USER MOD reduce.3.24.130724 H: found=0, std=0, add=1425, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 17-APR-02 1LHO TITLE CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN TITLE 2 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17BETA-DIOL COMPND MOL_ID: 1; COMPND 2 MOLECULE: SEX HORMONE-BINDING GLOBULIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LG-LIKE 1 DOMAIN, RESIDUES 30-218; COMPND 5 SYNONYM: SHBG, SEX STEROID-BINDING PROTEIN, SBP, TESTIS- COMPND 6 SPECIFIC ANDROGEN-BINDING PROTEIN, ABP; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM109; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS SHBG, 17B-DHA, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR I.GRISHKOVSKAYA,G.V.AVVAKUMOV,G.L.HAMMOND,M.G.CATALANO, AUTHOR 2 Y.A.MULLER REVDAT 2 24-FEB-09 1LHO 1 VERSN REVDAT 1 23-OCT-02 1LHO 0 JRNL AUTH I.GRISHKOVSKAYA,G.V.AVVAKUMOV,G.L.HAMMOND, JRNL AUTH 2 M.G.CATALANO,Y.A.MULLER JRNL TITL STEROID LIGANDS BIND HUMAN SEX HORMONE-BINDING JRNL TITL 2 GLOBULIN IN SPECIFIC ORIENTATIONS AND PRODUCE JRNL TITL 3 DISTINCT CHANGES IN PROTEIN CONFORMATION JRNL REF J.BIOL.CHEM. V. 277 32086 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 12065592 JRNL DOI 10.1074/JBC.M203999200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.14 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 10350 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) : 0.187 REMARK 3 FREE R VALUE : 0.223 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1114 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1401 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 22 REMARK 3 SOLVENT ATOMS : 93 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 1.550 REMARK 3 BOND ANGLES (DEGREES) : 0.01 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LHO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015948. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-APR-00 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11464 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.4 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.04300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.7 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.23600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1D2S REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.22 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, CALCIUM CHLORIDE, 17B-DHA, REMARK 280 PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z REMARK 290 6555 -X,-X+Y,-Z REMARK 290 7555 X+2/3,Y+1/3,Z+1/3 REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3 REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3 REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3 REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 REMARK 290 13555 X+1/3,Y+2/3,Z+2/3 REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3 REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3 REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3 REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 51.94600 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 29.99104 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 28.19300 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 51.94600 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 29.99104 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 28.19300 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 51.94600 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 29.99104 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 28.19300 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 51.94600 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 29.99104 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 28.19300 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 51.94600 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 29.99104 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 28.19300 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 51.94600 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 29.99104 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 28.19300 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 59.98207 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 56.38600 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 59.98207 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 56.38600 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 59.98207 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 56.38600 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 59.98207 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 56.38600 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 59.98207 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 56.38600 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 59.98207 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 56.38600 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 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 84.57900 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 480 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU A 1 REMARK 465 ARG A 2 REMARK 465 PRO A 3 REMARK 465 VAL A 4 REMARK 465 LEU A 5 REMARK 465 PRO A 6 REMARK 465 THR A 7 REMARK 465 GLN A 8 REMARK 465 SER A 9 REMARK 465 ALA A 10 REMARK 465 HIS A 11 REMARK 465 ASP A 12 REMARK 465 ASP A 189 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 478 O HOH A 478 4556 1.37 REMARK 500 O HOH A 481 O HOH A 481 5556 1.56 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 ASN A 61 114.55 -162.76 REMARK 500 ASP A 65 74.49 -150.99 REMARK 500 ASP A 96 46.34 -91.23 REMARK 500 ARG A 135 -82.82 -48.24 REMARK 500 LEU A 171 -127.47 50.83 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 401 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 50 OD2 REMARK 620 2 GLU A 52 O 97.3 REMARK 620 3 ALA A 160 O 87.6 82.4 REMARK 620 4 ASP A 50 OD1 55.6 78.8 135.3 REMARK 620 5 HOH A 417 O 165.6 86.5 79.1 138.8 REMARK 620 6 HOH A 434 O 116.4 99.4 155.3 68.5 76.4 REMARK 620 7 HOH A 454 O 85.6 173.5 91.9 107.6 89.3 84.4 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AOM A 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D2S RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LAMININ G-LIKE DOMAINOF REMARK 900 SHBG IN COMPLEX WITH DIHYDROTESTOSTERONE REMARK 900 RELATED ID: 1F5F RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ZINC REMARK 900 RELATED ID: 1KDK RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE N-TERMINAL LG DOMAIN OF SHBG IN REMARK 900 CRYSTALS SOAKED WITH EDTA REMARK 900 RELATED ID: 1KDM RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING REMARK 900 GLOBULIN (TETRAGONAL CRYSTAL FORM) REMARK 900 RELATED ID: 1LHN RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17ALPHA-DIOL REMARK 900 RELATED ID: 1LHU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ESTRADIOL REMARK 900 RELATED ID: 1LHV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH NORGESTREL REMARK 900 RELATED ID: 1LHW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 2-METHOXYESTRADIOL DBREF 1LHO A 1 189 UNP P04278 SHBG_HUMAN 30 218 SEQRES 1 A 189 LEU ARG PRO VAL LEU PRO THR GLN SER ALA HIS ASP PRO SEQRES 2 A 189 PRO ALA VAL HIS LEU SER ASN GLY PRO GLY GLN GLU PRO SEQRES 3 A 189 ILE ALA VAL MET THR PHE ASP LEU THR LYS ILE THR LYS SEQRES 4 A 189 THR SER SER SER PHE GLU VAL ARG THR TRP ASP PRO GLU SEQRES 5 A 189 GLY VAL ILE PHE TYR GLY ASP THR ASN PRO LYS ASP ASP SEQRES 6 A 189 TRP PHE MET LEU GLY LEU ARG ASP GLY ARG PRO GLU ILE SEQRES 7 A 189 GLN LEU HIS ASN HIS TRP ALA GLN LEU THR VAL GLY ALA SEQRES 8 A 189 GLY PRO ARG LEU ASP ASP GLY ARG TRP HIS GLN VAL GLU SEQRES 9 A 189 VAL LYS MET GLU GLY ASP SER VAL LEU LEU GLU VAL ASP SEQRES 10 A 189 GLY GLU GLU VAL LEU ARG LEU ARG GLN VAL SER GLY PRO SEQRES 11 A 189 LEU THR SER LYS ARG HIS PRO ILE MET ARG ILE ALA LEU SEQRES 12 A 189 GLY GLY LEU LEU PHE PRO ALA SER ASN LEU ARG LEU PRO SEQRES 13 A 189 LEU VAL PRO ALA LEU ASP GLY CYS LEU ARG ARG ASP SER SEQRES 14 A 189 TRP LEU ASP LYS GLN ALA GLU ILE SER ALA SER ALA PRO SEQRES 15 A 189 THR SER LEU ARG SER CYS ASP HET CA A 401 1 HET AOM A 301 21 HETNAM CA CALCIUM ION HETNAM AOM 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL FORMUL 2 CA CA 2+ FORMUL 3 AOM C19 H32 O2 FORMUL 4 HOH *93(H2 O) HELIX 1 1 THR A 35 ILE A 37 5 3 HELIX 2 2 PRO A 149 LEU A 153 5 5 HELIX 3 3 ASP A 172 GLN A 174 5 3 SHEET 1 A 6 ALA A 15 HIS A 17 0 SHEET 2 A 6 GLY A 163 SER A 169 -1 O LEU A 165 N VAL A 16 SHEET 3 A 6 SER A 42 THR A 48 -1 N ARG A 47 O CYS A 164 SHEET 4 A 6 HIS A 101 GLU A 108 -1 O VAL A 103 N PHE A 44 SHEET 5 A 6 SER A 111 VAL A 116 -1 O LEU A 113 N LYS A 106 SHEET 6 A 6 GLU A 119 LEU A 124 -1 O LEU A 122 N LEU A 114 SHEET 1 B 7 GLN A 86 GLY A 90 0 SHEET 2 B 7 ARG A 75 HIS A 81 -1 N ILE A 78 O VAL A 89 SHEET 3 B 7 ASP A 65 ARG A 72 -1 N GLY A 70 O GLU A 77 SHEET 4 B 7 GLY A 53 ASN A 61 -1 N PHE A 56 O LEU A 69 SHEET 5 B 7 ILE A 138 LEU A 143 -1 O ALA A 142 N TYR A 57 SHEET 6 B 7 ALA A 28 ASP A 33 -1 N MET A 30 O ILE A 141 SHEET 7 B 7 GLU A 176 SER A 180 -1 O ILE A 177 N THR A 31 SSBOND *** CYS A 164 CYS A 188 1555 1555 2.03 LINK CA CA A 401 OD2 ASP A 50 1555 1555 2.27 LINK CA CA A 401 O GLU A 52 1555 1555 2.40 LINK CA CA A 401 O ALA A 160 1555 1555 2.39 LINK CA CA A 401 OD1 ASP A 50 1555 1555 2.44 LINK CA CA A 401 O HOH A 417 1555 1555 2.22 LINK CA CA A 401 O HOH A 434 1555 1555 2.46 LINK CA CA A 401 O HOH A 454 1555 1555 2.48 SITE *** AC1 6 ASP A 50 GLU A 52 ALA A 160 HOH A 417 SITE *** AC1 6 HOH A 434 HOH A 454 SITE *** AC2 11 THR A 40 SER A 41 SER A 42 GLY A 58 SITE *** AC2 11 ASP A 65 TRP A 66 PHE A 67 ASN A 82 SITE *** AC2 11 VAL A 105 MET A 107 HOH A 431 CRYST1 103.892 103.892 84.579 90.00 90.00 120.00 H 3 2 18 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 0.009625 0.005557 0.000000 0.00000 SCALE2 0.000000 0.011114 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011823 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot 92:sc= 0.98 USER MOD Set 1.2: A 301 AOM O3 : rot 79:sc= 1.67 USER MOD Set 2.1: A 107 MET CE :methyl -110:sc= -0.0464 (180deg=-1.79!) USER MOD Set 2.2: A 128 SER OG : rot 94:sc= 0.614 USER MOD Set 3.1: A 82 ASN : amide:sc= 1.14 K(o=3.5,f=-6.3!) USER MOD Set 3.2: A 301 AOM O17 : rot 165:sc= 2.4 USER MOD Set 4.1: A 39 LYS NZ :NH3+ -151:sc= 2 (180deg=-0.0342) USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 169 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 31 THR OG1 : rot 171:sc= 0.417 USER MOD Set 5.2: A 178 SER OG : rot -23:sc= 0.75 USER MOD Single : A 17 HIS : no HD1:sc= -4.77! K(o=-4.8!,f=-2.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.75! C(o=-2.7!,f=-7.9!) USER MOD Single : A 24 GLN : amide:sc= -5.08! K(o=-5.1!,f=-0.4) USER MOD Single : A 30 MET CE :methyl -121:sc=-0.00904 (180deg=-1.77) USER MOD Single : A 35 THR OG1 : rot -65:sc= 1.31 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 40 THR OG1 : rot -110:sc= -0.0175 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.57 USER MOD Single : A 57 TYR OH : rot -166:sc= 1.34 USER MOD Single : A 60 THR OG1 : rot -92:sc= 0.966 USER MOD Single : A 61 ASN : amide:sc= 0.269 K(o=0.27,f=-8.5!) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0.382 (180deg=0.0885) USER MOD Single : A 68 MET CE :methyl -122:sc= -1.99 (180deg=-3.75!) USER MOD Single : A 79 GLN : amide:sc= 1.54 K(o=1.5,f=-5.8!) USER MOD Single : A 81 HIS : no HE2:sc= 0.726 K(o=0.73,f=-5.7!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.9) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.366 USER MOD Single : A 101 HIS : no HE2:sc= 0.161 K(o=1.4,f=-6.4!) USER MOD Single : A 102 GLN : amide:sc= 0.964 K(o=0.96,f=-0.62!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 93:sc= 0.559 USER MOD Single : A 126 GLN : amide:sc= 0.638 X(o=0.64,f=0.63) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 1.96 (180deg=1.89) USER MOD Single : A 136 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-1.7!) USER MOD Single : A 139 MET CE :methyl -127:sc= -0.494 (180deg=-0.926) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.92) USER MOD Single : A 173 LYS NZ :NH3+ -150:sc= 0.617 (180deg=-0.0407) USER MOD Single : A 174 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.2) USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 28:sc= 0.47 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 13 45.749 24.495 31.981 1.00 54.66 N ATOM 2 CA PRO A 13 44.306 24.257 31.724 1.00 53.96 C ATOM 3 C PRO A 13 43.440 24.979 32.761 1.00 52.82 C ATOM 4 O PRO A 13 43.572 24.743 33.962 1.00 52.89 O ATOM 5 CB PRO A 13 44.090 22.753 31.786 1.00 55.21 C ATOM 6 CG PRO A 13 45.480 22.237 31.401 1.00 55.46 C ATOM 7 CD PRO A 13 46.460 23.208 32.078 1.00 54.73 C ATOM 0 HA PRO A 13 44.048 24.605 30.856 1.00 53.96 H new ATOM 0 HB2 PRO A 13 43.822 22.458 32.670 1.00 55.21 H new ATOM 0 HB3 PRO A 13 43.405 22.456 31.167 1.00 55.21 H new ATOM 0 HG2 PRO A 13 45.616 21.327 31.710 1.00 55.46 H new ATOM 0 HG3 PRO A 13 45.599 22.231 30.438 1.00 55.46 H new ATOM 0 HD2 PRO A 13 46.635 22.961 32.999 1.00 54.73 H new ATOM 0 HD3 PRO A 13 47.316 23.233 31.623 1.00 54.73 H new ATOM 8 N PRO A 14 42.547 25.877 32.302 1.00 51.15 N ATOM 9 CA PRO A 14 41.650 26.650 33.169 1.00 49.88 C ATOM 10 C PRO A 14 40.756 25.769 34.040 1.00 47.64 C ATOM 11 O PRO A 14 40.125 24.835 33.546 1.00 47.96 O ATOM 12 CB PRO A 14 40.845 27.487 32.173 1.00 50.55 C ATOM 13 CG PRO A 14 41.805 27.675 31.043 1.00 51.59 C ATOM 14 CD PRO A 14 42.388 26.290 30.897 1.00 51.55 C ATOM 0 HA PRO A 14 42.133 27.187 33.817 1.00 49.88 H new ATOM 0 HB2 PRO A 14 40.039 27.029 31.888 1.00 50.55 H new ATOM 0 HB3 PRO A 14 40.570 28.335 32.556 1.00 50.55 H new ATOM 0 HG2 PRO A 14 41.360 27.969 30.233 1.00 51.59 H new ATOM 0 HG3 PRO A 14 42.485 28.336 31.249 1.00 51.59 H new ATOM 0 HD2 PRO A 14 41.796 25.696 30.408 1.00 51.55 H new ATOM 0 HD3 PRO A 14 43.234 26.300 30.423 1.00 51.55 H new ATOM 15 N ALA A 15 40.703 26.078 35.333 1.00 45.12 N ATOM 16 CA ALA A 15 39.897 25.313 36.279 1.00 41.61 C ATOM 17 C ALA A 15 38.971 26.232 37.058 1.00 39.87 C ATOM 18 O ALA A 15 39.323 27.383 37.335 1.00 38.09 O ATOM 19 CB ALA A 15 40.806 24.553 37.242 1.00 40.21 C ATOM 0 H ALA A 15 41.132 26.735 35.685 1.00 45.12 H new ATOM 0 HA ALA A 15 39.357 24.679 35.782 1.00 41.61 H new ATOM 0 HB1 ALA A 15 40.264 24.047 37.868 1.00 40.21 H new ATOM 0 HB2 ALA A 15 41.373 23.946 36.741 1.00 40.21 H new ATOM 0 HB3 ALA A 15 41.359 25.183 37.730 1.00 40.21 H new ATOM 20 N VAL A 16 37.794 25.719 37.422 1.00 36.61 N ATOM 21 CA VAL A 16 36.823 26.505 38.177 1.00 36.45 C ATOM 22 C VAL A 16 36.427 25.876 39.514 1.00 35.72 C ATOM 23 O VAL A 16 36.465 24.651 39.684 1.00 32.96 O ATOM 24 CB VAL A 16 35.530 26.749 37.346 1.00 36.96 C ATOM 25 CG1 VAL A 16 34.926 25.427 36.899 1.00 37.85 C ATOM 26 CG2 VAL A 16 34.522 27.517 38.169 1.00 39.20 C ATOM 0 H VAL A 16 37.541 24.917 37.240 1.00 36.61 H new ATOM 0 HA VAL A 16 37.272 27.344 38.365 1.00 36.45 H new ATOM 0 HB VAL A 16 35.764 27.268 36.560 1.00 36.96 H new ATOM 0 HG11 VAL A 16 34.122 25.596 36.383 1.00 37.85 H new ATOM 0 HG12 VAL A 16 35.567 24.947 36.351 1.00 37.85 H new ATOM 0 HG13 VAL A 16 34.703 24.893 37.678 1.00 37.85 H new ATOM 0 HG21 VAL A 16 33.720 27.664 37.644 1.00 39.20 H new ATOM 0 HG22 VAL A 16 34.298 27.008 38.964 1.00 39.20 H new ATOM 0 HG23 VAL A 16 34.900 28.372 38.428 1.00 39.20 H new ATOM 27 N HIS A 17 36.056 26.729 40.466 1.00 34.52 N ATOM 28 CA HIS A 17 35.619 26.264 41.772 1.00 35.44 C ATOM 29 C HIS A 17 34.223 25.665 41.610 1.00 34.38 C ATOM 30 O HIS A 17 33.388 26.225 40.897 1.00 32.22 O ATOM 31 CB HIS A 17 35.575 27.420 42.772 1.00 36.30 C ATOM 32 CG HIS A 17 36.926 27.850 43.260 1.00 40.79 C ATOM 33 ND1 HIS A 17 37.775 28.644 42.515 1.00 41.64 N ATOM 34 CD2 HIS A 17 37.577 27.587 44.418 1.00 39.69 C ATOM 35 CE1 HIS A 17 38.888 28.851 43.196 1.00 41.02 C ATOM 36 NE2 HIS A 17 38.794 28.221 44.353 1.00 41.37 N ATOM 0 H HIS A 17 36.051 27.584 40.372 1.00 34.52 H new ATOM 0 HA HIS A 17 36.241 25.602 42.112 1.00 35.44 H new ATOM 0 HB2 HIS A 17 35.134 28.178 42.358 1.00 36.30 H new ATOM 0 HB3 HIS A 17 35.034 27.158 43.533 1.00 36.30 H new ATOM 0 HD2 HIS A 17 37.260 27.073 45.125 1.00 39.69 H new ATOM 0 HE1 HIS A 17 39.615 29.355 42.909 1.00 41.02 H new ATOM 0 HE2 HIS A 17 39.397 28.210 44.966 1.00 41.37 H new ATOM 37 N LEU A 18 33.977 24.535 42.272 1.00 33.22 N ATOM 38 CA LEU A 18 32.688 23.847 42.183 1.00 33.76 C ATOM 39 C LEU A 18 31.642 24.368 43.152 1.00 35.19 C ATOM 40 O LEU A 18 30.501 23.909 43.150 1.00 33.27 O ATOM 41 CB LEU A 18 32.865 22.340 42.399 1.00 32.19 C ATOM 42 CG LEU A 18 33.270 21.538 41.160 1.00 33.22 C ATOM 43 CD1 LEU A 18 33.479 20.065 41.525 1.00 32.99 C ATOM 44 CD2 LEU A 18 32.192 21.676 40.101 1.00 28.52 C ATOM 0 H LEU A 18 34.549 24.147 42.783 1.00 33.22 H new ATOM 0 HA LEU A 18 32.361 24.028 41.288 1.00 33.76 H new ATOM 0 HB2 LEU A 18 33.536 22.205 43.086 1.00 32.19 H new ATOM 0 HB3 LEU A 18 32.032 21.978 42.741 1.00 32.19 H new ATOM 0 HG LEU A 18 34.106 21.884 40.811 1.00 33.22 H new ATOM 0 HD11 LEU A 18 33.735 19.568 40.732 1.00 32.99 H new ATOM 0 HD12 LEU A 18 34.180 19.993 42.192 1.00 32.99 H new ATOM 0 HD13 LEU A 18 32.655 19.700 41.883 1.00 32.99 H new ATOM 0 HD21 LEU A 18 32.445 21.169 39.314 1.00 28.52 H new ATOM 0 HD22 LEU A 18 31.352 21.337 40.448 1.00 28.52 H new ATOM 0 HD23 LEU A 18 32.089 22.611 39.864 1.00 28.52 H new ATOM 45 N SER A 19 32.035 25.328 43.979 1.00 37.61 N ATOM 46 CA SER A 19 31.122 25.919 44.940 1.00 41.78 C ATOM 47 C SER A 19 31.251 27.442 44.916 1.00 44.43 C ATOM 48 O SER A 19 32.359 27.977 44.855 1.00 44.92 O ATOM 49 CB SER A 19 31.427 25.387 46.341 1.00 42.23 C ATOM 50 OG SER A 19 32.800 25.555 46.658 1.00 45.50 O ATOM 0 H SER A 19 32.832 25.651 43.998 1.00 37.61 H new ATOM 0 HA SER A 19 30.213 25.679 44.703 1.00 41.78 H new ATOM 0 HB2 SER A 19 30.881 25.852 46.994 1.00 42.23 H new ATOM 0 HB3 SER A 19 31.192 24.447 46.393 1.00 42.23 H new ATOM 0 HG SER A 19 32.948 25.259 47.430 1.00 45.50 H new ATOM 51 N ASN A 20 30.111 28.128 44.935 1.00 47.42 N ATOM 52 CA ASN A 20 30.073 29.589 44.947 1.00 50.19 C ATOM 53 C ASN A 20 29.363 30.029 46.220 1.00 51.37 C ATOM 54 O ASN A 20 28.265 29.560 46.529 1.00 51.62 O ATOM 55 CB ASN A 20 29.303 30.146 43.738 1.00 52.29 C ATOM 56 CG ASN A 20 30.134 30.168 42.459 1.00 54.15 C ATOM 57 OD1 ASN A 20 31.339 30.422 42.488 1.00 54.66 O ATOM 58 ND2 ASN A 20 29.480 29.926 41.326 1.00 54.91 N ATOM 0 H ASN A 20 29.335 27.758 44.941 1.00 47.42 H new ATOM 0 HA ASN A 20 30.982 29.926 44.907 1.00 50.19 H new ATOM 0 HB2 ASN A 20 28.508 29.609 43.592 1.00 52.29 H new ATOM 0 HB3 ASN A 20 29.004 31.047 43.939 1.00 52.29 H new ATOM 0 HD21 ASN A 20 29.899 29.943 40.575 1.00 54.91 H new ATOM 0 HD22 ASN A 20 28.638 29.752 41.344 1.00 54.91 H new ATOM 59 N GLY A 21 29.988 30.934 46.959 1.00 52.37 N ATOM 60 CA GLY A 21 29.378 31.407 48.185 1.00 53.08 C ATOM 61 C GLY A 21 29.074 30.274 49.145 1.00 53.50 C ATOM 62 O GLY A 21 29.913 29.398 49.363 1.00 53.20 O ATOM 0 H GLY A 21 30.752 31.280 46.771 1.00 52.37 H new ATOM 0 HA2 GLY A 21 29.970 32.043 48.615 1.00 53.08 H new ATOM 0 HA3 GLY A 21 28.558 31.880 47.975 1.00 53.08 H new ATOM 63 N PRO A 22 27.866 30.257 49.725 1.00 54.15 N ATOM 64 CA PRO A 22 27.434 29.228 50.676 1.00 54.42 C ATOM 65 C PRO A 22 27.313 27.825 50.086 1.00 54.32 C ATOM 66 O PRO A 22 27.095 26.861 50.816 1.00 54.47 O ATOM 67 CB PRO A 22 26.090 29.761 51.161 1.00 54.43 C ATOM 68 CG PRO A 22 25.550 30.434 49.943 1.00 55.22 C ATOM 69 CD PRO A 22 26.763 31.195 49.439 1.00 55.28 C ATOM 0 HA PRO A 22 28.088 29.098 51.380 1.00 54.42 H new ATOM 0 HB2 PRO A 22 25.508 29.048 51.467 1.00 54.43 H new ATOM 0 HB3 PRO A 22 26.193 30.381 51.900 1.00 54.43 H new ATOM 0 HG2 PRO A 22 25.225 29.795 49.289 1.00 55.22 H new ATOM 0 HG3 PRO A 22 24.811 31.026 50.153 1.00 55.22 H new ATOM 0 HD2 PRO A 22 26.696 31.397 48.493 1.00 55.28 H new ATOM 0 HD3 PRO A 22 26.878 32.040 49.901 1.00 55.28 H new ATOM 70 N GLY A 23 27.452 27.709 48.769 1.00 53.67 N ATOM 71 CA GLY A 23 27.330 26.406 48.142 1.00 52.27 C ATOM 72 C GLY A 23 25.935 25.823 48.320 1.00 51.56 C ATOM 73 O GLY A 23 25.782 24.662 48.707 1.00 50.73 O ATOM 0 H GLY A 23 27.614 28.361 48.232 1.00 53.67 H new ATOM 0 HA2 GLY A 23 27.531 26.482 47.196 1.00 52.27 H new ATOM 0 HA3 GLY A 23 27.985 25.801 48.523 1.00 52.27 H new ATOM 74 N GLN A 24 24.917 26.634 48.039 1.00 49.81 N ATOM 75 CA GLN A 24 23.527 26.207 48.160 1.00 48.69 C ATOM 76 C GLN A 24 22.893 25.956 46.791 1.00 45.91 C ATOM 77 O GLN A 24 21.784 25.425 46.700 1.00 46.15 O ATOM 78 CB GLN A 24 22.714 27.264 48.915 1.00 51.33 C ATOM 79 CG GLN A 24 23.134 27.449 50.371 1.00 55.25 C ATOM 80 CD GLN A 24 22.390 28.586 51.055 1.00 58.24 C ATOM 81 OE1 GLN A 24 21.156 28.631 51.044 1.00 60.04 O ATOM 82 NE2 GLN A 24 23.138 29.510 51.658 1.00 57.67 N ATOM 0 H GLN A 24 25.014 27.446 47.773 1.00 49.81 H new ATOM 0 HA GLN A 24 23.519 25.373 48.655 1.00 48.69 H new ATOM 0 HB2 GLN A 24 22.798 28.113 48.454 1.00 51.33 H new ATOM 0 HB3 GLN A 24 21.776 27.018 48.888 1.00 51.33 H new ATOM 0 HG2 GLN A 24 22.975 26.625 50.857 1.00 55.25 H new ATOM 0 HG3 GLN A 24 24.088 27.622 50.409 1.00 55.25 H new ATOM 0 HE21 GLN A 24 23.995 29.445 51.645 1.00 57.67 H new ATOM 0 HE22 GLN A 24 22.763 30.171 52.061 1.00 57.67 H new ATOM 83 N GLU A 25 23.599 26.342 45.731 1.00 41.54 N ATOM 84 CA GLU A 25 23.111 26.157 44.366 1.00 38.37 C ATOM 85 C GLU A 25 24.255 25.869 43.390 1.00 32.94 C ATOM 86 O GLU A 25 25.409 26.178 43.668 1.00 32.00 O ATOM 87 CB GLU A 25 22.325 27.392 43.917 1.00 40.41 C ATOM 88 CG GLU A 25 22.930 28.699 44.353 1.00 44.46 C ATOM 89 CD GLU A 25 22.097 29.882 43.914 1.00 48.10 C ATOM 90 OE1 GLU A 25 20.855 29.814 44.061 1.00 50.25 O ATOM 91 OE2 GLU A 25 22.680 30.875 43.427 1.00 48.34 O ATOM 0 H GLU A 25 24.371 26.717 45.782 1.00 41.54 H new ATOM 0 HA GLU A 25 22.523 25.386 44.363 1.00 38.37 H new ATOM 0 HB2 GLU A 25 22.257 27.385 42.949 1.00 40.41 H new ATOM 0 HB3 GLU A 25 21.422 27.333 44.266 1.00 40.41 H new ATOM 0 HG2 GLU A 25 23.019 28.707 45.319 1.00 44.46 H new ATOM 0 HG3 GLU A 25 23.824 28.779 43.985 1.00 44.46 H new ATOM 92 N PRO A 26 23.945 25.270 42.229 1.00 29.02 N ATOM 93 CA PRO A 26 25.001 24.962 41.263 1.00 26.38 C ATOM 94 C PRO A 26 25.691 26.199 40.737 1.00 25.08 C ATOM 95 O PRO A 26 25.113 27.278 40.744 1.00 25.83 O ATOM 96 CB PRO A 26 24.259 24.195 40.167 1.00 25.85 C ATOM 97 CG PRO A 26 22.903 24.783 40.204 1.00 26.38 C ATOM 98 CD PRO A 26 22.619 24.920 41.688 1.00 27.29 C ATOM 0 HA PRO A 26 25.727 24.451 41.655 1.00 26.38 H new ATOM 0 HB2 PRO A 26 24.678 24.314 39.300 1.00 25.85 H new ATOM 0 HB3 PRO A 26 24.241 23.242 40.346 1.00 25.85 H new ATOM 0 HG2 PRO A 26 22.873 25.642 39.754 1.00 26.38 H new ATOM 0 HG3 PRO A 26 22.253 24.211 39.767 1.00 26.38 H new ATOM 0 HD2 PRO A 26 21.961 25.609 41.869 1.00 27.29 H new ATOM 0 HD3 PRO A 26 22.278 24.096 42.069 1.00 27.29 H new ATOM 99 N ILE A 27 26.924 26.035 40.278 1.00 22.52 N ATOM 100 CA ILE A 27 27.691 27.152 39.732 1.00 23.51 C ATOM 101 C ILE A 27 27.338 27.370 38.259 1.00 23.08 C ATOM 102 O ILE A 27 27.665 28.405 37.679 1.00 21.72 O ATOM 103 CB ILE A 27 29.199 26.883 39.820 1.00 22.99 C ATOM 104 CG1 ILE A 27 29.531 25.594 39.045 1.00 24.38 C ATOM 105 CG2 ILE A 27 29.618 26.789 41.280 1.00 24.81 C ATOM 106 CD1 ILE A 27 31.007 25.317 38.857 1.00 24.49 C ATOM 0 H ILE A 27 27.339 25.282 40.273 1.00 22.52 H new ATOM 0 HA ILE A 27 27.467 27.937 40.255 1.00 23.51 H new ATOM 0 HB ILE A 27 29.695 27.613 39.418 1.00 22.99 H new ATOM 0 HG12 ILE A 27 29.132 24.842 39.510 1.00 24.38 H new ATOM 0 HG13 ILE A 27 29.112 25.642 38.172 1.00 24.38 H new ATOM 0 HG21 ILE A 27 30.572 26.619 41.333 1.00 24.81 H new ATOM 0 HG22 ILE A 27 29.413 27.624 41.730 1.00 24.81 H new ATOM 0 HG23 ILE A 27 29.137 26.064 41.709 1.00 24.81 H new ATOM 0 HD11 ILE A 27 31.121 24.491 38.362 1.00 24.49 H new ATOM 0 HD12 ILE A 27 31.413 26.047 38.365 1.00 24.49 H new ATOM 0 HD13 ILE A 27 31.434 25.235 39.724 1.00 24.49 H new ATOM 107 N ALA A 28 26.675 26.384 37.661 1.00 21.21 N ATOM 108 CA ALA A 28 26.286 26.472 36.265 1.00 20.20 C ATOM 109 C ALA A 28 25.216 25.447 35.902 1.00 20.72 C ATOM 110 O ALA A 28 25.137 24.369 36.510 1.00 17.82 O ATOM 111 CB ALA A 28 27.503 26.272 35.387 1.00 22.93 C ATOM 0 H ALA A 28 26.442 25.654 38.051 1.00 21.21 H new ATOM 0 HA ALA A 28 25.908 27.353 36.119 1.00 20.20 H new ATOM 0 HB1 ALA A 28 27.243 26.331 34.454 1.00 22.93 H new ATOM 0 HB2 ALA A 28 28.160 26.958 35.583 1.00 22.93 H new ATOM 0 HB3 ALA A 28 27.887 25.398 35.560 1.00 22.93 H new ATOM 112 N VAL A 29 24.384 25.796 34.923 1.00 18.76 N ATOM 113 CA VAL A 29 23.341 24.901 34.442 1.00 20.57 C ATOM 114 C VAL A 29 23.352 24.974 32.931 1.00 22.29 C ATOM 115 O VAL A 29 23.372 26.067 32.354 1.00 22.29 O ATOM 116 CB VAL A 29 21.924 25.287 34.942 1.00 23.23 C ATOM 117 CG1 VAL A 29 20.895 24.268 34.421 1.00 21.08 C ATOM 118 CG2 VAL A 29 21.885 25.309 36.467 1.00 24.17 C ATOM 0 H VAL A 29 24.410 26.556 34.522 1.00 18.76 H new ATOM 0 HA VAL A 29 23.526 24.011 34.780 1.00 20.57 H new ATOM 0 HB VAL A 29 21.708 26.172 34.608 1.00 23.23 H new ATOM 0 HG11 VAL A 29 20.010 24.512 34.735 1.00 21.08 H new ATOM 0 HG12 VAL A 29 20.904 24.266 33.451 1.00 21.08 H new ATOM 0 HG13 VAL A 29 21.121 23.383 34.748 1.00 21.08 H new ATOM 0 HG21 VAL A 29 20.994 25.552 36.765 1.00 24.17 H new ATOM 0 HG22 VAL A 29 22.112 24.430 36.809 1.00 24.17 H new ATOM 0 HG23 VAL A 29 22.524 25.959 36.798 1.00 24.17 H new ATOM 119 N MET A 30 23.391 23.808 32.294 1.00 21.89 N ATOM 120 CA MET A 30 23.381 23.718 30.836 1.00 20.46 C ATOM 121 C MET A 30 22.143 22.919 30.453 1.00 21.35 C ATOM 122 O MET A 30 21.760 21.983 31.166 1.00 20.12 O ATOM 123 CB MET A 30 24.627 22.998 30.329 1.00 19.67 C ATOM 124 CG MET A 30 25.942 23.702 30.641 1.00 22.66 C ATOM 125 SD MET A 30 27.323 22.565 30.445 1.00 31.19 S ATOM 126 CE MET A 30 27.197 21.675 32.042 1.00 25.64 C ATOM 0 H MET A 30 23.424 23.047 32.693 1.00 21.89 H new ATOM 0 HA MET A 30 23.371 24.605 30.443 1.00 20.46 H new ATOM 0 HB2 MET A 30 24.651 22.109 30.715 1.00 19.67 H new ATOM 0 HB3 MET A 30 24.553 22.888 29.368 1.00 19.67 H new ATOM 0 HG2 MET A 30 26.056 24.464 30.051 1.00 22.66 H new ATOM 0 HG3 MET A 30 25.925 24.046 31.548 1.00 22.66 H new ATOM 0 HE1 MET A 30 28.025 21.778 32.536 1.00 25.64 H new ATOM 0 HE2 MET A 30 26.464 22.042 32.560 1.00 25.64 H new ATOM 0 HE3 MET A 30 27.035 20.733 31.876 1.00 25.64 H new ATOM 127 N THR A 31 21.501 23.303 29.353 1.00 20.59 N ATOM 128 CA THR A 31 20.318 22.600 28.884 1.00 22.57 C ATOM 129 C THR A 31 20.611 22.035 27.499 1.00 22.82 C ATOM 130 O THR A 31 21.232 22.705 26.671 1.00 24.79 O ATOM 131 CB THR A 31 19.099 23.542 28.825 1.00 23.77 C ATOM 132 OG1 THR A 31 19.359 24.606 27.901 1.00 29.85 O ATOM 133 CG2 THR A 31 18.827 24.141 30.202 1.00 25.67 C ATOM 0 H THR A 31 21.737 23.970 28.865 1.00 20.59 H new ATOM 0 HA THR A 31 20.105 21.883 29.502 1.00 22.57 H new ATOM 0 HB THR A 31 18.326 23.032 28.537 1.00 23.77 H new ATOM 0 HG1 THR A 31 18.655 25.046 27.775 1.00 29.85 H new ATOM 0 HG21 THR A 31 18.059 24.731 30.152 1.00 25.67 H new ATOM 0 HG22 THR A 31 18.647 23.429 30.835 1.00 25.67 H new ATOM 0 HG23 THR A 31 19.603 24.645 30.495 1.00 25.67 H new ATOM 134 N PHE A 32 20.174 20.802 27.250 1.00 22.16 N ATOM 135 CA PHE A 32 20.415 20.157 25.966 1.00 20.67 C ATOM 136 C PHE A 32 19.141 19.655 25.312 1.00 23.70 C ATOM 137 O PHE A 32 18.134 19.390 25.985 1.00 23.32 O ATOM 138 CB PHE A 32 21.370 18.963 26.110 1.00 20.86 C ATOM 139 CG PHE A 32 22.704 19.299 26.724 1.00 18.11 C ATOM 140 CD1 PHE A 32 22.831 19.463 28.100 1.00 17.68 C ATOM 141 CD2 PHE A 32 23.841 19.425 25.922 1.00 18.06 C ATOM 142 CE1 PHE A 32 24.070 19.748 28.674 1.00 18.03 C ATOM 143 CE2 PHE A 32 25.084 19.708 26.478 1.00 19.60 C ATOM 144 CZ PHE A 32 25.204 19.873 27.863 1.00 20.86 C ATOM 0 H PHE A 32 19.735 20.323 27.814 1.00 22.16 H new ATOM 0 HA PHE A 32 20.810 20.843 25.405 1.00 20.67 H new ATOM 0 HB2 PHE A 32 20.940 18.283 26.652 1.00 20.86 H new ATOM 0 HB3 PHE A 32 21.519 18.575 25.233 1.00 20.86 H new ATOM 0 HD1 PHE A 32 22.081 19.382 28.644 1.00 17.68 H new ATOM 0 HD2 PHE A 32 23.765 19.318 25.001 1.00 18.06 H new ATOM 0 HE1 PHE A 32 24.143 19.855 29.595 1.00 18.03 H new ATOM 0 HE2 PHE A 32 25.833 19.787 25.932 1.00 19.60 H new ATOM 0 HZ PHE A 32 26.032 20.064 28.242 1.00 20.86 H new ATOM 145 N ASP A 33 19.193 19.555 23.984 1.00 23.70 N ATOM 146 CA ASP A 33 18.084 19.044 23.183 1.00 25.21 C ATOM 147 C ASP A 33 18.445 17.571 22.942 1.00 25.75 C ATOM 148 O ASP A 33 19.350 17.270 22.169 1.00 23.43 O ATOM 149 CB ASP A 33 18.003 19.782 21.838 1.00 25.08 C ATOM 150 CG ASP A 33 16.936 19.200 20.906 1.00 28.81 C ATOM 151 OD1 ASP A 33 16.618 17.992 21.011 1.00 28.02 O ATOM 152 OD2 ASP A 33 16.421 19.946 20.051 1.00 28.96 O ATOM 0 H ASP A 33 19.880 19.784 23.520 1.00 23.70 H new ATOM 0 HA ASP A 33 17.228 19.161 23.623 1.00 25.21 H new ATOM 0 HB2 ASP A 33 17.810 20.719 21.999 1.00 25.08 H new ATOM 0 HB3 ASP A 33 18.867 19.742 21.399 1.00 25.08 H new ATOM 153 N LEU A 34 17.743 16.665 23.611 1.00 28.67 N ATOM 154 CA LEU A 34 18.006 15.230 23.480 1.00 31.78 C ATOM 155 C LEU A 34 17.922 14.678 22.050 1.00 34.78 C ATOM 156 O LEU A 34 18.599 13.705 21.715 1.00 34.83 O ATOM 157 CB LEU A 34 17.053 14.458 24.393 1.00 31.17 C ATOM 158 CG LEU A 34 17.599 13.874 25.705 1.00 31.33 C ATOM 159 CD1 LEU A 34 18.768 14.674 26.220 1.00 29.13 C ATOM 160 CD2 LEU A 34 16.475 13.812 26.722 1.00 29.00 C ATOM 0 H LEU A 34 17.103 16.859 24.152 1.00 28.67 H new ATOM 0 HA LEU A 34 18.931 15.106 23.744 1.00 31.78 H new ATOM 0 HB2 LEU A 34 16.318 15.049 24.618 1.00 31.17 H new ATOM 0 HB3 LEU A 34 16.681 13.726 23.878 1.00 31.17 H new ATOM 0 HG LEU A 34 17.930 12.977 25.542 1.00 31.33 H new ATOM 0 HD11 LEU A 34 19.090 14.282 27.047 1.00 29.13 H new ATOM 0 HD12 LEU A 34 19.480 14.668 25.561 1.00 29.13 H new ATOM 0 HD13 LEU A 34 18.488 15.588 26.384 1.00 29.13 H new ATOM 0 HD21 LEU A 34 16.811 13.444 27.554 1.00 29.00 H new ATOM 0 HD22 LEU A 34 16.131 14.705 26.879 1.00 29.00 H new ATOM 0 HD23 LEU A 34 15.763 13.247 26.384 1.00 29.00 H new ATOM 161 N THR A 35 17.113 15.296 21.196 1.00 36.48 N ATOM 162 CA THR A 35 16.991 14.792 19.828 1.00 38.39 C ATOM 163 C THR A 35 18.234 15.051 18.984 1.00 39.21 C ATOM 164 O THR A 35 18.434 14.411 17.950 1.00 38.45 O ATOM 165 CB THR A 35 15.785 15.407 19.099 1.00 37.84 C ATOM 166 OG1 THR A 35 16.044 16.789 18.825 1.00 39.46 O ATOM 167 CG2 THR A 35 14.539 15.282 19.946 1.00 36.32 C ATOM 0 H THR A 35 16.638 15.989 21.379 1.00 36.48 H new ATOM 0 HA THR A 35 16.871 13.834 19.925 1.00 38.39 H new ATOM 0 HB THR A 35 15.646 14.931 18.266 1.00 37.84 H new ATOM 0 HG1 THR A 35 16.099 17.213 19.548 1.00 39.46 H new ATOM 0 HG21 THR A 35 13.787 15.673 19.475 1.00 36.32 H new ATOM 0 HG22 THR A 35 14.359 14.345 20.120 1.00 36.32 H new ATOM 0 HG23 THR A 35 14.671 15.747 20.787 1.00 36.32 H new ATOM 168 N LYS A 36 19.070 15.986 19.426 1.00 39.87 N ATOM 169 CA LYS A 36 20.285 16.321 18.687 1.00 40.93 C ATOM 170 C LYS A 36 21.517 15.618 19.237 1.00 40.96 C ATOM 171 O LYS A 36 22.616 15.758 18.703 1.00 40.83 O ATOM 172 CB LYS A 36 20.523 17.833 18.714 1.00 41.36 C ATOM 173 CG LYS A 36 19.527 18.648 17.916 1.00 42.90 C ATOM 174 CD LYS A 36 19.934 20.118 17.936 1.00 45.29 C ATOM 175 CE LYS A 36 19.020 20.987 17.082 1.00 47.34 C ATOM 176 NZ LYS A 36 19.428 22.423 17.173 1.00 47.43 N ATOM 0 H LYS A 36 18.953 16.437 20.149 1.00 39.87 H new ATOM 0 HA LYS A 36 20.147 16.016 17.776 1.00 40.93 H new ATOM 0 HB2 LYS A 36 20.503 18.134 19.636 1.00 41.36 H new ATOM 0 HB3 LYS A 36 21.414 18.013 18.376 1.00 41.36 H new ATOM 0 HG2 LYS A 36 19.490 18.326 17.002 1.00 42.90 H new ATOM 0 HG3 LYS A 36 18.638 18.544 18.289 1.00 42.90 H new ATOM 0 HD2 LYS A 36 19.922 20.442 18.850 1.00 45.29 H new ATOM 0 HD3 LYS A 36 20.846 20.202 17.617 1.00 45.29 H new ATOM 0 HE2 LYS A 36 19.055 20.693 16.158 1.00 47.34 H new ATOM 0 HE3 LYS A 36 18.101 20.887 17.377 1.00 47.34 H new ATOM 0 HZ1 LYS A 36 18.886 22.918 16.670 1.00 47.43 H new ATOM 0 HZ2 LYS A 36 19.376 22.694 18.019 1.00 47.43 H new ATOM 0 HZ3 LYS A 36 20.265 22.513 16.884 1.00 47.43 H new ATOM 177 N ILE A 37 21.334 14.862 20.308 1.00 41.92 N ATOM 178 CA ILE A 37 22.442 14.161 20.926 1.00 44.16 C ATOM 179 C ILE A 37 22.950 12.979 20.103 1.00 45.11 C ATOM 180 O ILE A 37 22.166 12.177 19.598 1.00 45.50 O ATOM 181 CB ILE A 37 22.050 13.685 22.338 1.00 44.72 C ATOM 182 CG1 ILE A 37 21.879 14.906 23.246 1.00 45.84 C ATOM 183 CG2 ILE A 37 23.101 12.744 22.891 1.00 45.74 C ATOM 184 CD1 ILE A 37 21.595 14.572 24.686 1.00 47.26 C ATOM 0 H ILE A 37 20.574 14.742 20.692 1.00 41.92 H new ATOM 0 HA ILE A 37 23.172 14.798 20.978 1.00 44.16 H new ATOM 0 HB ILE A 37 21.212 13.199 22.296 1.00 44.72 H new ATOM 0 HG12 ILE A 37 22.685 15.444 23.203 1.00 45.84 H new ATOM 0 HG13 ILE A 37 21.155 15.452 22.903 1.00 45.84 H new ATOM 0 HG21 ILE A 37 22.840 12.453 23.779 1.00 45.74 H new ATOM 0 HG22 ILE A 37 23.182 11.972 22.310 1.00 45.74 H new ATOM 0 HG23 ILE A 37 23.954 13.203 22.939 1.00 45.74 H new ATOM 0 HD11 ILE A 37 21.500 15.392 25.196 1.00 47.26 H new ATOM 0 HD12 ILE A 37 20.774 14.059 24.743 1.00 47.26 H new ATOM 0 HD13 ILE A 37 22.328 14.050 25.048 1.00 47.26 H new ATOM 185 N THR A 38 24.270 12.902 19.954 1.00 45.08 N ATOM 186 CA THR A 38 24.910 11.813 19.220 1.00 45.21 C ATOM 187 C THR A 38 26.055 11.298 20.089 1.00 44.91 C ATOM 188 O THR A 38 26.777 10.376 19.712 1.00 46.10 O ATOM 189 CB THR A 38 25.508 12.294 17.891 1.00 46.01 C ATOM 190 OG1 THR A 38 26.586 13.199 18.158 1.00 47.82 O ATOM 191 CG2 THR A 38 24.453 12.997 17.047 1.00 46.51 C ATOM 0 H THR A 38 24.820 13.480 20.276 1.00 45.08 H new ATOM 0 HA THR A 38 24.248 11.132 19.026 1.00 45.21 H new ATOM 0 HB THR A 38 25.834 11.524 17.399 1.00 46.01 H new ATOM 0 HG1 THR A 38 26.294 13.867 18.576 1.00 47.82 H new ATOM 0 HG21 THR A 38 24.850 13.293 16.213 1.00 46.51 H new ATOM 0 HG22 THR A 38 23.727 12.382 16.859 1.00 46.51 H new ATOM 0 HG23 THR A 38 24.109 13.764 17.531 1.00 46.51 H new ATOM 192 N LYS A 39 26.203 11.918 21.255 1.00 43.25 N ATOM 193 CA LYS A 39 27.243 11.593 22.223 1.00 42.04 C ATOM 194 C LYS A 39 26.625 11.764 23.607 1.00 40.66 C ATOM 195 O LYS A 39 26.046 12.806 23.892 1.00 41.19 O ATOM 196 CB LYS A 39 28.411 12.570 22.055 1.00 43.26 C ATOM 197 CG LYS A 39 29.411 12.600 23.195 1.00 44.46 C ATOM 198 CD LYS A 39 30.520 13.601 22.910 1.00 44.91 C ATOM 199 CE LYS A 39 31.529 13.695 24.055 1.00 45.89 C ATOM 200 NZ LYS A 39 30.989 14.341 25.293 1.00 45.53 N ATOM 0 H LYS A 39 25.687 12.556 21.511 1.00 43.25 H new ATOM 0 HA LYS A 39 27.574 10.690 22.099 1.00 42.04 H new ATOM 0 HB2 LYS A 39 28.883 12.347 21.238 1.00 43.26 H new ATOM 0 HB3 LYS A 39 28.050 13.463 21.939 1.00 43.26 H new ATOM 0 HG2 LYS A 39 28.960 12.836 24.021 1.00 44.46 H new ATOM 0 HG3 LYS A 39 29.791 11.717 23.322 1.00 44.46 H new ATOM 0 HD2 LYS A 39 30.981 13.346 22.096 1.00 44.91 H new ATOM 0 HD3 LYS A 39 30.131 14.475 22.753 1.00 44.91 H new ATOM 0 HE2 LYS A 39 31.837 12.802 24.276 1.00 45.89 H new ATOM 0 HE3 LYS A 39 32.303 14.195 23.752 1.00 45.89 H new ATOM 0 HZ1 LYS A 39 31.652 14.741 25.733 1.00 45.53 H new ATOM 0 HZ2 LYS A 39 30.375 14.945 25.069 1.00 45.53 H new ATOM 0 HZ3 LYS A 39 30.619 13.722 25.814 1.00 45.53 H new ATOM 201 N THR A 40 26.741 10.758 24.469 1.00 38.44 N ATOM 202 CA THR A 40 26.161 10.877 25.805 1.00 36.50 C ATOM 203 C THR A 40 27.201 11.053 26.898 1.00 35.12 C ATOM 204 O THR A 40 26.880 11.482 28.004 1.00 37.35 O ATOM 205 CB THR A 40 25.352 9.637 26.198 1.00 36.81 C ATOM 206 OG1 THR A 40 26.258 8.559 26.468 1.00 36.70 O ATOM 207 CG2 THR A 40 24.379 9.247 25.091 1.00 36.32 C ATOM 0 H THR A 40 27.141 10.014 24.307 1.00 38.44 H new ATOM 0 HA THR A 40 25.598 11.665 25.742 1.00 36.50 H new ATOM 0 HB THR A 40 24.831 9.835 26.992 1.00 36.81 H new ATOM 0 HG1 THR A 40 26.193 7.980 25.863 1.00 36.70 H new ATOM 0 HG21 THR A 40 23.879 8.461 25.362 1.00 36.32 H new ATOM 0 HG22 THR A 40 23.765 9.980 24.927 1.00 36.32 H new ATOM 0 HG23 THR A 40 24.873 9.052 24.280 1.00 36.32 H new ATOM 208 N SER A 41 28.446 10.727 26.605 1.00 32.16 N ATOM 209 CA SER A 41 29.468 10.827 27.626 1.00 29.27 C ATOM 210 C SER A 41 29.757 12.237 28.137 1.00 26.72 C ATOM 211 O SER A 41 29.559 13.240 27.442 1.00 25.89 O ATOM 212 CB SER A 41 30.773 10.197 27.129 1.00 31.72 C ATOM 213 OG SER A 41 31.454 11.057 26.229 1.00 34.57 O ATOM 0 H SER A 41 28.717 10.451 25.837 1.00 32.16 H new ATOM 0 HA SER A 41 29.102 10.344 28.384 1.00 29.27 H new ATOM 0 HB2 SER A 41 31.347 9.998 27.886 1.00 31.72 H new ATOM 0 HB3 SER A 41 30.580 9.354 26.690 1.00 31.72 H new ATOM 0 HG SER A 41 32.165 10.689 25.973 1.00 34.57 H new ATOM 214 N SER A 42 30.213 12.287 29.381 1.00 22.02 N ATOM 215 CA SER A 42 30.613 13.519 30.032 1.00 20.81 C ATOM 216 C SER A 42 31.898 13.142 30.752 1.00 22.35 C ATOM 217 O SER A 42 32.014 12.044 31.308 1.00 20.69 O ATOM 218 CB SER A 42 29.574 14.000 31.043 1.00 18.95 C ATOM 219 OG SER A 42 28.358 14.352 30.414 1.00 16.25 O ATOM 0 H SER A 42 30.299 11.591 29.878 1.00 22.02 H new ATOM 0 HA SER A 42 30.716 14.244 29.396 1.00 20.81 H new ATOM 0 HB2 SER A 42 29.411 13.302 31.697 1.00 18.95 H new ATOM 0 HB3 SER A 42 29.922 14.765 31.526 1.00 18.95 H new ATOM 0 HG SER A 42 27.849 13.684 30.393 1.00 16.25 H new ATOM 220 N SER A 43 32.872 14.038 30.728 1.00 21.58 N ATOM 221 CA SER A 43 34.133 13.758 31.375 1.00 23.01 C ATOM 222 C SER A 43 34.744 15.037 31.887 1.00 23.20 C ATOM 223 O SER A 43 34.449 16.132 31.388 1.00 24.39 O ATOM 224 CB SER A 43 35.073 13.062 30.399 1.00 23.13 C ATOM 225 OG SER A 43 35.223 13.837 29.228 1.00 28.92 O ATOM 0 H SER A 43 32.821 14.806 30.345 1.00 21.58 H new ATOM 0 HA SER A 43 33.982 13.168 32.130 1.00 23.01 H new ATOM 0 HB2 SER A 43 35.938 12.923 30.816 1.00 23.13 H new ATOM 0 HB3 SER A 43 34.724 12.186 30.172 1.00 23.13 H new ATOM 0 HG SER A 43 35.744 13.446 28.698 1.00 28.92 H new ATOM 226 N PHE A 44 35.606 14.899 32.882 1.00 21.36 N ATOM 227 CA PHE A 44 36.237 16.050 33.483 1.00 20.25 C ATOM 228 C PHE A 44 37.270 15.555 34.475 1.00 21.10 C ATOM 229 O PHE A 44 37.416 14.351 34.689 1.00 21.12 O ATOM 230 CB PHE A 44 35.171 16.855 34.222 1.00 21.93 C ATOM 231 CG PHE A 44 34.377 16.030 35.224 1.00 22.18 C ATOM 232 CD1 PHE A 44 34.844 15.843 36.531 1.00 23.27 C ATOM 233 CD2 PHE A 44 33.180 15.415 34.846 1.00 21.61 C ATOM 234 CE1 PHE A 44 34.123 15.050 37.449 1.00 22.33 C ATOM 235 CE2 PHE A 44 32.453 14.619 35.758 1.00 22.40 C ATOM 236 CZ PHE A 44 32.923 14.438 37.051 1.00 19.44 C ATOM 0 H PHE A 44 35.837 14.144 33.222 1.00 21.36 H new ATOM 0 HA PHE A 44 36.660 16.606 32.810 1.00 20.25 H new ATOM 0 HB2 PHE A 44 35.596 17.593 34.686 1.00 21.93 H new ATOM 0 HB3 PHE A 44 34.560 17.241 33.575 1.00 21.93 H new ATOM 0 HD1 PHE A 44 35.639 16.246 36.797 1.00 23.27 H new ATOM 0 HD2 PHE A 44 32.858 15.532 33.981 1.00 21.61 H new ATOM 0 HE1 PHE A 44 34.441 14.933 38.315 1.00 22.33 H new ATOM 0 HE2 PHE A 44 31.658 14.216 35.492 1.00 22.40 H new ATOM 0 HZ PHE A 44 32.445 13.913 37.652 1.00 19.44 H new ATOM 237 N GLU A 45 37.985 16.492 35.076 1.00 21.97 N ATOM 238 CA GLU A 45 38.974 16.167 36.093 1.00 22.91 C ATOM 239 C GLU A 45 38.519 16.976 37.281 1.00 21.22 C ATOM 240 O GLU A 45 38.002 18.082 37.123 1.00 22.09 O ATOM 241 CB GLU A 45 40.377 16.606 35.678 1.00 24.19 C ATOM 242 CG GLU A 45 40.886 15.934 34.432 1.00 27.27 C ATOM 243 CD GLU A 45 42.340 16.280 34.161 1.00 31.57 C ATOM 244 OE1 GLU A 45 42.791 17.360 34.612 1.00 34.32 O ATOM 245 OE2 GLU A 45 43.027 15.483 33.490 1.00 31.22 O ATOM 0 H GLU A 45 37.912 17.332 34.908 1.00 21.97 H new ATOM 0 HA GLU A 45 39.031 15.213 36.259 1.00 22.91 H new ATOM 0 HB2 GLU A 45 40.378 17.566 35.540 1.00 24.19 H new ATOM 0 HB3 GLU A 45 40.991 16.424 36.406 1.00 24.19 H new ATOM 0 HG2 GLU A 45 40.793 14.973 34.522 1.00 27.27 H new ATOM 0 HG3 GLU A 45 40.343 16.202 33.674 1.00 27.27 H new ATOM 246 N VAL A 46 38.684 16.419 38.468 1.00 20.44 N ATOM 247 CA VAL A 46 38.267 17.107 39.677 1.00 20.10 C ATOM 248 C VAL A 46 39.355 16.957 40.744 1.00 21.50 C ATOM 249 O VAL A 46 40.040 15.942 40.800 1.00 22.08 O ATOM 250 CB VAL A 46 36.909 16.513 40.206 1.00 19.85 C ATOM 251 CG1 VAL A 46 37.069 15.019 40.570 1.00 14.90 C ATOM 252 CG2 VAL A 46 36.437 17.283 41.418 1.00 19.05 C ATOM 0 H VAL A 46 39.035 15.644 38.596 1.00 20.44 H new ATOM 0 HA VAL A 46 38.133 18.047 39.479 1.00 20.10 H new ATOM 0 HB VAL A 46 36.250 16.593 39.499 1.00 19.85 H new ATOM 0 HG11 VAL A 46 36.223 14.672 40.893 1.00 14.90 H new ATOM 0 HG12 VAL A 46 37.343 14.522 39.783 1.00 14.90 H new ATOM 0 HG13 VAL A 46 37.742 14.925 41.262 1.00 14.90 H new ATOM 0 HG21 VAL A 46 35.600 16.908 41.734 1.00 19.05 H new ATOM 0 HG22 VAL A 46 37.104 17.223 42.120 1.00 19.05 H new ATOM 0 HG23 VAL A 46 36.304 18.214 41.179 1.00 19.05 H new ATOM 253 N ARG A 47 39.519 17.982 41.573 1.00 22.41 N ATOM 254 CA ARG A 47 40.497 17.953 42.656 1.00 25.04 C ATOM 255 C ARG A 47 39.800 18.510 43.891 1.00 23.59 C ATOM 256 O ARG A 47 39.085 19.511 43.798 1.00 25.00 O ATOM 257 CB ARG A 47 41.723 18.809 42.316 1.00 26.61 C ATOM 258 CG ARG A 47 42.882 18.581 43.264 1.00 33.37 C ATOM 259 CD ARG A 47 44.166 19.257 42.786 1.00 37.60 C ATOM 260 NE ARG A 47 43.996 20.698 42.623 1.00 44.10 N ATOM 261 CZ ARG A 47 44.967 21.531 42.254 1.00 46.67 C ATOM 262 NH1 ARG A 47 46.190 21.067 42.012 1.00 47.66 N ATOM 263 NH2 ARG A 47 44.710 22.826 42.112 1.00 46.08 N ATOM 0 H ARG A 47 39.068 18.713 41.524 1.00 22.41 H new ATOM 0 HA ARG A 47 40.812 17.047 42.803 1.00 25.04 H new ATOM 0 HB2 ARG A 47 42.008 18.612 41.410 1.00 26.61 H new ATOM 0 HB3 ARG A 47 41.473 19.746 42.337 1.00 26.61 H new ATOM 0 HG2 ARG A 47 42.649 18.919 44.143 1.00 33.37 H new ATOM 0 HG3 ARG A 47 43.037 17.628 43.358 1.00 33.37 H new ATOM 0 HD2 ARG A 47 44.877 19.086 43.423 1.00 37.60 H new ATOM 0 HD3 ARG A 47 44.441 18.867 41.942 1.00 37.60 H new ATOM 0 HE ARG A 47 43.218 21.031 42.775 1.00 44.10 H new ATOM 0 HH11 ARG A 47 46.355 20.227 42.094 1.00 47.66 H new ATOM 0 HH12 ARG A 47 46.815 21.607 41.774 1.00 47.66 H new ATOM 0 HH21 ARG A 47 43.917 23.126 42.258 1.00 46.08 H new ATOM 0 HH22 ARG A 47 45.336 23.365 41.874 1.00 46.08 H new ATOM 264 N THR A 48 39.999 17.872 45.042 1.00 22.35 N ATOM 265 CA THR A 48 39.336 18.322 46.263 1.00 21.58 C ATOM 266 C THR A 48 39.812 17.577 47.512 1.00 22.63 C ATOM 267 O THR A 48 40.396 16.495 47.416 1.00 23.02 O ATOM 268 CB THR A 48 37.823 18.087 46.138 1.00 21.21 C ATOM 269 OG1 THR A 48 37.148 18.527 47.318 1.00 22.14 O ATOM 270 CG2 THR A 48 37.552 16.606 45.936 1.00 22.85 C ATOM 0 H THR A 48 40.507 17.185 45.137 1.00 22.35 H new ATOM 0 HA THR A 48 39.554 19.262 46.363 1.00 21.58 H new ATOM 0 HB THR A 48 37.495 18.592 45.378 1.00 21.21 H new ATOM 0 HG1 THR A 48 37.077 19.364 47.305 1.00 22.14 H new ATOM 0 HG21 THR A 48 36.596 16.459 45.857 1.00 22.85 H new ATOM 0 HG22 THR A 48 37.993 16.304 45.127 1.00 22.85 H new ATOM 0 HG23 THR A 48 37.894 16.108 46.695 1.00 22.85 H new ATOM 271 N TRP A 49 39.538 18.163 48.676 1.00 21.22 N ATOM 272 CA TRP A 49 39.861 17.554 49.962 1.00 23.69 C ATOM 273 C TRP A 49 38.519 17.317 50.662 1.00 22.76 C ATOM 274 O TRP A 49 38.474 16.757 51.744 1.00 22.80 O ATOM 275 CB TRP A 49 40.715 18.487 50.841 1.00 25.38 C ATOM 276 CG TRP A 49 42.101 18.756 50.328 1.00 30.58 C ATOM 277 CD1 TRP A 49 42.552 19.908 49.743 1.00 30.78 C ATOM 278 CD2 TRP A 49 43.217 17.854 50.349 1.00 31.85 C ATOM 279 NE1 TRP A 49 43.876 19.776 49.399 1.00 32.86 N ATOM 280 CE2 TRP A 49 44.308 18.526 49.757 1.00 34.06 C ATOM 281 CE3 TRP A 49 43.400 16.542 50.809 1.00 34.83 C ATOM 282 CZ2 TRP A 49 45.566 17.931 49.610 1.00 35.48 C ATOM 283 CZ3 TRP A 49 44.655 15.949 50.663 1.00 36.06 C ATOM 284 CH2 TRP A 49 45.719 16.646 50.067 1.00 36.50 C ATOM 0 H TRP A 49 39.156 18.931 48.741 1.00 21.22 H new ATOM 0 HA TRP A 49 40.370 16.740 49.825 1.00 23.69 H new ATOM 0 HB2 TRP A 49 40.251 19.333 50.936 1.00 25.38 H new ATOM 0 HB3 TRP A 49 40.783 18.100 51.728 1.00 25.38 H new ATOM 0 HD1 TRP A 49 42.038 20.669 49.599 1.00 30.78 H new ATOM 0 HE1 TRP A 49 44.356 20.381 49.020 1.00 32.86 H new ATOM 0 HE3 TRP A 49 42.699 16.076 51.204 1.00 34.83 H new ATOM 0 HZ2 TRP A 49 46.273 18.390 49.217 1.00 35.48 H new ATOM 0 HZ3 TRP A 49 44.789 15.080 50.965 1.00 36.06 H new ATOM 0 HH2 TRP A 49 46.545 16.228 49.980 1.00 36.50 H new ATOM 285 N ASP A 50 37.434 17.752 50.019 1.00 22.31 N ATOM 286 CA ASP A 50 36.065 17.645 50.545 1.00 21.80 C ATOM 287 C ASP A 50 35.511 16.222 50.375 1.00 21.25 C ATOM 288 O ASP A 50 35.419 15.705 49.254 1.00 19.97 O ATOM 289 CB ASP A 50 35.167 18.632 49.790 1.00 21.86 C ATOM 290 CG ASP A 50 33.860 18.932 50.507 1.00 25.14 C ATOM 291 OD1 ASP A 50 33.439 18.173 51.414 1.00 22.06 O ATOM 292 OD2 ASP A 50 33.235 19.952 50.137 1.00 26.64 O ATOM 0 H ASP A 50 37.472 18.127 49.246 1.00 22.31 H new ATOM 0 HA ASP A 50 36.080 17.852 51.493 1.00 21.80 H new ATOM 0 HB2 ASP A 50 35.652 19.461 49.655 1.00 21.86 H new ATOM 0 HB3 ASP A 50 34.970 18.272 48.911 1.00 21.86 H new ATOM 293 N PRO A 51 35.131 15.572 51.489 1.00 20.60 N ATOM 294 CA PRO A 51 34.593 14.207 51.422 1.00 19.86 C ATOM 295 C PRO A 51 33.125 14.073 50.994 1.00 20.12 C ATOM 296 O PRO A 51 32.676 12.969 50.663 1.00 21.26 O ATOM 297 CB PRO A 51 34.794 13.694 52.845 1.00 18.68 C ATOM 298 CG PRO A 51 34.538 14.945 53.674 1.00 20.51 C ATOM 299 CD PRO A 51 35.314 16.004 52.893 1.00 19.65 C ATOM 0 HA PRO A 51 35.048 13.705 50.728 1.00 19.86 H new ATOM 0 HB2 PRO A 51 34.175 12.981 53.064 1.00 18.68 H new ATOM 0 HB3 PRO A 51 35.689 13.345 52.982 1.00 18.68 H new ATOM 0 HG2 PRO A 51 33.593 15.156 53.732 1.00 20.51 H new ATOM 0 HG3 PRO A 51 34.864 14.852 54.583 1.00 20.51 H new ATOM 0 HD2 PRO A 51 34.961 16.895 53.045 1.00 19.65 H new ATOM 0 HD3 PRO A 51 36.251 16.023 53.145 1.00 19.65 H new ATOM 300 N GLU A 52 32.376 15.173 51.010 1.00 19.37 N ATOM 301 CA GLU A 52 30.947 15.113 50.677 1.00 19.39 C ATOM 302 C GLU A 52 30.443 16.252 49.802 1.00 18.81 C ATOM 303 O GLU A 52 30.848 17.391 49.971 1.00 19.48 O ATOM 304 CB GLU A 52 30.136 15.097 51.969 1.00 16.80 C ATOM 305 CG GLU A 52 28.643 15.003 51.762 1.00 19.36 C ATOM 306 CD GLU A 52 27.893 14.690 53.045 1.00 18.86 C ATOM 307 OE1 GLU A 52 28.279 13.720 53.738 1.00 20.06 O ATOM 308 OE2 GLU A 52 26.908 15.404 53.339 1.00 19.20 O ATOM 0 H GLU A 52 32.668 15.957 51.208 1.00 19.37 H new ATOM 0 HA GLU A 52 30.832 14.302 50.157 1.00 19.39 H new ATOM 0 HB2 GLU A 52 30.425 14.346 52.511 1.00 16.80 H new ATOM 0 HB3 GLU A 52 30.332 15.903 52.472 1.00 16.80 H new ATOM 0 HG2 GLU A 52 28.317 15.841 51.397 1.00 19.36 H new ATOM 0 HG3 GLU A 52 28.454 14.315 51.105 1.00 19.36 H new ATOM 309 N GLY A 53 29.543 15.948 48.876 1.00 17.32 N ATOM 310 CA GLY A 53 29.020 17.001 48.023 1.00 17.79 C ATOM 311 C GLY A 53 28.618 16.555 46.635 1.00 17.55 C ATOM 312 O GLY A 53 28.827 15.403 46.250 1.00 15.17 O ATOM 0 H GLY A 53 29.230 15.161 48.728 1.00 17.32 H new ATOM 0 HA2 GLY A 53 28.249 17.398 48.457 1.00 17.79 H new ATOM 0 HA3 GLY A 53 29.690 17.698 47.943 1.00 17.79 H new ATOM 313 N VAL A 54 28.058 17.490 45.878 1.00 15.80 N ATOM 314 CA VAL A 54 27.600 17.213 44.529 1.00 16.45 C ATOM 315 C VAL A 54 28.591 17.666 43.481 1.00 16.31 C ATOM 316 O VAL A 54 28.995 18.837 43.469 1.00 16.39 O ATOM 317 CB VAL A 54 26.272 17.937 44.226 1.00 15.88 C ATOM 318 CG1 VAL A 54 25.869 17.684 42.765 1.00 16.61 C ATOM 319 CG2 VAL A 54 25.191 17.486 45.205 1.00 14.71 C ATOM 0 H VAL A 54 27.934 18.302 46.134 1.00 15.80 H new ATOM 0 HA VAL A 54 27.489 16.250 44.489 1.00 16.45 H new ATOM 0 HB VAL A 54 26.385 18.893 44.342 1.00 15.88 H new ATOM 0 HG11 VAL A 54 25.034 18.140 42.576 1.00 16.61 H new ATOM 0 HG12 VAL A 54 26.561 18.021 42.175 1.00 16.61 H new ATOM 0 HG13 VAL A 54 25.757 16.731 42.620 1.00 16.61 H new ATOM 0 HG21 VAL A 54 24.361 17.947 45.006 1.00 14.71 H new ATOM 0 HG22 VAL A 54 25.057 16.529 45.121 1.00 14.71 H new ATOM 0 HG23 VAL A 54 25.467 17.695 46.111 1.00 14.71 H new ATOM 320 N ILE A 55 28.965 16.745 42.599 1.00 13.81 N ATOM 321 CA ILE A 55 29.861 17.066 41.503 1.00 15.41 C ATOM 322 C ILE A 55 28.939 17.563 40.392 1.00 16.00 C ATOM 323 O ILE A 55 29.100 18.672 39.899 1.00 18.55 O ATOM 324 CB ILE A 55 30.684 15.845 41.049 1.00 14.32 C ATOM 325 CG1 ILE A 55 31.682 15.476 42.148 1.00 15.59 C ATOM 326 CG2 ILE A 55 31.473 16.178 39.764 1.00 16.07 C ATOM 327 CD1 ILE A 55 32.494 14.218 41.850 1.00 17.90 C ATOM 0 H ILE A 55 28.708 15.925 42.621 1.00 13.81 H new ATOM 0 HA ILE A 55 30.522 17.728 41.760 1.00 15.41 H new ATOM 0 HB ILE A 55 30.079 15.107 40.875 1.00 14.32 H new ATOM 0 HG12 ILE A 55 32.291 16.219 42.282 1.00 15.59 H new ATOM 0 HG13 ILE A 55 31.201 15.350 42.981 1.00 15.59 H new ATOM 0 HG21 ILE A 55 31.986 15.402 39.489 1.00 16.07 H new ATOM 0 HG22 ILE A 55 30.854 16.422 39.058 1.00 16.07 H new ATOM 0 HG23 ILE A 55 32.075 16.919 39.936 1.00 16.07 H new ATOM 0 HD11 ILE A 55 33.103 14.044 42.585 1.00 17.90 H new ATOM 0 HD12 ILE A 55 31.894 13.463 41.742 1.00 17.90 H new ATOM 0 HD13 ILE A 55 33.001 14.346 41.033 1.00 17.90 H new ATOM 328 N PHE A 56 27.967 16.755 39.988 1.00 15.78 N ATOM 329 CA PHE A 56 27.017 17.239 38.989 1.00 15.13 C ATOM 330 C PHE A 56 25.690 16.501 39.086 1.00 14.50 C ATOM 331 O PHE A 56 25.597 15.377 39.617 1.00 12.95 O ATOM 332 CB PHE A 56 27.616 17.202 37.562 1.00 12.22 C ATOM 333 CG PHE A 56 27.505 15.877 36.872 1.00 14.43 C ATOM 334 CD1 PHE A 56 26.336 15.522 36.202 1.00 15.66 C ATOM 335 CD2 PHE A 56 28.584 15.008 36.842 1.00 12.53 C ATOM 336 CE1 PHE A 56 26.244 14.316 35.499 1.00 15.77 C ATOM 337 CE2 PHE A 56 28.513 13.796 36.147 1.00 16.01 C ATOM 338 CZ PHE A 56 27.338 13.448 35.469 1.00 16.05 C ATOM 0 H PHE A 56 27.840 15.951 40.266 1.00 15.78 H new ATOM 0 HA PHE A 56 26.834 18.172 39.182 1.00 15.13 H new ATOM 0 HB2 PHE A 56 27.172 17.873 37.020 1.00 12.22 H new ATOM 0 HB3 PHE A 56 28.552 17.450 37.611 1.00 12.22 H new ATOM 0 HD1 PHE A 56 25.605 16.096 36.222 1.00 15.66 H new ATOM 0 HD2 PHE A 56 29.367 15.234 37.290 1.00 12.53 H new ATOM 0 HE1 PHE A 56 25.458 14.093 35.054 1.00 15.77 H new ATOM 0 HE2 PHE A 56 29.245 13.222 36.135 1.00 16.01 H new ATOM 0 HZ PHE A 56 27.287 12.645 35.002 1.00 16.05 H new ATOM 339 N TYR A 57 24.661 17.169 38.594 1.00 13.56 N ATOM 340 CA TYR A 57 23.297 16.678 38.631 1.00 15.55 C ATOM 341 C TYR A 57 22.715 16.756 37.227 1.00 17.18 C ATOM 342 O TYR A 57 23.142 17.588 36.418 1.00 18.82 O ATOM 343 CB TYR A 57 22.504 17.563 39.601 1.00 14.39 C ATOM 344 CG TYR A 57 21.003 17.473 39.492 1.00 15.96 C ATOM 345 CD1 TYR A 57 20.253 16.722 40.415 1.00 18.22 C ATOM 346 CD2 TYR A 57 20.326 18.134 38.469 1.00 14.07 C ATOM 347 CE1 TYR A 57 18.863 16.642 40.310 1.00 15.80 C ATOM 348 CE2 TYR A 57 18.948 18.055 38.349 1.00 15.27 C ATOM 349 CZ TYR A 57 18.221 17.314 39.267 1.00 16.34 C ATOM 350 OH TYR A 57 16.858 17.261 39.138 1.00 15.96 O ATOM 0 H TYR A 57 24.738 17.940 38.220 1.00 13.56 H new ATOM 0 HA TYR A 57 23.258 15.757 38.932 1.00 15.55 H new ATOM 0 HB2 TYR A 57 22.760 17.331 40.507 1.00 14.39 H new ATOM 0 HB3 TYR A 57 22.767 18.486 39.459 1.00 14.39 H new ATOM 0 HD1 TYR A 57 20.688 16.273 41.104 1.00 18.22 H new ATOM 0 HD2 TYR A 57 20.809 18.638 37.855 1.00 14.07 H new ATOM 0 HE1 TYR A 57 18.371 16.148 40.926 1.00 15.80 H new ATOM 0 HE2 TYR A 57 18.513 18.497 37.656 1.00 15.27 H new ATOM 0 HH TYR A 57 16.637 17.542 38.378 1.00 15.96 H new ATOM 351 N GLY A 58 21.756 15.885 36.932 1.00 16.33 N ATOM 352 CA GLY A 58 21.128 15.917 35.630 1.00 15.48 C ATOM 353 C GLY A 58 19.696 15.438 35.696 1.00 16.41 C ATOM 354 O GLY A 58 19.374 14.589 36.533 1.00 15.83 O ATOM 0 H GLY A 58 21.462 15.279 37.466 1.00 16.33 H new ATOM 0 HA2 GLY A 58 21.152 16.821 35.279 1.00 15.48 H new ATOM 0 HA3 GLY A 58 21.629 15.360 35.014 1.00 15.48 H new ATOM 355 N ASP A 59 18.834 15.981 34.835 1.00 15.65 N ATOM 356 CA ASP A 59 17.429 15.565 34.788 1.00 17.76 C ATOM 357 C ASP A 59 16.729 15.985 33.503 1.00 18.85 C ATOM 358 O ASP A 59 17.313 16.674 32.671 1.00 18.76 O ATOM 359 CB ASP A 59 16.630 16.122 35.998 1.00 16.05 C ATOM 360 CG ASP A 59 16.292 17.636 35.894 1.00 18.69 C ATOM 361 OD1 ASP A 59 16.299 18.223 34.792 1.00 16.70 O ATOM 362 OD2 ASP A 59 15.983 18.242 36.950 1.00 15.62 O ATOM 0 H ASP A 59 19.043 16.593 34.268 1.00 15.65 H new ATOM 0 HA ASP A 59 17.446 14.596 34.823 1.00 17.76 H new ATOM 0 HB2 ASP A 59 15.804 15.621 36.085 1.00 16.05 H new ATOM 0 HB3 ASP A 59 17.141 15.970 36.808 1.00 16.05 H new ATOM 363 N THR A 60 15.504 15.494 33.333 1.00 19.27 N ATOM 364 CA THR A 60 14.625 15.897 32.242 1.00 21.79 C ATOM 365 C THR A 60 13.355 16.266 33.015 1.00 23.38 C ATOM 366 O THR A 60 12.419 16.824 32.446 1.00 23.80 O ATOM 367 CB THR A 60 14.225 14.769 31.258 1.00 22.36 C ATOM 368 OG1 THR A 60 13.413 13.801 31.939 1.00 22.89 O ATOM 369 CG2 THR A 60 15.442 14.128 30.637 1.00 22.13 C ATOM 0 H THR A 60 15.156 14.908 33.857 1.00 19.27 H new ATOM 0 HA THR A 60 15.054 16.573 31.695 1.00 21.79 H new ATOM 0 HB THR A 60 13.707 15.154 30.534 1.00 22.36 H new ATOM 0 HG1 THR A 60 13.903 13.193 32.250 1.00 22.89 H new ATOM 0 HG21 THR A 60 15.163 13.427 30.027 1.00 22.13 H new ATOM 0 HG22 THR A 60 15.948 14.797 30.150 1.00 22.13 H new ATOM 0 HG23 THR A 60 15.998 13.747 31.334 1.00 22.13 H new ATOM 370 N ASN A 61 13.348 15.927 34.311 1.00 22.81 N ATOM 371 CA ASN A 61 12.226 16.179 35.243 1.00 24.68 C ATOM 372 C ASN A 61 12.753 16.052 36.687 1.00 23.98 C ATOM 373 O ASN A 61 13.137 14.962 37.119 1.00 24.09 O ATOM 374 CB ASN A 61 11.108 15.144 35.022 1.00 24.67 C ATOM 375 CG ASN A 61 9.852 15.446 35.834 1.00 28.14 C ATOM 376 OD1 ASN A 61 9.912 15.646 37.056 1.00 26.79 O ATOM 377 ND2 ASN A 61 8.699 15.471 35.156 1.00 27.58 N ATOM 0 H ASN A 61 14.013 15.532 34.687 1.00 22.81 H new ATOM 0 HA ASN A 61 11.868 17.067 35.087 1.00 24.68 H new ATOM 0 HB2 ASN A 61 10.880 15.117 34.080 1.00 24.67 H new ATOM 0 HB3 ASN A 61 11.437 14.263 35.259 1.00 24.67 H new ATOM 0 HD21 ASN A 61 7.961 15.631 35.568 1.00 27.58 H new ATOM 0 HD22 ASN A 61 8.696 15.328 34.308 1.00 27.58 H new ATOM 378 N PRO A 62 12.758 17.155 37.454 1.00 22.46 N ATOM 379 CA PRO A 62 13.257 17.108 38.834 1.00 22.85 C ATOM 380 C PRO A 62 12.477 16.225 39.802 1.00 25.22 C ATOM 381 O PRO A 62 12.972 15.894 40.880 1.00 25.21 O ATOM 382 CB PRO A 62 13.262 18.577 39.252 1.00 23.55 C ATOM 383 CG PRO A 62 12.104 19.143 38.482 1.00 24.55 C ATOM 384 CD PRO A 62 12.263 18.504 37.117 1.00 23.88 C ATOM 0 HA PRO A 62 14.128 16.682 38.866 1.00 22.85 H new ATOM 0 HB2 PRO A 62 13.143 18.680 40.209 1.00 23.55 H new ATOM 0 HB3 PRO A 62 14.096 19.014 39.021 1.00 23.55 H new ATOM 0 HG2 PRO A 62 11.254 18.914 38.890 1.00 24.55 H new ATOM 0 HG3 PRO A 62 12.143 20.111 38.433 1.00 24.55 H new ATOM 0 HD2 PRO A 62 11.423 18.470 36.634 1.00 23.88 H new ATOM 0 HD3 PRO A 62 12.891 18.991 36.561 1.00 23.88 H new ATOM 385 N LYS A 63 11.265 15.835 39.429 1.00 25.12 N ATOM 386 CA LYS A 63 10.484 14.973 40.309 1.00 28.44 C ATOM 387 C LYS A 63 10.738 13.472 40.096 1.00 28.45 C ATOM 388 O LYS A 63 10.970 12.738 41.058 1.00 29.52 O ATOM 389 CB LYS A 63 8.987 15.255 40.152 1.00 29.55 C ATOM 390 CG LYS A 63 8.114 14.264 40.906 1.00 34.47 C ATOM 391 CD LYS A 63 6.627 14.580 40.775 1.00 37.31 C ATOM 392 CE LYS A 63 5.783 13.457 41.372 1.00 40.53 C ATOM 393 NZ LYS A 63 4.325 13.732 41.278 1.00 40.52 N ATOM 0 H LYS A 63 10.883 16.051 38.690 1.00 25.12 H new ATOM 0 HA LYS A 63 10.779 15.187 41.208 1.00 28.44 H new ATOM 0 HB2 LYS A 63 8.797 16.152 40.468 1.00 29.55 H new ATOM 0 HB3 LYS A 63 8.755 15.231 39.210 1.00 29.55 H new ATOM 0 HG2 LYS A 63 8.282 13.369 40.572 1.00 34.47 H new ATOM 0 HG3 LYS A 63 8.361 14.268 41.844 1.00 34.47 H new ATOM 0 HD2 LYS A 63 6.428 15.415 41.226 1.00 37.31 H new ATOM 0 HD3 LYS A 63 6.398 14.701 39.840 1.00 37.31 H new ATOM 0 HE2 LYS A 63 5.983 12.626 40.913 1.00 40.53 H new ATOM 0 HE3 LYS A 63 6.027 13.332 42.303 1.00 40.53 H new ATOM 0 HZ1 LYS A 63 3.908 13.368 41.975 1.00 40.52 H new ATOM 0 HZ2 LYS A 63 4.188 14.611 41.277 1.00 40.52 H new ATOM 0 HZ3 LYS A 63 4.005 13.382 40.525 1.00 40.52 H new ATOM 394 N ASP A 64 10.727 13.015 38.848 1.00 26.66 N ATOM 395 CA ASP A 64 10.900 11.587 38.617 1.00 26.62 C ATOM 396 C ASP A 64 11.828 11.139 37.493 1.00 23.62 C ATOM 397 O ASP A 64 11.697 10.025 36.992 1.00 21.52 O ATOM 398 CB ASP A 64 9.538 10.971 38.382 1.00 29.59 C ATOM 399 CG ASP A 64 8.760 11.732 37.363 1.00 32.52 C ATOM 400 OD1 ASP A 64 9.384 12.161 36.365 1.00 35.48 O ATOM 401 OD2 ASP A 64 7.540 11.911 37.556 1.00 36.55 O ATOM 0 H ASP A 64 10.624 13.497 38.143 1.00 26.66 H new ATOM 0 HA ASP A 64 11.349 11.281 39.420 1.00 26.62 H new ATOM 0 HB2 ASP A 64 9.644 10.052 38.090 1.00 29.59 H new ATOM 0 HB3 ASP A 64 9.044 10.948 39.217 1.00 29.59 H new ATOM 402 N ASP A 65 12.736 12.004 37.067 1.00 20.41 N ATOM 403 CA ASP A 65 13.685 11.610 36.045 1.00 18.15 C ATOM 404 C ASP A 65 14.926 12.424 36.288 1.00 16.78 C ATOM 405 O ASP A 65 15.207 13.370 35.556 1.00 15.14 O ATOM 406 CB ASP A 65 13.153 11.870 34.634 1.00 17.68 C ATOM 407 CG ASP A 65 13.960 11.143 33.582 1.00 19.47 C ATOM 408 OD1 ASP A 65 14.286 9.962 33.817 1.00 20.36 O ATOM 409 OD2 ASP A 65 14.276 11.732 32.527 1.00 21.57 O ATOM 0 H ASP A 65 12.818 12.811 37.352 1.00 20.41 H new ATOM 0 HA ASP A 65 13.857 10.657 36.099 1.00 18.15 H new ATOM 0 HB2 ASP A 65 12.226 11.588 34.582 1.00 17.68 H new ATOM 0 HB3 ASP A 65 13.171 12.823 34.453 1.00 17.68 H new ATOM 410 N TRP A 66 15.664 12.047 37.329 1.00 16.14 N ATOM 411 CA TRP A 66 16.879 12.763 37.696 1.00 15.43 C ATOM 412 C TRP A 66 18.062 11.854 38.052 1.00 15.57 C ATOM 413 O TRP A 66 17.915 10.640 38.224 1.00 13.37 O ATOM 414 CB TRP A 66 16.582 13.749 38.841 1.00 11.47 C ATOM 415 CG TRP A 66 16.116 13.113 40.131 1.00 14.46 C ATOM 416 CD1 TRP A 66 14.822 12.931 40.542 1.00 12.84 C ATOM 417 CD2 TRP A 66 16.945 12.616 41.187 1.00 10.00 C ATOM 418 NE1 TRP A 66 14.796 12.356 41.795 1.00 12.11 N ATOM 419 CE2 TRP A 66 16.085 12.153 42.213 1.00 12.90 C ATOM 420 CE3 TRP A 66 18.328 12.521 41.369 1.00 13.58 C ATOM 421 CZ2 TRP A 66 16.569 11.600 43.405 1.00 12.39 C ATOM 422 CZ3 TRP A 66 18.815 11.971 42.565 1.00 12.46 C ATOM 423 CH2 TRP A 66 17.935 11.519 43.561 1.00 12.34 C ATOM 0 H TRP A 66 15.477 11.378 37.836 1.00 16.14 H new ATOM 0 HA TRP A 66 17.158 13.248 36.904 1.00 15.43 H new ATOM 0 HB2 TRP A 66 17.384 14.264 39.022 1.00 11.47 H new ATOM 0 HB3 TRP A 66 15.904 14.375 38.542 1.00 11.47 H new ATOM 0 HD1 TRP A 66 14.069 13.162 40.047 1.00 12.84 H new ATOM 0 HE1 TRP A 66 14.088 12.158 42.241 1.00 12.11 H new ATOM 0 HE3 TRP A 66 18.914 12.817 40.710 1.00 13.58 H new ATOM 0 HZ2 TRP A 66 15.989 11.299 44.067 1.00 12.39 H new ATOM 0 HZ3 TRP A 66 19.733 11.905 42.699 1.00 12.46 H new ATOM 0 HH2 TRP A 66 18.282 11.157 44.344 1.00 12.34 H new ATOM 424 N PHE A 67 19.238 12.466 38.162 1.00 15.62 N ATOM 425 CA PHE A 67 20.487 11.760 38.434 1.00 14.91 C ATOM 426 C PHE A 67 21.441 12.671 39.179 1.00 15.26 C ATOM 427 O PHE A 67 21.450 13.882 38.966 1.00 15.33 O ATOM 428 CB PHE A 67 21.124 11.370 37.092 1.00 13.52 C ATOM 429 CG PHE A 67 22.554 10.865 37.178 1.00 14.11 C ATOM 430 CD1 PHE A 67 22.829 9.492 37.089 1.00 14.09 C ATOM 431 CD2 PHE A 67 23.631 11.761 37.234 1.00 13.50 C ATOM 432 CE1 PHE A 67 24.156 9.021 37.045 1.00 12.58 C ATOM 433 CE2 PHE A 67 24.958 11.307 37.190 1.00 12.70 C ATOM 434 CZ PHE A 67 25.224 9.928 37.093 1.00 11.36 C ATOM 0 H PHE A 67 19.334 13.317 38.079 1.00 15.62 H new ATOM 0 HA PHE A 67 20.308 10.973 38.972 1.00 14.91 H new ATOM 0 HB2 PHE A 67 20.578 10.683 36.678 1.00 13.52 H new ATOM 0 HB3 PHE A 67 21.103 12.141 36.504 1.00 13.52 H new ATOM 0 HD1 PHE A 67 22.126 8.884 37.059 1.00 14.09 H new ATOM 0 HD2 PHE A 67 23.463 12.673 37.302 1.00 13.50 H new ATOM 0 HE1 PHE A 67 24.324 8.108 36.984 1.00 12.58 H new ATOM 0 HE2 PHE A 67 25.660 11.916 37.225 1.00 12.70 H new ATOM 0 HZ PHE A 67 26.101 9.621 37.061 1.00 11.36 H new ATOM 435 N MET A 68 22.245 12.091 40.057 1.00 13.72 N ATOM 436 CA MET A 68 23.249 12.876 40.755 1.00 15.86 C ATOM 437 C MET A 68 24.540 12.088 40.958 1.00 14.37 C ATOM 438 O MET A 68 24.497 10.922 41.352 1.00 12.13 O ATOM 439 CB MET A 68 22.747 13.330 42.129 1.00 18.33 C ATOM 440 CG MET A 68 23.769 14.176 42.876 1.00 23.74 C ATOM 441 SD MET A 68 24.327 13.468 44.439 1.00 30.50 S ATOM 442 CE MET A 68 23.154 13.994 45.465 1.00 27.39 C ATOM 0 H MET A 68 22.227 11.256 40.261 1.00 13.72 H new ATOM 0 HA MET A 68 23.425 13.649 40.196 1.00 15.86 H new ATOM 0 HB2 MET A 68 21.929 13.840 42.018 1.00 18.33 H new ATOM 0 HB3 MET A 68 22.526 12.551 42.662 1.00 18.33 H new ATOM 0 HG2 MET A 68 24.539 14.313 42.303 1.00 23.74 H new ATOM 0 HG3 MET A 68 23.385 15.050 43.049 1.00 23.74 H new ATOM 0 HE1 MET A 68 23.557 14.514 46.178 1.00 27.39 H new ATOM 0 HE2 MET A 68 22.523 14.547 44.979 1.00 27.39 H new ATOM 0 HE3 MET A 68 22.690 13.231 45.844 1.00 27.39 H new ATOM 443 N LEU A 69 25.676 12.718 40.649 1.00 12.37 N ATOM 444 CA LEU A 69 26.977 12.114 40.921 1.00 13.13 C ATOM 445 C LEU A 69 27.588 13.030 41.976 1.00 13.83 C ATOM 446 O LEU A 69 27.665 14.253 41.804 1.00 13.14 O ATOM 447 CB LEU A 69 27.906 12.089 39.702 1.00 12.63 C ATOM 448 CG LEU A 69 29.359 11.709 40.052 1.00 15.79 C ATOM 449 CD1 LEU A 69 29.437 10.215 40.489 1.00 13.58 C ATOM 450 CD2 LEU A 69 30.264 11.959 38.848 1.00 12.81 C ATOM 0 H LEU A 69 25.712 13.495 40.282 1.00 12.37 H new ATOM 0 HA LEU A 69 26.870 11.188 41.190 1.00 13.13 H new ATOM 0 HB2 LEU A 69 27.560 11.457 39.052 1.00 12.63 H new ATOM 0 HB3 LEU A 69 27.899 12.962 39.280 1.00 12.63 H new ATOM 0 HG LEU A 69 29.660 12.260 40.791 1.00 15.79 H new ATOM 0 HD11 LEU A 69 30.355 9.989 40.706 1.00 13.58 H new ATOM 0 HD12 LEU A 69 28.877 10.076 41.269 1.00 13.58 H new ATOM 0 HD13 LEU A 69 29.128 9.649 39.764 1.00 13.58 H new ATOM 0 HD21 LEU A 69 31.176 11.719 39.073 1.00 12.81 H new ATOM 0 HD22 LEU A 69 29.963 11.420 38.100 1.00 12.81 H new ATOM 0 HD23 LEU A 69 30.228 12.897 38.605 1.00 12.81 H new ATOM 451 N GLY A 70 27.997 12.451 43.088 1.00 13.15 N ATOM 452 CA GLY A 70 28.613 13.256 44.119 1.00 14.75 C ATOM 453 C GLY A 70 29.630 12.418 44.846 1.00 14.13 C ATOM 454 O GLY A 70 30.047 11.362 44.351 1.00 15.57 O ATOM 0 H GLY A 70 27.930 11.612 43.263 1.00 13.15 H new ATOM 0 HA2 GLY A 70 29.038 14.035 43.728 1.00 14.75 H new ATOM 0 HA3 GLY A 70 27.941 13.581 44.738 1.00 14.75 H new ATOM 455 N LEU A 71 30.045 12.902 46.011 1.00 15.66 N ATOM 456 CA LEU A 71 30.967 12.168 46.853 1.00 16.83 C ATOM 457 C LEU A 71 30.326 12.044 48.231 1.00 16.79 C ATOM 458 O LEU A 71 29.594 12.940 48.662 1.00 16.47 O ATOM 459 CB LEU A 71 32.292 12.917 47.025 1.00 17.61 C ATOM 460 CG LEU A 71 33.196 13.171 45.815 1.00 18.11 C ATOM 461 CD1 LEU A 71 34.391 14.001 46.297 1.00 19.83 C ATOM 462 CD2 LEU A 71 33.664 11.850 45.186 1.00 16.31 C ATOM 0 H LEU A 71 29.799 13.662 46.331 1.00 15.66 H new ATOM 0 HA LEU A 71 31.148 11.307 46.444 1.00 16.83 H new ATOM 0 HB2 LEU A 71 32.086 13.780 47.416 1.00 17.61 H new ATOM 0 HB3 LEU A 71 32.816 12.428 47.678 1.00 17.61 H new ATOM 0 HG LEU A 71 32.707 13.650 45.128 1.00 18.11 H new ATOM 0 HD11 LEU A 71 34.984 14.179 45.550 1.00 19.83 H new ATOM 0 HD12 LEU A 71 34.075 14.841 46.665 1.00 19.83 H new ATOM 0 HD13 LEU A 71 34.872 13.509 46.981 1.00 19.83 H new ATOM 0 HD21 LEU A 71 34.234 12.038 44.424 1.00 16.31 H new ATOM 0 HD22 LEU A 71 34.162 11.337 45.842 1.00 16.31 H new ATOM 0 HD23 LEU A 71 32.893 11.339 44.894 1.00 16.31 H new ATOM 463 N ARG A 72 30.574 10.922 48.895 1.00 15.10 N ATOM 464 CA ARG A 72 30.117 10.715 50.268 1.00 16.53 C ATOM 465 C ARG A 72 31.267 9.898 50.862 1.00 17.03 C ATOM 466 O ARG A 72 31.688 8.882 50.292 1.00 16.82 O ATOM 467 CB ARG A 72 28.775 9.974 50.353 1.00 14.52 C ATOM 468 CG ARG A 72 28.174 10.059 51.785 1.00 15.35 C ATOM 469 CD ARG A 72 26.966 9.152 51.997 1.00 12.95 C ATOM 470 NE ARG A 72 25.870 9.481 51.083 1.00 13.96 N ATOM 471 CZ ARG A 72 24.915 10.366 51.324 1.00 13.00 C ATOM 472 NH1 ARG A 72 24.892 11.030 52.474 1.00 15.38 N ATOM 473 NH2 ARG A 72 23.997 10.611 50.396 1.00 11.92 N ATOM 0 H ARG A 72 31.011 10.259 48.565 1.00 15.10 H new ATOM 0 HA ARG A 72 29.937 11.544 50.738 1.00 16.53 H new ATOM 0 HB2 ARG A 72 28.152 10.355 49.715 1.00 14.52 H new ATOM 0 HB3 ARG A 72 28.900 9.044 50.107 1.00 14.52 H new ATOM 0 HG2 ARG A 72 28.860 9.826 52.430 1.00 15.35 H new ATOM 0 HG3 ARG A 72 27.915 10.976 51.965 1.00 15.35 H new ATOM 0 HD2 ARG A 72 27.229 8.228 51.867 1.00 12.95 H new ATOM 0 HD3 ARG A 72 26.658 9.233 52.913 1.00 12.95 H new ATOM 0 HE ARG A 72 25.845 9.066 50.330 1.00 13.96 H new ATOM 0 HH11 ARG A 72 25.499 10.886 53.066 1.00 15.38 H new ATOM 0 HH12 ARG A 72 24.270 11.604 52.627 1.00 15.38 H new ATOM 0 HH21 ARG A 72 24.025 10.196 49.643 1.00 11.92 H new ATOM 0 HH22 ARG A 72 23.375 11.185 50.548 1.00 11.92 H new ATOM 474 N AASP A 73 31.784 10.350 51.998 0.50 18.29 N ATOM 475 N BASP A 73 31.770 10.363 52.003 0.50 18.04 N ATOM 476 CA AASP A 73 32.903 9.673 52.636 0.50 18.84 C ATOM 477 CA BASP A 73 32.914 9.766 52.684 0.50 18.51 C ATOM 478 C AASP A 73 34.063 9.615 51.648 0.50 18.79 C ATOM 479 C BASP A 73 34.070 9.648 51.694 0.50 18.39 C ATOM 480 O AASP A 73 34.804 8.630 51.600 0.50 18.72 O ATOM 481 O BASP A 73 34.802 8.656 51.680 0.50 18.28 O ATOM 482 CB AASP A 73 32.500 8.257 53.068 0.50 20.88 C ATOM 483 CB BASP A 73 32.579 8.395 53.310 0.50 19.99 C ATOM 484 CG AASP A 73 31.269 8.248 53.946 0.50 22.46 C ATOM 485 CG BASP A 73 33.614 7.960 54.362 0.50 22.21 C ATOM 486 OD1AASP A 73 31.301 8.856 55.035 0.50 24.68 O ATOM 487 OD1BASP A 73 34.468 8.789 54.763 0.50 22.76 O ATOM 488 OD2AASP A 73 30.258 7.637 53.544 0.50 26.72 O ATOM 489 OD2BASP A 73 33.580 6.789 54.800 0.50 25.02 O ATOM 0 H AASP A 73 31.501 11.047 52.415 0.50 18.04 H new ATOM 0 H BASP A 73 31.448 11.049 52.411 0.50 18.04 H new ATOM 0 HA AASP A 73 33.170 10.162 53.430 0.50 18.51 H new ATOM 0 HA BASP A 73 33.167 10.344 53.421 0.50 18.51 H new ATOM 0 HB2AASP A 73 32.335 7.716 52.280 0.50 19.99 H new ATOM 0 HB2BASP A 73 31.702 8.436 53.721 0.50 19.99 H new ATOM 0 HB3AASP A 73 33.237 7.846 53.546 0.50 19.99 H new ATOM 0 HB3BASP A 73 32.533 7.725 52.610 0.50 19.99 H new ATOM 490 N GLY A 74 34.205 10.679 50.855 1.00 19.63 N ATOM 491 CA GLY A 74 35.281 10.750 49.873 1.00 16.88 C ATOM 492 C GLY A 74 35.138 9.952 48.586 1.00 18.59 C ATOM 493 O GLY A 74 35.913 10.145 47.635 1.00 18.73 O ATOM 0 H AGLY A 74 33.689 11.367 50.872 0.50 19.63 H new ATOM 0 H BGLY A 74 33.673 11.355 50.842 0.50 19.63 H new ATOM 0 HA2 GLY A 74 35.400 11.682 49.631 1.00 16.88 H new ATOM 0 HA3 GLY A 74 36.099 10.464 50.309 1.00 16.88 H new ATOM 494 N ARG A 75 34.147 9.069 48.527 1.00 16.91 N ATOM 495 CA ARG A 75 33.973 8.220 47.345 1.00 13.73 C ATOM 496 C ARG A 75 32.793 8.595 46.467 1.00 14.48 C ATOM 497 O ARG A 75 31.816 9.185 46.932 1.00 14.01 O ATOM 498 CB ARG A 75 33.794 6.755 47.767 1.00 15.34 C ATOM 499 CG ARG A 75 34.924 6.193 48.639 1.00 16.99 C ATOM 500 CD ARG A 75 34.639 4.749 49.077 1.00 21.30 C ATOM 501 NE ARG A 75 35.618 4.331 50.077 1.00 23.81 N ATOM 502 CZ ARG A 75 36.731 3.664 49.794 1.00 24.85 C ATOM 503 NH1 ARG A 75 36.999 3.313 48.542 1.00 23.41 N ATOM 504 NH2 ARG A 75 37.600 3.402 50.756 1.00 23.79 N ATOM 0 H ARG A 75 33.569 8.944 49.151 1.00 16.91 H new ATOM 0 HA ARG A 75 34.779 8.353 46.822 1.00 13.73 H new ATOM 0 HB2 ARG A 75 32.957 6.671 48.251 1.00 15.34 H new ATOM 0 HB3 ARG A 75 33.716 6.209 46.969 1.00 15.34 H new ATOM 0 HG2 ARG A 75 35.759 6.223 48.146 1.00 16.99 H new ATOM 0 HG3 ARG A 75 35.037 6.753 49.423 1.00 16.99 H new ATOM 0 HD2 ARG A 75 33.743 4.684 49.443 1.00 21.30 H new ATOM 0 HD3 ARG A 75 34.675 4.157 48.310 1.00 21.30 H new ATOM 0 HE ARG A 75 35.464 4.529 50.900 1.00 23.81 H new ATOM 0 HH11 ARG A 75 36.451 3.518 47.911 1.00 23.41 H new ATOM 0 HH12 ARG A 75 37.720 2.881 48.362 1.00 23.41 H new ATOM 0 HH21 ARG A 75 37.443 3.663 51.560 1.00 23.79 H new ATOM 0 HH22 ARG A 75 38.322 2.970 50.577 1.00 23.79 H new ATOM 505 N PRO A 76 32.875 8.259 45.174 1.00 13.44 N ATOM 506 CA PRO A 76 31.770 8.570 44.263 1.00 14.63 C ATOM 507 C PRO A 76 30.465 7.953 44.768 1.00 14.77 C ATOM 508 O PRO A 76 30.462 6.863 45.340 1.00 13.74 O ATOM 509 CB PRO A 76 32.186 7.899 42.962 1.00 12.08 C ATOM 510 CG PRO A 76 33.713 8.006 43.007 1.00 17.72 C ATOM 511 CD PRO A 76 34.042 7.710 44.452 1.00 12.91 C ATOM 0 HA PRO A 76 31.613 9.523 44.176 1.00 14.63 H new ATOM 0 HB2 PRO A 76 31.890 6.976 42.921 1.00 12.08 H new ATOM 0 HB3 PRO A 76 31.815 8.351 42.188 1.00 12.08 H new ATOM 0 HG2 PRO A 76 34.134 7.371 42.407 1.00 17.72 H new ATOM 0 HG3 PRO A 76 34.018 8.889 42.744 1.00 17.72 H new ATOM 0 HD2 PRO A 76 34.147 6.759 44.609 1.00 12.91 H new ATOM 0 HD3 PRO A 76 34.869 8.136 44.727 1.00 12.91 H new ATOM 512 N GLU A 77 29.370 8.666 44.555 1.00 13.55 N ATOM 513 CA GLU A 77 28.057 8.171 44.890 1.00 13.28 C ATOM 514 C GLU A 77 27.115 8.618 43.790 1.00 14.24 C ATOM 515 O GLU A 77 27.136 9.773 43.355 1.00 14.15 O ATOM 516 CB GLU A 77 27.535 8.709 46.232 1.00 13.02 C ATOM 517 CG GLU A 77 26.094 8.262 46.501 1.00 14.71 C ATOM 518 CD GLU A 77 25.549 8.753 47.824 1.00 15.96 C ATOM 519 OE1 GLU A 77 25.953 8.192 48.862 1.00 15.20 O ATOM 520 OE2 GLU A 77 24.719 9.701 47.818 1.00 16.18 O ATOM 0 H GLU A 77 29.373 9.454 44.210 1.00 13.55 H new ATOM 0 HA GLU A 77 28.107 7.206 44.973 1.00 13.28 H new ATOM 0 HB2 GLU A 77 28.109 8.400 46.950 1.00 13.02 H new ATOM 0 HB3 GLU A 77 27.579 9.678 46.231 1.00 13.02 H new ATOM 0 HG2 GLU A 77 25.524 8.583 45.785 1.00 14.71 H new ATOM 0 HG3 GLU A 77 26.054 7.293 46.482 1.00 14.71 H new ATOM 521 N ILE A 78 26.314 7.683 43.307 1.00 11.72 N ATOM 522 CA ILE A 78 25.319 8.027 42.325 1.00 10.31 C ATOM 523 C ILE A 78 23.951 7.737 42.910 1.00 12.01 C ATOM 524 O ILE A 78 23.728 6.678 43.527 1.00 10.56 O ATOM 525 CB ILE A 78 25.464 7.210 41.027 1.00 9.51 C ATOM 526 CG1 ILE A 78 26.673 7.708 40.224 1.00 9.01 C ATOM 527 CG2 ILE A 78 24.183 7.348 40.171 1.00 8.20 C ATOM 528 CD1 ILE A 78 26.944 6.877 38.957 1.00 13.63 C ATOM 0 H ILE A 78 26.333 6.854 43.535 1.00 11.72 H new ATOM 0 HA ILE A 78 25.433 8.965 42.105 1.00 10.31 H new ATOM 0 HB ILE A 78 25.597 6.277 41.258 1.00 9.51 H new ATOM 0 HG12 ILE A 78 26.527 8.633 39.972 1.00 9.01 H new ATOM 0 HG13 ILE A 78 27.460 7.689 40.791 1.00 9.01 H new ATOM 0 HG21 ILE A 78 24.281 6.831 39.356 1.00 8.20 H new ATOM 0 HG22 ILE A 78 23.421 7.018 40.673 1.00 8.20 H new ATOM 0 HG23 ILE A 78 24.042 8.281 39.947 1.00 8.20 H new ATOM 0 HD11 ILE A 78 27.716 7.237 38.493 1.00 13.63 H new ATOM 0 HD12 ILE A 78 27.117 5.955 39.205 1.00 13.63 H new ATOM 0 HD13 ILE A 78 26.170 6.914 38.374 1.00 13.63 H new ATOM 529 N GLN A 79 23.058 8.710 42.761 1.00 11.93 N ATOM 530 CA GLN A 79 21.664 8.548 43.145 1.00 12.74 C ATOM 531 C GLN A 79 20.948 8.764 41.827 1.00 14.31 C ATOM 532 O GLN A 79 21.287 9.667 41.059 1.00 14.07 O ATOM 533 CB GLN A 79 21.221 9.570 44.171 1.00 9.99 C ATOM 534 CG GLN A 79 21.646 9.188 45.561 1.00 12.60 C ATOM 535 CD GLN A 79 21.103 10.128 46.622 1.00 13.42 C ATOM 536 OE1 GLN A 79 19.907 10.460 46.642 1.00 12.58 O ATOM 537 NE2 GLN A 79 21.977 10.555 47.514 1.00 9.85 N ATOM 0 H GLN A 79 23.245 9.483 42.434 1.00 11.93 H new ATOM 0 HA GLN A 79 21.486 7.692 43.565 1.00 12.74 H new ATOM 0 HB2 GLN A 79 21.594 10.437 43.946 1.00 9.99 H new ATOM 0 HB3 GLN A 79 20.256 9.660 44.141 1.00 9.99 H new ATOM 0 HG2 GLN A 79 21.345 8.285 45.750 1.00 12.60 H new ATOM 0 HG3 GLN A 79 22.615 9.180 45.608 1.00 12.60 H new ATOM 0 HE21 GLN A 79 22.798 10.302 47.467 1.00 9.85 H new ATOM 0 HE22 GLN A 79 21.726 11.086 48.142 1.00 9.85 H new ATOM 538 N LEU A 80 19.966 7.926 41.554 1.00 14.34 N ATOM 539 CA LEU A 80 19.272 8.016 40.280 1.00 16.68 C ATOM 540 C LEU A 80 17.826 7.661 40.532 1.00 16.51 C ATOM 541 O LEU A 80 17.536 6.763 41.325 1.00 13.80 O ATOM 542 CB LEU A 80 19.948 7.027 39.304 1.00 17.39 C ATOM 543 CG LEU A 80 19.494 6.602 37.912 1.00 23.11 C ATOM 544 CD1 LEU A 80 20.696 6.020 37.154 1.00 21.07 C ATOM 545 CD2 LEU A 80 18.371 5.577 38.012 1.00 21.20 C ATOM 0 H LEU A 80 19.687 7.306 42.081 1.00 14.34 H new ATOM 0 HA LEU A 80 19.312 8.903 39.890 1.00 16.68 H new ATOM 0 HB2 LEU A 80 20.846 7.373 39.179 1.00 17.39 H new ATOM 0 HB3 LEU A 80 20.030 6.200 39.804 1.00 17.39 H new ATOM 0 HG LEU A 80 19.152 7.371 37.429 1.00 23.11 H new ATOM 0 HD11 LEU A 80 20.417 5.746 36.266 1.00 21.07 H new ATOM 0 HD12 LEU A 80 21.390 6.694 37.081 1.00 21.07 H new ATOM 0 HD13 LEU A 80 21.041 5.252 37.635 1.00 21.07 H new ATOM 0 HD21 LEU A 80 18.091 5.315 37.121 1.00 21.20 H new ATOM 0 HD22 LEU A 80 18.687 4.797 38.494 1.00 21.20 H new ATOM 0 HD23 LEU A 80 17.619 5.966 38.485 1.00 21.20 H new ATOM 546 N HIS A 81 16.924 8.378 39.870 1.00 15.77 N ATOM 547 CA HIS A 81 15.505 8.107 40.014 1.00 16.45 C ATOM 548 C HIS A 81 14.778 8.312 38.697 1.00 16.46 C ATOM 549 O HIS A 81 14.686 9.436 38.194 1.00 15.25 O ATOM 550 CB HIS A 81 14.874 9.009 41.088 1.00 17.20 C ATOM 551 CG HIS A 81 13.424 8.725 41.339 1.00 17.93 C ATOM 552 ND1 HIS A 81 12.979 8.018 42.435 1.00 19.32 N ATOM 553 CD2 HIS A 81 12.317 9.026 40.616 1.00 21.65 C ATOM 554 CE1 HIS A 81 11.665 7.894 42.379 1.00 19.51 C ATOM 555 NE2 HIS A 81 11.238 8.496 41.283 1.00 19.94 N ATOM 0 H HIS A 81 17.115 9.023 39.335 1.00 15.77 H new ATOM 0 HA HIS A 81 15.415 7.181 40.288 1.00 16.45 H new ATOM 0 HB2 HIS A 81 15.365 8.902 41.918 1.00 17.20 H new ATOM 0 HB3 HIS A 81 14.972 9.936 40.819 1.00 17.20 H new ATOM 0 HD1 HIS A 81 13.480 7.705 43.060 1.00 19.32 H new ATOM 0 HD2 HIS A 81 12.292 9.502 39.818 1.00 21.65 H new ATOM 0 HE1 HIS A 81 11.132 7.458 43.004 1.00 19.51 H new ATOM 556 N ASN A 82 14.277 7.217 38.129 1.00 16.54 N ATOM 557 CA ASN A 82 13.512 7.297 36.889 1.00 17.74 C ATOM 558 C ASN A 82 12.500 6.163 36.813 1.00 19.24 C ATOM 559 O ASN A 82 12.332 5.387 37.769 1.00 19.03 O ATOM 560 CB ASN A 82 14.421 7.311 35.637 1.00 17.88 C ATOM 561 CG ASN A 82 15.258 6.050 35.475 1.00 17.12 C ATOM 562 OD1 ASN A 82 14.856 4.948 35.866 1.00 16.79 O ATOM 563 ND2 ASN A 82 16.424 6.209 34.864 1.00 14.80 N ATOM 0 H ASN A 82 14.369 6.422 38.445 1.00 16.54 H new ATOM 0 HA ASN A 82 13.035 8.142 36.899 1.00 17.74 H new ATOM 0 HB2 ASN A 82 13.869 7.427 34.848 1.00 17.88 H new ATOM 0 HB3 ASN A 82 15.012 8.078 35.685 1.00 17.88 H new ATOM 0 HD21 ASN A 82 16.933 5.530 34.726 1.00 14.80 H new ATOM 0 HD22 ASN A 82 16.671 6.991 34.606 1.00 14.80 H new ATOM 564 N HIS A 83 11.818 6.081 35.681 1.00 21.04 N ATOM 565 CA HIS A 83 10.796 5.064 35.459 1.00 23.54 C ATOM 566 C HIS A 83 11.299 3.632 35.674 1.00 22.81 C ATOM 567 O HIS A 83 10.557 2.777 36.147 1.00 22.18 O ATOM 568 CB HIS A 83 10.253 5.218 34.030 1.00 27.32 C ATOM 569 CG HIS A 83 9.229 4.195 33.648 1.00 30.36 C ATOM 570 ND1 HIS A 83 8.024 4.060 34.308 1.00 33.98 N ATOM 571 CD2 HIS A 83 9.213 3.283 32.649 1.00 31.64 C ATOM 572 CE1 HIS A 83 7.310 3.110 33.729 1.00 31.05 C ATOM 573 NE2 HIS A 83 8.009 2.623 32.721 1.00 33.11 N ATOM 0 H HIS A 83 11.933 6.614 35.016 1.00 21.04 H new ATOM 0 HA HIS A 83 10.098 5.205 36.118 1.00 23.54 H new ATOM 0 HB2 HIS A 83 9.863 6.101 33.937 1.00 27.32 H new ATOM 0 HB3 HIS A 83 10.994 5.167 33.406 1.00 27.32 H new ATOM 0 HD2 HIS A 83 9.890 3.131 32.029 1.00 31.64 H new ATOM 0 HE1 HIS A 83 6.461 2.832 33.988 1.00 31.05 H new ATOM 0 HE2 HIS A 83 7.753 1.994 32.194 1.00 33.11 H new ATOM 574 N TRP A 84 12.564 3.386 35.348 1.00 20.84 N ATOM 575 CA TRP A 84 13.145 2.047 35.449 1.00 20.71 C ATOM 576 C TRP A 84 13.884 1.685 36.732 1.00 19.66 C ATOM 577 O TRP A 84 13.948 0.521 37.110 1.00 18.41 O ATOM 578 CB TRP A 84 14.113 1.834 34.285 1.00 23.60 C ATOM 579 CG TRP A 84 13.478 2.048 32.949 1.00 30.16 C ATOM 580 CD1 TRP A 84 12.693 1.166 32.259 1.00 32.16 C ATOM 581 CD2 TRP A 84 13.564 3.228 32.144 1.00 31.79 C ATOM 582 NE1 TRP A 84 12.291 1.725 31.068 1.00 34.53 N ATOM 583 CE2 TRP A 84 12.810 2.990 30.974 1.00 33.60 C ATOM 584 CE3 TRP A 84 14.205 4.466 32.300 1.00 32.61 C ATOM 585 CZ2 TRP A 84 12.678 3.949 29.957 1.00 35.39 C ATOM 586 CZ3 TRP A 84 14.075 5.421 31.290 1.00 35.21 C ATOM 587 CH2 TRP A 84 13.318 5.156 30.134 1.00 36.41 C ATOM 0 H TRP A 84 13.109 3.987 35.063 1.00 20.84 H new ATOM 0 HA TRP A 84 12.368 1.467 35.437 1.00 20.71 H new ATOM 0 HB2 TRP A 84 14.864 2.440 34.381 1.00 23.60 H new ATOM 0 HB3 TRP A 84 14.468 0.932 34.328 1.00 23.60 H new ATOM 0 HD1 TRP A 84 12.464 0.313 32.552 1.00 32.16 H new ATOM 0 HE1 TRP A 84 11.795 1.343 30.479 1.00 34.53 H new ATOM 0 HE3 TRP A 84 14.707 4.647 33.062 1.00 32.61 H new ATOM 0 HZ2 TRP A 84 12.177 3.776 29.193 1.00 35.39 H new ATOM 0 HZ3 TRP A 84 14.495 6.245 31.383 1.00 35.21 H new ATOM 0 HH2 TRP A 84 13.248 5.809 29.476 1.00 36.41 H new ATOM 588 N ALA A 85 14.470 2.665 37.395 1.00 17.62 N ATOM 589 CA ALA A 85 15.233 2.331 38.579 1.00 16.10 C ATOM 590 C ALA A 85 15.304 3.486 39.554 1.00 16.81 C ATOM 591 O ALA A 85 15.140 4.646 39.177 1.00 15.32 O ATOM 592 CB ALA A 85 16.637 1.917 38.158 1.00 14.17 C ATOM 0 H ALA A 85 14.441 3.499 37.187 1.00 17.62 H new ATOM 0 HA ALA A 85 14.786 1.600 39.034 1.00 16.10 H new ATOM 0 HB1 ALA A 85 17.157 1.691 38.945 1.00 14.17 H new ATOM 0 HB2 ALA A 85 16.585 1.146 37.572 1.00 14.17 H new ATOM 0 HB3 ALA A 85 17.064 2.651 37.688 1.00 14.17 H new ATOM 593 N GLN A 86 15.547 3.147 40.817 1.00 17.37 N ATOM 594 CA GLN A 86 15.669 4.142 41.877 1.00 18.78 C ATOM 595 C GLN A 86 16.764 3.585 42.777 1.00 18.07 C ATOM 596 O GLN A 86 16.595 2.535 43.391 1.00 17.95 O ATOM 597 CB GLN A 86 14.337 4.283 42.616 1.00 20.38 C ATOM 598 CG GLN A 86 13.122 4.570 41.693 1.00 21.32 C ATOM 599 CD GLN A 86 12.547 3.304 41.058 1.00 22.01 C ATOM 600 OE1 GLN A 86 12.480 2.262 41.706 1.00 23.21 O ATOM 601 NE2 GLN A 86 12.110 3.397 39.800 1.00 20.27 N ATOM 0 H GLN A 86 15.646 2.335 41.083 1.00 17.37 H new ATOM 0 HA GLN A 86 15.888 5.030 41.554 1.00 18.78 H new ATOM 0 HB2 GLN A 86 14.167 3.468 43.113 1.00 20.38 H new ATOM 0 HB3 GLN A 86 14.413 5.000 43.265 1.00 20.38 H new ATOM 0 HG2 GLN A 86 12.428 5.013 42.207 1.00 21.32 H new ATOM 0 HG3 GLN A 86 13.392 5.184 40.992 1.00 21.32 H new ATOM 0 HE21 GLN A 86 12.173 4.143 39.377 1.00 20.27 H new ATOM 0 HE22 GLN A 86 11.765 2.711 39.413 1.00 20.27 H new ATOM 602 N LEU A 87 17.896 4.277 42.844 1.00 16.07 N ATOM 603 CA LEU A 87 19.015 3.764 43.619 1.00 14.92 C ATOM 604 C LEU A 87 19.964 4.799 44.203 1.00 14.69 C ATOM 605 O LEU A 87 20.010 5.957 43.769 1.00 13.24 O ATOM 606 CB LEU A 87 19.808 2.793 42.735 1.00 18.36 C ATOM 607 CG LEU A 87 20.272 3.338 41.389 1.00 17.58 C ATOM 608 CD1 LEU A 87 21.624 4.016 41.601 1.00 23.04 C ATOM 609 CD2 LEU A 87 20.395 2.217 40.346 1.00 19.73 C ATOM 0 H LEU A 87 18.034 5.032 42.455 1.00 16.07 H new ATOM 0 HA LEU A 87 18.618 3.336 44.394 1.00 14.92 H new ATOM 0 HB2 LEU A 87 20.588 2.497 43.230 1.00 18.36 H new ATOM 0 HB3 LEU A 87 19.260 2.009 42.574 1.00 18.36 H new ATOM 0 HG LEU A 87 19.620 3.972 41.051 1.00 17.58 H new ATOM 0 HD11 LEU A 87 21.943 4.373 40.757 1.00 23.04 H new ATOM 0 HD12 LEU A 87 21.527 4.738 42.241 1.00 23.04 H new ATOM 0 HD13 LEU A 87 22.262 3.368 41.939 1.00 23.04 H new ATOM 0 HD21 LEU A 87 20.691 2.591 39.502 1.00 19.73 H new ATOM 0 HD22 LEU A 87 21.040 1.560 40.652 1.00 19.73 H new ATOM 0 HD23 LEU A 87 19.532 1.791 40.225 1.00 19.73 H new ATOM 610 N THR A 88 20.728 4.335 45.186 1.00 13.72 N ATOM 611 CA THR A 88 21.734 5.117 45.897 1.00 11.56 C ATOM 612 C THR A 88 22.911 4.153 45.998 1.00 12.74 C ATOM 613 O THR A 88 22.876 3.181 46.765 1.00 11.13 O ATOM 614 CB THR A 88 21.247 5.483 47.287 1.00 11.88 C ATOM 615 OG1 THR A 88 20.011 6.197 47.176 1.00 14.13 O ATOM 616 CG2 THR A 88 22.290 6.348 48.008 1.00 10.51 C ATOM 0 H THR A 88 20.673 3.525 45.468 1.00 13.72 H new ATOM 0 HA THR A 88 21.949 5.951 45.452 1.00 11.56 H new ATOM 0 HB THR A 88 21.112 4.673 47.804 1.00 11.88 H new ATOM 0 HG1 THR A 88 19.735 6.401 47.943 1.00 14.13 H new ATOM 0 HG21 THR A 88 21.966 6.574 48.894 1.00 10.51 H new ATOM 0 HG22 THR A 88 23.122 5.856 48.084 1.00 10.51 H new ATOM 0 HG23 THR A 88 22.442 7.162 47.502 1.00 10.51 H new ATOM 617 N VAL A 89 23.957 4.430 45.228 1.00 12.02 N ATOM 618 CA VAL A 89 25.107 3.537 45.163 1.00 13.05 C ATOM 619 C VAL A 89 26.470 4.209 45.279 1.00 11.48 C ATOM 620 O VAL A 89 26.739 5.171 44.576 1.00 12.51 O ATOM 621 CB VAL A 89 25.074 2.759 43.816 1.00 13.11 C ATOM 622 CG1 VAL A 89 26.318 1.912 43.662 1.00 14.57 C ATOM 623 CG2 VAL A 89 23.812 1.910 43.726 1.00 12.23 C ATOM 0 H VAL A 89 24.021 5.131 44.734 1.00 12.02 H new ATOM 0 HA VAL A 89 25.020 2.961 45.938 1.00 13.05 H new ATOM 0 HB VAL A 89 25.058 3.398 43.086 1.00 13.11 H new ATOM 0 HG11 VAL A 89 26.282 1.434 42.819 1.00 14.57 H new ATOM 0 HG12 VAL A 89 27.102 2.483 43.677 1.00 14.57 H new ATOM 0 HG13 VAL A 89 26.369 1.275 44.392 1.00 14.57 H new ATOM 0 HG21 VAL A 89 23.804 1.431 42.883 1.00 12.23 H new ATOM 0 HG22 VAL A 89 23.796 1.275 44.459 1.00 12.23 H new ATOM 0 HG23 VAL A 89 23.031 2.483 43.779 1.00 12.23 H new ATOM 624 N GLY A 90 27.328 3.682 46.158 1.00 12.36 N ATOM 625 CA GLY A 90 28.684 4.205 46.328 1.00 11.50 C ATOM 626 C GLY A 90 29.659 3.256 45.633 1.00 13.35 C ATOM 627 O GLY A 90 29.406 2.055 45.563 1.00 14.43 O ATOM 0 H GLY A 90 27.140 3.016 46.668 1.00 12.36 H new ATOM 0 HA2 GLY A 90 28.752 5.095 45.949 1.00 11.50 H new ATOM 0 HA3 GLY A 90 28.901 4.280 47.270 1.00 11.50 H new ATOM 628 N ALA A 91 30.763 3.773 45.102 1.00 15.79 N ATOM 629 CA ALA A 91 31.728 2.931 44.406 1.00 15.30 C ATOM 630 C ALA A 91 33.008 3.684 44.109 1.00 17.69 C ATOM 631 O ALA A 91 33.042 4.907 44.170 1.00 19.40 O ATOM 632 CB ALA A 91 31.130 2.419 43.093 1.00 16.13 C ATOM 0 H ALA A 91 30.971 4.607 45.134 1.00 15.79 H new ATOM 0 HA ALA A 91 31.937 2.184 44.988 1.00 15.30 H new ATOM 0 HB1 ALA A 91 31.779 1.860 42.638 1.00 16.13 H new ATOM 0 HB2 ALA A 91 30.333 1.900 43.281 1.00 16.13 H new ATOM 0 HB3 ALA A 91 30.899 3.172 42.527 1.00 16.13 H new ATOM 633 N GLY A 92 34.063 2.937 43.793 1.00 17.60 N ATOM 634 CA GLY A 92 35.331 3.549 43.461 1.00 18.47 C ATOM 635 C GLY A 92 36.148 3.998 44.648 1.00 19.98 C ATOM 636 O GLY A 92 35.681 3.970 45.788 1.00 20.20 O ATOM 0 H GLY A 92 34.059 2.077 43.767 1.00 17.60 H new ATOM 0 HA2 GLY A 92 35.855 2.917 42.944 1.00 18.47 H new ATOM 0 HA3 GLY A 92 35.166 4.315 42.890 1.00 18.47 H new ATOM 637 N PRO A 93 37.389 4.427 44.405 1.00 20.13 N ATOM 638 CA PRO A 93 38.276 4.882 45.472 1.00 19.60 C ATOM 639 C PRO A 93 37.908 6.282 45.924 1.00 19.82 C ATOM 640 O PRO A 93 37.099 6.969 45.282 1.00 18.97 O ATOM 641 CB PRO A 93 39.634 4.857 44.796 1.00 21.41 C ATOM 642 CG PRO A 93 39.297 5.372 43.437 1.00 20.71 C ATOM 643 CD PRO A 93 38.037 4.584 43.088 1.00 20.60 C ATOM 0 HA PRO A 93 38.235 4.338 46.274 1.00 19.60 H new ATOM 0 HB2 PRO A 93 40.279 5.421 45.251 1.00 21.41 H new ATOM 0 HB3 PRO A 93 40.010 3.964 44.765 1.00 21.41 H new ATOM 0 HG2 PRO A 93 39.135 6.328 43.443 1.00 20.71 H new ATOM 0 HG3 PRO A 93 40.012 5.210 42.802 1.00 20.71 H new ATOM 0 HD2 PRO A 93 37.472 5.063 42.462 1.00 20.60 H new ATOM 0 HD3 PRO A 93 38.246 3.728 42.683 1.00 20.60 H new ATOM 644 N ARG A 94 38.501 6.701 47.036 1.00 17.06 N ATOM 645 CA ARG A 94 38.273 8.042 47.550 1.00 17.84 C ATOM 646 C ARG A 94 38.905 9.000 46.550 1.00 18.22 C ATOM 647 O ARG A 94 39.938 8.702 45.963 1.00 17.73 O ATOM 648 CB ARG A 94 38.954 8.240 48.914 1.00 17.62 C ATOM 649 CG ARG A 94 38.396 7.384 50.043 1.00 18.67 C ATOM 650 CD ARG A 94 39.000 7.821 51.376 1.00 21.13 C ATOM 651 NE ARG A 94 38.478 9.126 51.785 1.00 17.75 N ATOM 652 CZ ARG A 94 37.573 9.298 52.736 1.00 17.12 C ATOM 653 NH1 ARG A 94 37.088 8.250 53.392 1.00 17.23 N ATOM 654 NH2 ARG A 94 37.142 10.521 53.029 1.00 19.95 N ATOM 0 H ARG A 94 39.039 6.223 47.507 1.00 17.06 H new ATOM 0 HA ARG A 94 37.322 8.196 47.665 1.00 17.84 H new ATOM 0 HB2 ARG A 94 39.900 8.049 48.819 1.00 17.62 H new ATOM 0 HB3 ARG A 94 38.877 9.174 49.166 1.00 17.62 H new ATOM 0 HG2 ARG A 94 37.430 7.466 50.074 1.00 18.67 H new ATOM 0 HG3 ARG A 94 38.596 6.449 49.880 1.00 18.67 H new ATOM 0 HD2 ARG A 94 38.800 7.161 52.058 1.00 21.13 H new ATOM 0 HD3 ARG A 94 39.966 7.865 51.298 1.00 21.13 H new ATOM 0 HE ARG A 94 38.778 9.824 51.383 1.00 17.75 H new ATOM 0 HH11 ARG A 94 37.362 7.458 53.199 1.00 17.23 H new ATOM 0 HH12 ARG A 94 36.500 8.364 54.009 1.00 17.23 H new ATOM 0 HH21 ARG A 94 37.451 11.200 52.601 1.00 19.95 H new ATOM 0 HH22 ARG A 94 36.554 10.633 53.647 1.00 19.95 H new ATOM 655 N LEU A 95 38.286 10.151 46.351 1.00 19.43 N ATOM 656 CA LEU A 95 38.846 11.129 45.424 1.00 21.83 C ATOM 657 C LEU A 95 39.225 12.406 46.169 1.00 21.61 C ATOM 658 O LEU A 95 39.722 13.350 45.562 1.00 24.25 O ATOM 659 CB LEU A 95 37.831 11.452 44.317 1.00 22.94 C ATOM 660 CG LEU A 95 37.318 10.243 43.517 1.00 24.49 C ATOM 661 CD1 LEU A 95 36.426 10.731 42.362 1.00 25.84 C ATOM 662 CD2 LEU A 95 38.510 9.439 42.985 1.00 22.77 C ATOM 0 H LEU A 95 37.553 10.387 46.734 1.00 19.43 H new ATOM 0 HA LEU A 95 39.643 10.752 45.021 1.00 21.83 H new ATOM 0 HB2 LEU A 95 37.070 11.901 44.718 1.00 22.94 H new ATOM 0 HB3 LEU A 95 38.238 12.080 43.700 1.00 22.94 H new ATOM 0 HG LEU A 95 36.789 9.667 44.091 1.00 24.49 H new ATOM 0 HD11 LEU A 95 36.103 9.968 41.858 1.00 25.84 H new ATOM 0 HD12 LEU A 95 35.672 11.224 42.721 1.00 25.84 H new ATOM 0 HD13 LEU A 95 36.941 11.310 41.778 1.00 25.84 H new ATOM 0 HD21 LEU A 95 38.187 8.676 42.480 1.00 22.77 H new ATOM 0 HD22 LEU A 95 39.049 10.003 42.408 1.00 22.77 H new ATOM 0 HD23 LEU A 95 39.049 9.129 43.729 1.00 22.77 H new ATOM 663 N ASP A 96 39.001 12.432 47.483 1.00 21.66 N ATOM 664 CA ASP A 96 39.304 13.624 48.272 1.00 22.37 C ATOM 665 C ASP A 96 40.707 13.614 48.846 1.00 23.10 C ATOM 666 O ASP A 96 40.898 13.919 50.014 1.00 22.98 O ATOM 667 CB ASP A 96 38.284 13.799 49.410 1.00 21.29 C ATOM 668 CG ASP A 96 38.301 12.649 50.413 1.00 18.48 C ATOM 669 OD1 ASP A 96 38.904 11.599 50.119 1.00 19.67 O ATOM 670 OD2 ASP A 96 37.682 12.798 51.492 1.00 19.08 O ATOM 0 H ASP A 96 38.677 11.775 47.933 1.00 21.66 H new ATOM 0 HA ASP A 96 39.246 14.374 47.660 1.00 22.37 H new ATOM 0 HB2 ASP A 96 38.467 14.630 49.876 1.00 21.29 H new ATOM 0 HB3 ASP A 96 37.395 13.877 49.031 1.00 21.29 H new ATOM 671 N ASP A 97 41.680 13.273 48.008 1.00 24.46 N ATOM 672 CA ASP A 97 43.072 13.216 48.426 1.00 26.42 C ATOM 673 C ASP A 97 43.876 14.404 47.903 1.00 27.92 C ATOM 674 O ASP A 97 45.102 14.410 47.987 1.00 27.98 O ATOM 675 CB ASP A 97 43.709 11.921 47.929 1.00 26.56 C ATOM 676 CG ASP A 97 43.627 11.775 46.424 1.00 26.30 C ATOM 677 OD1 ASP A 97 43.029 12.652 45.751 1.00 27.13 O ATOM 678 OD2 ASP A 97 44.155 10.777 45.909 1.00 27.14 O ATOM 0 H ASP A 97 41.550 13.069 47.183 1.00 24.46 H new ATOM 0 HA ASP A 97 43.085 13.248 49.395 1.00 26.42 H new ATOM 0 HB2 ASP A 97 44.639 11.895 48.203 1.00 26.56 H new ATOM 0 HB3 ASP A 97 43.269 11.166 48.349 1.00 26.56 H new ATOM 679 N GLY A 98 43.185 15.400 47.359 1.00 28.54 N ATOM 680 CA GLY A 98 43.868 16.566 46.836 1.00 29.74 C ATOM 681 C GLY A 98 44.580 16.367 45.503 1.00 30.97 C ATOM 682 O GLY A 98 45.330 17.235 45.071 1.00 30.53 O ATOM 0 H GLY A 98 42.328 15.417 47.285 1.00 28.54 H new ATOM 0 HA2 GLY A 98 43.222 17.282 46.736 1.00 29.74 H new ATOM 0 HA3 GLY A 98 44.519 16.861 47.492 1.00 29.74 H new ATOM 683 N ARG A 99 44.366 15.233 44.847 1.00 31.52 N ATOM 684 CA ARG A 99 45.004 15.000 43.553 1.00 33.14 C ATOM 685 C ARG A 99 43.974 15.070 42.431 1.00 32.14 C ATOM 686 O ARG A 99 42.803 14.783 42.642 1.00 31.68 O ATOM 687 CB ARG A 99 45.690 13.629 43.521 1.00 35.01 C ATOM 688 CG ARG A 99 46.893 13.493 44.452 1.00 38.42 C ATOM 689 CD ARG A 99 47.706 12.230 44.153 1.00 43.55 C ATOM 690 NE ARG A 99 46.970 10.995 44.435 1.00 48.41 N ATOM 691 CZ ARG A 99 46.049 10.454 43.640 1.00 49.75 C ATOM 692 NH1 ARG A 99 45.736 11.031 42.486 1.00 52.20 N ATOM 693 NH2 ARG A 99 45.425 9.339 44.004 1.00 50.90 N ATOM 0 H ARG A 99 43.863 14.593 45.126 1.00 31.52 H new ATOM 0 HA ARG A 99 45.672 15.692 43.424 1.00 33.14 H new ATOM 0 HB2 ARG A 99 45.038 12.950 43.754 1.00 35.01 H new ATOM 0 HB3 ARG A 99 45.978 13.446 42.613 1.00 35.01 H new ATOM 0 HG2 ARG A 99 47.462 14.273 44.360 1.00 38.42 H new ATOM 0 HG3 ARG A 99 46.588 13.471 45.373 1.00 38.42 H new ATOM 0 HD2 ARG A 99 47.972 12.236 43.220 1.00 43.55 H new ATOM 0 HD3 ARG A 99 48.520 12.243 44.680 1.00 43.55 H new ATOM 0 HE ARG A 99 47.147 10.588 45.172 1.00 48.41 H new ATOM 0 HH11 ARG A 99 46.129 11.758 42.248 1.00 52.20 H new ATOM 0 HH12 ARG A 99 45.140 10.678 41.976 1.00 52.20 H new ATOM 0 HH21 ARG A 99 45.616 8.965 44.755 1.00 50.90 H new ATOM 0 HH22 ARG A 99 44.830 8.991 43.489 1.00 50.90 H new ATOM 694 N TRP A 100 44.412 15.471 41.244 1.00 31.44 N ATOM 695 CA TRP A 100 43.519 15.546 40.096 1.00 29.68 C ATOM 696 C TRP A 100 43.071 14.138 39.719 1.00 28.18 C ATOM 697 O TRP A 100 43.873 13.203 39.708 1.00 26.68 O ATOM 698 CB TRP A 100 44.230 16.185 38.897 1.00 31.67 C ATOM 699 CG TRP A 100 44.287 17.684 38.955 1.00 32.69 C ATOM 700 CD1 TRP A 100 45.403 18.463 39.103 1.00 33.34 C ATOM 701 CD2 TRP A 100 43.174 18.584 38.893 1.00 32.28 C ATOM 702 NE1 TRP A 100 45.050 19.790 39.139 1.00 32.54 N ATOM 703 CE2 TRP A 100 43.689 19.894 39.014 1.00 33.19 C ATOM 704 CE3 TRP A 100 41.789 18.408 38.748 1.00 31.28 C ATOM 705 CZ2 TRP A 100 42.865 21.030 38.996 1.00 32.14 C ATOM 706 CZ3 TRP A 100 40.969 19.532 38.730 1.00 32.14 C ATOM 707 CH2 TRP A 100 41.513 20.830 38.855 1.00 34.08 C ATOM 0 H TRP A 100 45.224 15.704 41.082 1.00 31.44 H new ATOM 0 HA TRP A 100 42.753 16.092 40.332 1.00 29.68 H new ATOM 0 HB2 TRP A 100 45.134 15.837 38.845 1.00 31.67 H new ATOM 0 HB3 TRP A 100 43.776 15.918 38.082 1.00 31.67 H new ATOM 0 HD1 TRP A 100 46.273 18.141 39.169 1.00 33.34 H new ATOM 0 HE1 TRP A 100 45.595 20.449 39.226 1.00 32.54 H new ATOM 0 HE3 TRP A 100 41.426 17.556 38.665 1.00 31.28 H new ATOM 0 HZ2 TRP A 100 43.221 21.886 39.076 1.00 32.14 H new ATOM 0 HZ3 TRP A 100 40.050 19.427 38.634 1.00 32.14 H new ATOM 0 HH2 TRP A 100 40.943 21.565 38.842 1.00 34.08 H new ATOM 708 N HIS A 101 41.788 13.986 39.411 1.00 24.40 N ATOM 709 CA HIS A 101 41.269 12.686 39.027 1.00 22.60 C ATOM 710 C HIS A 101 40.432 12.801 37.762 1.00 21.89 C ATOM 711 O HIS A 101 39.622 13.719 37.633 1.00 23.22 O ATOM 712 CB HIS A 101 40.404 12.106 40.155 1.00 20.76 C ATOM 713 CG HIS A 101 41.170 11.744 41.389 1.00 21.09 C ATOM 714 ND1 HIS A 101 41.946 10.607 41.478 1.00 22.58 N ATOM 715 CD2 HIS A 101 41.261 12.358 42.593 1.00 19.36 C ATOM 716 CE1 HIS A 101 42.478 10.533 42.684 1.00 19.83 C ATOM 717 NE2 HIS A 101 42.079 11.583 43.381 1.00 22.45 N ATOM 0 H HIS A 101 41.207 14.620 39.419 1.00 24.40 H new ATOM 0 HA HIS A 101 42.021 12.096 38.860 1.00 22.60 H new ATOM 0 HB2 HIS A 101 39.719 12.752 40.389 1.00 20.76 H new ATOM 0 HB3 HIS A 101 39.948 11.316 39.826 1.00 20.76 H new ATOM 0 HD1 HIS A 101 42.065 10.036 40.846 1.00 22.58 H new ATOM 0 HD2 HIS A 101 40.848 13.154 42.840 1.00 19.36 H new ATOM 0 HE1 HIS A 101 43.038 9.857 42.991 1.00 19.83 H new ATOM 718 N GLN A 102 40.634 11.881 36.823 1.00 22.51 N ATOM 719 CA GLN A 102 39.840 11.883 35.602 1.00 23.25 C ATOM 720 C GLN A 102 38.548 11.132 35.928 1.00 23.61 C ATOM 721 O GLN A 102 38.588 10.067 36.550 1.00 22.57 O ATOM 722 CB GLN A 102 40.556 11.154 34.451 1.00 27.53 C ATOM 723 CG GLN A 102 39.679 11.031 33.188 1.00 34.76 C ATOM 724 CD GLN A 102 40.234 10.080 32.122 1.00 40.63 C ATOM 725 OE1 GLN A 102 40.482 8.898 32.383 1.00 45.44 O ATOM 726 NE2 GLN A 102 40.419 10.596 30.910 1.00 42.36 N ATOM 0 H GLN A 102 41.220 11.254 36.873 1.00 22.51 H new ATOM 0 HA GLN A 102 39.683 12.796 35.315 1.00 23.25 H new ATOM 0 HB2 GLN A 102 41.371 11.630 34.229 1.00 27.53 H new ATOM 0 HB3 GLN A 102 40.817 10.268 34.747 1.00 27.53 H new ATOM 0 HG2 GLN A 102 38.796 10.726 33.449 1.00 34.76 H new ATOM 0 HG3 GLN A 102 39.571 11.911 32.796 1.00 34.76 H new ATOM 0 HE21 GLN A 102 40.236 11.423 30.762 1.00 42.36 H new ATOM 0 HE22 GLN A 102 40.722 10.102 30.274 1.00 42.36 H new ATOM 727 N VAL A 103 37.408 11.690 35.525 1.00 21.42 N ATOM 728 CA VAL A 103 36.118 11.046 35.768 1.00 20.03 C ATOM 729 C VAL A 103 35.319 11.044 34.476 1.00 21.75 C ATOM 730 O VAL A 103 35.273 12.052 33.749 1.00 23.36 O ATOM 731 CB VAL A 103 35.291 11.781 36.859 1.00 20.55 C ATOM 732 CG1 VAL A 103 33.907 11.097 37.029 1.00 18.74 C ATOM 733 CG2 VAL A 103 36.046 11.785 38.175 1.00 18.19 C ATOM 0 H VAL A 103 37.360 12.441 35.109 1.00 21.42 H new ATOM 0 HA VAL A 103 36.292 10.144 36.079 1.00 20.03 H new ATOM 0 HB VAL A 103 35.151 12.700 36.582 1.00 20.55 H new ATOM 0 HG11 VAL A 103 33.398 11.562 37.711 1.00 18.74 H new ATOM 0 HG12 VAL A 103 33.425 11.129 36.188 1.00 18.74 H new ATOM 0 HG13 VAL A 103 34.033 10.172 37.294 1.00 18.74 H new ATOM 0 HG21 VAL A 103 35.521 12.246 38.848 1.00 18.19 H new ATOM 0 HG22 VAL A 103 36.206 10.871 38.460 1.00 18.19 H new ATOM 0 HG23 VAL A 103 36.895 12.240 38.060 1.00 18.19 H new ATOM 734 N GLU A 104 34.699 9.908 34.173 1.00 20.84 N ATOM 735 CA GLU A 104 33.894 9.810 32.971 1.00 19.72 C ATOM 736 C GLU A 104 32.590 9.069 33.243 1.00 18.93 C ATOM 737 O GLU A 104 32.568 8.019 33.898 1.00 18.62 O ATOM 738 CB GLU A 104 34.697 9.125 31.855 1.00 21.33 C ATOM 739 CG GLU A 104 33.904 8.887 30.586 1.00 31.57 C ATOM 740 CD GLU A 104 34.784 8.544 29.390 1.00 36.18 C ATOM 741 OE1 GLU A 104 35.708 7.709 29.535 1.00 39.01 O ATOM 742 OE2 GLU A 104 34.541 9.106 28.303 1.00 37.84 O ATOM 0 H GLU A 104 34.733 9.191 34.647 1.00 20.84 H new ATOM 0 HA GLU A 104 33.663 10.706 32.680 1.00 19.72 H new ATOM 0 HB2 GLU A 104 35.471 9.670 31.645 1.00 21.33 H new ATOM 0 HB3 GLU A 104 35.029 8.275 32.183 1.00 21.33 H new ATOM 0 HG2 GLU A 104 33.274 8.165 30.735 1.00 31.57 H new ATOM 0 HG3 GLU A 104 33.384 9.680 30.382 1.00 31.57 H new ATOM 743 N VAL A 105 31.490 9.651 32.781 1.00 17.81 N ATOM 744 CA VAL A 105 30.180 9.046 32.944 1.00 17.43 C ATOM 745 C VAL A 105 29.562 8.913 31.568 1.00 19.36 C ATOM 746 O VAL A 105 29.525 9.884 30.797 1.00 18.68 O ATOM 747 CB VAL A 105 29.224 9.914 33.798 1.00 18.14 C ATOM 748 CG1 VAL A 105 27.874 9.204 33.925 1.00 18.22 C ATOM 749 CG2 VAL A 105 29.818 10.170 35.187 1.00 16.17 C ATOM 0 H VAL A 105 31.484 10.404 32.366 1.00 17.81 H new ATOM 0 HA VAL A 105 30.298 8.194 33.393 1.00 17.43 H new ATOM 0 HB VAL A 105 29.101 10.771 33.360 1.00 18.14 H new ATOM 0 HG11 VAL A 105 27.272 9.745 34.460 1.00 18.22 H new ATOM 0 HG12 VAL A 105 27.493 9.073 33.043 1.00 18.22 H new ATOM 0 HG13 VAL A 105 28.000 8.343 34.353 1.00 18.22 H new ATOM 0 HG21 VAL A 105 29.205 10.714 35.706 1.00 16.17 H new ATOM 0 HG22 VAL A 105 29.960 9.324 35.639 1.00 16.17 H new ATOM 0 HG23 VAL A 105 30.665 10.634 35.096 1.00 16.17 H new ATOM 750 N LYS A 106 29.080 7.719 31.244 1.00 18.45 N ATOM 751 CA LYS A 106 28.454 7.539 29.955 1.00 20.87 C ATOM 752 C LYS A 106 27.425 6.433 29.925 1.00 21.14 C ATOM 753 O LYS A 106 27.331 5.611 30.845 1.00 19.04 O ATOM 754 CB LYS A 106 29.508 7.286 28.881 1.00 22.70 C ATOM 755 CG LYS A 106 30.292 6.006 29.058 1.00 27.79 C ATOM 756 CD LYS A 106 31.389 5.922 28.002 1.00 32.56 C ATOM 757 CE LYS A 106 32.196 4.647 28.147 1.00 36.69 C ATOM 758 NZ LYS A 106 33.321 4.616 27.161 1.00 41.40 N ATOM 0 H LYS A 106 29.106 7.021 31.745 1.00 18.45 H new ATOM 0 HA LYS A 106 27.980 8.366 29.774 1.00 20.87 H new ATOM 0 HB2 LYS A 106 29.072 7.267 28.015 1.00 22.70 H new ATOM 0 HB3 LYS A 106 30.128 8.032 28.871 1.00 22.70 H new ATOM 0 HG2 LYS A 106 30.683 5.976 29.945 1.00 27.79 H new ATOM 0 HG3 LYS A 106 29.700 5.241 28.983 1.00 27.79 H new ATOM 0 HD2 LYS A 106 30.993 5.958 27.117 1.00 32.56 H new ATOM 0 HD3 LYS A 106 31.976 6.690 28.081 1.00 32.56 H new ATOM 0 HE2 LYS A 106 32.548 4.583 29.048 1.00 36.69 H new ATOM 0 HE3 LYS A 106 31.621 3.878 28.012 1.00 36.69 H new ATOM 0 HZ1 LYS A 106 33.783 3.862 27.261 1.00 41.40 H new ATOM 0 HZ2 LYS A 106 32.993 4.655 26.335 1.00 41.40 H new ATOM 0 HZ3 LYS A 106 33.857 5.312 27.300 1.00 41.40 H new ATOM 759 N MET A 107 26.650 6.439 28.847 1.00 20.55 N ATOM 760 CA MET A 107 25.623 5.447 28.609 1.00 22.89 C ATOM 761 C MET A 107 26.229 4.333 27.769 1.00 24.52 C ATOM 762 O MET A 107 27.025 4.586 26.871 1.00 25.64 O ATOM 763 CB MET A 107 24.473 6.064 27.821 1.00 27.28 C ATOM 764 CG MET A 107 23.637 7.041 28.604 1.00 31.36 C ATOM 765 SD MET A 107 22.798 6.146 29.893 1.00 37.60 S ATOM 766 CE MET A 107 21.415 5.457 28.939 1.00 35.94 C ATOM 0 H MET A 107 26.711 7.031 28.226 1.00 20.55 H new ATOM 0 HA MET A 107 25.292 5.112 29.457 1.00 22.89 H new ATOM 0 HB2 MET A 107 24.834 6.516 27.042 1.00 27.28 H new ATOM 0 HB3 MET A 107 23.900 5.352 27.496 1.00 27.28 H new ATOM 0 HG2 MET A 107 24.196 7.736 28.984 1.00 31.36 H new ATOM 0 HG3 MET A 107 22.995 7.479 28.023 1.00 31.36 H new ATOM 0 HE1 MET A 107 20.590 5.892 29.205 1.00 35.94 H new ATOM 0 HE2 MET A 107 21.568 5.606 27.993 1.00 35.94 H new ATOM 0 HE3 MET A 107 21.347 4.504 29.109 1.00 35.94 H new ATOM 767 N GLU A 108 25.852 3.098 28.063 1.00 22.00 N ATOM 768 CA GLU A 108 26.325 1.955 27.292 1.00 23.39 C ATOM 769 C GLU A 108 25.073 1.085 27.265 1.00 22.06 C ATOM 770 O GLU A 108 24.784 0.354 28.214 1.00 21.56 O ATOM 771 CB GLU A 108 27.494 1.274 28.026 1.00 26.10 C ATOM 772 CG GLU A 108 28.171 0.127 27.292 1.00 32.05 C ATOM 773 CD GLU A 108 28.663 0.510 25.907 1.00 35.47 C ATOM 774 OE1 GLU A 108 29.342 1.550 25.778 1.00 40.08 O ATOM 775 OE2 GLU A 108 28.374 -0.232 24.948 1.00 38.00 O ATOM 0 H GLU A 108 25.320 2.898 28.708 1.00 22.00 H new ATOM 0 HA GLU A 108 26.670 2.160 26.409 1.00 23.39 H new ATOM 0 HB2 GLU A 108 28.164 1.947 28.223 1.00 26.10 H new ATOM 0 HB3 GLU A 108 27.167 0.941 28.877 1.00 26.10 H new ATOM 0 HG2 GLU A 108 28.921 -0.189 27.819 1.00 32.05 H new ATOM 0 HG3 GLU A 108 27.548 -0.612 27.214 1.00 32.05 H new ATOM 776 N GLY A 109 24.301 1.206 26.195 1.00 19.66 N ATOM 777 CA GLY A 109 23.063 0.454 26.119 1.00 19.51 C ATOM 778 C GLY A 109 22.126 0.969 27.203 1.00 19.68 C ATOM 779 O GLY A 109 21.939 2.173 27.327 1.00 17.49 O ATOM 0 H GLY A 109 24.471 1.707 25.517 1.00 19.66 H new ATOM 0 HA2 GLY A 109 22.657 0.558 25.244 1.00 19.51 H new ATOM 0 HA3 GLY A 109 23.234 -0.493 26.242 1.00 19.51 H new ATOM 780 N ASP A 110 21.545 0.078 27.999 1.00 17.23 N ATOM 781 CA ASP A 110 20.651 0.519 29.062 1.00 18.40 C ATOM 782 C ASP A 110 21.389 0.791 30.379 1.00 17.55 C ATOM 783 O ASP A 110 20.756 0.942 31.431 1.00 19.38 O ATOM 784 CB ASP A 110 19.554 -0.518 29.296 1.00 20.46 C ATOM 785 CG ASP A 110 20.081 -1.835 29.872 1.00 22.92 C ATOM 786 OD1 ASP A 110 19.299 -2.805 29.852 1.00 24.03 O ATOM 787 OD2 ASP A 110 21.240 -1.906 30.361 1.00 23.25 O ATOM 0 H ASP A 110 21.653 -0.773 27.942 1.00 17.23 H new ATOM 0 HA ASP A 110 20.259 1.356 28.768 1.00 18.40 H new ATOM 0 HB2 ASP A 110 18.892 -0.149 29.902 1.00 20.46 H new ATOM 0 HB3 ASP A 110 19.102 -0.697 28.457 1.00 20.46 H new ATOM 788 N SER A 111 22.716 0.874 30.313 1.00 15.52 N ATOM 789 CA SER A 111 23.536 1.090 31.505 1.00 16.20 C ATOM 790 C SER A 111 24.240 2.446 31.604 1.00 14.74 C ATOM 791 O SER A 111 24.537 3.088 30.601 1.00 15.76 O ATOM 792 CB SER A 111 24.623 0.000 31.610 1.00 15.83 C ATOM 793 OG SER A 111 24.078 -1.304 31.565 1.00 21.11 O ATOM 0 H SER A 111 23.164 0.807 29.582 1.00 15.52 H new ATOM 0 HA SER A 111 22.893 1.056 32.231 1.00 16.20 H new ATOM 0 HB2 SER A 111 25.258 0.108 30.885 1.00 15.83 H new ATOM 0 HB3 SER A 111 25.115 0.115 32.438 1.00 15.83 H new ATOM 0 HG SER A 111 24.082 -1.582 30.772 1.00 21.11 H new ATOM 794 N VAL A 112 24.523 2.851 32.838 1.00 14.01 N ATOM 795 CA VAL A 112 25.264 4.074 33.115 1.00 13.89 C ATOM 796 C VAL A 112 26.601 3.579 33.679 1.00 17.48 C ATOM 797 O VAL A 112 26.639 2.854 34.685 1.00 17.66 O ATOM 798 CB VAL A 112 24.544 4.970 34.158 1.00 14.68 C ATOM 799 CG1 VAL A 112 25.464 6.114 34.591 1.00 14.96 C ATOM 800 CG2 VAL A 112 23.258 5.556 33.553 1.00 14.57 C ATOM 0 H VAL A 112 24.288 2.419 33.543 1.00 14.01 H new ATOM 0 HA VAL A 112 25.358 4.622 32.320 1.00 13.89 H new ATOM 0 HB VAL A 112 24.319 4.427 34.929 1.00 14.68 H new ATOM 0 HG11 VAL A 112 25.007 6.669 35.242 1.00 14.96 H new ATOM 0 HG12 VAL A 112 26.270 5.749 34.987 1.00 14.96 H new ATOM 0 HG13 VAL A 112 25.699 6.651 33.818 1.00 14.96 H new ATOM 0 HG21 VAL A 112 22.815 6.114 34.212 1.00 14.57 H new ATOM 0 HG22 VAL A 112 23.481 6.090 32.774 1.00 14.57 H new ATOM 0 HG23 VAL A 112 22.665 4.834 33.291 1.00 14.57 H new ATOM 801 N LEU A 113 27.690 3.954 33.012 1.00 17.00 N ATOM 802 CA LEU A 113 29.042 3.561 33.398 1.00 19.58 C ATOM 803 C LEU A 113 29.813 4.696 34.054 1.00 17.77 C ATOM 804 O LEU A 113 29.736 5.843 33.620 1.00 18.23 O ATOM 805 CB LEU A 113 29.845 3.115 32.170 1.00 21.67 C ATOM 806 CG LEU A 113 29.677 1.714 31.591 1.00 27.08 C ATOM 807 CD1 LEU A 113 28.215 1.435 31.282 1.00 27.16 C ATOM 808 CD2 LEU A 113 30.546 1.608 30.332 1.00 27.94 C ATOM 0 H LEU A 113 27.663 4.452 32.311 1.00 17.00 H new ATOM 0 HA LEU A 113 28.937 2.835 34.033 1.00 19.58 H new ATOM 0 HB2 LEU A 113 29.648 3.743 31.458 1.00 21.67 H new ATOM 0 HB3 LEU A 113 30.784 3.221 32.390 1.00 21.67 H new ATOM 0 HG LEU A 113 29.962 1.048 32.236 1.00 27.08 H new ATOM 0 HD11 LEU A 113 28.126 0.541 30.915 1.00 27.16 H new ATOM 0 HD12 LEU A 113 27.693 1.503 32.097 1.00 27.16 H new ATOM 0 HD13 LEU A 113 27.891 2.083 30.636 1.00 27.16 H new ATOM 0 HD21 LEU A 113 30.453 0.722 29.948 1.00 27.94 H new ATOM 0 HD22 LEU A 113 30.261 2.272 29.685 1.00 27.94 H new ATOM 0 HD23 LEU A 113 31.475 1.763 30.566 1.00 27.94 H new ATOM 809 N LEU A 114 30.569 4.367 35.091 1.00 16.31 N ATOM 810 CA LEU A 114 31.377 5.361 35.772 1.00 14.41 C ATOM 811 C LEU A 114 32.810 4.899 35.748 1.00 15.60 C ATOM 812 O LEU A 114 33.134 3.800 36.230 1.00 13.65 O ATOM 813 CB LEU A 114 30.938 5.543 37.224 1.00 12.37 C ATOM 814 CG LEU A 114 31.873 6.420 38.062 1.00 13.41 C ATOM 815 CD1 LEU A 114 31.807 7.877 37.573 1.00 14.02 C ATOM 816 CD2 LEU A 114 31.466 6.352 39.524 1.00 14.31 C ATOM 0 H LEU A 114 30.627 3.573 35.415 1.00 16.31 H new ATOM 0 HA LEU A 114 31.272 6.212 35.319 1.00 14.41 H new ATOM 0 HB2 LEU A 114 30.050 5.933 37.236 1.00 12.37 H new ATOM 0 HB3 LEU A 114 30.870 4.670 37.642 1.00 12.37 H new ATOM 0 HG LEU A 114 32.782 6.095 37.966 1.00 13.41 H new ATOM 0 HD11 LEU A 114 32.401 8.425 38.108 1.00 14.02 H new ATOM 0 HD12 LEU A 114 32.079 7.919 36.643 1.00 14.02 H new ATOM 0 HD13 LEU A 114 30.899 8.207 37.659 1.00 14.02 H new ATOM 0 HD21 LEU A 114 32.060 6.908 40.052 1.00 14.31 H new ATOM 0 HD22 LEU A 114 30.555 6.670 39.622 1.00 14.31 H new ATOM 0 HD23 LEU A 114 31.523 5.435 39.834 1.00 14.31 H new ATOM 817 N AGLU A 115 33.678 5.731 35.181 0.50 15.77 N ATOM 818 N BGLU A 115 33.671 5.741 35.189 0.50 15.32 N ATOM 819 CA AGLU A 115 35.095 5.414 35.104 0.50 17.09 C ATOM 820 CA BGLU A 115 35.093 5.452 35.090 0.50 16.39 C ATOM 821 C AGLU A 115 35.881 6.467 35.877 0.50 17.24 C ATOM 822 C BGLU A 115 35.880 6.483 35.888 0.50 16.75 C ATOM 823 O AGLU A 115 35.593 7.661 35.786 0.50 18.59 O ATOM 824 O BGLU A 115 35.593 7.680 35.824 0.50 17.96 O ATOM 825 CB AGLU A 115 35.553 5.372 33.639 0.50 19.13 C ATOM 826 CB BGLU A 115 35.524 5.481 33.619 0.50 17.73 C ATOM 827 CG AGLU A 115 34.795 4.371 32.776 0.50 20.55 C ATOM 828 CG BGLU A 115 37.025 5.619 33.392 0.50 18.80 C ATOM 829 CD AGLU A 115 35.264 4.358 31.331 0.50 22.64 C ATOM 830 CD BGLU A 115 37.361 5.884 31.927 0.50 19.04 C ATOM 831 OE1AGLU A 115 35.371 5.446 30.729 0.50 21.96 O ATOM 832 OE1BGLU A 115 37.212 4.958 31.104 0.50 19.16 O ATOM 833 OE2AGLU A 115 35.517 3.259 30.794 0.50 24.88 O ATOM 834 OE2BGLU A 115 37.762 7.024 31.600 0.50 17.63 O ATOM 0 H AGLU A 115 33.463 6.488 34.834 0.50 15.32 H new ATOM 0 H BGLU A 115 33.444 6.500 34.855 0.50 15.32 H new ATOM 0 HA AGLU A 115 35.254 4.540 35.495 0.50 16.39 H new ATOM 0 HA BGLU A 115 35.270 4.570 35.452 0.50 16.39 H new ATOM 0 HB2AGLU A 115 35.453 6.257 33.254 0.50 17.73 H new ATOM 0 HB2BGLU A 115 35.219 4.666 33.190 0.50 17.73 H new ATOM 0 HB3AGLU A 115 36.498 5.156 33.612 0.50 17.73 H new ATOM 0 HB3BGLU A 115 35.074 6.219 33.178 0.50 17.73 H new ATOM 0 HG2AGLU A 115 34.899 3.483 33.152 0.50 18.80 H new ATOM 0 HG2BGLU A 115 37.368 6.344 33.938 0.50 18.80 H new ATOM 0 HG3AGLU A 115 33.848 4.581 32.802 0.50 18.80 H new ATOM 0 HG3BGLU A 115 37.471 4.808 33.684 0.50 18.80 H new ATOM 835 N VAL A 116 36.859 6.013 36.656 1.00 17.11 N ATOM 836 CA VAL A 116 37.698 6.898 37.452 1.00 17.12 C ATOM 837 C VAL A 116 39.153 6.585 37.138 1.00 19.43 C ATOM 838 O VAL A 116 39.596 5.424 37.221 1.00 17.67 O ATOM 839 CB VAL A 116 37.447 6.730 38.965 1.00 17.31 C ATOM 840 CG1 VAL A 116 38.446 7.580 39.762 1.00 19.48 C ATOM 841 CG2 VAL A 116 36.006 7.164 39.303 1.00 17.38 C ATOM 0 H AVAL A 116 37.054 5.179 36.737 0.50 17.11 H new ATOM 0 H BVAL A 116 37.053 5.178 36.729 0.50 17.11 H new ATOM 0 HA VAL A 116 37.481 7.816 37.225 1.00 17.12 H new ATOM 0 HB VAL A 116 37.566 5.798 39.204 1.00 17.31 H new ATOM 0 HG11 VAL A 116 38.281 7.468 40.711 1.00 19.48 H new ATOM 0 HG12 VAL A 116 39.350 7.295 39.556 1.00 19.48 H new ATOM 0 HG13 VAL A 116 38.339 8.514 39.523 1.00 19.48 H new ATOM 0 HG21 VAL A 116 35.851 7.058 40.255 1.00 17.38 H new ATOM 0 HG22 VAL A 116 35.882 8.094 39.058 1.00 17.38 H new ATOM 0 HG23 VAL A 116 35.378 6.614 38.810 1.00 17.38 H new ATOM 842 N ASP A 117 39.884 7.627 36.759 1.00 18.68 N ATOM 843 CA ASP A 117 41.291 7.496 36.402 1.00 21.06 C ATOM 844 C ASP A 117 41.551 6.354 35.432 1.00 21.02 C ATOM 845 O ASP A 117 42.466 5.560 35.626 1.00 23.06 O ATOM 846 CB ASP A 117 42.123 7.337 37.674 1.00 22.39 C ATOM 847 CG ASP A 117 42.104 8.592 38.508 1.00 21.00 C ATOM 848 OD1 ASP A 117 42.202 8.516 39.747 1.00 23.78 O ATOM 849 OD2 ASP A 117 41.981 9.675 37.901 1.00 25.00 O ATOM 0 H ASP A 117 39.579 8.429 36.702 1.00 18.68 H new ATOM 0 HA ASP A 117 41.555 8.305 35.937 1.00 21.06 H new ATOM 0 HB2 ASP A 117 41.779 6.595 38.196 1.00 22.39 H new ATOM 0 HB3 ASP A 117 43.038 7.118 37.438 1.00 22.39 H new ATOM 850 N GLY A 118 40.734 6.278 34.385 1.00 20.53 N ATOM 851 CA GLY A 118 40.902 5.240 33.384 1.00 22.50 C ATOM 852 C GLY A 118 40.253 3.886 33.666 1.00 23.12 C ATOM 853 O GLY A 118 40.125 3.071 32.758 1.00 24.24 O ATOM 0 H GLY A 118 40.080 6.817 34.239 1.00 20.53 H new ATOM 0 HA2 GLY A 118 40.550 5.573 32.544 1.00 22.50 H new ATOM 0 HA3 GLY A 118 41.853 5.097 33.256 1.00 22.50 H new ATOM 854 N GLU A 119 39.839 3.630 34.903 1.00 21.92 N ATOM 855 CA GLU A 119 39.230 2.338 35.227 1.00 21.01 C ATOM 856 C GLU A 119 37.714 2.381 35.449 1.00 19.48 C ATOM 857 O GLU A 119 37.196 3.282 36.111 1.00 17.53 O ATOM 858 CB GLU A 119 39.859 1.761 36.496 1.00 23.09 C ATOM 859 CG GLU A 119 41.360 1.544 36.442 1.00 31.23 C ATOM 860 CD GLU A 119 41.775 0.544 35.372 1.00 36.18 C ATOM 861 OE1 GLU A 119 41.001 -0.410 35.095 1.00 35.69 O ATOM 862 OE2 GLU A 119 42.886 0.713 34.819 1.00 38.30 O ATOM 0 H GLU A 119 39.899 4.180 35.562 1.00 21.92 H new ATOM 0 HA GLU A 119 39.398 1.786 34.447 1.00 21.01 H new ATOM 0 HB2 GLU A 119 39.661 2.356 37.236 1.00 23.09 H new ATOM 0 HB3 GLU A 119 39.432 0.912 36.692 1.00 23.09 H new ATOM 0 HG2 GLU A 119 41.799 2.392 36.273 1.00 31.23 H new ATOM 0 HG3 GLU A 119 41.669 1.232 37.307 1.00 31.23 H new ATOM 863 N GLU A 120 37.007 1.399 34.900 1.00 20.49 N ATOM 864 CA GLU A 120 35.571 1.294 35.122 1.00 19.52 C ATOM 865 C GLU A 120 35.417 0.874 36.589 1.00 19.12 C ATOM 866 O GLU A 120 35.970 -0.142 37.002 1.00 18.54 O ATOM 867 CB GLU A 120 34.956 0.215 34.235 1.00 22.08 C ATOM 868 CG GLU A 120 33.434 0.059 34.445 1.00 27.00 C ATOM 869 CD GLU A 120 32.783 -0.954 33.499 1.00 29.77 C ATOM 870 OE1 GLU A 120 33.229 -1.055 32.333 1.00 32.00 O ATOM 871 OE2 GLU A 120 31.816 -1.633 33.916 1.00 28.04 O ATOM 0 H GLU A 120 37.339 0.785 34.397 1.00 20.49 H new ATOM 0 HA GLU A 120 35.127 2.131 34.917 1.00 19.52 H new ATOM 0 HB2 GLU A 120 35.129 0.430 33.305 1.00 22.08 H new ATOM 0 HB3 GLU A 120 35.391 -0.633 34.416 1.00 22.08 H new ATOM 0 HG2 GLU A 120 33.268 -0.213 35.361 1.00 27.00 H new ATOM 0 HG3 GLU A 120 33.009 0.922 34.324 1.00 27.00 H new ATOM 872 N VAL A 121 34.687 1.650 37.382 1.00 16.80 N ATOM 873 CA VAL A 121 34.506 1.300 38.776 1.00 16.87 C ATOM 874 C VAL A 121 33.048 0.997 39.083 1.00 16.67 C ATOM 875 O VAL A 121 32.720 0.483 40.143 1.00 15.84 O ATOM 876 CB VAL A 121 34.975 2.433 39.735 1.00 18.15 C ATOM 877 CG1 VAL A 121 36.455 2.736 39.511 1.00 17.70 C ATOM 878 CG2 VAL A 121 34.107 3.684 39.546 1.00 16.28 C ATOM 0 H VAL A 121 34.294 2.373 37.133 1.00 16.80 H new ATOM 0 HA VAL A 121 35.051 0.512 38.924 1.00 16.87 H new ATOM 0 HB VAL A 121 34.869 2.137 40.653 1.00 18.15 H new ATOM 0 HG11 VAL A 121 36.736 3.443 40.113 1.00 17.70 H new ATOM 0 HG12 VAL A 121 36.979 1.938 39.683 1.00 17.70 H new ATOM 0 HG13 VAL A 121 36.592 3.020 38.594 1.00 17.70 H new ATOM 0 HG21 VAL A 121 34.409 4.382 40.148 1.00 16.28 H new ATOM 0 HG22 VAL A 121 34.181 3.994 38.630 1.00 16.28 H new ATOM 0 HG23 VAL A 121 33.181 3.468 39.740 1.00 16.28 H new ATOM 879 N LEU A 122 32.163 1.315 38.156 1.00 14.54 N ATOM 880 CA LEU A 122 30.767 1.066 38.423 1.00 13.87 C ATOM 881 C LEU A 122 29.926 1.036 37.159 1.00 14.07 C ATOM 882 O LEU A 122 30.089 1.873 36.273 1.00 14.40 O ATOM 883 CB LEU A 122 30.228 2.155 39.361 1.00 11.88 C ATOM 884 CG LEU A 122 28.722 2.103 39.674 1.00 15.80 C ATOM 885 CD1 LEU A 122 28.437 0.921 40.613 1.00 12.47 C ATOM 886 CD2 LEU A 122 28.265 3.417 40.304 1.00 13.69 C ATOM 0 H LEU A 122 32.343 1.664 37.391 1.00 14.54 H new ATOM 0 HA LEU A 122 30.704 0.190 38.836 1.00 13.87 H new ATOM 0 HB2 LEU A 122 30.715 2.103 40.198 1.00 11.88 H new ATOM 0 HB3 LEU A 122 30.428 3.020 38.970 1.00 11.88 H new ATOM 0 HG LEU A 122 28.226 1.978 38.850 1.00 15.80 H new ATOM 0 HD11 LEU A 122 27.488 0.887 40.811 1.00 12.47 H new ATOM 0 HD12 LEU A 122 28.707 0.094 40.184 1.00 12.47 H new ATOM 0 HD13 LEU A 122 28.935 1.035 41.437 1.00 12.47 H new ATOM 0 HD21 LEU A 122 27.315 3.371 40.496 1.00 13.69 H new ATOM 0 HD22 LEU A 122 28.754 3.568 41.128 1.00 13.69 H new ATOM 0 HD23 LEU A 122 28.435 4.147 39.689 1.00 13.69 H new ATOM 887 N AARG A 123 29.035 0.056 37.078 0.50 14.33 N ATOM 888 N BARG A 123 29.038 0.053 37.068 0.50 13.80 N ATOM 889 CA AARG A 123 28.130 -0.050 35.940 0.50 15.38 C ATOM 890 CA BARG A 123 28.132 -0.050 35.925 0.50 14.48 C ATOM 891 C AARG A 123 26.734 -0.326 36.472 0.50 14.33 C ATOM 892 C BARG A 123 26.732 -0.332 36.453 0.50 13.74 C ATOM 893 O AARG A 123 26.466 -1.398 37.033 0.50 14.07 O ATOM 894 O BARG A 123 26.460 -1.412 36.994 0.50 13.58 O ATOM 895 CB AARG A 123 28.555 -1.165 34.982 0.50 17.30 C ATOM 896 CB BARG A 123 28.562 -1.159 34.955 0.50 15.43 C ATOM 897 CG AARG A 123 27.632 -1.264 33.773 0.50 21.76 C ATOM 898 CG BARG A 123 27.600 -1.312 33.772 0.50 18.54 C ATOM 899 CD AARG A 123 28.167 -2.198 32.708 0.50 23.67 C ATOM 900 CD BARG A 123 28.187 -2.139 32.634 0.50 19.29 C ATOM 901 NE AARG A 123 29.510 -1.828 32.279 0.50 24.76 N ATOM 902 NE BARG A 123 27.249 -2.263 31.519 0.50 18.77 N ATOM 903 CZ AARG A 123 29.927 -1.874 31.019 0.50 25.38 C ATOM 904 CZ BARG A 123 27.551 -2.790 30.336 0.50 20.87 C ATOM 905 NH1AARG A 123 29.099 -2.271 30.062 0.50 24.92 N ATOM 906 NH1BARG A 123 28.774 -3.251 30.105 0.50 20.15 N ATOM 907 NH2AARG A 123 31.171 -1.537 30.717 0.50 26.31 N ATOM 908 NH2BARG A 123 26.631 -2.849 29.379 0.50 20.22 N ATOM 0 H AARG A 123 28.938 -0.559 37.672 0.50 13.80 H new ATOM 0 H BARG A 123 28.942 -0.566 37.657 0.50 13.80 H new ATOM 0 HA AARG A 123 28.150 0.781 35.439 0.50 14.48 H new ATOM 0 HA BARG A 123 28.152 0.784 35.430 0.50 14.48 H new ATOM 0 HB2AARG A 123 29.463 -1.003 34.682 0.50 15.43 H new ATOM 0 HB2BARG A 123 29.452 -0.965 34.621 0.50 15.43 H new ATOM 0 HB3AARG A 123 28.559 -2.012 35.455 0.50 15.43 H new ATOM 0 HB3BARG A 123 28.616 -2.000 35.434 0.50 15.43 H new ATOM 0 HG2AARG A 123 26.759 -1.573 34.061 0.50 18.54 H new ATOM 0 HG2BARG A 123 26.780 -1.729 34.080 0.50 18.54 H new ATOM 0 HG3AARG A 123 27.508 -0.381 33.392 0.50 18.54 H new ATOM 0 HG3BARG A 123 27.363 -0.433 33.438 0.50 18.54 H new ATOM 0 HD2AARG A 123 28.177 -3.105 33.051 0.50 19.29 H new ATOM 0 HD2BARG A 123 29.008 -1.726 32.323 0.50 19.29 H new ATOM 0 HD3AARG A 123 27.571 -2.190 31.943 0.50 19.29 H new ATOM 0 HD3BARG A 123 28.420 -3.022 32.961 0.50 19.29 H new ATOM 0 HE AARG A 123 30.067 -1.564 32.879 0.50 18.77 H new ATOM 0 HE BARG A 123 26.447 -1.975 31.636 0.50 18.77 H new ATOM 0 HH11AARG A 123 28.293 -2.498 30.258 0.50 20.15 H new ATOM 0 HH11BARG A 123 29.373 -3.209 30.721 0.50 20.15 H new ATOM 0 HH12AARG A 123 29.368 -2.301 29.246 0.50 20.15 H new ATOM 0 HH12BARG A 123 28.968 -3.592 29.339 0.50 20.15 H new ATOM 0 HH21AARG A 123 31.712 -1.287 31.338 0.50 20.22 H new ATOM 0 HH21BARG A 123 25.839 -2.546 29.524 0.50 20.22 H new ATOM 0 HH22AARG A 123 31.439 -1.568 29.900 0.50 20.22 H new ATOM 0 HH22BARG A 123 26.827 -3.190 28.614 0.50 20.22 H new ATOM 909 N LEU A 124 25.853 0.657 36.323 1.00 13.28 N ATOM 910 CA LEU A 124 24.476 0.523 36.786 1.00 12.68 C ATOM 911 C LEU A 124 23.710 0.024 35.573 1.00 14.10 C ATOM 912 O LEU A 124 23.459 0.776 34.619 1.00 13.28 O ATOM 913 CB LEU A 124 23.937 1.877 37.240 1.00 13.27 C ATOM 914 CG LEU A 124 24.741 2.561 38.352 1.00 12.65 C ATOM 915 CD1 LEU A 124 24.150 3.939 38.606 1.00 13.20 C ATOM 916 CD2 LEU A 124 24.689 1.712 39.656 1.00 10.48 C ATOM 0 H ALEU A 124 26.033 1.413 35.955 0.50 13.28 H new ATOM 0 H BLEU A 124 26.036 1.418 35.967 0.50 13.28 H new ATOM 0 HA LEU A 124 24.396 -0.078 37.543 1.00 12.68 H new ATOM 0 HB2 LEU A 124 23.905 2.470 36.473 1.00 13.27 H new ATOM 0 HB3 LEU A 124 23.024 1.759 37.546 1.00 13.27 H new ATOM 0 HG LEU A 124 25.668 2.645 38.078 1.00 12.65 H new ATOM 0 HD11 LEU A 124 24.651 4.382 39.309 1.00 13.20 H new ATOM 0 HD12 LEU A 124 24.198 4.467 37.793 1.00 13.20 H new ATOM 0 HD13 LEU A 124 23.223 3.849 38.878 1.00 13.20 H new ATOM 0 HD21 LEU A 124 25.201 2.155 40.351 1.00 10.48 H new ATOM 0 HD22 LEU A 124 23.768 1.617 39.944 1.00 10.48 H new ATOM 0 HD23 LEU A 124 25.066 0.835 39.486 1.00 10.48 H new ATOM 917 N ARG A 125 23.365 -1.255 35.585 1.00 14.09 N ATOM 918 CA ARG A 125 22.664 -1.847 34.439 1.00 15.72 C ATOM 919 C ARG A 125 21.152 -1.756 34.525 1.00 15.45 C ATOM 920 O ARG A 125 20.589 -1.650 35.615 1.00 15.47 O ATOM 921 CB ARG A 125 23.049 -3.320 34.282 1.00 14.34 C ATOM 922 CG ARG A 125 24.510 -3.549 33.937 1.00 17.46 C ATOM 923 CD ARG A 125 24.779 -5.033 33.733 1.00 14.61 C ATOM 924 NE ARG A 125 26.145 -5.317 33.310 1.00 19.41 N ATOM 925 CZ ARG A 125 26.555 -5.357 32.045 1.00 20.99 C ATOM 926 NH1 ARG A 125 25.706 -5.128 31.054 1.00 23.15 N ATOM 927 NH2 ARG A 125 27.821 -5.637 31.775 1.00 22.22 N ATOM 0 H ARG A 125 23.522 -1.797 36.234 1.00 14.09 H new ATOM 0 HA ARG A 125 22.944 -1.325 33.671 1.00 15.72 H new ATOM 0 HB2 ARG A 125 22.845 -3.787 35.108 1.00 14.34 H new ATOM 0 HB3 ARG A 125 22.498 -3.716 33.589 1.00 14.34 H new ATOM 0 HG2 ARG A 125 24.739 -3.059 33.132 1.00 17.46 H new ATOM 0 HG3 ARG A 125 25.074 -3.207 34.648 1.00 17.46 H new ATOM 0 HD2 ARG A 125 24.598 -5.505 34.561 1.00 14.61 H new ATOM 0 HD3 ARG A 125 24.163 -5.379 33.069 1.00 14.61 H new ATOM 0 HE ARG A 125 26.728 -5.470 33.923 1.00 19.41 H new ATOM 0 HH11 ARG A 125 24.882 -4.952 31.226 1.00 23.15 H new ATOM 0 HH12 ARG A 125 25.979 -5.156 30.239 1.00 23.15 H new ATOM 0 HH21 ARG A 125 28.373 -5.792 32.416 1.00 22.22 H new ATOM 0 HH22 ARG A 125 28.091 -5.664 30.959 1.00 22.22 H new ATOM 928 N GLN A 126 20.513 -1.786 33.358 1.00 13.53 N ATOM 929 CA GLN A 126 19.065 -1.760 33.261 1.00 15.81 C ATOM 930 C GLN A 126 18.447 -0.509 33.886 1.00 16.71 C ATOM 931 O GLN A 126 17.377 -0.581 34.489 1.00 16.40 O ATOM 932 CB GLN A 126 18.492 -3.039 33.909 1.00 15.47 C ATOM 933 CG GLN A 126 19.060 -4.328 33.275 1.00 16.84 C ATOM 934 CD GLN A 126 18.503 -5.610 33.895 1.00 19.57 C ATOM 935 OE1 GLN A 126 18.764 -5.920 35.060 1.00 16.08 O ATOM 936 NE2 GLN A 126 17.727 -6.355 33.114 1.00 15.87 N ATOM 0 H GLN A 126 20.914 -1.822 32.598 1.00 13.53 H new ATOM 0 HA GLN A 126 18.831 -1.731 32.320 1.00 15.81 H new ATOM 0 HB2 GLN A 126 18.691 -3.034 34.858 1.00 15.47 H new ATOM 0 HB3 GLN A 126 17.526 -3.038 33.822 1.00 15.47 H new ATOM 0 HG2 GLN A 126 18.865 -4.326 32.325 1.00 16.84 H new ATOM 0 HG3 GLN A 126 20.026 -4.326 33.366 1.00 16.84 H new ATOM 0 HE21 GLN A 126 17.566 -6.108 32.306 1.00 15.87 H new ATOM 0 HE22 GLN A 126 17.386 -7.084 33.417 1.00 15.87 H new ATOM 937 N VAL A 127 19.097 0.643 33.723 1.00 15.28 N ATOM 938 CA VAL A 127 18.545 1.849 34.313 1.00 17.51 C ATOM 939 C VAL A 127 17.988 2.869 33.332 1.00 19.16 C ATOM 940 O VAL A 127 17.382 3.847 33.750 1.00 19.31 O ATOM 941 CB VAL A 127 19.568 2.551 35.260 1.00 16.14 C ATOM 942 CG1 VAL A 127 19.995 1.581 36.352 1.00 18.06 C ATOM 943 CG2 VAL A 127 20.761 3.043 34.490 1.00 15.79 C ATOM 0 H VAL A 127 19.833 0.743 33.289 1.00 15.28 H new ATOM 0 HA VAL A 127 17.785 1.520 34.818 1.00 17.51 H new ATOM 0 HB VAL A 127 19.143 3.322 35.667 1.00 16.14 H new ATOM 0 HG11 VAL A 127 20.631 2.016 36.941 1.00 18.06 H new ATOM 0 HG12 VAL A 127 19.218 1.306 36.863 1.00 18.06 H new ATOM 0 HG13 VAL A 127 20.409 0.802 35.949 1.00 18.06 H new ATOM 0 HG21 VAL A 127 21.382 3.475 35.097 1.00 15.79 H new ATOM 0 HG22 VAL A 127 21.200 2.293 34.058 1.00 15.79 H new ATOM 0 HG23 VAL A 127 20.472 3.679 33.817 1.00 15.79 H new ATOM 944 N SER A 128 18.152 2.641 32.035 1.00 22.66 N ATOM 945 CA SER A 128 17.639 3.608 31.075 1.00 26.29 C ATOM 946 C SER A 128 17.517 3.161 29.629 1.00 28.12 C ATOM 947 O SER A 128 18.276 2.318 29.159 1.00 27.47 O ATOM 948 CB SER A 128 18.509 4.865 31.096 1.00 26.56 C ATOM 949 OG SER A 128 18.030 5.799 30.143 1.00 28.29 O ATOM 0 H SER A 128 18.545 1.955 31.697 1.00 22.66 H new ATOM 0 HA SER A 128 16.729 3.756 31.377 1.00 26.29 H new ATOM 0 HB2 SER A 128 18.499 5.260 31.982 1.00 26.56 H new ATOM 0 HB3 SER A 128 19.430 4.634 30.899 1.00 26.56 H new ATOM 0 HG SER A 128 17.504 6.337 30.517 1.00 28.29 H new ATOM 950 N GLY A 129 16.555 3.759 28.928 1.00 31.60 N ATOM 951 CA GLY A 129 16.379 3.481 27.515 1.00 33.83 C ATOM 952 C GLY A 129 17.197 4.524 26.760 1.00 36.19 C ATOM 953 O GLY A 129 17.831 5.376 27.388 1.00 33.16 O ATOM 0 H GLY A 129 15.998 4.326 29.255 1.00 31.60 H new ATOM 0 HA2 GLY A 129 16.681 2.585 27.300 1.00 33.83 H new ATOM 0 HA3 GLY A 129 15.442 3.532 27.268 1.00 33.83 H new ATOM 954 N PRO A 130 17.214 4.494 25.416 1.00 39.97 N ATOM 955 CA PRO A 130 17.987 5.483 24.650 1.00 42.12 C ATOM 956 C PRO A 130 17.568 6.908 25.025 1.00 43.55 C ATOM 957 O PRO A 130 16.374 7.183 25.158 1.00 44.48 O ATOM 958 CB PRO A 130 17.637 5.146 23.200 1.00 43.28 C ATOM 959 CG PRO A 130 17.349 3.674 23.251 1.00 42.20 C ATOM 960 CD PRO A 130 16.526 3.554 24.513 1.00 40.90 C ATOM 0 HA PRO A 130 18.941 5.448 24.819 1.00 42.12 H new ATOM 0 HB2 PRO A 130 16.869 5.651 22.890 1.00 43.28 H new ATOM 0 HB3 PRO A 130 18.371 5.347 22.598 1.00 43.28 H new ATOM 0 HG2 PRO A 130 16.860 3.373 22.469 1.00 42.20 H new ATOM 0 HG3 PRO A 130 18.162 3.147 23.297 1.00 42.20 H new ATOM 0 HD2 PRO A 130 15.600 3.802 24.368 1.00 40.90 H new ATOM 0 HD3 PRO A 130 16.526 2.649 24.862 1.00 40.90 H new ATOM 961 N LEU A 131 18.541 7.801 25.205 1.00 45.07 N ATOM 962 CA LEU A 131 18.245 9.192 25.570 1.00 47.22 C ATOM 963 C LEU A 131 17.433 9.923 24.501 1.00 48.63 C ATOM 964 O LEU A 131 16.389 10.503 24.793 1.00 49.26 O ATOM 965 CB LEU A 131 19.534 9.977 25.824 1.00 46.33 C ATOM 966 CG LEU A 131 20.418 9.580 27.006 1.00 46.25 C ATOM 967 CD1 LEU A 131 21.592 10.549 27.093 1.00 44.79 C ATOM 968 CD2 LEU A 131 19.609 9.599 28.292 1.00 45.46 C ATOM 0 H LEU A 131 19.379 7.624 25.121 1.00 45.07 H new ATOM 0 HA LEU A 131 17.714 9.147 26.380 1.00 47.22 H new ATOM 0 HB2 LEU A 131 20.075 9.921 25.021 1.00 46.33 H new ATOM 0 HB3 LEU A 131 19.292 10.909 25.938 1.00 46.33 H new ATOM 0 HG LEU A 131 20.756 8.680 26.877 1.00 46.25 H new ATOM 0 HD11 LEU A 131 22.159 10.304 27.841 1.00 44.79 H new ATOM 0 HD12 LEU A 131 22.106 10.509 26.272 1.00 44.79 H new ATOM 0 HD13 LEU A 131 21.259 11.451 27.222 1.00 44.79 H new ATOM 0 HD21 LEU A 131 20.178 9.346 29.036 1.00 45.46 H new ATOM 0 HD22 LEU A 131 19.260 10.491 28.442 1.00 45.46 H new ATOM 0 HD23 LEU A 131 18.873 8.972 28.221 1.00 45.46 H new ATOM 969 N THR A 132 17.915 9.895 23.264 1.00 50.66 N ATOM 970 CA THR A 132 17.224 10.560 22.163 1.00 52.32 C ATOM 971 C THR A 132 15.767 10.121 22.053 1.00 53.58 C ATOM 972 O THR A 132 14.929 10.855 21.525 1.00 54.76 O ATOM 973 CB THR A 132 17.919 10.280 20.813 1.00 51.91 C ATOM 974 OG1 THR A 132 18.015 8.866 20.611 1.00 50.92 O ATOM 975 CG2 THR A 132 19.314 10.890 20.789 1.00 51.04 C ATOM 0 H THR A 132 18.643 9.496 23.039 1.00 50.66 H new ATOM 0 HA THR A 132 17.256 11.509 22.361 1.00 52.32 H new ATOM 0 HB THR A 132 17.392 10.681 20.104 1.00 51.91 H new ATOM 0 HG1 THR A 132 18.392 8.713 19.876 1.00 50.92 H new ATOM 0 HG21 THR A 132 19.734 10.704 19.935 1.00 51.04 H new ATOM 0 HG22 THR A 132 19.250 11.850 20.915 1.00 51.04 H new ATOM 0 HG23 THR A 132 19.848 10.505 21.502 1.00 51.04 H new ATOM 976 N SER A 133 15.463 8.934 22.565 1.00 54.12 N ATOM 977 CA SER A 133 14.107 8.405 22.500 1.00 54.81 C ATOM 978 C SER A 133 13.321 8.585 23.799 1.00 54.97 C ATOM 979 O SER A 133 12.419 7.798 24.098 1.00 55.08 O ATOM 980 CB SER A 133 14.154 6.920 22.125 1.00 56.03 C ATOM 981 OG SER A 133 14.869 6.724 20.912 1.00 57.13 O ATOM 0 H SER A 133 16.029 8.418 22.955 1.00 54.12 H new ATOM 0 HA SER A 133 13.639 8.916 21.821 1.00 54.81 H new ATOM 0 HB2 SER A 133 14.576 6.416 22.838 1.00 56.03 H new ATOM 0 HB3 SER A 133 13.251 6.578 22.031 1.00 56.03 H new ATOM 0 HG SER A 133 14.885 5.905 20.725 1.00 57.13 H new ATOM 982 N LYS A 134 13.659 9.616 24.569 1.00 53.87 N ATOM 983 CA LYS A 134 12.973 9.880 25.831 1.00 53.64 C ATOM 984 C LYS A 134 11.775 10.820 25.657 1.00 54.91 C ATOM 985 O LYS A 134 11.730 11.614 24.714 1.00 54.97 O ATOM 986 CB LYS A 134 13.955 10.481 26.848 1.00 51.00 C ATOM 987 CG LYS A 134 15.005 9.501 27.370 1.00 47.55 C ATOM 988 CD LYS A 134 16.039 10.182 28.278 1.00 44.47 C ATOM 989 CE LYS A 134 15.400 10.856 29.496 1.00 41.00 C ATOM 990 NZ LYS A 134 14.704 9.898 30.387 1.00 36.98 N ATOM 0 H LYS A 134 14.284 10.175 24.378 1.00 53.87 H new ATOM 0 HA LYS A 134 12.636 9.031 26.156 1.00 53.64 H new ATOM 0 HB2 LYS A 134 14.408 11.234 26.437 1.00 51.00 H new ATOM 0 HB3 LYS A 134 13.451 10.829 27.600 1.00 51.00 H new ATOM 0 HG2 LYS A 134 14.565 8.790 27.862 1.00 47.55 H new ATOM 0 HG3 LYS A 134 15.460 9.087 26.619 1.00 47.55 H new ATOM 0 HD2 LYS A 134 16.684 9.523 28.579 1.00 44.47 H new ATOM 0 HD3 LYS A 134 16.528 10.845 27.765 1.00 44.47 H new ATOM 0 HE2 LYS A 134 16.087 11.319 30.001 1.00 41.00 H new ATOM 0 HE3 LYS A 134 14.768 11.527 29.194 1.00 41.00 H new ATOM 0 HZ1 LYS A 134 14.389 10.329 31.099 1.00 36.98 H new ATOM 0 HZ2 LYS A 134 14.029 9.519 29.947 1.00 36.98 H new ATOM 0 HZ3 LYS A 134 15.276 9.269 30.651 1.00 36.98 H new ATOM 991 N ARG A 135 10.815 10.724 26.578 1.00 56.11 N ATOM 992 CA ARG A 135 9.611 11.561 26.558 1.00 56.90 C ATOM 993 C ARG A 135 9.957 13.038 26.357 1.00 55.23 C ATOM 994 O ARG A 135 9.886 13.563 25.243 1.00 54.57 O ATOM 995 CB ARG A 135 8.838 11.415 27.877 1.00 60.45 C ATOM 996 CG ARG A 135 8.182 10.057 28.109 1.00 64.61 C ATOM 997 CD ARG A 135 7.620 9.956 29.534 1.00 67.61 C ATOM 998 NE ARG A 135 6.786 8.767 29.721 1.00 70.62 N ATOM 999 CZ ARG A 135 6.298 8.365 30.892 1.00 71.54 C ATOM 1000 NH1 ARG A 135 6.559 9.053 31.998 1.00 72.45 N ATOM 1001 NH2 ARG A 135 5.540 7.277 30.959 1.00 71.01 N ATOM 0 H ARG A 135 10.843 10.170 27.235 1.00 56.11 H new ATOM 0 HA ARG A 135 9.065 11.261 25.814 1.00 56.90 H new ATOM 0 HB2 ARG A 135 9.447 11.592 28.611 1.00 60.45 H new ATOM 0 HB3 ARG A 135 8.150 12.098 27.908 1.00 60.45 H new ATOM 0 HG2 ARG A 135 7.468 9.924 27.466 1.00 64.61 H new ATOM 0 HG3 ARG A 135 8.831 9.351 27.962 1.00 64.61 H new ATOM 0 HD2 ARG A 135 8.354 9.936 30.168 1.00 67.61 H new ATOM 0 HD3 ARG A 135 7.097 10.749 29.730 1.00 67.61 H new ATOM 0 HE ARG A 135 6.599 8.296 29.026 1.00 70.62 H new ATOM 0 HH11 ARG A 135 7.045 9.761 31.959 1.00 72.45 H new ATOM 0 HH12 ARG A 135 6.242 8.790 32.753 1.00 72.45 H new ATOM 0 HH21 ARG A 135 5.364 6.831 30.245 1.00 71.01 H new ATOM 0 HH22 ARG A 135 5.225 7.018 31.716 1.00 71.01 H new ATOM 1002 N HIS A 136 10.312 13.701 27.455 1.00 53.23 N ATOM 1003 CA HIS A 136 10.677 15.113 27.429 1.00 51.03 C ATOM 1004 C HIS A 136 12.061 15.206 26.791 1.00 47.76 C ATOM 1005 O HIS A 136 13.038 14.685 27.330 1.00 48.32 O ATOM 1006 CB HIS A 136 10.715 15.675 28.851 1.00 52.24 C ATOM 1007 CG HIS A 136 10.717 17.171 28.907 1.00 55.10 C ATOM 1008 ND1 HIS A 136 11.155 17.875 30.009 1.00 56.32 N ATOM 1009 CD2 HIS A 136 10.321 18.099 28.002 1.00 56.17 C ATOM 1010 CE1 HIS A 136 11.033 19.171 29.780 1.00 57.34 C ATOM 1011 NE2 HIS A 136 10.529 19.334 28.569 1.00 57.27 N ATOM 0 H HIS A 136 10.348 13.343 28.236 1.00 53.23 H new ATOM 0 HA HIS A 136 10.028 15.627 26.924 1.00 51.03 H new ATOM 0 HB2 HIS A 136 9.948 15.342 29.342 1.00 52.24 H new ATOM 0 HB3 HIS A 136 11.507 15.341 29.301 1.00 52.24 H new ATOM 0 HD1 HIS A 136 11.460 17.525 30.733 1.00 56.32 H new ATOM 0 HD2 HIS A 136 9.974 17.932 27.156 1.00 56.17 H new ATOM 0 HE1 HIS A 136 11.263 19.852 30.370 1.00 57.34 H new ATOM 1012 N PRO A 137 12.162 15.878 25.635 1.00 44.11 N ATOM 1013 CA PRO A 137 13.430 16.033 24.913 1.00 41.26 C ATOM 1014 C PRO A 137 14.440 17.046 25.466 1.00 37.54 C ATOM 1015 O PRO A 137 15.431 17.346 24.801 1.00 39.29 O ATOM 1016 CB PRO A 137 12.969 16.397 23.510 1.00 41.54 C ATOM 1017 CG PRO A 137 11.802 17.283 23.804 1.00 43.14 C ATOM 1018 CD PRO A 137 11.062 16.518 24.891 1.00 43.64 C ATOM 0 HA PRO A 137 13.952 15.218 24.985 1.00 41.26 H new ATOM 0 HB2 PRO A 137 13.659 16.856 23.006 1.00 41.54 H new ATOM 0 HB3 PRO A 137 12.714 15.616 22.995 1.00 41.54 H new ATOM 0 HG2 PRO A 137 12.084 18.160 24.109 1.00 43.14 H new ATOM 0 HG3 PRO A 137 11.248 17.420 23.020 1.00 43.14 H new ATOM 0 HD2 PRO A 137 10.539 17.108 25.456 1.00 43.64 H new ATOM 0 HD3 PRO A 137 10.449 15.865 24.519 1.00 43.64 H new ATOM 1019 N ILE A 138 14.199 17.581 26.660 1.00 32.49 N ATOM 1020 CA ILE A 138 15.145 18.532 27.235 1.00 29.04 C ATOM 1021 C ILE A 138 15.829 18.026 28.512 1.00 26.25 C ATOM 1022 O ILE A 138 15.165 17.655 29.486 1.00 26.88 O ATOM 1023 CB ILE A 138 14.473 19.886 27.537 1.00 30.02 C ATOM 1024 CG1 ILE A 138 13.969 20.521 26.235 1.00 33.64 C ATOM 1025 CG2 ILE A 138 15.464 20.828 28.208 1.00 29.39 C ATOM 1026 CD1 ILE A 138 13.498 21.964 26.399 1.00 35.76 C ATOM 0 H ILE A 138 13.509 17.411 27.144 1.00 32.49 H new ATOM 0 HA ILE A 138 15.829 18.642 26.556 1.00 29.04 H new ATOM 0 HB ILE A 138 13.724 19.734 28.134 1.00 30.02 H new ATOM 0 HG12 ILE A 138 14.679 20.494 25.575 1.00 33.64 H new ATOM 0 HG13 ILE A 138 13.237 19.988 25.886 1.00 33.64 H new ATOM 0 HG21 ILE A 138 15.030 21.676 28.393 1.00 29.39 H new ATOM 0 HG22 ILE A 138 15.772 20.435 29.039 1.00 29.39 H new ATOM 0 HG23 ILE A 138 16.221 20.974 27.620 1.00 29.39 H new ATOM 0 HD11 ILE A 138 13.194 22.305 25.543 1.00 35.76 H new ATOM 0 HD12 ILE A 138 12.768 21.996 27.037 1.00 35.76 H new ATOM 0 HD13 ILE A 138 14.232 22.510 26.721 1.00 35.76 H new ATOM 1027 N MET A 139 17.159 18.016 28.492 1.00 21.62 N ATOM 1028 CA MET A 139 17.953 17.590 29.638 1.00 19.35 C ATOM 1029 C MET A 139 18.740 18.749 30.234 1.00 18.67 C ATOM 1030 O MET A 139 19.375 19.532 29.512 1.00 17.34 O ATOM 1031 CB MET A 139 18.946 16.499 29.240 1.00 19.40 C ATOM 1032 CG MET A 139 19.802 15.985 30.412 1.00 18.68 C ATOM 1033 SD MET A 139 20.793 14.524 29.954 1.00 21.71 S ATOM 1034 CE MET A 139 19.525 13.344 29.839 1.00 19.78 C ATOM 0 H MET A 139 17.626 18.257 27.811 1.00 21.62 H new ATOM 0 HA MET A 139 17.328 17.249 30.296 1.00 19.35 H new ATOM 0 HB2 MET A 139 18.459 15.754 28.855 1.00 19.40 H new ATOM 0 HB3 MET A 139 19.532 16.843 28.548 1.00 19.40 H new ATOM 0 HG2 MET A 139 20.393 16.693 30.713 1.00 18.68 H new ATOM 0 HG3 MET A 139 19.224 15.761 31.158 1.00 18.68 H new ATOM 0 HE1 MET A 139 19.746 12.577 30.390 1.00 19.78 H new ATOM 0 HE2 MET A 139 18.691 13.733 30.146 1.00 19.78 H new ATOM 0 HE3 MET A 139 19.428 13.061 28.916 1.00 19.78 H new ATOM 1035 N ARG A 140 18.712 18.851 31.555 1.00 16.80 N ATOM 1036 CA ARG A 140 19.464 19.894 32.245 1.00 16.24 C ATOM 1037 C ARG A 140 20.637 19.262 32.983 1.00 16.96 C ATOM 1038 O ARG A 140 20.483 18.184 33.565 1.00 16.44 O ATOM 1039 CB ARG A 140 18.562 20.613 33.258 1.00 15.98 C ATOM 1040 CG ARG A 140 17.262 21.138 32.660 1.00 16.94 C ATOM 1041 CD ARG A 140 16.467 21.926 33.683 1.00 19.44 C ATOM 1042 NE ARG A 140 15.986 21.095 34.787 1.00 17.70 N ATOM 1043 CZ ARG A 140 15.502 21.590 35.921 1.00 18.08 C ATOM 1044 NH1 ARG A 140 15.439 22.906 36.095 1.00 18.21 N ATOM 1045 NH2 ARG A 140 15.082 20.786 36.879 1.00 15.44 N ATOM 0 H ARG A 140 18.265 18.328 32.072 1.00 16.80 H new ATOM 0 HA ARG A 140 19.787 20.536 31.593 1.00 16.24 H new ATOM 0 HB2 ARG A 140 18.352 20.002 33.982 1.00 15.98 H new ATOM 0 HB3 ARG A 140 19.052 21.355 33.646 1.00 15.98 H new ATOM 0 HG2 ARG A 140 17.459 21.702 31.896 1.00 16.94 H new ATOM 0 HG3 ARG A 140 16.729 20.395 32.335 1.00 16.94 H new ATOM 0 HD2 ARG A 140 17.021 22.639 34.038 1.00 19.44 H new ATOM 0 HD3 ARG A 140 15.710 22.345 33.245 1.00 19.44 H new ATOM 0 HE ARG A 140 16.018 20.240 34.697 1.00 17.70 H new ATOM 0 HH11 ARG A 140 15.711 23.435 35.474 1.00 18.21 H new ATOM 0 HH12 ARG A 140 15.126 23.228 36.828 1.00 18.21 H new ATOM 0 HH21 ARG A 140 15.120 19.933 36.772 1.00 15.44 H new ATOM 0 HH22 ARG A 140 14.770 21.114 37.610 1.00 15.44 H new ATOM 1046 N ILE A 141 21.805 19.904 32.932 1.00 14.43 N ATOM 1047 CA ILE A 141 22.983 19.429 33.663 1.00 15.64 C ATOM 1048 C ILE A 141 23.411 20.580 34.581 1.00 16.87 C ATOM 1049 O ILE A 141 23.650 21.693 34.102 1.00 17.83 O ATOM 1050 CB ILE A 141 24.205 19.109 32.752 1.00 15.64 C ATOM 1051 CG1 ILE A 141 23.900 17.969 31.782 1.00 15.69 C ATOM 1052 CG2 ILE A 141 25.405 18.719 33.630 1.00 15.38 C ATOM 1053 CD1 ILE A 141 23.589 16.644 32.439 1.00 18.99 C ATOM 0 H ILE A 141 21.937 20.622 32.477 1.00 14.43 H new ATOM 0 HA ILE A 141 22.738 18.609 34.120 1.00 15.64 H new ATOM 0 HB ILE A 141 24.408 19.902 32.232 1.00 15.64 H new ATOM 0 HG12 ILE A 141 23.146 18.226 31.228 1.00 15.69 H new ATOM 0 HG13 ILE A 141 24.660 17.852 31.191 1.00 15.69 H new ATOM 0 HG21 ILE A 141 26.168 18.519 33.065 1.00 15.38 H new ATOM 0 HG22 ILE A 141 25.626 19.455 34.222 1.00 15.38 H new ATOM 0 HG23 ILE A 141 25.180 17.937 34.157 1.00 15.38 H new ATOM 0 HD11 ILE A 141 23.408 15.979 31.757 1.00 18.99 H new ATOM 0 HD12 ILE A 141 24.348 16.361 32.973 1.00 18.99 H new ATOM 0 HD13 ILE A 141 22.811 16.740 33.010 1.00 18.99 H new ATOM 1054 N ALA A 142 23.482 20.324 35.884 1.00 14.18 N ATOM 1055 CA ALA A 142 23.895 21.345 36.842 1.00 15.97 C ATOM 1056 C ALA A 142 25.218 20.926 37.494 1.00 17.29 C ATOM 1057 O ALA A 142 25.397 19.762 37.875 1.00 16.21 O ATOM 1058 CB ALA A 142 22.810 21.554 37.907 1.00 14.53 C ATOM 0 H ALA A 142 23.294 19.562 36.235 1.00 14.18 H new ATOM 0 HA ALA A 142 24.023 22.186 36.376 1.00 15.97 H new ATOM 0 HB1 ALA A 142 23.099 22.234 38.535 1.00 14.53 H new ATOM 0 HB2 ALA A 142 21.987 21.838 37.479 1.00 14.53 H new ATOM 0 HB3 ALA A 142 22.657 20.722 38.381 1.00 14.53 H new ATOM 1059 N LEU A 143 26.150 21.867 37.617 1.00 16.01 N ATOM 1060 CA LEU A 143 27.441 21.547 38.201 1.00 16.55 C ATOM 1061 C LEU A 143 27.537 22.037 39.637 1.00 17.64 C ATOM 1062 O LEU A 143 27.141 23.168 39.922 1.00 18.51 O ATOM 1063 CB LEU A 143 28.560 22.182 37.369 1.00 19.57 C ATOM 1064 CG LEU A 143 28.655 21.830 35.878 1.00 20.05 C ATOM 1065 CD1 LEU A 143 29.926 22.445 35.295 1.00 22.31 C ATOM 1066 CD2 LEU A 143 28.687 20.334 35.684 1.00 19.44 C ATOM 0 H LEU A 143 26.054 22.686 37.371 1.00 16.01 H new ATOM 0 HA LEU A 143 27.537 20.582 38.202 1.00 16.55 H new ATOM 0 HB2 LEU A 143 28.469 23.145 37.439 1.00 19.57 H new ATOM 0 HB3 LEU A 143 29.405 21.946 37.782 1.00 19.57 H new ATOM 0 HG LEU A 143 27.875 22.184 35.423 1.00 20.05 H new ATOM 0 HD11 LEU A 143 29.990 22.225 34.353 1.00 22.31 H new ATOM 0 HD12 LEU A 143 29.897 23.409 35.400 1.00 22.31 H new ATOM 0 HD13 LEU A 143 30.700 22.093 35.762 1.00 22.31 H new ATOM 0 HD21 LEU A 143 28.747 20.131 34.737 1.00 19.44 H new ATOM 0 HD22 LEU A 143 29.458 19.964 36.143 1.00 19.44 H new ATOM 0 HD23 LEU A 143 27.877 19.943 36.047 1.00 19.44 H new ATOM 1067 N GLY A 144 28.058 21.188 40.531 1.00 16.63 N ATOM 1068 CA GLY A 144 28.226 21.562 41.928 1.00 16.20 C ATOM 1069 C GLY A 144 26.959 21.780 42.742 1.00 17.56 C ATOM 1070 O GLY A 144 27.001 22.417 43.797 1.00 17.66 O ATOM 0 H GLY A 144 28.319 20.391 40.342 1.00 16.63 H new ATOM 0 HA2 GLY A 144 28.749 20.871 42.364 1.00 16.20 H new ATOM 0 HA3 GLY A 144 28.749 22.378 41.961 1.00 16.20 H new ATOM 1071 N GLY A 145 25.832 21.250 42.270 1.00 17.56 N ATOM 1072 CA GLY A 145 24.587 21.435 42.992 1.00 17.70 C ATOM 1073 C GLY A 145 23.435 20.728 42.313 1.00 19.83 C ATOM 1074 O GLY A 145 23.585 20.214 41.201 1.00 19.42 O ATOM 0 H GLY A 145 25.771 20.789 41.547 1.00 17.56 H new ATOM 0 HA2 GLY A 145 24.685 21.099 43.897 1.00 17.70 H new ATOM 0 HA3 GLY A 145 24.390 22.382 43.061 1.00 17.70 H new ATOM 1075 N LEU A 146 22.287 20.707 42.982 1.00 20.69 N ATOM 1076 CA LEU A 146 21.080 20.050 42.475 1.00 21.87 C ATOM 1077 C LEU A 146 20.081 21.081 41.984 1.00 22.12 C ATOM 1078 O LEU A 146 20.267 22.267 42.206 1.00 21.79 O ATOM 1079 CB LEU A 146 20.401 19.270 43.599 1.00 21.52 C ATOM 1080 CG LEU A 146 21.281 18.439 44.527 1.00 20.84 C ATOM 1081 CD1 LEU A 146 20.417 17.877 45.649 1.00 20.23 C ATOM 1082 CD2 LEU A 146 21.956 17.332 43.750 1.00 18.62 C ATOM 0 H LEU A 146 22.183 21.077 43.751 1.00 20.69 H new ATOM 0 HA LEU A 146 21.346 19.461 41.752 1.00 21.87 H new ATOM 0 HB2 LEU A 146 19.909 19.903 44.145 1.00 21.52 H new ATOM 0 HB3 LEU A 146 19.749 18.675 43.196 1.00 21.52 H new ATOM 0 HG LEU A 146 21.977 18.994 44.912 1.00 20.84 H new ATOM 0 HD11 LEU A 146 20.967 17.346 46.246 1.00 20.23 H new ATOM 0 HD12 LEU A 146 20.014 18.607 46.145 1.00 20.23 H new ATOM 0 HD13 LEU A 146 19.719 17.319 45.272 1.00 20.23 H new ATOM 0 HD21 LEU A 146 22.513 16.810 44.348 1.00 18.62 H new ATOM 0 HD22 LEU A 146 21.282 16.758 43.352 1.00 18.62 H new ATOM 0 HD23 LEU A 146 22.506 17.717 43.050 1.00 18.62 H new ATOM 1083 N LEU A 147 19.004 20.617 41.353 1.00 20.99 N ATOM 1084 CA LEU A 147 17.962 21.519 40.881 1.00 20.59 C ATOM 1085 C LEU A 147 16.685 21.315 41.702 1.00 21.31 C ATOM 1086 O LEU A 147 15.579 21.635 41.262 1.00 21.42 O ATOM 1087 CB LEU A 147 17.720 21.333 39.370 1.00 18.68 C ATOM 1088 CG LEU A 147 18.943 21.830 38.572 1.00 17.69 C ATOM 1089 CD1 LEU A 147 18.771 21.633 37.077 1.00 17.38 C ATOM 1090 CD2 LEU A 147 19.173 23.303 38.876 1.00 19.31 C ATOM 0 H LEU A 147 18.860 19.785 41.190 1.00 20.99 H new ATOM 0 HA LEU A 147 18.251 22.436 41.007 1.00 20.59 H new ATOM 0 HB2 LEU A 147 17.556 20.397 39.174 1.00 18.68 H new ATOM 0 HB3 LEU A 147 16.928 21.823 39.099 1.00 18.68 H new ATOM 0 HG LEU A 147 19.711 21.305 38.845 1.00 17.69 H new ATOM 0 HD11 LEU A 147 19.560 21.958 36.615 1.00 17.38 H new ATOM 0 HD12 LEU A 147 18.650 20.690 36.886 1.00 17.38 H new ATOM 0 HD13 LEU A 147 17.993 22.126 36.773 1.00 17.38 H new ATOM 0 HD21 LEU A 147 19.941 23.621 38.376 1.00 19.31 H new ATOM 0 HD22 LEU A 147 18.388 23.813 38.620 1.00 19.31 H new ATOM 0 HD23 LEU A 147 19.336 23.416 39.825 1.00 19.31 H new ATOM 1091 N PHE A 148 16.861 20.730 42.886 1.00 20.75 N ATOM 1092 CA PHE A 148 15.789 20.537 43.863 1.00 20.08 C ATOM 1093 C PHE A 148 16.454 20.483 45.238 1.00 21.16 C ATOM 1094 O PHE A 148 17.664 20.315 45.331 1.00 22.62 O ATOM 1095 CB PHE A 148 14.888 19.310 43.570 1.00 19.54 C ATOM 1096 CG PHE A 148 15.596 17.968 43.509 1.00 20.36 C ATOM 1097 CD1 PHE A 148 15.606 17.239 42.326 1.00 19.76 C ATOM 1098 CD2 PHE A 148 16.135 17.380 44.650 1.00 20.70 C ATOM 1099 CE1 PHE A 148 16.135 15.942 42.279 1.00 20.65 C ATOM 1100 CE2 PHE A 148 16.666 16.082 44.611 1.00 19.92 C ATOM 1101 CZ PHE A 148 16.662 15.368 43.422 1.00 16.31 C ATOM 0 H PHE A 148 17.622 20.428 43.149 1.00 20.75 H new ATOM 0 HA PHE A 148 15.164 21.277 43.817 1.00 20.08 H new ATOM 0 HB2 PHE A 148 14.202 19.264 44.254 1.00 19.54 H new ATOM 0 HB3 PHE A 148 14.436 19.457 42.724 1.00 19.54 H new ATOM 0 HD1 PHE A 148 15.256 17.618 41.552 1.00 19.76 H new ATOM 0 HD2 PHE A 148 16.143 17.855 45.450 1.00 20.70 H new ATOM 0 HE1 PHE A 148 16.132 15.467 41.479 1.00 20.65 H new ATOM 0 HE2 PHE A 148 17.020 15.701 45.382 1.00 19.92 H new ATOM 0 HZ PHE A 148 17.012 14.507 43.393 1.00 16.31 H new ATOM 1102 N PRO A 149 15.688 20.678 46.323 1.00 21.90 N ATOM 1103 CA PRO A 149 16.293 20.646 47.664 1.00 21.53 C ATOM 1104 C PRO A 149 17.051 19.342 47.977 1.00 20.84 C ATOM 1105 O PRO A 149 16.592 18.264 47.630 1.00 18.93 O ATOM 1106 CB PRO A 149 15.095 20.850 48.588 1.00 21.40 C ATOM 1107 CG PRO A 149 14.144 21.644 47.746 1.00 23.60 C ATOM 1108 CD PRO A 149 14.247 20.958 46.402 1.00 21.77 C ATOM 0 HA PRO A 149 16.981 21.322 47.765 1.00 21.53 H new ATOM 0 HB2 PRO A 149 14.708 20.005 48.865 1.00 21.40 H new ATOM 0 HB3 PRO A 149 15.343 21.327 49.396 1.00 21.40 H new ATOM 0 HG2 PRO A 149 13.240 21.616 48.098 1.00 23.60 H new ATOM 0 HG3 PRO A 149 14.400 22.578 47.695 1.00 23.60 H new ATOM 0 HD2 PRO A 149 13.715 20.147 46.365 1.00 21.77 H new ATOM 0 HD3 PRO A 149 13.946 21.528 45.677 1.00 21.77 H new ATOM 1109 N ALA A 150 18.194 19.457 48.653 1.00 19.15 N ATOM 1110 CA ALA A 150 18.999 18.286 48.990 1.00 21.70 C ATOM 1111 C ALA A 150 18.213 17.291 49.837 1.00 22.75 C ATOM 1112 O ALA A 150 18.477 16.087 49.804 1.00 22.59 O ATOM 1113 CB ALA A 150 20.271 18.708 49.720 1.00 20.74 C ATOM 0 H ALA A 150 18.520 20.205 48.925 1.00 19.15 H new ATOM 0 HA ALA A 150 19.240 17.846 48.160 1.00 21.70 H new ATOM 0 HB1 ALA A 150 20.796 17.922 49.938 1.00 20.74 H new ATOM 0 HB2 ALA A 150 20.791 19.296 49.150 1.00 20.74 H new ATOM 0 HB3 ALA A 150 20.036 19.175 50.537 1.00 20.74 H new ATOM 1114 N SER A 151 17.235 17.803 50.576 1.00 24.00 N ATOM 1115 CA SER A 151 16.400 16.986 51.436 1.00 25.09 C ATOM 1116 C SER A 151 15.499 16.060 50.633 1.00 25.87 C ATOM 1117 O SER A 151 14.972 15.086 51.172 1.00 26.84 O ATOM 1118 CB SER A 151 15.539 17.884 52.333 1.00 29.20 C ATOM 1119 OG SER A 151 14.589 18.611 51.566 1.00 30.09 O ATOM 0 H SER A 151 17.039 18.640 50.590 1.00 24.00 H new ATOM 0 HA SER A 151 16.987 16.438 51.980 1.00 25.09 H new ATOM 0 HB2 SER A 151 15.080 17.342 52.993 1.00 29.20 H new ATOM 0 HB3 SER A 151 16.108 18.501 52.819 1.00 29.20 H new ATOM 0 HG SER A 151 14.128 19.094 52.076 1.00 30.09 H new ATOM 1120 N ASN A 152 15.308 16.362 49.350 1.00 24.83 N ATOM 1121 CA ASN A 152 14.463 15.527 48.509 1.00 25.38 C ATOM 1122 C ASN A 152 15.257 14.447 47.765 1.00 22.95 C ATOM 1123 O ASN A 152 14.725 13.740 46.897 1.00 23.09 O ATOM 1124 CB ASN A 152 13.670 16.390 47.525 1.00 29.99 C ATOM 1125 CG ASN A 152 12.719 17.344 48.236 1.00 35.99 C ATOM 1126 OD1 ASN A 152 12.066 16.972 49.216 1.00 40.53 O ATOM 1127 ND2 ASN A 152 12.638 18.576 47.750 1.00 38.86 N ATOM 0 H ASN A 152 15.656 17.040 48.953 1.00 24.83 H new ATOM 0 HA ASN A 152 13.844 15.065 49.096 1.00 25.38 H new ATOM 0 HB2 ASN A 152 14.285 16.899 46.975 1.00 29.99 H new ATOM 0 HB3 ASN A 152 13.164 15.816 46.928 1.00 29.99 H new ATOM 0 HD21 ASN A 152 12.116 19.151 48.120 1.00 38.86 H new ATOM 0 HD22 ASN A 152 13.108 18.800 47.065 1.00 38.86 H new ATOM 1128 N LEU A 153 16.541 14.347 48.081 1.00 18.69 N ATOM 1129 CA LEU A 153 17.377 13.308 47.493 1.00 16.79 C ATOM 1130 C LEU A 153 16.892 11.991 48.096 1.00 16.83 C ATOM 1131 O LEU A 153 16.220 11.990 49.138 1.00 14.53 O ATOM 1132 CB LEU A 153 18.845 13.515 47.891 1.00 14.32 C ATOM 1133 CG LEU A 153 19.687 14.519 47.095 1.00 16.78 C ATOM 1134 CD1 LEU A 153 21.046 14.737 47.801 1.00 15.55 C ATOM 1135 CD2 LEU A 153 19.905 13.985 45.680 1.00 15.57 C ATOM 0 H LEU A 153 16.947 14.868 48.631 1.00 18.69 H new ATOM 0 HA LEU A 153 17.317 13.321 46.525 1.00 16.79 H new ATOM 0 HB2 LEU A 153 18.862 13.789 48.821 1.00 14.32 H new ATOM 0 HB3 LEU A 153 19.288 12.654 47.840 1.00 14.32 H new ATOM 0 HG LEU A 153 19.222 15.369 47.046 1.00 16.78 H new ATOM 0 HD11 LEU A 153 21.576 15.373 47.295 1.00 15.55 H new ATOM 0 HD12 LEU A 153 20.895 15.082 48.695 1.00 15.55 H new ATOM 0 HD13 LEU A 153 21.521 13.893 47.857 1.00 15.55 H new ATOM 0 HD21 LEU A 153 20.438 14.618 45.173 1.00 15.57 H new ATOM 0 HD22 LEU A 153 20.369 13.134 45.723 1.00 15.57 H new ATOM 0 HD23 LEU A 153 19.047 13.863 45.244 1.00 15.57 H new ATOM 1136 N ARG A 154 17.217 10.868 47.458 1.00 17.89 N ATOM 1137 CA ARG A 154 16.842 9.569 48.020 1.00 17.69 C ATOM 1138 C ARG A 154 17.551 9.488 49.374 1.00 18.16 C ATOM 1139 O ARG A 154 16.989 9.020 50.353 1.00 18.55 O ATOM 1140 CB ARG A 154 17.321 8.427 47.128 1.00 18.97 C ATOM 1141 CG ARG A 154 16.383 8.110 45.963 1.00 18.95 C ATOM 1142 CD ARG A 154 17.032 7.140 44.999 1.00 17.02 C ATOM 1143 NE ARG A 154 17.579 5.979 45.691 1.00 17.69 N ATOM 1144 CZ ARG A 154 16.851 4.972 46.166 1.00 16.90 C ATOM 1145 NH1 ARG A 154 17.444 3.966 46.794 1.00 16.92 N ATOM 1146 NH2 ARG A 154 15.535 4.967 46.003 1.00 17.35 N ATOM 0 H ARG A 154 17.646 10.834 46.713 1.00 17.89 H new ATOM 0 HA ARG A 154 15.878 9.489 48.098 1.00 17.69 H new ATOM 0 HB2 ARG A 154 18.196 8.651 46.774 1.00 18.97 H new ATOM 0 HB3 ARG A 154 17.429 7.630 47.670 1.00 18.97 H new ATOM 0 HG2 ARG A 154 15.556 7.732 46.302 1.00 18.95 H new ATOM 0 HG3 ARG A 154 16.151 8.929 45.497 1.00 18.95 H new ATOM 0 HD2 ARG A 154 16.379 6.849 44.344 1.00 17.02 H new ATOM 0 HD3 ARG A 154 17.740 7.591 44.513 1.00 17.02 H new ATOM 0 HE ARG A 154 18.431 5.943 45.800 1.00 17.69 H new ATOM 0 HH11 ARG A 154 18.298 3.965 46.894 1.00 16.92 H new ATOM 0 HH12 ARG A 154 16.974 3.314 47.102 1.00 16.92 H new ATOM 0 HH21 ARG A 154 15.150 5.616 45.589 1.00 17.35 H new ATOM 0 HH22 ARG A 154 15.066 4.315 46.311 1.00 17.35 H new ATOM 1147 N LEU A 155 18.797 9.954 49.404 1.00 16.90 N ATOM 1148 CA LEU A 155 19.603 9.969 50.622 1.00 15.29 C ATOM 1149 C LEU A 155 20.301 11.329 50.672 1.00 14.73 C ATOM 1150 O LEU A 155 21.279 11.576 49.955 1.00 12.53 O ATOM 1151 CB LEU A 155 20.656 8.851 50.626 1.00 15.62 C ATOM 1152 CG LEU A 155 21.464 8.777 51.941 1.00 17.44 C ATOM 1153 CD1 LEU A 155 20.523 8.439 53.100 1.00 19.13 C ATOM 1154 CD2 LEU A 155 22.583 7.748 51.847 1.00 17.63 C ATOM 0 H LEU A 155 19.201 10.272 48.714 1.00 16.90 H new ATOM 0 HA LEU A 155 19.033 9.823 51.393 1.00 15.29 H new ATOM 0 HB2 LEU A 155 20.215 8.000 50.476 1.00 15.62 H new ATOM 0 HB3 LEU A 155 21.267 8.988 49.885 1.00 15.62 H new ATOM 0 HG LEU A 155 21.875 9.641 52.099 1.00 17.44 H new ATOM 0 HD11 LEU A 155 21.030 8.392 53.926 1.00 19.13 H new ATOM 0 HD12 LEU A 155 19.844 9.127 53.177 1.00 19.13 H new ATOM 0 HD13 LEU A 155 20.098 7.583 52.933 1.00 19.13 H new ATOM 0 HD21 LEU A 155 23.072 7.724 52.685 1.00 17.63 H new ATOM 0 HD22 LEU A 155 22.204 6.873 51.669 1.00 17.63 H new ATOM 0 HD23 LEU A 155 23.187 7.991 51.128 1.00 17.63 H new ATOM 1155 N PRO A 156 19.792 12.234 51.514 1.00 14.33 N ATOM 1156 CA PRO A 156 20.374 13.566 51.642 1.00 15.74 C ATOM 1157 C PRO A 156 21.852 13.592 51.980 1.00 16.76 C ATOM 1158 O PRO A 156 22.368 12.707 52.664 1.00 17.88 O ATOM 1159 CB PRO A 156 19.543 14.200 52.762 1.00 17.36 C ATOM 1160 CG PRO A 156 18.200 13.578 52.569 1.00 17.49 C ATOM 1161 CD PRO A 156 18.576 12.115 52.341 1.00 14.52 C ATOM 0 HA PRO A 156 20.341 14.037 50.795 1.00 15.74 H new ATOM 0 HB2 PRO A 156 19.909 14.002 53.638 1.00 17.36 H new ATOM 0 HB3 PRO A 156 19.507 15.166 52.681 1.00 17.36 H new ATOM 0 HG2 PRO A 156 17.629 13.692 53.345 1.00 17.49 H new ATOM 0 HG3 PRO A 156 17.727 13.956 51.811 1.00 17.49 H new ATOM 0 HD2 PRO A 156 18.748 11.651 53.175 1.00 14.52 H new ATOM 0 HD3 PRO A 156 17.873 11.627 51.884 1.00 14.52 H new ATOM 1162 N LEU A 157 22.518 14.620 51.469 1.00 15.10 N ATOM 1163 CA LEU A 157 23.911 14.908 51.763 1.00 16.79 C ATOM 1164 C LEU A 157 23.956 16.435 51.653 1.00 17.14 C ATOM 1165 O LEU A 157 23.002 17.040 51.148 1.00 15.94 O ATOM 1166 CB LEU A 157 24.862 14.266 50.746 1.00 15.49 C ATOM 1167 CG LEU A 157 24.580 14.394 49.233 1.00 18.54 C ATOM 1168 CD1 LEU A 157 24.644 15.867 48.777 1.00 16.42 C ATOM 1169 CD2 LEU A 157 25.617 13.564 48.477 1.00 17.13 C ATOM 0 H LEU A 157 22.160 15.184 50.927 1.00 15.10 H new ATOM 0 HA LEU A 157 24.195 14.560 52.623 1.00 16.79 H new ATOM 0 HB2 LEU A 157 25.745 14.633 50.906 1.00 15.49 H new ATOM 0 HB3 LEU A 157 24.907 13.319 50.951 1.00 15.49 H new ATOM 0 HG LEU A 157 23.686 14.069 49.045 1.00 18.54 H new ATOM 0 HD11 LEU A 157 24.464 15.919 47.825 1.00 16.42 H new ATOM 0 HD12 LEU A 157 23.981 16.385 49.260 1.00 16.42 H new ATOM 0 HD13 LEU A 157 25.527 16.224 48.958 1.00 16.42 H new ATOM 0 HD21 LEU A 157 25.454 13.633 47.523 1.00 17.13 H new ATOM 0 HD22 LEU A 157 26.506 13.896 48.678 1.00 17.13 H new ATOM 0 HD23 LEU A 157 25.550 12.635 48.749 1.00 17.13 H new ATOM 1170 N VAL A 158 25.029 17.051 52.141 1.00 17.23 N ATOM 1171 CA VAL A 158 25.187 18.498 52.049 1.00 18.15 C ATOM 1172 C VAL A 158 25.889 18.693 50.701 1.00 18.19 C ATOM 1173 O VAL A 158 27.036 18.296 50.532 1.00 19.33 O ATOM 1174 CB VAL A 158 26.041 19.035 53.217 1.00 17.92 C ATOM 1175 CG1 VAL A 158 26.196 20.539 53.096 1.00 18.78 C ATOM 1176 CG2 VAL A 158 25.372 18.677 54.551 1.00 21.85 C ATOM 0 H VAL A 158 25.680 16.646 52.531 1.00 17.23 H new ATOM 0 HA VAL A 158 24.347 18.979 52.105 1.00 18.15 H new ATOM 0 HB VAL A 158 26.921 18.628 53.185 1.00 17.92 H new ATOM 0 HG11 VAL A 158 26.733 20.869 53.833 1.00 18.78 H new ATOM 0 HG12 VAL A 158 26.632 20.753 52.257 1.00 18.78 H new ATOM 0 HG13 VAL A 158 25.321 20.958 53.121 1.00 18.78 H new ATOM 0 HG21 VAL A 158 25.910 19.015 55.284 1.00 21.85 H new ATOM 0 HG22 VAL A 158 24.489 19.076 54.588 1.00 21.85 H new ATOM 0 HG23 VAL A 158 25.294 17.713 54.626 1.00 21.85 H new ATOM 1177 N PRO A 159 25.200 19.316 49.726 1.00 19.50 N ATOM 1178 CA PRO A 159 25.687 19.573 48.359 1.00 20.32 C ATOM 1179 C PRO A 159 26.968 20.356 48.092 1.00 20.77 C ATOM 1180 O PRO A 159 27.636 20.106 47.087 1.00 19.58 O ATOM 1181 CB PRO A 159 24.466 20.199 47.670 1.00 21.71 C ATOM 1182 CG PRO A 159 23.798 20.934 48.785 1.00 24.15 C ATOM 1183 CD PRO A 159 23.892 19.961 49.947 1.00 20.40 C ATOM 0 HA PRO A 159 26.011 18.726 48.015 1.00 20.32 H new ATOM 0 HB2 PRO A 159 24.725 20.795 46.950 1.00 21.71 H new ATOM 0 HB3 PRO A 159 23.885 19.525 47.284 1.00 21.71 H new ATOM 0 HG2 PRO A 159 24.246 21.771 48.982 1.00 24.15 H new ATOM 0 HG3 PRO A 159 22.877 21.149 48.571 1.00 24.15 H new ATOM 0 HD2 PRO A 159 23.855 20.417 50.802 1.00 20.40 H new ATOM 0 HD3 PRO A 159 23.167 19.317 49.937 1.00 20.40 H new ATOM 1184 N ALA A 160 27.317 21.296 48.968 1.00 20.44 N ATOM 1185 CA ALA A 160 28.530 22.087 48.765 1.00 21.71 C ATOM 1186 C ALA A 160 29.768 21.204 48.575 1.00 21.29 C ATOM 1187 O ALA A 160 30.120 20.414 49.450 1.00 21.29 O ATOM 1188 CB ALA A 160 28.743 23.052 49.961 1.00 20.78 C ATOM 0 H ALA A 160 26.872 21.490 49.678 1.00 20.44 H new ATOM 0 HA ALA A 160 28.410 22.600 47.951 1.00 21.71 H new ATOM 0 HB1 ALA A 160 29.549 23.572 49.818 1.00 20.78 H new ATOM 0 HB2 ALA A 160 27.982 23.649 50.035 1.00 20.78 H new ATOM 0 HB3 ALA A 160 28.831 22.539 50.779 1.00 20.78 H new ATOM 1189 N LEU A 161 30.425 21.339 47.427 1.00 21.21 N ATOM 1190 CA LEU A 161 31.627 20.564 47.157 1.00 24.37 C ATOM 1191 C LEU A 161 32.796 21.524 46.943 1.00 25.89 C ATOM 1192 O LEU A 161 32.940 22.129 45.876 1.00 22.81 O ATOM 1193 CB LEU A 161 31.434 19.670 45.922 1.00 26.77 C ATOM 1194 CG LEU A 161 32.313 18.412 45.776 1.00 30.48 C ATOM 1195 CD1 LEU A 161 33.722 18.777 45.309 1.00 32.05 C ATOM 1196 CD2 LEU A 161 32.372 17.672 47.113 1.00 29.76 C ATOM 0 H LEU A 161 30.191 21.872 46.794 1.00 21.21 H new ATOM 0 HA LEU A 161 31.813 19.986 47.914 1.00 24.37 H new ATOM 0 HB2 LEU A 161 30.507 19.385 45.907 1.00 26.77 H new ATOM 0 HB3 LEU A 161 31.574 20.220 45.135 1.00 26.77 H new ATOM 0 HG LEU A 161 31.918 17.834 45.104 1.00 30.48 H new ATOM 0 HD11 LEU A 161 34.254 17.970 45.225 1.00 32.05 H new ATOM 0 HD12 LEU A 161 33.673 19.223 44.449 1.00 32.05 H new ATOM 0 HD13 LEU A 161 34.134 19.370 45.957 1.00 32.05 H new ATOM 0 HD21 LEU A 161 32.925 16.880 47.021 1.00 29.76 H new ATOM 0 HD22 LEU A 161 32.752 18.255 47.789 1.00 29.76 H new ATOM 0 HD23 LEU A 161 31.476 17.411 47.378 1.00 29.76 H new ATOM 1197 N ASP A 162 33.622 21.662 47.975 1.00 26.22 N ATOM 1198 CA ASP A 162 34.779 22.543 47.913 1.00 28.01 C ATOM 1199 C ASP A 162 35.871 21.882 47.091 1.00 27.21 C ATOM 1200 O ASP A 162 36.727 21.175 47.629 1.00 28.77 O ATOM 1201 CB ASP A 162 35.308 22.822 49.318 1.00 31.56 C ATOM 1202 CG ASP A 162 36.186 24.050 49.369 1.00 34.93 C ATOM 1203 OD1 ASP A 162 36.923 24.300 48.390 1.00 36.83 O ATOM 1204 OD2 ASP A 162 36.144 24.759 50.391 1.00 37.89 O ATOM 0 H ASP A 162 33.528 21.251 48.724 1.00 26.22 H new ATOM 0 HA ASP A 162 34.515 23.381 47.502 1.00 28.01 H new ATOM 0 HB2 ASP A 162 34.561 22.936 49.926 1.00 31.56 H new ATOM 0 HB3 ASP A 162 35.812 22.054 49.630 1.00 31.56 H new ATOM 1205 N GLY A 163 35.841 22.120 45.787 1.00 25.77 N ATOM 1206 CA GLY A 163 36.822 21.526 44.898 1.00 25.70 C ATOM 1207 C GLY A 163 36.928 22.268 43.578 1.00 26.48 C ATOM 1208 O GLY A 163 36.226 23.262 43.341 1.00 26.74 O ATOM 0 H GLY A 163 35.261 22.622 45.399 1.00 25.77 H new ATOM 0 HA2 GLY A 163 37.689 21.520 45.334 1.00 25.70 H new ATOM 0 HA3 GLY A 163 36.584 20.601 44.728 1.00 25.70 H new ATOM 1209 N CYS A 164 37.804 21.775 42.712 1.00 27.23 N ATOM 1210 CA CYS A 164 38.027 22.389 41.415 1.00 28.51 C ATOM 1211 C CYS A 164 37.759 21.436 40.264 1.00 27.24 C ATOM 1212 O CYS A 164 38.001 20.232 40.360 1.00 26.56 O ATOM 1213 CB CYS A 164 39.459 22.929 41.354 1.00 32.41 C ATOM 1214 SG CYS A 164 39.712 24.243 42.593 1.00 38.97 S ATOM 0 H CYS A 164 38.284 21.077 42.861 1.00 27.23 H new ATOM 0 HA CYS A 164 37.395 23.118 41.316 1.00 28.51 H new ATOM 0 HB2 CYS A 164 40.088 22.207 41.510 1.00 32.41 H new ATOM 0 HB3 CYS A 164 39.640 23.277 40.467 1.00 32.41 H new ATOM 1215 N LEU A 165 37.254 21.999 39.173 1.00 26.08 N ATOM 1216 CA LEU A 165 36.907 21.247 37.982 1.00 25.06 C ATOM 1217 C LEU A 165 37.612 21.827 36.765 1.00 26.08 C ATOM 1218 O LEU A 165 37.699 23.049 36.621 1.00 27.77 O ATOM 1219 CB LEU A 165 35.395 21.336 37.755 1.00 25.26 C ATOM 1220 CG LEU A 165 34.856 20.681 36.479 1.00 27.08 C ATOM 1221 CD1 LEU A 165 34.491 19.242 36.766 1.00 25.37 C ATOM 1222 CD2 LEU A 165 33.624 21.429 35.994 1.00 29.79 C ATOM 0 H LEU A 165 37.102 22.843 39.106 1.00 26.08 H new ATOM 0 HA LEU A 165 37.181 20.325 38.104 1.00 25.06 H new ATOM 0 HB2 LEU A 165 34.949 20.931 38.516 1.00 25.26 H new ATOM 0 HB3 LEU A 165 35.144 22.273 37.745 1.00 25.26 H new ATOM 0 HG LEU A 165 35.540 20.713 35.792 1.00 27.08 H new ATOM 0 HD11 LEU A 165 34.150 18.827 35.958 1.00 25.37 H new ATOM 0 HD12 LEU A 165 35.278 18.762 37.068 1.00 25.37 H new ATOM 0 HD13 LEU A 165 33.810 19.212 37.457 1.00 25.37 H new ATOM 0 HD21 LEU A 165 33.288 21.010 35.186 1.00 29.79 H new ATOM 0 HD22 LEU A 165 32.939 21.404 36.680 1.00 29.79 H new ATOM 0 HD23 LEU A 165 33.858 22.351 35.805 1.00 29.79 H new ATOM 1223 N ARG A 166 38.106 20.964 35.888 1.00 24.43 N ATOM 1224 CA ARG A 166 38.743 21.427 34.667 1.00 25.50 C ATOM 1225 C ARG A 166 38.580 20.365 33.586 1.00 25.78 C ATOM 1226 O ARG A 166 38.161 19.235 33.872 1.00 24.09 O ATOM 1227 CB ARG A 166 40.231 21.723 34.908 1.00 26.47 C ATOM 1228 CG ARG A 166 41.102 20.502 35.141 1.00 27.43 C ATOM 1229 CD ARG A 166 42.560 20.879 35.420 1.00 30.45 C ATOM 1230 NE ARG A 166 43.411 19.694 35.397 1.00 30.26 N ATOM 1231 CZ ARG A 166 44.730 19.696 35.563 1.00 30.66 C ATOM 1232 NH1 ARG A 166 45.380 20.830 35.769 1.00 30.94 N ATOM 1233 NH2 ARG A 166 45.397 18.547 35.516 1.00 31.32 N ATOM 0 H ARG A 166 38.082 20.109 35.981 1.00 24.43 H new ATOM 0 HA ARG A 166 38.319 22.251 34.379 1.00 25.50 H new ATOM 0 HB2 ARG A 166 40.578 22.209 34.143 1.00 26.47 H new ATOM 0 HB3 ARG A 166 40.309 22.310 35.676 1.00 26.47 H new ATOM 0 HG2 ARG A 166 40.752 19.994 35.890 1.00 27.43 H new ATOM 0 HG3 ARG A 166 41.062 19.924 34.363 1.00 27.43 H new ATOM 0 HD2 ARG A 166 42.867 21.517 34.757 1.00 30.45 H new ATOM 0 HD3 ARG A 166 42.627 21.315 36.284 1.00 30.45 H new ATOM 0 HE ARG A 166 43.029 18.935 35.266 1.00 30.26 H new ATOM 0 HH11 ARG A 166 44.949 21.574 35.796 1.00 30.94 H new ATOM 0 HH12 ARG A 166 46.233 20.823 35.876 1.00 30.94 H new ATOM 0 HH21 ARG A 166 44.975 17.810 35.379 1.00 31.32 H new ATOM 0 HH22 ARG A 166 46.250 18.541 35.622 1.00 31.32 H new ATOM 1234 N ARG A 167 38.912 20.735 32.350 1.00 25.26 N ATOM 1235 CA ARG A 167 38.836 19.833 31.204 1.00 26.88 C ATOM 1236 C ARG A 167 37.522 19.077 31.113 1.00 25.89 C ATOM 1237 O ARG A 167 37.510 17.878 30.851 1.00 24.32 O ATOM 1238 CB ARG A 167 39.993 18.829 31.248 1.00 31.14 C ATOM 1239 CG ARG A 167 41.365 19.451 30.992 1.00 38.96 C ATOM 1240 CD ARG A 167 42.449 18.389 30.989 1.00 44.26 C ATOM 1241 NE ARG A 167 42.075 17.267 30.135 1.00 50.79 N ATOM 1242 CZ ARG A 167 42.798 16.161 29.992 1.00 54.14 C ATOM 1243 NH1 ARG A 167 43.945 16.027 30.652 1.00 56.08 N ATOM 1244 NH2 ARG A 167 42.375 15.187 29.191 1.00 55.21 N ATOM 0 H ARG A 167 39.190 21.524 32.152 1.00 25.26 H new ATOM 0 HA ARG A 167 38.897 20.394 30.415 1.00 26.88 H new ATOM 0 HB2 ARG A 167 40.001 18.397 32.116 1.00 31.14 H new ATOM 0 HB3 ARG A 167 39.834 18.137 30.588 1.00 31.14 H new ATOM 0 HG2 ARG A 167 41.360 19.916 30.141 1.00 38.96 H new ATOM 0 HG3 ARG A 167 41.557 20.113 31.675 1.00 38.96 H new ATOM 0 HD2 ARG A 167 43.283 18.774 30.677 1.00 44.26 H new ATOM 0 HD3 ARG A 167 42.602 18.075 31.894 1.00 44.26 H new ATOM 0 HE ARG A 167 41.338 17.325 29.695 1.00 50.79 H new ATOM 0 HH11 ARG A 167 44.218 16.656 31.171 1.00 56.08 H new ATOM 0 HH12 ARG A 167 44.413 15.311 30.560 1.00 56.08 H new ATOM 0 HH21 ARG A 167 41.633 15.273 28.765 1.00 55.21 H new ATOM 0 HH22 ARG A 167 42.844 14.472 29.099 1.00 55.21 H new ATOM 1245 N ASP A 168 36.420 19.791 31.311 1.00 25.23 N ATOM 1246 CA ASP A 168 35.090 19.198 31.264 1.00 24.60 C ATOM 1247 C ASP A 168 34.423 19.281 29.896 1.00 25.78 C ATOM 1248 O ASP A 168 34.560 20.272 29.169 1.00 27.15 O ATOM 1249 CB ASP A 168 34.178 19.877 32.283 1.00 24.51 C ATOM 1250 CG ASP A 168 34.104 21.387 32.080 1.00 25.09 C ATOM 1251 OD1 ASP A 168 33.018 21.963 32.254 1.00 23.94 O ATOM 1252 OD2 ASP A 168 35.143 22.000 31.760 1.00 27.36 O ATOM 0 H ASP A 168 36.423 20.635 31.477 1.00 25.23 H new ATOM 0 HA ASP A 168 35.217 18.258 31.469 1.00 24.60 H new ATOM 0 HB2 ASP A 168 33.287 19.500 32.217 1.00 24.51 H new ATOM 0 HB3 ASP A 168 34.500 19.689 33.178 1.00 24.51 H new ATOM 1253 N SER A 169 33.684 18.227 29.572 1.00 23.86 N ATOM 1254 CA SER A 169 32.934 18.102 28.332 1.00 22.63 C ATOM 1255 C SER A 169 31.611 17.502 28.791 1.00 22.60 C ATOM 1256 O SER A 169 31.598 16.468 29.464 1.00 20.93 O ATOM 1257 CB SER A 169 33.645 17.151 27.376 1.00 22.73 C ATOM 1258 OG SER A 169 32.914 17.021 26.173 1.00 26.19 O ATOM 0 H SER A 169 33.603 17.542 30.086 1.00 23.86 H new ATOM 0 HA SER A 169 32.832 18.942 27.857 1.00 22.63 H new ATOM 0 HB2 SER A 169 34.536 17.482 27.185 1.00 22.73 H new ATOM 0 HB3 SER A 169 33.749 16.282 27.793 1.00 22.73 H new ATOM 0 HG SER A 169 33.317 16.496 25.655 1.00 26.19 H new ATOM 1259 N TRP A 170 30.503 18.146 28.443 1.00 22.10 N ATOM 1260 CA TRP A 170 29.197 17.681 28.894 1.00 23.59 C ATOM 1261 C TRP A 170 28.277 17.222 27.771 1.00 25.99 C ATOM 1262 O TRP A 170 27.838 18.022 26.943 1.00 26.31 O ATOM 1263 CB TRP A 170 28.532 18.786 29.734 1.00 21.30 C ATOM 1264 CG TRP A 170 29.382 19.181 30.914 1.00 18.83 C ATOM 1265 CD1 TRP A 170 30.252 20.238 30.985 1.00 19.22 C ATOM 1266 CD2 TRP A 170 29.551 18.442 32.134 1.00 17.48 C ATOM 1267 NE1 TRP A 170 30.963 20.195 32.173 1.00 19.51 N ATOM 1268 CE2 TRP A 170 30.553 19.103 32.893 1.00 19.20 C ATOM 1269 CE3 TRP A 170 28.958 17.282 32.659 1.00 17.18 C ATOM 1270 CZ2 TRP A 170 30.976 18.641 34.146 1.00 16.90 C ATOM 1271 CZ3 TRP A 170 29.381 16.818 33.912 1.00 18.53 C ATOM 1272 CH2 TRP A 170 30.383 17.500 34.638 1.00 18.87 C ATOM 0 H TRP A 170 30.485 18.850 27.949 1.00 22.10 H new ATOM 0 HA TRP A 170 29.348 16.889 29.434 1.00 23.59 H new ATOM 0 HB2 TRP A 170 28.371 19.563 29.177 1.00 21.30 H new ATOM 0 HB3 TRP A 170 27.667 18.478 30.047 1.00 21.30 H new ATOM 0 HD1 TRP A 170 30.351 20.890 30.330 1.00 19.22 H new ATOM 0 HE1 TRP A 170 31.563 20.760 32.418 1.00 19.51 H new ATOM 0 HE3 TRP A 170 28.298 16.831 32.184 1.00 17.18 H new ATOM 0 HZ2 TRP A 170 31.633 19.089 34.628 1.00 16.90 H new ATOM 0 HZ3 TRP A 170 28.997 16.051 34.270 1.00 18.53 H new ATOM 0 HH2 TRP A 170 30.648 17.171 35.467 1.00 18.87 H new ATOM 1273 N LEU A 171 27.988 15.924 27.757 1.00 27.63 N ATOM 1274 CA LEU A 171 27.133 15.338 26.733 1.00 31.42 C ATOM 1275 C LEU A 171 27.593 15.731 25.332 1.00 33.11 C ATOM 1276 O LEU A 171 28.762 15.574 24.980 1.00 33.63 O ATOM 1277 CB LEU A 171 25.676 15.766 26.949 1.00 31.58 C ATOM 1278 CG LEU A 171 24.945 15.106 28.122 1.00 32.78 C ATOM 1279 CD1 LEU A 171 23.731 15.935 28.523 1.00 34.93 C ATOM 1280 CD2 LEU A 171 24.531 13.694 27.737 1.00 31.87 C ATOM 0 H LEU A 171 28.281 15.362 28.338 1.00 27.63 H new ATOM 0 HA LEU A 171 27.196 14.373 26.810 1.00 31.42 H new ATOM 0 HB2 LEU A 171 25.657 16.727 27.079 1.00 31.58 H new ATOM 0 HB3 LEU A 171 25.180 15.580 26.137 1.00 31.58 H new ATOM 0 HG LEU A 171 25.542 15.059 28.885 1.00 32.78 H new ATOM 0 HD11 LEU A 171 23.277 15.507 29.266 1.00 34.93 H new ATOM 0 HD12 LEU A 171 24.018 16.823 28.789 1.00 34.93 H new ATOM 0 HD13 LEU A 171 23.123 16.004 27.770 1.00 34.93 H new ATOM 0 HD21 LEU A 171 24.068 13.278 28.481 1.00 31.87 H new ATOM 0 HD22 LEU A 171 23.941 13.728 26.968 1.00 31.87 H new ATOM 0 HD23 LEU A 171 25.320 13.174 27.516 1.00 31.87 H new ATOM 1281 N ASP A 172 26.673 16.258 24.535 1.00 34.73 N ATOM 1282 CA ASP A 172 26.997 16.637 23.171 1.00 35.85 C ATOM 1283 C ASP A 172 26.856 18.144 22.975 1.00 36.17 C ATOM 1284 O ASP A 172 25.746 18.668 22.883 1.00 32.96 O ATOM 1285 CB ASP A 172 26.069 15.896 22.204 1.00 37.86 C ATOM 1286 CG ASP A 172 26.543 15.969 20.768 1.00 39.34 C ATOM 1287 OD1 ASP A 172 27.212 16.968 20.413 1.00 39.27 O ATOM 1288 OD2 ASP A 172 26.233 15.033 19.997 1.00 39.15 O ATOM 0 H ASP A 172 25.857 16.404 24.765 1.00 34.73 H new ATOM 0 HA ASP A 172 27.919 16.394 22.992 1.00 35.85 H new ATOM 0 HB2 ASP A 172 26.004 14.966 22.472 1.00 37.86 H new ATOM 0 HB3 ASP A 172 25.177 16.272 22.266 1.00 37.86 H new ATOM 1289 N LYS A 173 27.989 18.834 22.897 1.00 38.01 N ATOM 1290 CA LYS A 173 27.995 20.281 22.715 1.00 39.11 C ATOM 1291 C LYS A 173 27.112 20.778 21.569 1.00 38.63 C ATOM 1292 O LYS A 173 26.620 21.906 21.607 1.00 38.16 O ATOM 1293 CB LYS A 173 29.422 20.777 22.497 1.00 41.37 C ATOM 1294 CG LYS A 173 29.555 22.283 22.626 1.00 45.58 C ATOM 1295 CD LYS A 173 29.205 22.717 24.037 1.00 47.59 C ATOM 1296 CE LYS A 173 29.496 24.185 24.268 1.00 49.08 C ATOM 1297 NZ LYS A 173 29.445 24.480 25.729 1.00 49.50 N ATOM 0 H LYS A 173 28.771 18.480 22.948 1.00 38.01 H new ATOM 0 HA LYS A 173 27.619 20.645 23.531 1.00 39.11 H new ATOM 0 HB2 LYS A 173 30.009 20.350 23.140 1.00 41.37 H new ATOM 0 HB3 LYS A 173 29.722 20.506 21.615 1.00 41.37 H new ATOM 0 HG2 LYS A 173 30.461 22.555 22.412 1.00 45.58 H new ATOM 0 HG3 LYS A 173 28.969 22.722 21.990 1.00 45.58 H new ATOM 0 HD2 LYS A 173 28.265 22.544 24.204 1.00 47.59 H new ATOM 0 HD3 LYS A 173 29.708 22.184 24.673 1.00 47.59 H new ATOM 0 HE2 LYS A 173 30.370 24.411 23.913 1.00 49.08 H new ATOM 0 HE3 LYS A 173 28.848 24.731 23.795 1.00 49.08 H new ATOM 0 HZ1 LYS A 173 29.182 25.321 25.853 1.00 49.50 H new ATOM 0 HZ2 LYS A 173 28.869 23.928 26.124 1.00 49.50 H new ATOM 0 HZ3 LYS A 173 30.253 24.367 26.083 1.00 49.50 H new ATOM 1298 N GLN A 174 26.905 19.949 20.552 1.00 38.23 N ATOM 1299 CA GLN A 174 26.073 20.358 19.424 1.00 38.57 C ATOM 1300 C GLN A 174 24.591 20.318 19.758 1.00 37.34 C ATOM 1301 O GLN A 174 23.767 20.809 18.991 1.00 36.09 O ATOM 1302 CB GLN A 174 26.334 19.477 18.198 1.00 41.96 C ATOM 1303 CG GLN A 174 27.668 19.743 17.514 1.00 46.34 C ATOM 1304 CD GLN A 174 27.645 19.391 16.028 1.00 49.87 C ATOM 1305 OE1 GLN A 174 28.670 19.474 15.341 1.00 52.54 O ATOM 1306 NE2 GLN A 174 26.474 19.002 15.524 1.00 49.16 N ATOM 0 H GLN A 174 27.232 19.156 20.494 1.00 38.23 H new ATOM 0 HA GLN A 174 26.318 21.275 19.224 1.00 38.57 H new ATOM 0 HB2 GLN A 174 26.300 18.546 18.468 1.00 41.96 H new ATOM 0 HB3 GLN A 174 25.620 19.613 17.556 1.00 41.96 H new ATOM 0 HG2 GLN A 174 27.900 20.679 17.618 1.00 46.34 H new ATOM 0 HG3 GLN A 174 28.362 19.228 17.954 1.00 46.34 H new ATOM 0 HE21 GLN A 174 25.781 18.956 16.032 1.00 49.16 H new ATOM 0 HE22 GLN A 174 26.411 18.797 14.691 1.00 49.16 H new ATOM 1307 N ALA A 175 24.255 19.731 20.902 1.00 34.63 N ATOM 1308 CA ALA A 175 22.865 19.638 21.333 1.00 33.28 C ATOM 1309 C ALA A 175 22.594 20.603 22.486 1.00 31.98 C ATOM 1310 O ALA A 175 21.469 20.703 22.973 1.00 31.22 O ATOM 1311 CB ALA A 175 22.540 18.194 21.756 1.00 32.79 C ATOM 0 H ALA A 175 24.820 19.378 21.446 1.00 34.63 H new ATOM 0 HA ALA A 175 22.293 19.884 20.589 1.00 33.28 H new ATOM 0 HB1 ALA A 175 21.614 18.141 22.041 1.00 32.79 H new ATOM 0 HB2 ALA A 175 22.681 17.597 21.005 1.00 32.79 H new ATOM 0 HB3 ALA A 175 23.119 17.933 22.489 1.00 32.79 H new ATOM 1312 N GLU A 176 23.629 21.315 22.917 1.00 31.67 N ATOM 1313 CA GLU A 176 23.489 22.264 24.017 1.00 31.74 C ATOM 1314 C GLU A 176 22.632 23.449 23.565 1.00 30.86 C ATOM 1315 O GLU A 176 22.957 24.107 22.579 1.00 30.33 O ATOM 1316 CB GLU A 176 24.875 22.754 24.487 1.00 31.14 C ATOM 1317 CG GLU A 176 24.844 23.518 25.812 1.00 31.50 C ATOM 1318 CD GLU A 176 26.231 23.862 26.347 1.00 33.60 C ATOM 1319 OE1 GLU A 176 27.112 22.966 26.383 1.00 34.54 O ATOM 1320 OE2 GLU A 176 26.436 25.028 26.746 1.00 29.96 O ATOM 0 H GLU A 176 24.421 21.264 22.587 1.00 31.67 H new ATOM 0 HA GLU A 176 23.054 21.822 24.763 1.00 31.74 H new ATOM 0 HB2 GLU A 176 25.465 21.990 24.578 1.00 31.14 H new ATOM 0 HB3 GLU A 176 25.256 23.326 23.802 1.00 31.14 H new ATOM 0 HG2 GLU A 176 24.338 24.337 25.693 1.00 31.50 H new ATOM 0 HG3 GLU A 176 24.373 22.987 26.473 1.00 31.50 H new ATOM 1321 N ILE A 177 21.538 23.692 24.285 1.00 28.81 N ATOM 1322 CA ILE A 177 20.609 24.779 23.991 1.00 28.10 C ATOM 1323 C ILE A 177 21.034 26.086 24.656 1.00 28.57 C ATOM 1324 O ILE A 177 20.962 27.162 24.047 1.00 25.51 O ATOM 1325 CB ILE A 177 19.192 24.464 24.506 1.00 28.87 C ATOM 1326 CG1 ILE A 177 18.653 23.193 23.850 1.00 30.91 C ATOM 1327 CG2 ILE A 177 18.262 25.641 24.220 1.00 30.48 C ATOM 1328 CD1 ILE A 177 17.326 22.714 24.449 1.00 29.72 C ATOM 0 H ILE A 177 21.312 23.222 24.969 1.00 28.81 H new ATOM 0 HA ILE A 177 20.614 24.872 23.025 1.00 28.10 H new ATOM 0 HB ILE A 177 19.234 24.319 25.464 1.00 28.87 H new ATOM 0 HG12 ILE A 177 18.533 23.353 22.901 1.00 30.91 H new ATOM 0 HG13 ILE A 177 19.313 22.487 23.937 1.00 30.91 H new ATOM 0 HG21 ILE A 177 17.372 25.437 24.546 1.00 30.48 H new ATOM 0 HG22 ILE A 177 18.596 26.434 24.668 1.00 30.48 H new ATOM 0 HG23 ILE A 177 18.227 25.801 23.264 1.00 30.48 H new ATOM 0 HD11 ILE A 177 17.037 21.908 23.993 1.00 29.72 H new ATOM 0 HD12 ILE A 177 17.446 22.526 25.393 1.00 29.72 H new ATOM 0 HD13 ILE A 177 16.654 23.405 24.341 1.00 29.72 H new ATOM 1329 N SER A 178 21.441 25.994 25.918 1.00 26.87 N ATOM 1330 CA SER A 178 21.863 27.177 26.658 1.00 28.12 C ATOM 1331 C SER A 178 22.673 26.838 27.898 1.00 27.79 C ATOM 1332 O SER A 178 22.763 25.683 28.321 1.00 25.51 O ATOM 1333 CB SER A 178 20.649 28.016 27.074 1.00 29.44 C ATOM 1334 OG SER A 178 19.849 27.307 28.001 1.00 36.25 O ATOM 0 H SER A 178 21.480 25.259 26.362 1.00 26.87 H new ATOM 0 HA SER A 178 22.432 27.683 26.056 1.00 28.12 H new ATOM 0 HB2 SER A 178 20.946 28.851 27.468 1.00 29.44 H new ATOM 0 HB3 SER A 178 20.123 28.243 26.291 1.00 29.44 H new ATOM 0 HG SER A 178 19.989 26.483 27.919 1.00 36.25 H new ATOM 1335 N ALA A 179 23.260 27.875 28.474 1.00 27.32 N ATOM 1336 CA ALA A 179 24.080 27.750 29.661 1.00 28.17 C ATOM 1337 C ALA A 179 23.865 29.001 30.501 1.00 29.79 C ATOM 1338 O ALA A 179 23.819 30.120 29.961 1.00 27.94 O ATOM 1339 CB ALA A 179 25.537 27.627 29.268 1.00 26.55 C ATOM 0 H ALA A 179 23.191 28.681 28.181 1.00 27.32 H new ATOM 0 HA ALA A 179 23.836 26.958 30.166 1.00 28.17 H new ATOM 0 HB1 ALA A 179 26.082 27.544 30.066 1.00 26.55 H new ATOM 0 HB2 ALA A 179 25.657 26.842 28.712 1.00 26.55 H new ATOM 0 HB3 ALA A 179 25.807 28.417 28.774 1.00 26.55 H new ATOM 1340 N SER A 180 23.726 28.799 31.809 1.00 29.25 N ATOM 1341 CA SER A 180 23.505 29.876 32.765 1.00 32.61 C ATOM 1342 C SER A 180 24.384 29.660 33.986 1.00 34.88 C ATOM 1343 O SER A 180 24.878 28.561 34.221 1.00 33.35 O ATOM 1344 CB SER A 180 22.050 29.886 33.237 1.00 33.21 C ATOM 1345 OG SER A 180 21.148 29.868 32.145 1.00 41.77 O ATOM 0 H SER A 180 23.758 28.019 32.170 1.00 29.25 H new ATOM 0 HA SER A 180 23.717 30.715 32.328 1.00 32.61 H new ATOM 0 HB2 SER A 180 21.888 29.116 33.804 1.00 33.21 H new ATOM 0 HB3 SER A 180 21.890 30.676 33.777 1.00 33.21 H new ATOM 0 HG SER A 180 20.359 29.872 32.433 1.00 41.77 H new ATOM 1346 N ALA A 181 24.556 30.719 34.768 1.00 37.36 N ATOM 1347 CA ALA A 181 25.334 30.664 35.999 1.00 39.92 C ATOM 1348 C ALA A 181 24.736 31.707 36.932 1.00 42.08 C ATOM 1349 O ALA A 181 24.726 32.892 36.610 1.00 42.09 O ATOM 1350 CB ALA A 181 26.792 30.978 35.719 1.00 40.06 C ATOM 0 H ALA A 181 24.223 31.494 34.599 1.00 37.36 H new ATOM 0 HA ALA A 181 25.302 29.779 36.395 1.00 39.92 H new ATOM 0 HB1 ALA A 181 27.297 30.938 36.546 1.00 40.06 H new ATOM 0 HB2 ALA A 181 27.148 30.330 35.092 1.00 40.06 H new ATOM 0 HB3 ALA A 181 26.865 31.868 35.340 1.00 40.06 H new ATOM 1351 N PRO A 182 24.206 31.279 38.090 1.00 44.68 N ATOM 1352 CA PRO A 182 23.605 32.212 39.056 1.00 46.85 C ATOM 1353 C PRO A 182 24.559 33.358 39.379 1.00 48.48 C ATOM 1354 O PRO A 182 24.140 34.503 39.541 1.00 49.62 O ATOM 1355 CB PRO A 182 23.325 31.324 40.266 1.00 46.04 C ATOM 1356 CG PRO A 182 23.011 29.998 39.627 1.00 46.84 C ATOM 1357 CD PRO A 182 24.097 29.889 38.567 1.00 46.03 C ATOM 0 HA PRO A 182 22.804 32.650 38.728 1.00 46.85 H new ATOM 0 HB2 PRO A 182 24.091 31.268 40.858 1.00 46.04 H new ATOM 0 HB3 PRO A 182 22.582 31.656 40.794 1.00 46.04 H new ATOM 0 HG2 PRO A 182 23.053 29.269 40.265 1.00 46.84 H new ATOM 0 HG3 PRO A 182 22.122 29.984 39.238 1.00 46.84 H new ATOM 0 HD2 PRO A 182 24.934 29.566 38.937 1.00 46.03 H new ATOM 0 HD3 PRO A 182 23.848 29.280 37.854 1.00 46.03 H new ATOM 1358 N THR A 183 25.844 33.032 39.473 1.00 50.00 N ATOM 1359 CA THR A 183 26.889 34.013 39.751 1.00 51.85 C ATOM 1360 C THR A 183 28.082 33.654 38.884 1.00 52.50 C ATOM 1361 O THR A 183 28.228 32.501 38.484 1.00 52.99 O ATOM 1362 CB THR A 183 27.330 33.990 41.231 1.00 52.13 C ATOM 1363 OG1 THR A 183 27.510 32.632 41.655 1.00 52.61 O ATOM 1364 CG2 THR A 183 26.297 34.677 42.113 1.00 52.27 C ATOM 0 H THR A 183 26.137 32.229 39.377 1.00 50.00 H new ATOM 0 HA THR A 183 26.547 34.901 39.562 1.00 51.85 H new ATOM 0 HB THR A 183 28.168 34.471 41.314 1.00 52.13 H new ATOM 0 HG1 THR A 183 27.751 32.619 42.459 1.00 52.61 H new ATOM 0 HG21 THR A 183 26.592 34.652 43.037 1.00 52.27 H new ATOM 0 HG22 THR A 183 26.193 35.600 41.832 1.00 52.27 H new ATOM 0 HG23 THR A 183 25.446 34.218 42.033 1.00 52.27 H new ATOM 1365 N SER A 184 28.935 34.631 38.598 1.00 53.69 N ATOM 1366 CA SER A 184 30.102 34.388 37.758 1.00 54.78 C ATOM 1367 C SER A 184 31.015 33.298 38.322 1.00 55.47 C ATOM 1368 O SER A 184 31.265 33.235 39.531 1.00 55.37 O ATOM 1369 CB SER A 184 30.891 35.687 37.560 1.00 55.17 C ATOM 1370 OG SER A 184 31.333 36.219 38.797 1.00 57.36 O ATOM 0 H SER A 184 28.857 35.440 38.879 1.00 53.69 H new ATOM 0 HA SER A 184 29.775 34.071 36.901 1.00 54.78 H new ATOM 0 HB2 SER A 184 31.655 35.519 36.987 1.00 55.17 H new ATOM 0 HB3 SER A 184 30.335 36.339 37.106 1.00 55.17 H new ATOM 0 HG SER A 184 31.429 35.596 39.352 1.00 57.36 H new ATOM 1371 N LEU A 185 31.502 32.440 37.431 1.00 55.58 N ATOM 1372 CA LEU A 185 32.387 31.344 37.801 1.00 56.38 C ATOM 1373 C LEU A 185 33.728 31.859 38.306 1.00 56.81 C ATOM 1374 O LEU A 185 34.263 32.836 37.778 1.00 57.13 O ATOM 1375 CB LEU A 185 32.621 30.431 36.596 1.00 56.17 C ATOM 1376 CG LEU A 185 31.381 29.799 35.957 1.00 57.12 C ATOM 1377 CD1 LEU A 185 31.816 28.872 34.834 1.00 56.06 C ATOM 1378 CD2 LEU A 185 30.578 29.034 37.008 1.00 55.46 C ATOM 0 H LEU A 185 31.326 32.479 36.590 1.00 55.58 H new ATOM 0 HA LEU A 185 31.958 30.847 38.515 1.00 56.38 H new ATOM 0 HB2 LEU A 185 33.085 30.943 35.915 1.00 56.17 H new ATOM 0 HB3 LEU A 185 33.218 29.717 36.869 1.00 56.17 H new ATOM 0 HG LEU A 185 30.812 30.495 35.592 1.00 57.12 H new ATOM 0 HD11 LEU A 185 31.034 28.469 34.426 1.00 56.06 H new ATOM 0 HD12 LEU A 185 32.304 29.379 34.166 1.00 56.06 H new ATOM 0 HD13 LEU A 185 32.388 28.176 35.192 1.00 56.06 H new ATOM 0 HD21 LEU A 185 29.796 28.638 36.593 1.00 55.46 H new ATOM 0 HD22 LEU A 185 31.130 28.334 37.391 1.00 55.46 H new ATOM 0 HD23 LEU A 185 30.298 29.644 37.709 1.00 55.46 H new ATOM 1379 N ARG A 186 34.269 31.198 39.326 1.00 56.90 N ATOM 1380 CA ARG A 186 35.558 31.590 39.886 1.00 56.42 C ATOM 1381 C ARG A 186 36.653 30.629 39.452 1.00 55.70 C ATOM 1382 O ARG A 186 36.438 29.422 39.357 1.00 55.16 O ATOM 1383 CB ARG A 186 35.510 31.624 41.411 1.00 57.12 C ATOM 1384 CG ARG A 186 34.406 32.479 41.993 1.00 58.69 C ATOM 1385 CD ARG A 186 34.733 32.851 43.428 1.00 60.25 C ATOM 1386 NE ARG A 186 35.294 31.729 44.183 1.00 62.04 N ATOM 1387 CZ ARG A 186 34.660 30.582 44.411 1.00 63.25 C ATOM 1388 NH1 ARG A 186 33.434 30.390 43.940 1.00 63.36 N ATOM 1389 NH2 ARG A 186 35.247 29.629 45.125 1.00 63.33 N ATOM 0 H ARG A 186 33.905 30.519 39.708 1.00 56.90 H new ATOM 0 HA ARG A 186 35.755 32.479 39.552 1.00 56.42 H new ATOM 0 HB2 ARG A 186 35.406 30.717 41.739 1.00 57.12 H new ATOM 0 HB3 ARG A 186 36.362 31.949 41.742 1.00 57.12 H new ATOM 0 HG2 ARG A 186 34.295 33.282 41.461 1.00 58.69 H new ATOM 0 HG3 ARG A 186 33.564 31.998 41.960 1.00 58.69 H new ATOM 0 HD2 ARG A 186 35.364 33.588 43.432 1.00 60.25 H new ATOM 0 HD3 ARG A 186 33.928 33.164 43.870 1.00 60.25 H new ATOM 0 HE ARG A 186 36.088 31.818 44.501 1.00 62.04 H new ATOM 0 HH11 ARG A 186 33.046 31.008 43.485 1.00 63.36 H new ATOM 0 HH12 ARG A 186 33.027 29.647 44.089 1.00 63.36 H new ATOM 0 HH21 ARG A 186 36.037 29.753 45.440 1.00 63.33 H new ATOM 0 HH22 ARG A 186 34.837 28.888 45.272 1.00 63.33 H new ATOM 1390 N SER A 187 37.834 31.176 39.195 1.00 55.01 N ATOM 1391 CA SER A 187 38.965 30.372 38.769 1.00 54.65 C ATOM 1392 C SER A 187 39.698 29.814 39.983 1.00 53.96 C ATOM 1393 O SER A 187 39.725 30.443 41.039 1.00 53.62 O ATOM 1394 CB SER A 187 39.922 31.224 37.930 1.00 54.53 C ATOM 1395 OG SER A 187 41.045 30.472 37.498 1.00 55.33 O ATOM 0 H SER A 187 38.000 32.017 39.262 1.00 55.01 H new ATOM 0 HA SER A 187 38.641 29.633 38.231 1.00 54.65 H new ATOM 0 HB2 SER A 187 39.451 31.577 37.159 1.00 54.53 H new ATOM 0 HB3 SER A 187 40.222 31.985 38.452 1.00 54.53 H new ATOM 0 HG SER A 187 41.551 30.962 37.040 1.00 55.33 H new ATOM 1396 N CYS A 188 40.271 28.623 39.832 1.00 53.14 N ATOM 1397 CA CYS A 188 41.034 28.001 40.910 1.00 52.63 C ATOM 1398 C CYS A 188 42.505 28.368 40.747 1.00 53.66 C ATOM 1399 O CYS A 188 43.318 27.454 40.502 1.00 53.87 O ATOM 1400 CB CYS A 188 40.864 26.478 40.881 1.00 49.91 C ATOM 1401 SG CYS A 188 39.265 25.927 41.553 1.00 46.75 S ATOM 0 H CYS A 188 40.229 28.157 39.110 1.00 53.14 H new ATOM 0 HA CYS A 188 40.707 28.324 41.764 1.00 52.63 H new ATOM 0 HB2 CYS A 188 40.950 26.166 39.967 1.00 49.91 H new ATOM 0 HB3 CYS A 188 41.581 26.068 41.389 1.00 49.91 H new TER 1402 CYS A 188 HETATM 1403 CA CA A 401 31.329 19.376 51.227 1.00 24.11 CA HETATM 1404 C1 AOM A 301 23.909 9.971 30.832 1.00 15.28 C HETATM 1405 C10 AOM A 301 23.311 10.628 32.113 1.00 16.29 C HETATM 1406 C11 AOM A 301 21.228 9.020 32.083 1.00 16.65 C HETATM 1407 C12 AOM A 301 19.664 8.924 32.089 1.00 13.60 C HETATM 1408 C13 AOM A 301 19.048 9.662 33.293 1.00 14.36 C HETATM 1409 C14 AOM A 301 19.552 11.141 33.307 1.00 11.54 C HETATM 1410 C15 AOM A 301 18.681 11.810 34.411 1.00 15.10 C HETATM 1411 C16 AOM A 301 17.304 11.023 34.293 1.00 13.56 C HETATM 1412 C17 AOM A 301 17.551 9.977 33.187 1.00 13.85 C HETATM 1413 C18 AOM A 301 19.357 8.869 34.614 1.00 12.63 C HETATM 1414 C19 AOM A 301 23.896 9.860 33.363 1.00 14.72 C HETATM 1415 C2 AOM A 301 25.460 10.171 30.720 1.00 15.65 C HETATM 1416 C3 AOM A 301 25.779 11.691 30.763 1.00 15.74 C HETATM 1417 C4 AOM A 301 25.245 12.364 32.057 1.00 14.85 C HETATM 1418 C5 AOM A 301 23.710 12.183 32.135 1.00 17.19 C HETATM 1419 C6 AOM A 301 23.125 12.859 33.404 1.00 14.11 C HETATM 1420 C7 AOM A 301 21.588 12.715 33.410 1.00 15.26 C HETATM 1421 C8 AOM A 301 21.103 11.241 33.381 1.00 14.51 C HETATM 1422 C9 AOM A 301 21.731 10.504 32.126 1.00 15.29 C HETATM 1423 O3 AOM A 301 27.204 11.880 30.656 1.00 17.21 O HETATM 1424 O17 AOM A 301 16.700 8.837 33.400 1.00 15.98 O HETATM 0 HO17 AOM A 301 15.914 9.097 33.542 1.00 15.98 H new HETATM 0 HC72 AOM A 301 21.233 13.149 34.201 1.00 15.26 H new HETATM 0 HC71 AOM A 301 21.224 13.183 32.642 1.00 15.26 H new HETATM 0 HC62 AOM A 301 23.500 12.451 34.200 1.00 14.11 H new HETATM 0 HC61 AOM A 301 23.371 13.797 33.424 1.00 14.11 H new HETATM 0 HC42 AOM A 301 25.667 11.970 32.836 1.00 14.85 H new HETATM 0 HC41 AOM A 301 25.470 13.308 32.059 1.00 14.85 H new HETATM 0 HC22 AOM A 301 25.910 9.714 31.447 1.00 15.65 H new HETATM 0 HC21 AOM A 301 25.789 9.783 29.894 1.00 15.65 H new HETATM 0 HC12 AOM A 301 23.708 9.022 30.835 1.00 15.28 H new HETATM 0 HC11 AOM A 301 23.480 10.349 30.048 1.00 15.28 H new HETATM 0 H193 AOM A 301 23.645 8.924 33.315 1.00 14.72 H new HETATM 0 H192 AOM A 301 24.863 9.935 33.365 1.00 14.72 H new HETATM 0 H191 AOM A 301 23.540 10.249 34.177 1.00 14.72 H new HETATM 0 H183 AOM A 301 18.977 7.979 34.554 1.00 12.63 H new HETATM 0 H182 AOM A 301 20.317 8.802 34.735 1.00 12.63 H new HETATM 0 H181 AOM A 301 18.968 9.336 35.370 1.00 12.63 H new HETATM 0 H17C AOM A 301 17.336 10.283 32.292 1.00 13.85 H new HETATM 0 H162 AOM A 301 17.066 10.600 35.133 1.00 13.56 H new HETATM 0 H161 AOM A 301 16.575 11.619 34.059 1.00 13.56 H new HETATM 0 H152 AOM A 301 19.077 11.713 35.291 1.00 15.10 H new HETATM 0 H151 AOM A 301 18.568 12.760 34.254 1.00 15.10 H new HETATM 0 H14C AOM A 301 19.426 11.639 32.484 1.00 11.54 H new HETATM 0 H122 AOM A 301 19.314 9.300 31.266 1.00 13.60 H new HETATM 0 H121 AOM A 301 19.398 7.992 32.111 1.00 13.60 H new HETATM 0 H112 AOM A 301 21.583 8.538 32.846 1.00 16.65 H new HETATM 0 H111 AOM A 301 21.574 8.586 31.287 1.00 16.65 H new HETATM 0 HO3 AOM A 301 27.437 11.805 29.852 1.00 17.21 H new HETATM 0 HC9 AOM A 301 21.430 10.938 31.313 1.00 15.29 H new HETATM 0 HC8 AOM A 301 21.392 10.819 34.205 1.00 14.51 H new HETATM 0 HC5 AOM A 301 23.330 12.614 31.354 1.00 17.19 H new HETATM 0 HC3 AOM A 301 25.329 12.114 30.015 1.00 15.74 H new HETATM 1425 O HOH A 402 27.751 6.220 49.151 1.00 16.11 O HETATM 1426 O HOH A 403 26.802 11.611 54.559 1.00 20.41 O HETATM 1427 O HOH A 404 29.267 22.840 45.182 1.00 23.53 O HETATM 1428 O HOH A 405 16.217 -1.469 37.009 1.00 23.08 O HETATM 1429 O HOH A 406 15.437 0.182 40.916 1.00 16.23 O HETATM 1430 O HOH A 407 30.402 12.083 53.919 1.00 22.08 O HETATM 1431 O HOH A 408 20.195 -1.868 38.205 1.00 29.19 O HETATM 1432 O HOH A 409 17.467 -0.779 39.368 1.00 20.64 O HETATM 1433 O HOH A 410 30.361 7.013 48.320 1.00 19.71 O HETATM 1434 O HOH A 411 24.878 23.220 46.061 1.00 25.38 O HETATM 1435 O HOH A 412 22.573 -4.418 31.143 1.00 22.22 O HETATM 1436 O HOH A 413 41.357 15.201 44.827 1.00 25.01 O HETATM 1437 O HOH A 414 34.629 5.792 52.231 1.00 23.86 O HETATM 1438 O HOH A 415 24.822 3.152 24.132 1.00 23.14 O HETATM 1439 O HOH A 416 33.965 -1.964 37.733 1.00 21.57 O HETATM 1440 O HOH A 417 29.247 19.231 51.995 1.00 22.41 O HETATM 1441 O HOH A 418 38.867 21.095 49.243 1.00 24.72 O HETATM 1442 O HOH A 419 13.650 7.074 44.638 1.00 19.94 O HETATM 1443 O HOH A 420 41.376 10.630 50.849 1.00 22.45 O HETATM 1444 O HOH A 421 26.313 15.848 57.610 1.00 24.48 O HETATM 1445 O HOH A 422 22.356 22.272 45.419 1.00 30.30 O HETATM 1446 O HOH A 423 37.762 -1.292 38.809 1.00 30.21 O HETATM 1447 O HOH A 424 31.604 -2.537 36.248 1.00 25.26 O HETATM 1448 O HOH A 425 28.501 14.771 56.433 1.00 20.34 O HETATM 1449 O HOH A 426 20.620 26.436 31.187 1.00 27.83 O HETATM 1450 O HOH A 427 32.108 25.238 33.891 1.00 38.62 O HETATM 1451 O HOH A 428 42.610 8.819 50.265 1.00 23.73 O HETATM 1452 O HOH A 429 32.076 12.935 56.165 1.00 28.34 O HETATM 1453 O HOH A 430 26.954 18.448 58.172 1.00 27.96 O HETATM 1454 O HOH A 431 16.268 7.815 31.000 1.00 25.83 O HETATM 1455 O HOH A 432 40.677 4.671 51.055 1.00 27.74 O HETATM 1456 O HOH A 433 37.005 29.717 33.953 1.00 40.98 O HETATM 1457 O HOH A 434 31.606 18.381 53.459 1.00 28.16 O HETATM 1458 O HOH A 435 14.272 22.594 39.106 1.00 27.70 O HETATM 1459 O HOH A 436 3.622 16.651 41.191 1.00 29.46 O HETATM 1460 O HOH A 437 21.187 11.750 54.805 1.00 28.65 O HETATM 1461 O HOH A 438 19.532 21.854 46.425 1.00 37.82 O HETATM 1462 O HOH A 439 30.700 -4.586 35.163 1.00 29.78 O HETATM 1463 O HOH A 440 24.923 27.211 25.274 1.00 29.49 O HETATM 1464 O HOH A 441 40.466 4.778 48.307 1.00 27.40 O HETATM 1465 O HOH A 442 28.695 6.673 54.997 1.00 34.35 O HETATM 1466 O HOH A 443 25.474 22.938 50.815 1.00 29.57 O HETATM 1467 O HOH A 444 24.119 -2.033 28.995 1.00 38.00 O HETATM 1468 O HOH A 445 13.176 -0.988 40.476 1.00 30.70 O HETATM 1469 O HOH A 446 40.092 4.306 39.759 1.00 32.56 O HETATM 1470 O HOH A 447 47.270 15.948 40.861 1.00 44.04 O HETATM 1471 O HOH A 448 35.647 25.638 45.482 1.00 43.87 O HETATM 1472 O HOH A 449 34.818 11.428 55.620 1.00 38.24 O HETATM 1473 O HOH A 450 28.873 10.086 55.214 1.00 32.91 O HETATM 1474 O HOH A 451 21.779 6.580 25.159 1.00 35.60 O HETATM 1475 O HOH A 452 31.992 4.494 52.086 1.00 39.76 O HETATM 1476 O HOH A 453 38.601 8.188 33.804 1.00 36.48 O HETATM 1477 O HOH A 454 31.587 21.535 52.425 1.00 29.92 O HETATM 1478 O HOH A 455 12.497 8.980 46.353 1.00 28.30 O HETATM 1479 O HOH A 456 26.129 35.047 34.184 1.00 39.02 O HETATM 1480 O HOH A 457 12.214 8.035 33.630 1.00 33.03 O HETATM 1481 O HOH A 458 28.286 20.567 26.067 1.00 30.51 O HETATM 1482 O HOH A 459 30.667 20.379 26.548 1.00 33.93 O HETATM 1483 O HOH A 460 27.690 26.119 45.121 1.00 42.77 O HETATM 1484 O HOH A 461 31.401 5.274 54.857 1.00 40.45 O HETATM 1485 O HOH A 462 38.487 -0.544 33.707 1.00 36.26 O HETATM 1486 O HOH A 463 42.117 6.326 40.950 1.00 34.81 O HETATM 1487 O HOH A 464 17.222 -6.195 30.307 1.00 31.98 O HETATM 1488 O HOH A 465 18.218 11.448 55.708 1.00 40.76 O HETATM 1489 O HOH A 466 23.923 35.044 36.042 1.00 47.14 O HETATM 1490 O HOH A 467 24.055 33.267 33.422 1.00 33.07 O HETATM 1491 O HOH A 468 24.849 5.830 24.035 1.00 45.97 O HETATM 1492 O HOH A 469 28.839 37.460 38.391 1.00 39.04 O HETATM 1493 O HOH A 470 22.453 36.205 37.692 1.00 51.41 O HETATM 1494 O HOH A 471 13.492 11.198 46.359 1.00 36.35 O HETATM 1495 O HOH A 472 32.869 29.041 40.181 1.00 41.69 O HETATM 1496 O HOH A 473 13.312 3.221 46.032 1.00 32.34 O HETATM 1497 O HOH A 474 31.859 24.238 31.645 1.00 49.23 O HETATM 1498 O HOH A 475 29.092 8.674 24.002 1.00 36.51 O HETATM 1499 O HOH A 476 26.622 29.045 42.510 1.00 39.32 O HETATM 1500 O HOH A 477 14.941 19.756 17.640 1.00 42.05 O HETATM 1501 O HOH A 478 10.581 19.241 41.776 1.00 46.64 O HETATM 1502 O HOH A 479 39.592 -1.907 36.623 1.00 38.61 O HETATM 1503 O HOH A 480 34.390 0.000 42.300 0.50 22.05 O HETATM 1504 O HOH A 481 36.989 0.762 42.464 1.00 42.05 O HETATM 1505 O HOH A 482 12.818 -1.743 36.025 1.00 35.21 O HETATM 1506 O HOH A 483 11.276 0.806 39.172 1.00 46.56 O HETATM 1507 O HOH A 484 41.497 22.870 46.636 1.00 48.19 O HETATM 1508 O HOH A 485 15.316 14.805 54.212 1.00 35.60 O HETATM 1509 O HOH A 486 15.683 23.592 44.283 1.00 45.57 O HETATM 1510 O HOH A 487 19.158 29.925 53.035 1.00 46.81 O HETATM 1511 O HOH A 488 16.473 23.977 49.738 1.00 42.21 O HETATM 1512 O HOH A 489 18.521 17.356 54.180 1.00 41.56 O HETATM 1513 O HOH A 490 17.466 20.518 51.902 1.00 42.58 O HETATM 1514 O HOH A 491 15.862 25.223 33.399 1.00 38.23 O HETATM 1515 O HOH A 492 14.239 19.641 31.250 1.00 37.89 O HETATM 1516 O HOH A 493 25.241 28.919 46.460 1.00 44.44 O HETATM 1517 O HOH A 494 19.395 24.089 44.410 1.00 44.37 O CONECT 291 1403 CONECT 292 1403 CONECT 303 1403 CONECT 1187 1403 CONECT 1214 1401 CONECT 1401 1214 CONECT 1403 291 292 303 1187 CONECT 1403 1440 1457 1477 CONECT 1404 1405 1415 CONECT 1405 1404 1414 1418 1422 CONECT 1406 1407 1422 CONECT 1407 1406 1408 CONECT 1408 1407 1409 1412 1413 CONECT 1409 1408 1410 1421 CONECT 1410 1409 1411 CONECT 1411 1410 1412 CONECT 1412 1408 1411 1424 CONECT 1413 1408 CONECT 1414 1405 CONECT 1415 1404 1416 CONECT 1416 1415 1417 1423 CONECT 1417 1416 1418 CONECT 1418 1405 1417 1419 CONECT 1419 1418 1420 CONECT 1420 1419 1421 CONECT 1421 1409 1420 1422 CONECT 1422 1405 1406 1421 CONECT 1423 1416 CONECT 1424 1412 CONECT 1440 1403 CONECT 1457 1403 CONECT 1477 1403 END