 LYS B 176 -28.546 34.194 36.036 1.00 56.13 H new ATOM 0 HG3 LYS B 176 -27.785 33.491 34.871 1.00 56.13 H new ATOM 0 HD2 LYS B 176 -26.886 31.966 36.572 1.00 67.13 H new ATOM 0 HD3 LYS B 176 -27.962 32.553 37.536 1.00 67.13 H new ATOM 0 HE2 LYS B 176 -29.648 31.576 36.468 1.00 72.23 H new ATOM 0 HE3 LYS B 176 -28.874 31.504 35.117 1.00 72.23 H new ATOM 0 HZ1 LYS B 176 -28.339 29.517 35.552 1.00 68.67 H new ATOM 0 HZ2 LYS B 176 -27.750 29.867 36.833 1.00 68.67 H new ATOM 0 HZ3 LYS B 176 -29.165 29.550 36.747 1.00 68.67 H new ATOM 1411 N TYR B 177 -24.116 36.481 35.782 1.00 25.55 N ATOM 1412 CA TYR B 177 -23.029 37.252 36.325 1.00 28.53 C ATOM 1413 C TYR B 177 -23.080 38.779 35.945 1.00 34.96 C ATOM 1414 O TYR B 177 -22.751 39.645 36.759 1.00 27.20 O ATOM 1415 CB TYR B 177 -21.696 36.672 35.816 1.00 23.32 C ATOM 1416 CG TYR B 177 -20.556 37.591 36.216 1.00 29.49 C ATOM 1417 CD1 TYR B 177 -20.185 37.695 37.516 1.00 30.94 C ATOM 1418 CD2 TYR B 177 -19.882 38.367 35.240 1.00 26.19 C ATOM 1419 CE1 TYR B 177 -19.134 38.498 37.879 1.00 32.09 C ATOM 1420 CE2 TYR B 177 -18.897 39.235 35.597 1.00 22.52 C ATOM 1421 CZ TYR B 177 -18.494 39.271 36.880 1.00 29.67 C ATOM 1422 OH TYR B 177 -17.459 40.101 37.315 1.00 31.66 O ATOM 0 H TYR B 177 -23.862 35.856 35.249 1.00 25.55 H new ATOM 0 HA TYR B 177 -23.108 37.193 37.290 1.00 28.53 H new ATOM 0 HB2 TYR B 177 -21.555 35.787 36.187 1.00 23.32 H new ATOM 0 HB3 TYR B 177 -21.722 36.575 34.851 1.00 23.32 H new ATOM 0 HD1 TYR B 177 -20.647 37.218 38.167 1.00 30.94 H new ATOM 0 HD2 TYR B 177 -20.116 38.282 34.344 1.00 26.19 H new ATOM 0 HE1 TYR B 177 -18.848 38.534 38.763 1.00 32.09 H new ATOM 0 HE2 TYR B 177 -18.508 39.795 34.964 1.00 22.52 H new ATOM 0 HH TYR B 177 -17.139 40.518 36.659 1.00 31.66 H new ATOM 1423 N MET B 178 -23.468 38.958 34.690 1.00 25.60 N ATOM 1424 CA MET B 178 -23.572 40.363 34.213 1.00 29.79 C ATOM 1425 C MET B 178 -24.490 41.100 35.136 1.00 28.65 C ATOM 1426 O MET B 178 -24.206 42.246 35.516 1.00 35.02 O ATOM 1427 CB MET B 178 -24.000 40.326 32.731 1.00 28.97 C ATOM 1428 CG MET B 178 -22.893 39.596 31.882 1.00 35.17 C ATOM 1429 SD MET B 178 -23.468 39.582 30.167 1.00 35.60 S ATOM 1430 CE MET B 178 -21.939 39.335 29.251 1.00 46.80 C ATOM 0 H MET B 178 -23.666 38.342 34.124 1.00 25.60 H new ATOM 0 HA MET B 178 -22.733 40.849 34.236 1.00 29.79 H new ATOM 0 HB2 MET B 178 -24.848 39.863 32.641 1.00 28.97 H new ATOM 0 HB3 MET B 178 -24.132 41.228 32.400 1.00 28.97 H new ATOM 0 HG2 MET B 178 -22.043 40.058 31.956 1.00 35.17 H new ATOM 0 HG3 MET B 178 -22.753 38.692 32.205 1.00 35.17 H new ATOM 0 HE1 MET B 178 -22.131 39.311 28.301 1.00 46.80 H new ATOM 0 HE2 MET B 178 -21.328 40.065 29.438 1.00 46.80 H new ATOM 0 HE3 MET B 178 -21.532 38.496 29.520 1.00 46.80 H new ATOM 1431 N LYS B 179 -25.566 40.486 35.529 1.00 27.73 N ATOM 1432 CA LYS B 179 -26.562 41.182 36.314 1.00 39.13 C ATOM 1433 C LYS B 179 -26.208 41.022 37.811 1.00 39.79 C ATOM 1434 O LYS B 179 -26.452 41.942 38.599 1.00 37.31 O ATOM 1435 CB LYS B 179 -27.981 40.636 36.109 1.00 38.35 C ATOM 1436 CG LYS B 179 -28.715 41.228 34.908 1.00 50.34 C ATOM 1437 CD LYS B 179 -29.936 40.359 34.664 1.00 62.58 C ATOM 1438 CE LYS B 179 -30.670 40.644 33.368 1.00 65.49 C ATOM 1439 NZ LYS B 179 -32.135 40.712 33.708 1.00 70.07 N ATOM 0 H LYS B 179 -25.749 39.664 35.357 1.00 27.73 H new ATOM 0 HA LYS B 179 -26.555 42.108 36.027 1.00 39.13 H new ATOM 0 HB2 LYS B 179 -27.933 39.673 36.003 1.00 38.35 H new ATOM 0 HB3 LYS B 179 -28.501 40.808 36.909 1.00 38.35 H new ATOM 0 HG2 LYS B 179 -28.976 42.146 35.083 1.00 50.34 H new ATOM 0 HG3 LYS B 179 -28.141 41.241 34.126 1.00 50.34 H new ATOM 0 HD2 LYS B 179 -29.661 39.429 34.668 1.00 62.58 H new ATOM 0 HD3 LYS B 179 -30.553 40.475 35.403 1.00 62.58 H new ATOM 0 HE2 LYS B 179 -30.368 41.479 32.977 1.00 65.49 H new ATOM 0 HE3 LYS B 179 -30.500 39.947 32.715 1.00 65.49 H new ATOM 0 HZ1 LYS B 179 -32.604 40.879 32.970 1.00 70.07 H new ATOM 0 HZ2 LYS B 179 -32.396 39.935 34.056 1.00 70.07 H new ATOM 0 HZ3 LYS B 179 -32.273 41.362 34.300 1.00 70.07 H new ATOM 1440 N SER B 180 -25.761 39.922 38.317 1.00 33.24 N ATOM 1441 CA SER B 180 -25.452 39.727 39.730 1.00 39.42 C ATOM 1442 C SER B 180 -24.156 40.351 40.204 1.00 31.69 C ATOM 1443 O SER B 180 -24.020 40.723 41.345 1.00 36.96 O ATOM 1444 CB SER B 180 -25.375 38.239 40.131 1.00 41.74 C ATOM 1445 OG SER B 180 -24.114 37.720 39.708 1.00 30.34 O ATOM 0 H SER B 180 -25.615 39.221 37.841 1.00 33.24 H new ATOM 0 HA SER B 180 -26.198 40.177 40.155 1.00 39.42 H new ATOM 0 HB2 SER B 180 -25.474 38.143 41.091 1.00 41.74 H new ATOM 0 HB3 SER B 180 -26.099 37.741 39.720 1.00 41.74 H new ATOM 0 HG SER B 180 -24.181 36.893 39.578 1.00 30.34 H new ATOM 1446 N GLY B 181 -23.065 40.446 39.473 1.00 23.51 N ATOM 1447 CA GLY B 181 -21.720 40.841 39.987 1.00 26.17 C ATOM 1448 C GLY B 181 -21.102 39.716 40.859 1.00 27.23 C ATOM 1449 O GLY B 181 -19.982 40.031 41.291 1.00 28.20 O ATOM 0 H GLY B 181 -23.063 40.281 38.629 1.00 23.51 H new ATOM 0 HA2 GLY B 181 -21.131 41.037 39.242 1.00 26.17 H new ATOM 0 HA3 GLY B 181 -21.797 41.654 40.510 1.00 26.17 H new ATOM 1450 N ASN B 182 -21.618 38.512 40.807 1.00 28.47 N ATOM 1451 CA ASN B 182 -21.038 37.484 41.726 1.00 31.50 C ATOM 1452 C ASN B 182 -20.119 36.536 40.930 1.00 24.86 C ATOM 1453 O ASN B 182 -20.739 35.805 40.159 1.00 29.26 O ATOM 1454 CB ASN B 182 -22.239 36.661 42.248 1.00 32.23 C ATOM 1455 CG ASN B 182 -21.704 35.542 43.144 1.00 47.09 C ATOM 1456 OD1 ASN B 182 -20.404 35.371 43.425 1.00 61.40 O flip ATOM 1457 ND2 ASN B 182 -22.551 34.779 43.621 1.00 32.97 N flip ATOM 0 H ASN B 182 -22.259 38.254 40.295 1.00 28.47 H new ATOM 0 HA ASN B 182 -20.527 37.898 42.439 1.00 31.50 H new ATOM 0 HB2 ASN B 182 -22.847 37.230 42.745 1.00 32.23 H new ATOM 0 HB3 ASN B 182 -22.741 36.289 41.506 1.00 32.23 H new ATOM 0 HD21 ASN B 182 -23.384 34.892 43.438 1.00 32.97 H new ATOM 0 HD22 ASN B 182 -22.308 34.135 44.136 1.00 32.97 H new ATOM 1458 N VAL B 183 -18.821 36.500 41.053 1.00 24.49 N ATOM 1459 CA VAL B 183 -17.891 35.674 40.348 1.00 31.48 C ATOM 1460 C VAL B 183 -18.194 34.205 40.373 1.00 35.06 C ATOM 1461 O VAL B 183 -17.811 33.441 39.372 1.00 28.00 O ATOM 1462 CB VAL B 183 -16.426 35.971 40.636 1.00 41.03 C ATOM 1463 CG1 VAL B 183 -15.912 35.884 42.072 1.00 42.68 C ATOM 1464 CG2 VAL B 183 -15.483 34.927 39.984 1.00 42.78 C ATOM 0 H VAL B 183 -18.420 37.015 41.613 1.00 24.49 H new ATOM 0 HA VAL B 183 -18.036 35.946 39.428 1.00 31.48 H new ATOM 0 HB VAL B 183 -16.408 36.884 40.310 1.00 41.03 H new ATOM 0 HG11 VAL B 183 -14.966 36.100 42.091 1.00 42.68 H new ATOM 0 HG12 VAL B 183 -16.398 36.513 42.628 1.00 42.68 H new ATOM 0 HG13 VAL B 183 -16.045 34.984 42.410 1.00 42.68 H new ATOM 0 HG21 VAL B 183 -14.562 35.150 40.190 1.00 42.78 H new ATOM 0 HG22 VAL B 183 -15.687 34.045 40.332 1.00 42.78 H new ATOM 0 HG23 VAL B 183 -15.610 34.932 39.022 1.00 42.78 H new ATOM 1465 N LYS B 184 -18.882 33.607 41.345 1.00 36.65 N ATOM 1466 CA LYS B 184 -19.362 32.266 41.377 1.00 43.95 C ATOM 1467 C LYS B 184 -20.299 31.922 40.211 1.00 39.26 C ATOM 1468 O LYS B 184 -20.210 30.798 39.717 1.00 30.10 O ATOM 1469 CB LYS B 184 -20.125 32.115 42.726 1.00 46.38 C ATOM 1470 CG LYS B 184 -19.326 31.416 43.795 1.00 63.88 C ATOM 1471 CD LYS B 184 -17.879 31.834 43.919 1.00 67.12 C ATOM 1472 CE LYS B 184 -16.921 30.642 43.866 1.00 73.61 C ATOM 1473 NZ LYS B 184 -16.418 30.303 42.505 1.00 53.02 N ATOM 0 H LYS B 184 -19.090 34.033 42.063 1.00 36.65 H new ATOM 0 HA LYS B 184 -18.612 31.657 41.294 1.00 43.95 H new ATOM 0 HB2 LYS B 184 -20.379 32.995 43.046 1.00 46.38 H new ATOM 0 HB3 LYS B 184 -20.946 31.622 42.571 1.00 46.38 H new ATOM 0 HG2 LYS B 184 -19.762 31.565 44.649 1.00 63.88 H new ATOM 0 HG3 LYS B 184 -19.355 30.462 43.624 1.00 63.88 H new ATOM 0 HD2 LYS B 184 -17.661 32.453 43.204 1.00 67.12 H new ATOM 0 HD3 LYS B 184 -17.753 32.310 44.755 1.00 67.12 H new ATOM 0 HE2 LYS B 184 -16.162 30.828 44.440 1.00 73.61 H new ATOM 0 HE3 LYS B 184 -17.371 29.865 44.233 1.00 73.61 H new ATOM 0 HZ1 LYS B 184 -15.573 30.029 42.560 1.00 53.02 H new ATOM 0 HZ2 LYS B 184 -16.918 29.654 42.157 1.00 53.02 H new ATOM 0 HZ3 LYS B 184 -16.462 31.023 41.984 1.00 53.02 H new ATOM 1474 N ASP B 185 -21.052 32.964 39.743 1.00 29.91 N ATOM 1475 CA ASP B 185 -21.852 32.671 38.553 1.00 32.59 C ATOM 1476 C ASP B 185 -20.914 32.474 37.322 1.00 28.82 C ATOM 1477 O ASP B 185 -21.228 31.611 36.453 1.00 29.78 O ATOM 1478 CB ASP B 185 -22.796 33.805 38.235 1.00 27.24 C ATOM 1479 CG ASP B 185 -23.993 33.936 39.218 1.00 40.58 C ATOM 1480 OD1 ASP B 185 -24.363 32.878 39.762 1.00 36.44 O ATOM 1481 OD2 ASP B 185 -24.579 35.000 39.389 1.00 33.80 O ATOM 0 H ASP B 185 -21.103 33.758 40.070 1.00 29.91 H new ATOM 0 HA ASP B 185 -22.362 31.866 38.735 1.00 32.59 H new ATOM 0 HB2 ASP B 185 -22.297 34.637 38.237 1.00 27.24 H new ATOM 0 HB3 ASP B 185 -23.141 33.683 37.337 1.00 27.24 H new ATOM 1482 N LEU B 186 -19.819 33.230 37.209 1.00 24.01 N ATOM 1483 CA LEU B 186 -18.930 32.995 36.075 1.00 29.75 C ATOM 1484 C LEU B 186 -18.148 31.735 36.240 1.00 34.01 C ATOM 1485 O LEU B 186 -17.955 30.978 35.210 1.00 25.84 O ATOM 1486 CB LEU B 186 -18.175 34.301 35.910 1.00 33.91 C ATOM 1487 CG LEU B 186 -17.178 34.608 34.873 1.00 43.18 C ATOM 1488 CD1 LEU B 186 -17.965 34.505 33.508 1.00 38.01 C ATOM 1489 CD2 LEU B 186 -16.574 35.972 35.130 1.00 31.84 C ATOM 0 H LEU B 186 -19.582 33.855 37.751 1.00 24.01 H new ATOM 0 HA LEU B 186 -19.375 32.804 35.235 1.00 29.75 H new ATOM 0 HB2 LEU B 186 -18.856 34.987 35.827 1.00 33.91 H new ATOM 0 HB3 LEU B 186 -17.725 34.450 36.756 1.00 33.91 H new ATOM 0 HG LEU B 186 -16.423 33.999 34.863 1.00 43.18 H new ATOM 0 HD11 LEU B 186 -17.363 34.697 32.772 1.00 38.01 H new ATOM 0 HD12 LEU B 186 -18.322 33.609 33.407 1.00 38.01 H new ATOM 0 HD13 LEU B 186 -18.694 35.145 33.505 1.00 38.01 H new ATOM 0 HD21 LEU B 186 -15.917 36.170 34.444 1.00 31.84 H new ATOM 0 HD22 LEU B 186 -17.273 36.644 35.112 1.00 31.84 H new ATOM 0 HD23 LEU B 186 -16.144 35.977 35.999 1.00 31.84 H new ATOM 1490 N THR B 187 -17.912 31.359 37.530 1.00 28.08 N ATOM 1491 CA THR B 187 -17.119 30.034 37.558 1.00 33.21 C ATOM 1492 C THR B 187 -18.014 29.025 36.961 1.00 25.04 C ATOM 1493 O THR B 187 -17.498 27.957 36.515 1.00 26.90 O ATOM 1494 CB THR B 187 -16.671 29.676 39.000 1.00 44.02 C ATOM 1495 OG1 THR B 187 -17.823 29.789 39.798 1.00 42.86 O ATOM 1496 CG2 THR B 187 -15.707 30.693 39.587 1.00 37.49 C ATOM 0 H THR B 187 -18.135 31.742 38.267 1.00 28.08 H new ATOM 0 HA THR B 187 -16.292 30.091 37.054 1.00 33.21 H new ATOM 0 HB THR B 187 -16.249 28.803 38.978 1.00 44.02 H new ATOM 0 HG1 THR B 187 -18.422 30.193 39.370 1.00 42.86 H new ATOM 0 HG21 THR B 187 -15.459 30.423 40.485 1.00 37.49 H new ATOM 0 HG22 THR B 187 -14.912 30.742 39.034 1.00 37.49 H new ATOM 0 HG23 THR B 187 -16.134 31.564 39.617 1.00 37.49 H new ATOM 1497 N GLN B 188 -19.353 29.072 37.303 1.00 21.03 N ATOM 1498 CA GLN B 188 -20.279 27.944 36.873 1.00 26.17 C ATOM 1499 C GLN B 188 -20.281 27.823 35.315 1.00 29.92 C ATOM 1500 O GLN B 188 -20.341 26.775 34.594 1.00 25.25 O ATOM 1501 CB GLN B 188 -21.809 28.309 37.144 1.00 28.97 C ATOM 1502 CG GLN B 188 -22.240 27.817 38.489 1.00 51.50 C ATOM 1503 CD GLN B 188 -22.018 26.323 38.753 1.00 58.10 C ATOM 1504 OE1 GLN B 188 -22.618 25.422 38.016 1.00 44.24 O flip ATOM 1505 NE2 GLN B 188 -21.245 26.169 39.731 1.00 48.46 N flip ATOM 0 H GLN B 188 -19.725 29.703 37.753 1.00 21.03 H new ATOM 0 HA GLN B 188 -19.970 27.159 37.352 1.00 26.17 H new ATOM 0 HB2 GLN B 188 -21.931 29.270 37.092 1.00 28.97 H new ATOM 0 HB3 GLN B 188 -22.367 27.914 36.456 1.00 28.97 H new ATOM 0 HG2 GLN B 188 -21.765 28.322 39.167 1.00 51.50 H new ATOM 0 HG3 GLN B 188 -23.184 28.011 38.599 1.00 51.50 H new ATOM 0 HE21 GLN B 188 -20.916 26.855 40.131 1.00 48.46 H new ATOM 0 HE22 GLN B 188 -21.045 25.377 40.000 1.00 48.46 H new ATOM 1506 N ALA B 189 -20.131 29.056 34.791 1.00 21.31 N ATOM 1507 CA ALA B 189 -20.018 29.019 33.258 1.00 19.86 C ATOM 1508 C ALA B 189 -18.744 28.321 32.824 1.00 24.53 C ATOM 1509 O ALA B 189 -18.841 27.530 31.921 1.00 22.81 O ATOM 1510 CB ALA B 189 -20.017 30.479 32.697 1.00 17.77 C ATOM 0 H ALA B 189 -20.094 29.815 35.194 1.00 21.31 H new ATOM 0 HA ALA B 189 -20.778 28.527 32.909 1.00 19.86 H new ATOM 0 HB1 ALA B 189 -19.946 30.454 31.730 1.00 17.77 H new ATOM 0 HB2 ALA B 189 -20.842 30.923 32.949 1.00 17.77 H new ATOM 0 HB3 ALA B 189 -19.263 30.966 33.064 1.00 17.77 H new ATOM 1511 N TRP B 190 -17.579 28.519 33.600 1.00 20.51 N ATOM 1512 CA TRP B 190 -16.345 27.872 33.155 1.00 19.57 C ATOM 1513 C TRP B 190 -16.389 26.384 33.377 1.00 21.01 C ATOM 1514 O TRP B 190 -15.603 25.669 32.644 1.00 21.31 O ATOM 1515 CB TRP B 190 -15.084 28.514 33.895 1.00 21.23 C ATOM 1516 CG TRP B 190 -14.773 29.751 33.089 1.00 24.28 C ATOM 1517 CD1 TRP B 190 -15.123 31.062 33.326 1.00 23.77 C ATOM 1518 CD2 TRP B 190 -14.187 29.727 31.803 1.00 28.13 C ATOM 1519 NE1 TRP B 190 -14.707 31.861 32.316 1.00 28.55 N ATOM 1520 CE2 TRP B 190 -14.120 31.062 31.328 1.00 33.52 C ATOM 1521 CE3 TRP B 190 -13.688 28.705 31.012 1.00 21.52 C ATOM 1522 CZ2 TRP B 190 -13.626 31.351 30.100 1.00 26.72 C ATOM 1523 CZ3 TRP B 190 -13.161 29.015 29.792 1.00 27.68 C ATOM 1524 CH2 TRP B 190 -13.057 30.329 29.320 1.00 26.59 C ATOM 0 H TRP B 190 -17.525 28.989 34.318 1.00 20.51 H new ATOM 0 HA TRP B 190 -16.258 28.022 32.201 1.00 19.57 H new ATOM 0 HB2 TRP B 190 -15.288 28.734 34.817 1.00 21.23 H new ATOM 0 HB3 TRP B 190 -14.332 27.902 33.909 1.00 21.23 H new ATOM 0 HD1 TRP B 190 -15.583 31.358 34.078 1.00 23.77 H new ATOM 0 HE1 TRP B 190 -14.790 32.717 32.286 1.00 28.55 H new ATOM 0 HE3 TRP B 190 -13.712 27.823 31.307 1.00 21.52 H new ATOM 0 HZ2 TRP B 190 -13.663 32.221 29.775 1.00 26.72 H new ATOM 0 HZ3 TRP B 190 -12.857 28.323 29.250 1.00 27.68 H new ATOM 0 HH2 TRP B 190 -12.626 30.519 28.518 1.00 26.59 H new ATOM 1525 N ASP B 191 -17.226 25.837 34.284 1.00 22.91 N ATOM 1526 CA ASP B 191 -17.278 24.370 34.444 1.00 26.92 C ATOM 1527 C ASP B 191 -17.903 23.757 33.163 1.00 22.88 C ATOM 1528 O ASP B 191 -17.389 22.756 32.643 1.00 20.38 O ATOM 1529 CB ASP B 191 -18.060 24.083 35.722 1.00 27.28 C ATOM 1530 CG ASP B 191 -18.342 22.610 35.983 1.00 33.49 C ATOM 1531 OD1 ASP B 191 -17.308 21.907 36.094 1.00 31.98 O ATOM 1532 OD2 ASP B 191 -19.522 22.190 36.053 1.00 40.54 O ATOM 0 H ASP B 191 -17.753 26.282 34.798 1.00 22.91 H new ATOM 0 HA ASP B 191 -16.403 23.962 34.540 1.00 26.92 H new ATOM 0 HB2 ASP B 191 -17.566 24.443 36.475 1.00 27.28 H new ATOM 0 HB3 ASP B 191 -18.904 24.559 35.683 1.00 27.28 H new ATOM 1533 N LEU B 192 -18.915 24.386 32.626 1.00 21.73 N ATOM 1534 CA LEU B 192 -19.573 23.926 31.393 1.00 26.28 C ATOM 1535 C LEU B 192 -18.652 24.216 30.203 1.00 27.06 C ATOM 1536 O LEU B 192 -18.528 23.241 29.385 1.00 21.90 O ATOM 1537 CB LEU B 192 -20.913 24.668 31.240 1.00 22.00 C ATOM 1538 CG LEU B 192 -22.016 24.242 32.198 1.00 30.94 C ATOM 1539 CD1 LEU B 192 -23.104 25.320 32.174 1.00 26.46 C ATOM 1540 CD2 LEU B 192 -22.714 22.990 31.645 1.00 25.66 C ATOM 0 H LEU B 192 -19.257 25.102 32.957 1.00 21.73 H new ATOM 0 HA LEU B 192 -19.745 22.972 31.430 1.00 26.28 H new ATOM 0 HB2 LEU B 192 -20.753 25.617 31.358 1.00 22.00 H new ATOM 0 HB3 LEU B 192 -21.230 24.545 30.332 1.00 22.00 H new ATOM 0 HG LEU B 192 -21.632 24.095 33.076 1.00 30.94 H new ATOM 0 HD11 LEU B 192 -23.820 25.071 32.779 1.00 26.46 H new ATOM 0 HD12 LEU B 192 -22.726 26.168 32.454 1.00 26.46 H new ATOM 0 HD13 LEU B 192 -23.456 25.405 31.274 1.00 26.46 H new ATOM 0 HD21 LEU B 192 -23.418 22.716 32.254 1.00 25.66 H new ATOM 0 HD22 LEU B 192 -23.098 23.190 30.777 1.00 25.66 H new ATOM 0 HD23 LEU B 192 -22.068 22.272 31.555 1.00 25.66 H new ATOM 1541 N TYR B 193 -17.934 25.353 30.221 1.00 22.30 N ATOM 1542 CA TYR B 193 -17.020 25.539 29.078 1.00 22.91 C ATOM 1543 C TYR B 193 -15.909 24.474 29.076 1.00 21.14 C ATOM 1544 O TYR B 193 -15.515 23.943 28.028 1.00 23.88 O ATOM 1545 CB TYR B 193 -16.355 26.935 29.096 1.00 19.41 C ATOM 1546 CG TYR B 193 -17.282 28.124 28.719 1.00 22.50 C ATOM 1547 CD1 TYR B 193 -18.083 28.134 27.561 1.00 23.71 C ATOM 1548 CD2 TYR B 193 -17.259 29.247 29.433 1.00 25.15 C ATOM 1549 CE1 TYR B 193 -18.841 29.244 27.158 1.00 16.92 C ATOM 1550 CE2 TYR B 193 -18.053 30.425 29.130 1.00 20.43 C ATOM 1551 CZ TYR B 193 -18.800 30.376 27.984 1.00 21.53 C ATOM 1552 OH TYR B 193 -19.618 31.456 27.581 1.00 20.39 O ATOM 0 H TYR B 193 -17.952 25.971 30.819 1.00 22.30 H new ATOM 0 HA TYR B 193 -17.562 25.453 28.278 1.00 22.91 H new ATOM 0 HB2 TYR B 193 -15.997 27.094 29.983 1.00 19.41 H new ATOM 0 HB3 TYR B 193 -15.603 26.925 28.484 1.00 19.41 H new ATOM 0 HD1 TYR B 193 -18.111 27.366 27.037 1.00 23.71 H new ATOM 0 HD2 TYR B 193 -16.698 29.280 30.174 1.00 25.15 H new ATOM 0 HE1 TYR B 193 -19.348 29.229 26.378 1.00 16.92 H new ATOM 0 HE2 TYR B 193 -18.054 31.172 29.684 1.00 20.43 H new ATOM 0 HH TYR B 193 -20.118 31.210 26.953 1.00 20.39 H new ATOM 1553 N TYR B 194 -15.386 24.137 30.240 1.00 21.63 N ATOM 1554 CA TYR B 194 -14.226 23.197 30.313 1.00 21.22 C ATOM 1555 C TYR B 194 -14.753 21.829 29.896 1.00 19.55 C ATOM 1556 O TYR B 194 -13.993 21.137 29.224 1.00 22.68 O ATOM 1557 CB TYR B 194 -13.734 23.130 31.768 1.00 19.12 C ATOM 1558 CG TYR B 194 -12.473 22.253 31.931 1.00 17.76 C ATOM 1559 CD1 TYR B 194 -11.459 22.217 30.972 1.00 21.33 C ATOM 1560 CD2 TYR B 194 -12.333 21.496 33.123 1.00 22.93 C ATOM 1561 CE1 TYR B 194 -10.312 21.425 31.163 1.00 21.35 C ATOM 1562 CE2 TYR B 194 -11.188 20.769 33.336 1.00 24.61 C ATOM 1563 CZ TYR B 194 -10.177 20.719 32.386 1.00 27.38 C ATOM 1564 OH TYR B 194 -9.023 19.977 32.517 1.00 25.46 O ATOM 0 H TYR B 194 -15.667 24.424 31.000 1.00 21.63 H new ATOM 0 HA TYR B 194 -13.494 23.482 29.744 1.00 21.22 H new ATOM 0 HB2 TYR B 194 -13.542 24.027 32.082 1.00 19.12 H new ATOM 0 HB3 TYR B 194 -14.443 22.778 32.329 1.00 19.12 H new ATOM 0 HD1 TYR B 194 -11.543 22.723 30.196 1.00 21.33 H new ATOM 0 HD2 TYR B 194 -13.014 21.492 33.757 1.00 22.93 H new ATOM 0 HE1 TYR B 194 -9.659 21.366 30.504 1.00 21.35 H new ATOM 0 HE2 TYR B 194 -11.088 20.300 34.133 1.00 24.61 H new ATOM 0 HH TYR B 194 -9.091 19.467 33.181 1.00 25.46 H new ATOM 1565 N HIS B 195 -15.987 21.436 30.354 1.00 16.59 N ATOM 1566 CA HIS B 195 -16.502 20.084 29.915 1.00 21.16 C ATOM 1567 C HIS B 195 -16.571 20.079 28.339 1.00 29.23 C ATOM 1568 O HIS B 195 -16.169 19.050 27.765 1.00 24.37 O ATOM 1569 CB HIS B 195 -17.886 20.028 30.461 1.00 25.48 C ATOM 1570 CG HIS B 195 -18.613 18.749 30.139 1.00 41.49 C ATOM 1571 ND1 HIS B 195 -19.821 18.469 29.646 1.00 51.51 N flip ATOM 1572 CD2 HIS B 195 -18.051 17.538 30.417 1.00 48.62 C flip ATOM 1573 CE1 HIS B 195 -19.950 17.082 29.635 1.00 38.49 C flip ATOM 1574 NE2 HIS B 195 -18.862 16.534 30.083 1.00 37.02 N flip ATOM 0 H HIS B 195 -16.502 21.890 30.873 1.00 16.59 H new ATOM 0 HA HIS B 195 -15.952 19.342 30.212 1.00 21.16 H new ATOM 0 HB2 HIS B 195 -17.850 20.136 31.424 1.00 25.48 H new ATOM 0 HB3 HIS B 195 -18.394 20.776 30.110 1.00 25.48 H new ATOM 0 HD2 HIS B 195 -17.208 17.426 30.793 1.00 48.62 H new ATOM 0 HE1 HIS B 195 -20.703 16.618 29.349 1.00 38.49 H new ATOM 0 HE2 HIS B 195 -18.697 15.693 30.151 1.00 37.02 H new ATOM 1575 N VAL B 196 -17.126 21.136 27.732 1.00 22.94 N ATOM 1576 CA VAL B 196 -17.058 21.202 26.277 1.00 23.19 C ATOM 1577 C VAL B 196 -15.649 21.080 25.742 1.00 21.69 C ATOM 1578 O VAL B 196 -15.335 20.317 24.782 1.00 24.78 O ATOM 1579 CB VAL B 196 -17.811 22.497 25.735 1.00 23.00 C ATOM 1580 CG1 VAL B 196 -17.567 22.572 24.190 1.00 22.58 C ATOM 1581 CG2 VAL B 196 -19.294 22.385 26.081 1.00 18.00 C ATOM 0 H VAL B 196 -17.525 21.790 28.123 1.00 22.94 H new ATOM 0 HA VAL B 196 -17.525 20.424 25.933 1.00 23.19 H new ATOM 0 HB VAL B 196 -17.478 23.312 26.143 1.00 23.00 H new ATOM 0 HG11 VAL B 196 -18.015 23.353 23.829 1.00 22.58 H new ATOM 0 HG12 VAL B 196 -16.615 22.636 24.015 1.00 22.58 H new ATOM 0 HG13 VAL B 196 -17.920 21.773 23.767 1.00 22.58 H new ATOM 0 HG21 VAL B 196 -19.763 23.169 25.755 1.00 18.00 H new ATOM 0 HG22 VAL B 196 -19.665 21.591 25.665 1.00 18.00 H new ATOM 0 HG23 VAL B 196 -19.398 22.323 27.043 1.00 18.00 H new ATOM 1582 N PHE B 197 -14.716 21.884 26.306 1.00 18.69 N ATOM 1583 CA PHE B 197 -13.363 21.923 25.809 1.00 20.52 C ATOM 1584 C PHE B 197 -12.666 20.573 25.846 1.00 29.26 C ATOM 1585 O PHE B 197 -11.972 20.155 24.912 1.00 25.51 O ATOM 1586 CB PHE B 197 -12.576 22.985 26.638 1.00 24.34 C ATOM 1587 CG PHE B 197 -11.167 23.234 26.222 1.00 22.86 C ATOM 1588 CD1 PHE B 197 -10.797 24.026 25.114 1.00 24.04 C ATOM 1589 CD2 PHE B 197 -10.117 22.600 26.874 1.00 22.27 C ATOM 1590 CE1 PHE B 197 -9.473 24.200 24.752 1.00 28.58 C ATOM 1591 CE2 PHE B 197 -8.797 22.771 26.603 1.00 25.35 C ATOM 1592 CZ PHE B 197 -8.446 23.550 25.517 1.00 27.60 C ATOM 0 H PHE B 197 -14.867 22.404 26.974 1.00 18.69 H new ATOM 0 HA PHE B 197 -13.389 22.168 24.871 1.00 20.52 H new ATOM 0 HB2 PHE B 197 -13.059 23.825 26.594 1.00 24.34 H new ATOM 0 HB3 PHE B 197 -12.575 22.706 27.567 1.00 24.34 H new ATOM 0 HD1 PHE B 197 -11.461 24.442 24.614 1.00 24.04 H new ATOM 0 HD2 PHE B 197 -10.337 22.007 27.556 1.00 22.27 H new ATOM 0 HE1 PHE B 197 -9.251 24.732 24.022 1.00 28.58 H new ATOM 0 HE2 PHE B 197 -8.146 22.374 27.135 1.00 25.35 H new ATOM 0 HZ PHE B 197 -7.552 23.653 25.283 1.00 27.60 H new ATOM 1593 N ARG B 198 -12.855 19.838 26.987 1.00 25.71 N ATOM 1594 CA ARG B 198 -12.321 18.545 27.125 1.00 28.32 C ATOM 1595 C ARG B 198 -12.985 17.602 26.091 1.00 28.70 C ATOM 1596 O ARG B 198 -12.142 16.875 25.518 1.00 35.65 O ATOM 1597 CB ARG B 198 -12.582 17.877 28.509 1.00 20.61 C ATOM 1598 CG ARG B 198 -11.464 18.472 29.505 1.00 22.87 C ATOM 1599 CD ARG B 198 -11.678 17.722 30.812 1.00 31.66 C ATOM 1600 NE ARG B 198 -10.948 16.405 30.605 1.00 35.20 N ATOM 1601 CZ ARG B 198 -9.647 16.216 30.565 1.00 39.22 C ATOM 1602 NH1 ARG B 198 -8.655 17.135 30.697 1.00 38.44 N ATOM 1603 NH2 ARG B 198 -9.274 14.935 30.360 1.00 38.00 N ATOM 0 H ARG B 198 -13.299 20.115 27.669 1.00 25.71 H new ATOM 0 HA ARG B 198 -11.365 18.660 27.005 1.00 28.32 H new ATOM 0 HB2 ARG B 198 -13.475 18.078 28.829 1.00 20.61 H new ATOM 0 HB3 ARG B 198 -12.514 16.911 28.447 1.00 20.61 H new ATOM 0 HG2 ARG B 198 -10.570 18.328 29.158 1.00 22.87 H new ATOM 0 HG3 ARG B 198 -11.571 19.429 29.625 1.00 22.87 H new ATOM 0 HD2 ARG B 198 -11.317 18.213 31.566 1.00 31.66 H new ATOM 0 HD3 ARG B 198 -12.621 17.581 30.990 1.00 31.66 H new ATOM 0 HE ARG B 198 -11.440 15.707 30.503 1.00 35.20 H new ATOM 0 HH11 ARG B 198 -8.850 17.963 30.825 1.00 38.44 H new ATOM 0 HH12 ARG B 198 -7.832 16.889 30.652 1.00 38.44 H new ATOM 0 HH21 ARG B 198 -9.871 14.323 30.268 1.00 38.00 H new ATOM 0 HH22 ARG B 198 -8.439 14.731 30.321 1.00 38.00 H new ATOM 1604 N ARG B 199 -14.263 17.690 25.895 1.00 24.38 N ATOM 1605 CA ARG B 199 -14.934 16.756 24.925 1.00 27.33 C ATOM 1606 C ARG B 199 -14.426 17.016 23.520 1.00 34.21 C ATOM 1607 O ARG B 199 -14.023 16.064 22.813 1.00 33.55 O ATOM 1608 CB ARG B 199 -16.451 16.788 25.014 1.00 30.68 C ATOM 1609 CG ARG B 199 -17.017 16.017 26.235 1.00 36.41 C ATOM 1610 CD ARG B 199 -18.492 15.913 26.017 1.00 60.81 C ATOM 1611 NE ARG B 199 -19.335 16.916 26.678 1.00 63.57 N ATOM 1612 CZ ARG B 199 -20.584 17.208 26.303 1.00 78.54 C ATOM 1613 NH1 ARG B 199 -21.193 16.694 25.248 1.00 76.64 N ATOM 1614 NH2 ARG B 199 -21.232 18.080 27.036 1.00 86.15 N ATOM 0 H ARG B 199 -14.783 18.254 26.283 1.00 24.38 H new ATOM 0 HA ARG B 199 -14.692 15.850 25.174 1.00 27.33 H new ATOM 0 HB2 ARG B 199 -16.746 17.711 25.059 1.00 30.68 H new ATOM 0 HB3 ARG B 199 -16.823 16.411 24.202 1.00 30.68 H new ATOM 0 HG2 ARG B 199 -16.615 15.137 26.306 1.00 36.41 H new ATOM 0 HG3 ARG B 199 -16.821 16.486 27.061 1.00 36.41 H new ATOM 0 HD2 ARG B 199 -18.660 15.960 25.063 1.00 60.81 H new ATOM 0 HD3 ARG B 199 -18.779 15.035 26.313 1.00 60.81 H new ATOM 0 HE ARG B 199 -19.005 17.342 27.348 1.00 63.57 H new ATOM 0 HH11 ARG B 199 -20.782 16.128 24.747 1.00 76.64 H new ATOM 0 HH12 ARG B 199 -22.000 16.925 25.062 1.00 76.64 H new ATOM 0 HH21 ARG B 199 -20.851 18.434 27.721 1.00 86.15 H new ATOM 0 HH22 ARG B 199 -22.038 18.298 26.832 1.00 86.15 H new ATOM 1615 N ILE B 200 -14.239 18.267 23.145 1.00 35.00 N ATOM 1616 CA ILE B 200 -13.698 18.642 21.827 1.00 39.17 C ATOM 1617 C ILE B 200 -12.264 18.156 21.677 1.00 44.12 C ATOM 1618 O ILE B 200 -11.771 18.043 20.558 1.00 41.39 O ATOM 1619 CB ILE B 200 -13.728 20.160 21.539 1.00 38.31 C ATOM 1620 CG1 ILE B 200 -15.149 20.696 21.477 1.00 34.51 C ATOM 1621 CG2 ILE B 200 -12.874 20.558 20.356 1.00 39.08 C ATOM 1622 CD1 ILE B 200 -14.994 22.264 21.613 1.00 32.67 C ATOM 0 H ILE B 200 -14.422 18.941 23.647 1.00 35.00 H new ATOM 0 HA ILE B 200 -14.284 18.212 21.185 1.00 39.17 H new ATOM 0 HB ILE B 200 -13.310 20.597 22.298 1.00 38.31 H new ATOM 0 HG12 ILE B 200 -15.580 20.456 20.642 1.00 34.51 H new ATOM 0 HG13 ILE B 200 -15.694 20.333 22.192 1.00 34.51 H new ATOM 0 HG21 ILE B 200 -12.931 21.517 20.223 1.00 39.08 H new ATOM 0 HG22 ILE B 200 -11.952 20.310 20.525 1.00 39.08 H new ATOM 0 HG23 ILE B 200 -13.191 20.103 19.560 1.00 39.08 H new ATOM 0 HD11 ILE B 200 -15.870 22.680 21.582 1.00 32.67 H new ATOM 0 HD12 ILE B 200 -14.566 22.475 22.458 1.00 32.67 H new ATOM 0 HD13 ILE B 200 -14.451 22.600 20.883 1.00 32.67 H new ATOM 1623 N SER B 201 -11.516 18.033 22.769 1.00 34.67 N ATOM 1624 CA SER B 201 -10.123 17.744 22.764 1.00 37.80 C ATOM 1625 C SER B 201 -9.855 16.240 22.588 1.00 45.24 C ATOM 1626 O SER B 201 -10.705 15.369 22.947 1.00 42.81 O ATOM 1627 CB SER B 201 -9.387 18.208 24.031 1.00 41.63 C ATOM 1628 OG SER B 201 -9.286 19.585 24.137 1.00 40.15 O ATOM 1629 OXT SER B 201 -8.691 16.056 22.117 1.00 41.20 O ATOM 0 H SER B 201 -11.838 18.123 23.561 1.00 34.67 H new ATOM 0 HA SER B 201 -9.778 18.245 22.008 1.00 37.80 H new ATOM 0 HB2 SER B 201 -9.851 17.864 24.810 1.00 41.63 H new ATOM 0 HB3 SER B 201 -8.496 17.824 24.038 1.00 41.63 H new ATOM 0 HG SER B 201 -10.032 19.905 24.352 1.00 40.15 H new TER 1630 SER B 201 HETATM 1631 O1 ARD A 402 -7.324 26.316 38.943 1.00 23.25 O HETATM 1632 C1 ARD A 402 -6.305 25.794 39.849 1.00 19.58 C HETATM 1633 O2 ARD A 402 -5.126 25.530 39.577 1.00 22.80 O HETATM 1634 C2 ARD A 402 -6.887 25.189 41.100 1.00 20.53 C HETATM 1635 C3 ARD A 402 -6.262 23.805 41.445 1.00 16.51 C HETATM 1636 C4 ARD A 402 -7.024 22.775 40.571 1.00 18.96 C HETATM 1637 C5 ARD A 402 -8.593 22.867 40.848 1.00 17.56 C HETATM 1638 C6 ARD A 402 -9.164 24.227 40.457 1.00 19.59 C HETATM 1639 N1 ARD A 402 -8.301 25.188 41.268 1.00 21.50 N HETATM 1640 C7 ARD A 402 -8.837 26.117 42.016 1.00 24.40 C HETATM 1641 O3 ARD A 402 -8.024 26.932 42.578 1.00 26.08 O HETATM 1642 C8 ARD A 402 -10.239 26.214 42.452 1.00 21.78 C HETATM 1643 O4 ARD A 402 -10.805 25.360 43.238 1.00 26.48 O HETATM 1644 C9 ARD A 402 -11.147 27.180 41.768 1.00 23.29 C HETATM 1645 C10 ARD A 402 -10.676 28.589 41.951 1.00 24.32 C HETATM 1646 C11 ARD A 402 -11.721 29.598 41.216 1.00 25.18 C HETATM 1647 C12 ARD A 402 -11.783 29.168 39.731 1.00 23.99 C HETATM 1648 C13 ARD A 402 -12.195 27.681 39.600 1.00 22.52 C HETATM 1649 O5 ARD A 402 -11.148 26.860 40.272 1.00 24.44 O HETATM 1650 O6 ARD A 402 -12.472 26.936 42.273 1.00 18.76 O HETATM 1651 C42 ARD A 402 -10.751 28.837 43.527 1.00 23.94 C HETATM 1652 C14 ARD A 402 -12.003 27.281 38.016 1.00 25.62 C HETATM 1653 C15 ARD A 402 -12.427 25.769 37.931 1.00 17.19 C HETATM 1654 C49 ARD A 402 -13.768 25.549 38.327 1.00 20.89 C HETATM 1655 C16 ARD A 402 -12.254 25.258 36.424 1.00 23.21 C HETATM 1656 C43 ARD A 402 -12.193 23.798 36.446 1.00 23.58 C HETATM 1657 C17 ARD A 402 -11.957 26.071 35.452 1.00 22.92 C HETATM 1658 C18 ARD A 402 -11.590 25.484 34.064 1.00 24.56 C HETATM 1659 C19 ARD A 402 -11.384 26.306 33.068 1.00 22.84 C HETATM 1660 C20 ARD A 402 -11.037 25.512 31.863 1.00 23.81 C HETATM 1661 C21 ARD A 402 -10.686 26.238 30.769 1.00 25.96 C HETATM 1662 C22 ARD A 402 -10.224 25.554 29.453 1.00 24.54 C HETATM 1663 C44 ARD A 402 -10.898 26.099 28.136 1.00 23.01 C HETATM 1664 C23 ARD A 402 -8.739 25.784 29.282 1.00 20.69 C HETATM 1665 C24 ARD A 402 -7.727 25.277 30.344 1.00 23.72 C HETATM 1666 C45 ARD A 402 -7.641 23.759 30.194 1.00 23.20 C HETATM 1667 C25 ARD A 402 -6.392 25.952 30.190 1.00 23.85 C HETATM 1668 O8 ARD A 402 -5.391 25.387 29.692 1.00 26.94 O HETATM 1669 C26 ARD A 402 -6.174 27.325 30.981 1.00 24.82 C HETATM 1670 O9 ARD A 402 -4.899 27.933 30.484 1.00 29.90 O HETATM 1671 C50 ARD A 402 -4.881 28.496 29.220 1.00 33.37 C HETATM 1672 C27 ARD A 402 -5.837 27.109 32.452 1.00 24.51 C HETATM 1673 O10 ARD A 402 -4.741 26.173 32.551 1.00 24.52 O HETATM 1674 C28 ARD A 402 -7.089 26.663 33.269 1.00 19.45 C HETATM 1675 C46 ARD A 402 -8.164 27.717 33.271 1.00 19.33 C HETATM 1676 C29 ARD A 402 -7.094 25.427 33.844 1.00 22.42 C HETATM 1677 C30 ARD A 402 -8.393 24.993 34.620 1.00 21.17 C HETATM 1678 C47 ARD A 402 -8.635 23.510 34.289 1.00 19.92 C HETATM 1679 C31 ARD A 402 -7.970 25.121 36.076 1.00 23.25 C HETATM 1680 O11 ARD A 402 -7.464 24.217 36.748 1.00 19.83 O HETATM 1681 C32 ARD A 402 -8.045 26.590 36.604 1.00 22.05 C HETATM 1682 C33 ARD A 402 -6.830 26.715 37.690 1.00 25.84 C HETATM 1683 C34 ARD A 402 -6.670 28.226 38.062 1.00 22.84 C HETATM 1684 C48 ARD A 402 -8.083 28.821 38.496 1.00 21.63 C HETATM 1685 C35 ARD A 402 -6.245 29.130 36.861 1.00 21.47 C HETATM 1686 C36 ARD A 402 -5.038 28.585 36.123 1.00 24.13 C HETATM 1687 C37 ARD A 402 -4.541 29.754 35.079 1.00 17.89 C HETATM 1688 C38 ARD A 402 -3.222 29.374 34.359 1.00 29.63 C HETATM 1689 O12 ARD A 402 -2.846 30.505 33.596 1.00 36.48 O HETATM 1690 C51 ARD A 402 -3.740 30.777 32.399 1.00 35.68 C HETATM 1691 C39 ARD A 402 -2.084 29.283 35.437 1.00 31.78 C HETATM 1692 O13 ARD A 402 -0.860 28.923 34.643 1.00 31.61 O HETATM 1693 C40 ARD A 402 -2.467 28.137 36.380 1.00 25.30 C HETATM 1694 C41 ARD A 402 -3.849 28.423 37.021 1.00 27.78 C HETATM 1695 C52 ARD A 402 -16.191 25.375 38.899 1.00 25.25 C HETATM 1696 C53 ARD A 402 -15.356 24.659 39.863 1.00 25.25 C HETATM 1697 C54 ARD A 402 -14.028 24.806 39.547 1.00 23.99 C HETATM 1698 C55 ARD A 402 -17.605 25.362 38.982 1.00 23.32 C HETATM 1699 S1 ARD A 402 -15.304 26.058 37.697 1.00 24.10 S HETATM 0 H553 ARD A 402 -17.925 24.449 38.912 1.00 23.32 H new HETATM 0 H552 ARD A 402 -17.883 25.737 39.832 1.00 23.32 H new HETATM 0 H551 ARD A 402 -17.977 25.891 38.259 1.00 23.32 H new HETATM 0 H513 ARD A 402 -3.722 30.013 31.801 1.00 35.68 H new HETATM 0 H512 ARD A 402 -4.649 30.929 32.702 1.00 35.68 H new HETATM 0 H511 ARD A 402 -3.421 31.563 31.928 1.00 35.68 H new HETATM 0 H503 ARD A 402 -5.104 27.820 28.561 1.00 33.37 H new HETATM 0 H502 ARD A 402 -5.530 29.216 29.177 1.00 33.37 H new HETATM 0 H501 ARD A 402 -3.996 28.848 29.035 1.00 33.37 H new HETATM 0 H483 ARD A 402 -8.710 28.735 37.761 1.00 21.63 H new HETATM 0 H482 ARD A 402 -8.417 28.333 39.265 1.00 21.63 H new HETATM 0 H481 ARD A 402 -7.983 29.758 38.726 1.00 21.63 H new HETATM 0 H473 ARD A 402 -8.756 23.407 33.332 1.00 19.92 H new HETATM 0 H472 ARD A 402 -7.871 22.985 34.576 1.00 19.92 H new HETATM 0 H471 ARD A 402 -9.431 23.201 34.750 1.00 19.92 H new HETATM 0 H463 ARD A 402 -7.818 28.532 33.667 1.00 19.33 H new HETATM 0 H462 ARD A 402 -8.444 27.895 32.360 1.00 19.33 H new HETATM 0 H461 ARD A 402 -8.923 27.404 33.787 1.00 19.33 H new HETATM 0 H453 ARD A 402 -8.517 23.369 30.343 1.00 23.20 H new HETATM 0 H452 ARD A 402 -7.337 23.539 29.300 1.00 23.20 H new HETATM 0 H451 ARD A 402 -7.015 23.404 30.844 1.00 23.20 H new HETATM 0 H443 ARD A 402 -11.858 25.974 28.188 1.00 23.01 H new HETATM 0 H442 ARD A 402 -10.701 27.044 28.038 1.00 23.01 H new HETATM 0 H441 ARD A 402 -10.550 25.616 27.370 1.00 23.01 H new HETATM 0 H433 ARD A 402 -11.438 23.514 36.985 1.00 23.58 H new HETATM 0 H432 ARD A 402 -13.012 23.445 36.827 1.00 23.58 H new HETATM 0 H431 ARD A 402 -12.088 23.465 35.541 1.00 23.58 H new HETATM 0 H423 ARD A 402 -11.665 28.720 43.830 1.00 23.94 H new HETATM 0 H422 ARD A 402 -10.176 28.202 43.982 1.00 23.94 H new HETATM 0 H421 ARD A 402 -10.458 29.740 43.727 1.00 23.94 H new HETATM 0 H412 ARD A 402 -3.767 29.232 37.549 1.00 27.78 H new HETATM 0 H411 ARD A 402 -4.043 27.700 37.638 1.00 27.78 H new HETATM 0 H402 ARD A 402 -2.495 27.300 35.890 1.00 25.30 H new HETATM 0 H401 ARD A 402 -1.795 28.038 37.072 1.00 25.30 H new HETATM 0 H372 ARD A 402 -5.234 29.912 34.419 1.00 17.89 H new HETATM 0 H371 ARD A 402 -4.416 30.585 35.563 1.00 17.89 H new HETATM 0 H352 ARD A 402 -6.988 29.212 36.243 1.00 21.47 H new HETATM 0 H351 ARD A 402 -6.046 30.022 37.186 1.00 21.47 H new HETATM 0 H322 ARD A 402 -7.937 27.228 35.882 1.00 22.05 H new HETATM 0 H321 ARD A 402 -8.904 26.771 37.016 1.00 22.05 H new HETATM 0 H232 ARD A 402 -8.485 25.387 28.434 1.00 20.69 H new HETATM 0 H231 ARD A 402 -8.607 26.741 29.197 1.00 20.69 H new HETATM 0 H142 ARD A 402 -12.556 27.835 37.443 1.00 25.62 H new HETATM 0 H141 ARD A 402 -11.085 27.406 37.730 1.00 25.62 H new HETATM 0 H122 ARD A 402 -12.418 29.726 39.256 1.00 23.99 H new HETATM 0 H121 ARD A 402 -10.918 29.305 39.315 1.00 23.99 H new HETATM 0 H112 ARD A 402 -12.598 29.545 41.627 1.00 25.18 H new HETATM 0 H111 ARD A 402 -11.425 30.518 41.296 1.00 25.18 H new HETATM 0 HO6 ARD A 402 -12.561 26.118 42.444 1.00 18.76 H new HETATM 0 HO1 ARD A 402 -4.527 26.076 33.357 1.00 24.52 H new HETATM 0 HO' ARD A 402 -0.793 28.087 34.595 1.00 31.61 H new HETATM 0 H62 ARD A 402 -9.089 24.390 39.504 1.00 19.59 H new HETATM 0 H61 ARD A 402 -10.104 24.304 40.685 1.00 19.59 H new HETATM 0 H54 ARD A 402 -13.317 24.441 40.097 1.00 23.99 H new HETATM 0 H53 ARD A 402 -15.693 24.152 40.618 1.00 25.25 H new HETATM 0 H52 ARD A 402 -9.050 22.170 40.351 1.00 17.56 H new HETATM 0 H51 ARD A 402 -8.765 22.703 41.789 1.00 17.56 H new HETATM 0 H42 ARD A 402 -6.845 22.942 39.633 1.00 18.96 H new HETATM 0 H41 ARD A 402 -6.707 21.879 40.765 1.00 18.96 H new HETATM 0 H39 ARD A 402 -1.945 30.090 35.958 1.00 31.78 H new HETATM 0 H38 ARD A 402 -3.338 28.556 33.851 1.00 29.63 H new HETATM 0 H36 ARD A 402 -5.301 27.740 35.727 1.00 24.13 H new HETATM 0 H34 ARD A 402 -5.992 28.239 38.756 1.00 22.84 H new HETATM 0 H33 ARD A 402 -6.061 26.246 37.330 1.00 25.84 H new HETATM 0 H32 ARD A 402 -5.312 23.793 41.250 1.00 16.51 H new HETATM 0 H31 ARD A 402 -6.361 23.603 42.389 1.00 16.51 H new HETATM 0 H30 ARD A 402 -9.191 25.503 34.410 1.00 21.17 H new HETATM 0 H29 ARD A 402 -6.327 24.838 33.778 1.00 22.42 H new HETATM 0 H27 ARD A 402 -5.556 27.949 32.847 1.00 24.51 H new HETATM 0 H26 ARD A 402 -6.987 27.841 30.861 1.00 24.82 H new HETATM 0 H24 ARD A 402 -8.023 25.498 31.241 1.00 23.72 H new HETATM 0 H22 ARD A 402 -10.479 24.623 29.553 1.00 24.54 H new HETATM 0 H21 ARD A 402 -10.725 27.206 30.811 1.00 25.96 H new HETATM 0 H20 ARD A 402 -11.059 24.542 31.857 1.00 23.81 H new HETATM 0 H2 ARD A 402 -6.611 25.845 41.760 1.00 20.53 H new HETATM 0 H19 ARD A 402 -11.447 27.273 33.110 1.00 22.84 H new HETATM 0 H18 ARD A 402 -11.515 24.525 33.937 1.00 24.56 H new HETATM 0 H17 ARD A 402 -11.965 27.031 35.594 1.00 22.92 H new HETATM 0 H15 ARD A 402 -11.854 25.280 38.542 1.00 17.19 H new HETATM 0 H13 ARD A 402 -13.088 27.544 39.952 1.00 22.52 H new HETATM 0 H10 ARD A 402 -9.789 28.736 41.586 1.00 24.32 H new HETATM 1700 O HOH A 203 1.328 7.381 49.907 1.00 28.02 O HETATM 1701 O HOH A 204 -3.923 32.350 47.015 1.00 25.45 O HETATM 1702 O HOH A 205 -10.165 14.679 48.292 1.00 26.99 O HETATM 1703 O HOH A 210 -18.991 12.778 45.799 1.00 29.27 O HETATM 1704 O HOH A 214 -6.622 19.734 31.189 1.00 39.88 O HETATM 1705 O HOH A 215 -12.442 17.557 34.548 1.00 29.19 O HETATM 1706 O HOH A 217 -0.463 20.239 54.548 1.00 25.28 O HETATM 1707 O HOH A 219 -6.804 4.246 31.046 1.00 60.71 O HETATM 1708 O HOH A 221 0.870 29.610 36.668 1.00 38.33 O HETATM 1709 O HOH A 223 4.963 16.512 56.335 1.00 51.72 O HETATM 1710 O HOH A 224 -0.034 21.656 33.946 1.00 26.92 O HETATM 1711 O HOH A 226 -12.580 16.131 49.355 1.00 30.83 O HETATM 1712 O HOH A 232 -21.134 24.527 50.016 1.00 55.54 O HETATM 1713 O HOH A 233 -14.713 13.775 35.350 1.00 35.81 O HETATM 1714 O HOH A 234 -4.973 22.645 27.446 1.00 51.64 O HETATM 1715 O HOH A 235 3.053 8.580 47.823 1.00 37.16 O HETATM 1716 O HOH A 240 -8.221 6.091 45.669 1.00 44.43 O HETATM 1717 O HOH A 241 7.619 5.743 47.845 1.00 48.56 O HETATM 1718 O HOH A 242 -7.222 7.599 49.434 1.00 47.98 O HETATM 1719 O HOH A 244 4.259 19.369 37.765 1.00 37.17 O HETATM 1720 O HOH A 246 0.457 43.331 47.999 1.00 58.25 O HETATM 1721 O HOH A 247 4.108 33.120 49.748 1.00 57.61 O HETATM 1722 O HOH A 248 -4.972 18.585 28.967 1.00 58.51 O HETATM 1723 O HOH A 249 1.604 26.921 37.411 1.00 36.74 O HETATM 1724 O HOH A 250 4.587 14.243 54.639 1.00 37.11 O HETATM 1725 O HOH A 252 7.396 17.103 57.124 1.00 47.42 O HETATM 1726 O HOH A 254 -1.200 32.332 57.815 1.00 29.60 O HETATM 1727 O HOH A 255 -6.130 10.196 57.940 1.00 51.04 O HETATM 1728 O HOH A 256 -1.713 3.913 36.388 1.00 47.67 O HETATM 1729 O HOH A 258 -2.270 26.992 31.485 1.00 42.72 O HETATM 1730 O HOH A 260 0.379 5.070 35.278 1.00 40.87 O HETATM 1731 O HOH A 262 -11.356 8.566 49.691 1.00 48.71 O HETATM 1732 O HOH A 263 7.583 13.080 28.044 1.00 60.63 O HETATM 1733 O HOH A 264 -4.422 35.081 47.097 1.00 37.82 O HETATM 1734 O HOH A 265 6.645 11.072 46.861 1.00 50.99 O HETATM 1735 O HOH A 267 -7.233 3.867 40.065 1.00 44.26 O HETATM 1736 O HOH A 268 -18.459 23.214 45.120 1.00 45.00 O HETATM 1737 O HOH A 269 -6.483 4.786 33.602 1.00 54.26 O HETATM 1738 O HOH A 275 7.970 31.986 45.038 1.00 60.18 O HETATM 1739 O HOH A 276 -6.884 41.849 43.951 1.00 50.15 O HETATM 1740 O HOH A 278 5.305 17.560 36.387 1.00 41.98 O HETATM 1741 O HOH A 279 -14.704 17.873 36.315 1.00 47.42 O HETATM 1742 O HOH A 281 3.227 13.084 52.294 1.00 48.54 O HETATM 1743 O HOH A 283 -2.949 29.188 59.987 1.00 39.14 O HETATM 1744 O HOH A 284 0.491 29.602 41.171 1.00 36.73 O HETATM 1745 O HOH A 288 -14.389 12.754 53.207 1.00 54.04 O HETATM 1746 O HOH A 290 5.826 -3.010 43.944 1.00 44.60 O HETATM 1747 O HOH A 291 10.949 29.132 39.157 1.00 67.03 O HETATM 1748 O HOH A 292 4.060 25.818 37.179 1.00 70.19 O HETATM 1749 O HOH A 294 -4.633 25.842 58.009 1.00 42.67 O HETATM 1750 O HOH A 297 7.730 19.278 40.158 1.00 60.33 O HETATM 1751 O HOH A 298 4.934 13.871 49.892 1.00 58.68 O HETATM 1752 O HOH A 299 -1.582 20.777 58.694 1.00 44.53 O HETATM 1753 O HOH A 303 -6.795 31.619 53.547 1.00 37.67 O HETATM 1754 O HOH A 304 2.633 26.450 52.728 1.00 45.88 O HETATM 1755 O HOH A 305 -14.224 32.104 49.349 1.00 45.90 O HETATM 1756 O HOH A 306 -23.629 20.282 44.392 1.00 66.95 O HETATM 1757 O HOH A 309 -9.188 38.695 45.461 1.00 39.12 O HETATM 1758 O HOH A 311 -11.457 6.540 46.663 1.00 49.69 O HETATM 1759 O HOH A 313 -12.017 17.777 53.035 1.00 38.11 O HETATM 1760 O HOH A 315 -2.266 22.700 28.617 1.00 48.23 O HETATM 1761 O HOH A 316 -4.387 4.883 37.305 1.00 36.28 O HETATM 1762 O HOH A 317 -13.997 20.394 36.064 1.00 39.12 O HETATM 1763 O HOH A 318 -3.333 12.996 25.853 1.00 55.61 O HETATM 1764 O HOH A 323 -5.671 4.801 51.625 1.00 62.35 O HETATM 1765 O HOH A 324 -11.426 10.648 54.978 1.00 65.56 O HETATM 1766 O HOH A 325 -17.522 26.175 54.733 1.00 33.27 O HETATM 1767 O HOH A 326 -22.310 15.767 37.647 1.00 68.88 O HETATM 1768 O HOH A 328 -8.304 34.105 52.782 1.00 50.41 O HETATM 1769 O HOH A 330 6.251 30.985 42.658 1.00 49.46 O HETATM 1770 O HOH A 331 0.640 0.800 38.399 1.00 51.24 O HETATM 1771 O HOH A 332 2.801 -4.260 47.752 1.00 68.79 O HETATM 1772 O HOH A 333 -3.781 9.322 60.031 1.00 60.57 O HETATM 1773 O HOH A 337 2.635 36.198 46.777 1.00 45.73 O HETATM 1774 O HOH A 338 -3.207 4.869 32.412 1.00 49.05 O HETATM 1775 O HOH A 339 -0.037 2.173 55.181 1.00 50.99 O HETATM 1776 O HOH A 341 -14.861 10.567 28.931 1.00 47.43 O HETATM 1777 O HOH A 342 -18.920 16.624 49.103 1.00 38.75 O HETATM 1778 O HOH A 343 -13.861 20.676 39.743 1.00 30.97 O HETATM 1779 O HOH A 345 -0.559 14.812 34.709 1.00 44.82 O HETATM 1780 O HOH A 348 -0.811 38.320 42.656 1.00 49.85 O HETATM 1781 O HOH A 350 -15.347 40.002 42.500 1.00 41.73 O HETATM 1782 O HOH A 351 -2.727 23.492 57.239 1.00 42.42 O HETATM 1783 O HOH A 353 9.018 24.935 45.555 1.00 48.14 O HETATM 1784 O HOH A 355 -12.205 19.014 56.139 1.00 45.53 O HETATM 1785 O HOH A 356 -15.929 18.657 38.964 1.00 40.12 O HETATM 1786 O HOH A 359 7.158 23.667 48.405 1.00 60.55 O HETATM 1787 O HOH A 362 -13.609 22.994 56.517 1.00 34.27 O HETATM 1788 O HOH A 364 -0.504 30.182 38.715 1.00 43.21 O HETATM 1789 O HOH A 368 -4.265 32.778 54.387 1.00 49.46 O HETATM 1790 O HOH A 369 5.160 13.229 38.832 1.00 41.09 O HETATM 1791 O HOH A 370 3.259 12.315 48.834 1.00 38.64 O HETATM 1792 O HOH A 372 -0.187 34.970 53.820 1.00 50.35 O HETATM 1793 O HOH A 373 -18.087 19.208 36.756 1.00 41.83 O HETATM 1794 O HOH A 375 2.166 13.871 34.633 1.00 44.79 O HETATM 1795 O HOH A 378 -8.108 5.282 43.214 1.00 41.63 O HETATM 1796 O HOH A 380 5.254 6.657 49.245 1.00 40.64 O HETATM 1797 O HOH A 381 8.520 -3.038 40.482 1.00 51.51 O HETATM 1798 O HOH A 383 0.792 -0.973 43.279 1.00 54.81 O HETATM 1799 O HOH A 393 6.443 20.106 48.507 1.00 45.90 O HETATM 1800 O HOH A 395 -6.991 2.991 44.576 1.00 47.78 O HETATM 1801 O HOH A 397 -7.461 34.204 38.839 1.00 56.50 O HETATM 1802 O HOH A 398 -9.334 7.959 51.246 1.00 52.20 O HETATM 1803 O HOH A 399 -11.712 38.110 48.203 1.00 53.21 O HETATM 1804 O HOH A 400 -25.280 11.560 43.332 1.00 65.25 O HETATM 1805 O HOH B 202 -11.996 31.124 17.847 1.00 30.65 O HETATM 1806 O HOH B 206 -26.772 21.927 29.936 1.00 40.86 O HETATM 1807 O HOH B 207 -25.074 16.113 10.949 1.00 27.78 O HETATM 1808 O HOH B 208 -28.642 21.304 15.349 1.00 33.14 O HETATM 1809 O HOH B 209 -24.475 29.566 22.520 1.00 33.00 O HETATM 1810 O HOH B 211 -13.686 35.085 19.351 1.00 29.33 O HETATM 1811 O HOH B 212 -17.104 16.673 18.451 1.00 37.32 O HETATM 1812 O HOH B 213 -27.722 16.013 10.137 1.00 33.41 O HETATM 1813 O HOH B 216 -25.205 26.827 21.896 1.00 29.68 O HETATM 1814 O HOH B 218 -8.407 18.770 27.047 1.00 44.88 O HETATM 1815 O HOH B 220 -15.812 43.762 26.307 1.00 39.03 O HETATM 1816 O HOH B 222 -17.854 38.821 42.717 1.00 34.75 O HETATM 1817 O HOH B 225 -24.589 20.050 25.139 1.00 29.42 O HETATM 1818 O HOH B 227 -11.819 43.357 32.727 1.00 31.90 O HETATM 1819 O HOH B 228 -18.206 25.060 9.464 1.00 34.62 O HETATM 1820 O HOH B 229 -30.183 36.575 36.525 1.00 51.72 O HETATM 1821 O HOH B 230 -16.211 40.804 20.550 1.00 34.38 O HETATM 1822 O HOH B 231 -2.630 32.224 38.285 1.00 47.13 O HETATM 1823 O HOH B 236 -28.910 14.886 12.471 1.00 43.34 O HETATM 1824 O HOH B 237 -26.037 36.694 8.272 1.00 49.07 O HETATM 1825 O HOH B 238 -22.959 28.836 10.294 1.00 41.60 O HETATM 1826 O HOH B 239 -20.909 27.735 7.744 1.00 42.46 O HETATM 1827 O HOH B 243 -19.927 35.813 15.302 1.00 36.22 O HETATM 1828 O HOH B 245 -6.417 30.204 21.908 1.00 39.15 O HETATM 1829 O HOH B 251 -9.870 15.631 26.686 1.00 41.41 O HETATM 1830 O HOH B 253 -15.975 20.581 33.721 1.00 33.83 O HETATM 1831 O HOH B 257 -25.860 32.199 5.676 1.00 45.70 O HETATM 1832 O HOH B 259 -18.086 22.373 12.077 1.00 31.39 O HETATM 1833 O HOH B 270 -9.425 35.827 37.420 1.00 42.45 O HETATM 1834 O HOH B 271 -25.703 39.717 27.420 1.00 64.54 O HETATM 1835 O HOH B 272 -5.496 32.624 38.301 1.00 41.58 O HETATM 1836 O HOH B 273 -14.984 28.060 42.868 1.00 43.59 O HETATM 1837 O HOH B 277 -30.136 42.748 39.193 1.00 50.15 O HETATM 1838 O HOH B 280 -28.281 24.809 20.987 1.00 51.21 O HETATM 1839 O HOH B 282 -9.669 31.712 8.873 1.00 63.50 O HETATM 1840 O HOH B 285 -6.065 16.288 30.577 1.00 46.95 O HETATM 1841 O HOH B 287 -25.773 34.861 21.258 1.00 38.21 O HETATM 1842 O HOH B 289 -17.594 28.694 10.446 1.00 43.26 O HETATM 1843 O HOH B 293 -16.017 39.663 16.298 1.00 60.81 O HETATM 1844 O HOH B 295 -26.718 20.064 22.887 1.00 34.93 O HETATM 1845 O HOH B 296 -5.159 42.582 37.397 1.00 65.43 O HETATM 1846 O HOH B 300 -12.705 37.372 19.030 1.00 62.27 O HETATM 1847 O HOH B 301 -30.330 43.997 35.245 1.00 49.37 O HETATM 1848 O HOH B 302 -6.883 25.385 19.409 1.00 41.72 O HETATM 1849 O HOH B 307 -11.258 33.049 19.408 1.00 59.91 O HETATM 1850 O HOH B 308 -26.766 21.565 3.230 1.00 66.87 O HETATM 1851 O HOH B 312 -29.069 22.053 20.453 1.00 51.96 O HETATM 1852 O HOH B 319 -29.844 26.253 11.056 1.00 52.36 O HETATM 1853 O HOH B 320 -2.006 33.639 36.247 1.00 67.92 O HETATM 1854 O HOH B 321 -28.296 35.361 39.775 1.00 51.76 O HETATM 1855 O HOH B 322 -26.958 26.636 19.436 1.00 47.58 O HETATM 1856 O HOH B 327 -19.372 43.150 18.604 1.00 57.56 O HETATM 1857 O HOH B 329 -30.222 26.431 15.404 1.00 61.34 O HETATM 1858 O HOH B 334 -23.874 38.905 20.455 1.00 55.06 O HETATM 1859 O HOH B 335 -5.745 44.603 29.891 1.00 55.94 O HETATM 1860 O HOH B 336 -6.802 26.056 16.154 1.00 68.64 O HETATM 1861 O HOH B 344 -11.170 23.968 10.924 1.00 31.80 O HETATM 1862 O HOH B 346 -10.212 30.426 6.547 1.00 38.85 O HETATM 1863 O HOH B 347 -30.029 35.031 14.512 1.00 42.57 O HETATM 1864 O HOH B 349 -22.790 19.675 5.047 1.00 37.01 O HETATM 1865 O HOH B 352 -5.070 40.942 28.824 1.00 39.03 O HETATM 1866 O HOH B 354 -25.458 35.104 41.872 1.00 47.18 O HETATM 1867 O HOH B 357 -7.757 26.426 13.547 1.00 52.50 O HETATM 1868 O HOH B 358 -14.487 18.965 32.334 1.00 43.40 O HETATM 1869 O HOH B 360 -7.301 20.205 28.698 1.00 47.14 O HETATM 1870 O HOH B 361 -20.787 23.783 40.696 1.00 51.19 O HETATM 1871 O HOH B 363 -14.083 32.405 38.543 1.00 45.09 O HETATM 1872 O HOH B 365 -21.574 36.193 26.580 1.00 46.37 O HETATM 1873 O HOH B 366 -16.706 28.504 7.824 1.00 43.34 O HETATM 1874 O HOH B 367 -6.067 21.121 24.067 1.00 50.47 O HETATM 1875 O HOH B 371 -21.972 24.683 35.658 1.00 32.56 O HETATM 1876 O HOH B 374 -18.128 13.380 7.069 1.00 45.72 O HETATM 1877 O HOH B 376 -29.322 18.103 8.933 1.00 46.34 O HETATM 1878 O HOH B 377 -24.410 24.001 35.649 1.00 41.59 O HETATM 1879 O HOH B 379 -17.721 27.802 42.732 1.00 53.65 O HETATM 1880 O HOH B 382 -28.115 39.534 28.165 1.00 44.68 O HETATM 1881 O HOH B 384 -29.226 33.924 32.418 1.00 45.66 O HETATM 1882 O HOH B 385 -4.937 30.863 24.153 1.00 43.40 O HETATM 1883 O HOH B 386 -12.343 44.426 35.765 1.00 48.73 O HETATM 1884 O HOH B 387 -2.740 25.942 27.545 1.00 58.82 O HETATM 1885 O HOH B 388 -8.603 29.692 9.976 1.00 56.52 O HETATM 1886 O HOH B 389 -29.716 33.925 11.351 1.00 58.82 O HETATM 1887 O HOH B 390 -19.115 41.998 26.078 1.00 45.84 O HETATM 1888 O HOH B 391 -22.494 35.682 13.872 1.00 47.53 O HETATM 1889 O HOH B 392 -29.274 21.497 12.269 1.00 49.51 O HETATM 1890 O HOH B 394 -17.905 35.897 13.695 1.00 52.65 O HETATM 1891 O HOH B 396 -6.036 12.012 24.608 1.00 56.44 O HETATM 1892 O HOH B 401 -1.439 34.091 30.352 1.00 57.13 O CONECT 1631 1632 1682 CONECT 1632 1631 1633 1634 CONECT 1633 1632 CONECT 1634 1632 1635 1639 CONECT 1635 1634 1636 CONECT 1636 1635 1637 CONECT 1637 1636 1638 CONECT 1638 1637 1639 CONECT 1639 1634 1638 1640 CONECT 1640 1639 1641 1642 CONECT 1641 1640 CONECT 1642 1640 1643 1644 CONECT 1643 1642 CONECT 1644 1642 1645 1649 1650 CONECT 1645 1644 1646 1651 CONECT 1646 1645 1647 CONECT 1647 1646 1648 CONECT 1648 1647 1649 1652 CONECT 1649 1644 1648 CONECT 1650 1644 CONECT 1651 1645 CONECT 1652 1648 1653 CONECT 1653 1652 1654 1655 CONECT 1654 1653 1697 1699 CONECT 1655 1653 1656 1657 CONECT 1656 1655 CONECT 1657 1655 1658 CONECT 1658 1657 1659 CONECT 1659 1658 1660 CONECT 1660 1659 1661 CONECT 1661 1660 1662 CONECT 1662 1661 1663 1664 CONECT 1663 1662 CONECT 1664 1662 1665 CONECT 1665 1664 1666 1667 CONECT 1666 1665 CONECT 1667 1665 1668 1669 CONECT 1668 1667 CONECT 1669 1667 1670 1672 CONECT 1670 1669 1671 CONECT 1671 1670 CONECT 1672 1669 1673 1674 CONECT 1673 1672 CONECT 1674 1672 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 CONECT 1677 1676 1678 1679 CONECT 1678 1677 CONECT 1679 1677 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 CONECT 1682 1631 1681 1683 CONECT 1683 1682 1684 1685 CONECT 1684 1683 CONECT 1685 1683 1686 CONECT 1686 1685 1687 1694 CONECT 1687 1686 1688 CONECT 1688 1687 1689 1691 CONECT 1689 1688 1690 CONECT 1690 1689 CONECT 1691 1688 1692 1693 CONECT 1692 1691 CONECT 1693 1691 1694 CONECT 1694 1686 1693 CONECT 1695 1696 1698 1699 CONECT 1696 1695 1697 CONECT 1697 1654 1696 CONECT 1698 1695 CONECT 1699 1654 1695 END