PDB Full entry for 1KWA HEADER KINASE 16-JAN-98 1KWA TITLE HUMAN CASK/LIN-2 PDZ DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: HCASK/LIN-2 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: PDZ DOMAIN; COMPND 5 SYNONYM: HCASK, GLGF REPEAT, DHR; COMPND 6 ENGINEERED: YES; COMPND 7 BIOLOGICAL_UNIT: MONOMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGAN: LIVER; SOURCE 5 CELLULAR_LOCATION: MEMBRANE-ASSOCIATED; SOURCE 6 PLASMID: PGET-2T; SOURCE 7 GENE: HCASK; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: DH5 ALPHA; SOURCE 10 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: PGEX-2T; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: N-TERMINAL GST FUSION, AMP SOURCE 13 RESISTANT; SOURCE 14 OTHER_DETAILS: CLONED FROM A CDNA LIVER LIBRARY KEYWDS PDZ DOMAIN, NEUREXIN, SYNDECAN, RECEPTOR CLUSTERING, KINASE EXPDTA X-RAY DIFFRACTION AUTHOR D.L.DANIELS,A.R.COHEN,J.M.ANDERSON,A.T.BRUNGER REVDAT 1 27-MAY-98 1KWA 0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.A.DOYLE,A.LEE,J.LEWIS,E.KIM,M.SHENG,R.MACKINNON REMARK 1 TITL CRYSTAL STRUCTURES OF A COMPLEXED AND PEPTIDE-FREE REMARK 1 TITL 2 MEMBRANE PROTEIN-BINDING DOMAIN: MOLECULAR BASIS OF REMARK 1 TITL 3 PEPTIDE RECOGNITION BY PDZ REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 85 1067 1996 REMARK 1 REFN ASTM CELLB5 US ISSN 0092-8674 0998 REMARK 2 REMARK 2 RESOLUTION. 1.93 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.3 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, REMARK 3 GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, REMARK 3 PANNU,READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.93 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 OUTLIER CUTOFF HIGH (RMS(ABS(F))) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.0 REMARK 3 NUMBER OF REFLECTIONS : 13564 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) : 0.251 REMARK 3 FREE R VALUE : 0.298 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.4 REMARK 3 FREE R VALUE TEST SET COUNT : 1278 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.93 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.05 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.0 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1957 REMARK 3 BIN R VALUE (WORKING SET) : 0.278 REMARK 3 BIN FREE R VALUE : 0.335 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.4 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 204 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.023 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1373 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 15 REMARK 3 SOLVENT ATOMS : 185 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.0 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.1 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.94 REMARK 3 B22 (A**2) : 0.52 REMARK 3 B33 (A**2) : 3.43 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 REMARK 3 ESD FROM SIGMAA (A) : 0.17 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.27 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.4 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.8 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.70 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.24 ; 1.5 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.85 ; 2.0 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.02 ; 2.0 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.78 ; 2.5 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.359764 REMARK 3 BSOL : 48.6165 REMARK 3 REMARK 3 NCS MODEL : NONE REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : SULPHATE_ION.PARA REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : DEC-1996 REMARK 200 TEMPERATURE (KELVIN) : 110 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : 1-5 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 - 1.033 REMARK 200 MONOCHROMATOR : SILICON REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14216 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.93 REMARK 200 RESOLUTION RANGE LOW (A) : 30. REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 REMARK 200 DATA REDUNDANCY : 3.5 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.032 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 21.6 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.93 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.96 REMARK 200 COMPLETENESS FOR SHELL (%) : 78.1 REMARK 200 DATA REDUNDANCY IN SHELL : 2.0 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.293 REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.1 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD, SIR REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55. REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.3 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED IN REMARK 280 1.8M AMMONIUM SULFATE AND 100MM MES PH 6.5 AT 21 DEGREES REMARK 280 C. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,1/2+Z REMARK 290 3555 -X,Y,1/2-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 1/2+X,1/2+Y,Z REMARK 290 6555 1/2-X,1/2-Y,1/2+Z REMARK 290 7555 1/2-X,1/2+Y,1/2-Z REMARK 290 8555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.99816 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.99816 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 20.39984 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 48.50131 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 20.39984 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 48.50131 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 45.99816 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 20.39984 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 48.50131 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 45.99816 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 20.39984 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 48.50131 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 295 REMARK 295 NON-CRYSTALLOGRAPHIC SYMMETRY REMARK 295 THE TRANSFORMATIONS PRESENTED ON THE MTRIX RECORDS BELOW REMARK 295 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG ATOMS REMARK 295 IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX REMARK 295 TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD REMARK 295 APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND. REMARK 295 CHAIN IDENTIFIERS GIVEN AS "?" REFER TO CHAINS FOR WHICH REMARK 295 ATOMS ARE NOT FOUND IN THIS ENTRY. REMARK 295 REMARK 295 APPLIED TO TRANSFORMED TO REMARK 295 TRANSFORM CHAIN RESIDUES CHAIN RESIDUES RMSD REMARK 295 SSS REMARK 295 M 1 A 513 .. 569 B 513 .. 569 1.048 REMARK 295 REMARK 295 WHERE SSS -> COLUMNS 8-10 OF MTRIX RECORDS REMARK 295 REMARK 295 REMARK: NULL 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 O HOH 3 REMARK 375 O HOH 85 REMARK 375 O HOH 100 REMARK 375 O HOH 105 REMARK 375 REMARK 375 REMARK: NULL REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 487 CB CG CD NE CZ NH1 NH2 REMARK 470 ASN A 508 CG OD1 ND2 REMARK 470 GLU A 509 CG CD OE1 OE2 REMARK 470 ARG B 487 CB CG CD NE CZ NH1 NH2 REMARK 470 LYS B 554 CG CD CE NZ REMARK 470 ARG B 557 CG CD NE CZ NH1 NH2 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 232 O HOH 232 3655 2.06 REMARK 999 REMARK 999 SEQUENCE REMARK 999 1KWA A GB 2641549 1 - 486 NOT IN ATOMS LIST REMARK 999 1KWA A GB 2641549 575 - 921 NOT IN ATOMS LIST REMARK 999 1KWA B GB 2641549 1 - 486 NOT IN ATOMS LIST REMARK 999 1KWA B GB 2641549 575 - 921 NOT IN ATOMS LIST DBREF 1KWA A 487 574 GB 2641549 AF032119 487 574 DBREF 1KWA B 487 507 GB 2641549 AF032119 487 507 DBREF 1KWA B 510 574 GB 2641549 AF032119 510 574 SEQADV 1KWA SER A 488 GB 2641549 VAL 488 CONFLICT SEQADV 1KWA GLU A 573 GB 2641549 THR 573 CONFLICT SEQADV 1KWA PHE A 574 GB 2641549 GLN 574 CONFLICT SEQADV 1KWA SER B 488 GB 2641549 VAL 488 CONFLICT SEQADV 1KWA B GB 2641549 ASN 508 GAP IN PDB ENTRY SEQADV 1KWA B GB 2641549 GLU 509 GAP IN PDB ENTRY SEQADV 1KWA GLU B 573 GB 2641549 THR 573 CONFLICT SEQADV 1KWA PHE B 574 GB 2641549 GLN 574 CONFLICT SEQRES 1 A 88 ARG SER ARG LEU VAL GLN PHE GLN LYS ASN THR ASP GLU SEQRES 2 A 88 PRO MET GLY ILE THR LEU LYS MET ASN GLU LEU ASN HIS SEQRES 3 A 88 CYS ILE VAL ALA ARG ILE MET HIS GLY GLY MET ILE HIS SEQRES 4 A 88 ARG GLN GLY THR LEU HIS VAL GLY ASP GLU ILE ARG GLU SEQRES 5 A 88 ILE ASN GLY ILE SER VAL ALA ASN GLN THR VAL GLU GLN SEQRES 6 A 88 LEU GLN LYS MET LEU ARG GLU MET ARG GLY SER ILE THR SEQRES 7 A 88 PHE LYS ILE VAL PRO SER TYR ARG GLU PHE SEQRES 1 B 88 ARG SER ARG LEU VAL GLN PHE GLN LYS ASN THR ASP GLU SEQRES 2 B 88 PRO MET GLY ILE THR LEU LYS MET LEU ASN HIS CYS ILE SEQRES 3 B 88 VAL ALA ARG ILE MET HIS GLY GLY MET ILE HIS ARG GLN SEQRES 4 B 88 GLY THR LEU HIS VAL GLY ASP GLU ILE ARG GLU ILE ASN SEQRES 5 B 88 GLY ILE SER VAL ALA ASN GLN THR VAL GLU GLN LEU GLN SEQRES 6 B 88 LYS MET LEU ARG GLU MET ARG GLY SER ILE THR PHE LYS SEQRES 7 B 88 ILE VAL PRO SER TYR ARG GLU PHE GLU PHE HET SO4 702 5 HET SO4 703 5 HET SO4 704 5 HETNAM SO4 SULFATE ION FORMUL 3 SO4 3(O4 S1 2-) FORMUL 4 HOH *185(H2 O1) HELIX 1 1 LEU A 510 HIS A 512 5 3 HELIX 2 2 MET A 523 GLN A 527 1 5 HELIX 3 3 VAL A 544 ASN A 546 5 3 HELIX 4 4 VAL A 549 GLU A 558 1 10 HELIX 5 5 MET B 523 GLN B 527 1 5 HELIX 6 6 VAL B 549 GLU B 558 1 10 SHEET 1 A 3 ARG A 489 LYS A 495 0 SHEET 2 A 3 GLY A 561 VAL A 568 -1 N ILE A 567 O ARG A 489 SHEET 3 A 3 GLU A 535 ILE A 539 -1 N GLU A 538 O LYS A 566 SHEET 1 B 2 ILE A 503 LYS A 506 0 SHEET 2 B 2 ILE A 514 ILE A 518 -1 N ARG A 517 O THR A 504 SHEET 1 C 3 ARG B 489 LYS B 495 0 SHEET 2 C 3 GLY B 561 VAL B 568 -1 N ILE B 567 O ARG B 489 SHEET 3 C 3 GLU B 535 ILE B 539 -1 N GLU B 538 O LYS B 566 SHEET 1 D 2 ILE B 503 LYS B 506 0 SHEET 2 D 2 ILE B 514 ILE B 518 -1 N ARG B 517 O THR B 504 CRYST1 40.800 97.000 92.000 90.00 90.00 90.00 C 2 2 21 8 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 0.024510 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010309 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010870 0.00000 MTRIX1 1 0.417572 0.546936 0.725600 -71.22180 1 MTRIX2 1 -0.782662 -0.189174 0.593004 92.48140 1 MTRIX3 1 0.461599 -0.815521 0.349072 109.06780 1 ATOM 1 N ARG A 487 9.550 91.894 21.804 1.00 42.24 N ATOM 2 CA ARG A 487 10.617 92.847 22.225 1.00 41.69 C ATOM 3 C ARG A 487 11.425 92.307 23.387 1.00 41.41 C ATOM 4 O ARG A 487 11.791 93.046 24.301 1.00 42.15 O ATOM 5 N SER A 488 11.702 91.009 23.355 1.00 41.05 N ATOM 6 CA SER A 488 12.475 90.377 24.412 1.00 40.67 C ATOM 7 C SER A 488 13.953 90.421 24.059 1.00 40.07 C ATOM 8 O SER A 488 14.360 91.075 23.098 1.00 40.54 O ATOM 9 CB SER A 488 12.040 88.922 24.599 1.00 40.47 C ATOM 10 OG SER A 488 12.334 88.150 23.449 1.00 41.09 O ATOM 11 N ARG A 489 14.751 89.711 24.841 1.00 39.07 N ATOM 12 CA ARG A 489 16.182 89.661 24.622 1.00 38.58 C ATOM 13 C ARG A 489 16.775 88.407 25.240 1.00 38.04 C ATOM 14 O ARG A 489 16.258 87.881 26.229 1.00 36.07 O ATOM 15 CB ARG A 489 16.834 90.892 25.237 1.00 40.61 C ATOM 16 CG ARG A 489 18.344 90.863 25.300 1.00 43.19 C ATOM 17 CD ARG A 489 18.778 92.040 26.129 1.00 46.56 C ATOM 18 NE ARG A 489 20.187 92.030 26.491 1.00 48.91 N ATOM 19 CZ ARG A 489 20.711 92.878 27.371 1.00 50.40 C ATOM 20 NH1 ARG A 489 19.930 93.780 27.956 1.00 51.27 N ATOM 21 NH2 ARG A 489 22.002 92.826 27.676 1.00 50.44 N ATOM 22 N LEU A 490 17.860 87.934 24.637 1.00 36.52 N ATOM 23 CA LEU A 490 18.561 86.757 25.118 1.00 36.13 C ATOM 24 C LEU A 490 19.867 87.188 25.756 1.00 36.03 C ATOM 25 O LEU A 490 20.617 87.983 25.194 1.00 36.89 O ATOM 26 CB LEU A 490 18.832 85.781 23.969 1.00 35.04 C ATOM 27 CG LEU A 490 17.600 85.072 23.401 1.00 33.97 C ATOM 28 CD1 LEU A 490 17.994 84.195 22.226 1.00 33.62 C ATOM 29 CD2 LEU A 490 16.957 84.236 24.496 1.00 33.21 C ATOM 30 N VAL A 491 20.119 86.666 26.948 1.00 36.69 N ATOM 31 CA VAL A 491 21.325 86.976 27.698 1.00 36.52 C ATOM 32 C VAL A 491 21.918 85.656 28.156 1.00 36.76 C ATOM 33 O VAL A 491 21.202 84.781 28.639 1.00 36.41 O ATOM 34 CB VAL A 491 20.998 87.852 28.927 1.00 37.17 C ATOM 35 CG1 VAL A 491 22.260 88.141 29.714 1.00 37.70 C ATOM 36 CG2 VAL A 491 20.342 89.151 28.476 1.00 36.86 C ATOM 37 N GLN A 492 23.225 85.510 28.001 1.00 36.79 N ATOM 38 CA GLN A 492 23.886 84.280 28.388 1.00 37.11 C ATOM 39 C GLN A 492 25.073 84.540 29.300 1.00 37.12 C ATOM 40 O GLN A 492 25.630 85.639 29.320 1.00 37.41 O ATOM 41 CB GLN A 492 24.327 83.546 27.121 1.00 37.32 C ATOM 42 CG GLN A 492 25.144 82.255 27.321 1.00 38.49 C ATOM 43 CD GLN A 492 26.590 82.499 27.742 1.00 40.28 C ATOM 44 OE1 GLN A 492 27.069 83.636 27.789 1.00 40.53 O ATOM 45 NE2 GLN A 492 27.303 81.412 28.027 1.00 39.36 N ATOM 46 N PHE A 493 25.440 83.527 30.074 1.00 36.91 N ATOM 47 CA PHE A 493 26.570 83.631 30.979 1.00 37.32 C ATOM 48 C PHE A 493 26.946 82.216 31.411 1.00 36.72 C ATOM 49 O PHE A 493 26.108 81.312 31.386 1.00 36.12 O ATOM 50 CB PHE A 493 26.203 84.511 32.185 1.00 39.06 C ATOM 51 CG PHE A 493 25.534 83.777 33.311 1.00 39.39 C ATOM 52 CD1 PHE A 493 26.296 83.107 34.265 1.00 40.34 C ATOM 53 CD2 PHE A 493 24.151 83.753 33.420 1.00 39.50 C ATOM 54 CE1 PHE A 493 25.689 82.427 35.315 1.00 40.68 C ATOM 55 CE2 PHE A 493 23.536 83.073 34.469 1.00 40.69 C ATOM 56 CZ PHE A 493 24.307 82.410 35.416 1.00 40.56 C ATOM 57 N GLN A 494 28.210 82.022 31.777 1.00 36.20 N ATOM 58 CA GLN A 494 28.701 80.716 32.197 1.00 36.36 C ATOM 59 C GLN A 494 28.701 80.587 33.709 1.00 37.57 C ATOM 60 O GLN A 494 29.032 81.530 34.427 1.00 37.73 O ATOM 61 CB GLN A 494 30.129 80.473 31.671 1.00 35.57 C ATOM 62 CG GLN A 494 30.244 80.376 30.172 1.00 34.52 C ATOM 63 CD GLN A 494 29.629 79.110 29.616 1.00 32.73 C ATOM 64 OE1 GLN A 494 28.856 79.158 28.672 1.00 34.20 O ATOM 65 NE2 GLN A 494 29.961 77.961 30.223 1.00 31.05 N ATOM 66 N LYS A 495 28.325 79.404 34.177 1.00 38.25 N ATOM 67 CA LYS A 495 28.299 79.101 35.599 1.00 39.41 C ATOM 68 C LYS A 495 29.118 77.825 35.766 1.00 39.63 C ATOM 69 O LYS A 495 28.581 76.771 36.098 1.00 39.13 O ATOM 70 CB LYS A 495 26.852 78.885 36.066 1.00 39.47 C ATOM 71 CG LYS A 495 26.708 78.534 37.542 1.00 40.90 C ATOM 72 CD LYS A 495 25.242 78.440 37.954 1.00 42.90 C ATOM 73 CE LYS A 495 25.090 77.912 39.376 1.00 43.91 C ATOM 74 NZ LYS A 495 25.837 78.721 40.379 1.00 44.10 N ATOM 75 N ASN A 496 30.424 77.927 35.520 1.00 40.65 N ATOM 76 CA ASN A 496 31.309 76.771 35.627 1.00 42.19 C ATOM 77 C ASN A 496 31.952 76.637 37.003 1.00 41.99 C ATOM 78 O ASN A 496 32.989 75.983 37.157 1.00 41.70 O ATOM 79 CB ASN A 496 32.423 76.805 34.564 1.00 44.36 C ATOM 80 CG ASN A 496 33.443 77.898 34.828 1.00 47.31 C ATOM 81 OD1 ASN A 496 33.426 78.948 34.183 1.00 49.94 O ATOM 82 ND2 ASN A 496 34.345 77.657 35.788 1.00 48.15 N ATOM 83 N THR A 497 31.336 77.254 38.004 1.00 41.29 N ATOM 84 CA THR A 497 31.829 77.216 39.379 1.00 40.57 C ATOM 85 C THR A 497 30.633 76.996 40.300 1.00 40.43 C ATOM 86 O THR A 497 29.493 76.956 39.836 1.00 40.35 O ATOM 87 CB THR A 497 32.516 78.545 39.755 1.00 40.99 C ATOM 88 OG1 THR A 497 31.584 79.621 39.602 1.00 40.34 O ATOM 89 CG2 THR A 497 33.725 78.795 38.859 1.00 40.78 C ATOM 90 N ASP A 498 30.885 76.850 41.598 1.00 39.91 N ATOM 91 CA ASP A 498 29.799 76.652 42.551 1.00 39.74 C ATOM 92 C ASP A 498 29.466 77.949 43.282 1.00 38.59 C ATOM 93 O ASP A 498 28.739 77.944 44.279 1.00 37.55 O ATOM 94 CB ASP A 498 30.155 75.563 43.563 1.00 41.11 C ATOM 95 CG ASP A 498 30.374 74.215 42.910 1.00 42.76 C ATOM 96 OD1 ASP A 498 29.457 73.733 42.210 1.00 43.66 O ATOM 97 OD2 ASP A 498 31.461 73.636 43.101 1.00 43.33 O ATOM 98 N GLU A 499 30.017 79.052 42.785 1.00 36.80 N ATOM 99 CA GLU A 499 29.763 80.366 43.359 1.00 35.41 C ATOM 100 C GLU A 499 28.330 80.759 43.022 1.00 33.46 C ATOM 101 O GLU A 499 27.839 80.460 41.933 1.00 33.70 O ATOM 102 CB GLU A 499 30.734 81.402 42.768 1.00 36.78 C ATOM 103 CG GLU A 499 30.223 82.847 42.829 1.00 39.49 C ATOM 104 CD GLU A 499 31.210 83.864 42.268 1.00 40.14 C ATOM 105 OE1 GLU A 499 31.748 83.634 41.162 1.00 41.25 O ATOM 106 OE2 GLU A 499 31.429 84.903 42.926 1.00 40.65 O ATOM 107 N PRO A 500 27.630 81.414 43.959 1.00 31.61 N ATOM 108 CA PRO A 500 26.253 81.821 43.678 1.00 29.56 C ATOM 109 C PRO A 500 26.268 82.801 42.509 1.00 26.78 C ATOM 110 O PRO A 500 27.300 83.390 42.204 1.00 25.90 O ATOM 111 CB PRO A 500 25.826 82.484 44.988 1.00 30.67 C ATOM 112 CG PRO A 500 26.664 81.717 46.020 1.00 32.05 C ATOM 113 CD PRO A 500 28.003 81.811 45.327 1.00 30.45 C ATOM 114 N MET A 501 25.133 82.964 41.843 1.00 25.34 N ATOM 115 CA MET A 501 25.060 83.896 40.726 1.00 23.48 C ATOM 116 C MET A 501 25.078 85.311 41.272 1.00 20.86 C ATOM 117 O MET A 501 25.467 86.245 40.589 1.00 19.86 O ATOM 118 CB MET A 501 23.775 83.684 39.934 1.00 25.63 C ATOM 119 CG MET A 501 23.697 82.359 39.215 1.00 28.15 C ATOM 120 SD MET A 501 22.090 82.160 38.445 1.00 31.55 S ATOM 121 CE MET A 501 22.009 83.623 37.435 1.00 31.54 C ATOM 122 N GLY A 502 24.652 85.459 42.518 1.00 19.74 N ATOM 123 CA GLY A 502 24.623 86.773 43.120 1.00 19.41 C ATOM 124 C GLY A 502 23.384 87.561 42.744 1.00 19.77 C ATOM 125 O GLY A 502 23.469 88.755 42.452 1.00 19.51 O ATOM 126 N ILE A 503 22.232 86.896 42.719 1.00 18.96 N ATOM 127 CA ILE A 503 20.982 87.578 42.411 1.00 19.16 C ATOM 128 C ILE A 503 19.841 87.068 43.267 1.00 17.38 C ATOM 129 O ILE A 503 19.901 85.973 43.835 1.00 17.75 O ATOM 130 CB ILE A 503 20.549 87.437 40.923 1.00 19.78 C ATOM 131 CG1 ILE A 503 20.477 85.956 40.529 1.00 22.19 C ATOM 132 CG2 ILE A 503 21.476 88.247 40.031 1.00 23.12 C ATOM 133 CD1 ILE A 503 20.000 85.717 39.109 1.00 22.16 C ATOM 134 N THR A 504 18.809 87.892 43.364 1.00 15.28 N ATOM 135 CA THR A 504 17.609 87.562 44.114 1.00 16.22 C ATOM 136 C THR A 504 16.469 87.728 43.120 1.00 15.29 C ATOM 137 O THR A 504 16.360 88.770 42.476 1.00 15.74 O ATOM 138 CB THR A 504 17.364 88.540 45.284 1.00 15.65 C ATOM 139 OG1 THR A 504 18.465 88.489 46.197 1.00 16.88 O ATOM 140 CG2 THR A 504 16.080 88.178 46.016 1.00 16.57 C ATOM 141 N LEU A 505 15.639 86.702 42.988 1.00 14.89 N ATOM 142 CA LEU A 505 14.500 86.752 42.072 1.00 15.07 C ATOM 143 C LEU A 505 13.186 86.791 42.846 1.00 16.99 C ATOM 144 O LEU A 505 13.072 86.172 43.901 1.00 16.79 O ATOM 145 CB LEU A 505 14.500 85.522 41.168 1.00 14.51 C ATOM 146 CG LEU A 505 15.739 85.313 40.296 1.00 13.77 C ATOM 147 CD1 LEU A 505 15.571 84.052 39.457 1.00 15.29 C ATOM 148 CD2 LEU A 505 15.936 86.524 39.394 1.00 12.39 C ATOM 149 N LYS A 506 12.208 87.524 42.318 1.00 18.06 N ATOM 150 CA LYS A 506 10.877 87.624 42.930 1.00 21.82 C ATOM 151 C LYS A 506 10.087 86.441 42.357 1.00 23.05 C ATOM 152 O LYS A 506 9.769 86.417 41.168 1.00 22.73 O ATOM 153 CB LYS A 506 10.217 88.956 42.547 1.00 22.74 C ATOM 154 CG LYS A 506 8.812 89.170 43.114 1.00 26.50 C ATOM 155 CD LYS A 506 8.798 89.106 44.631 1.00 28.36 C ATOM 156 CE LYS A 506 7.420 89.420 45.199 1.00 30.90 C ATOM 157 NZ LYS A 506 7.398 89.326 46.687 1.00 32.08 N ATOM 158 N MET A 507 9.782 85.476 43.222 1.00 24.78 N ATOM 159 CA MET A 507 9.101 84.224 42.861 1.00 28.35 C ATOM 160 C MET A 507 7.597 84.191 43.142 1.00 29.98 C ATOM 161 O MET A 507 6.913 83.230 42.775 1.00 32.40 O ATOM 162 CB MET A 507 9.754 83.074 43.642 1.00 27.39 C ATOM 163 CG MET A 507 11.270 83.149 43.715 1.00 28.70 C ATOM 164 SD MET A 507 12.118 82.520 42.267 1.00 30.67 S ATOM 165 CE MET A 507 11.791 80.744 42.472 1.00 30.38 C ATOM 166 N ASN A 508 7.093 85.220 43.812 1.00 31.79 N ATOM 167 CA ASN A 508 5.681 85.306 44.173 1.00 34.37 C ATOM 168 C ASN A 508 4.737 84.970 43.023 1.00 35.08 C ATOM 169 O ASN A 508 3.795 84.191 43.186 1.00 35.83 O ATOM 170 CB ASN A 508 5.376 86.704 44.709 1.00 33.48 C ATOM 171 N GLU A 509 4.993 85.562 41.864 1.00 35.99 N ATOM 172 CA GLU A 509 4.166 85.341 40.686 1.00 36.70 C ATOM 173 C GLU A 509 5.039 84.964 39.491 1.00 37.39 C ATOM 174 O GLU A 509 5.591 85.834 38.818 1.00 37.69 O ATOM 175 CB GLU A 509 3.370 86.605 40.377 1.00 37.60 C ATOM 176 N LEU A 510 5.163 83.666 39.230 1.00 37.47 N ATOM 177 CA LEU A 510 5.978 83.196 38.117 1.00 38.41 C ATOM 178 C LEU A 510 5.481 83.685 36.763 1.00 38.30 C ATOM 179 O LEU A 510 6.150 83.498 35.743 1.00 37.71 O ATOM 180 CB LEU A 510 6.089 81.668 38.151 1.00 39.45 C ATOM 181 CG LEU A 510 7.333 81.162 38.903 1.00 40.88 C ATOM 182 CD1 LEU A 510 7.583 81.989 40.155 1.00 41.72 C ATOM 183 CD2 LEU A 510 7.170 79.690 39.234 1.00 40.71 C ATOM 184 N ASN A 511 4.309 84.314 36.756 1.00 37.95 N ATOM 185 CA ASN A 511 3.767 84.874 35.528 1.00 38.22 C ATOM 186 C ASN A 511 4.677 86.045 35.166 1.00 37.27 C ATOM 187 O ASN A 511 4.797 86.424 34.001 1.00 37.91 O ATOM 188 CB ASN A 511 2.317 85.334 35.736 1.00 39.04 C ATOM 189 CG ASN A 511 2.107 86.034 37.066 1.00 40.83 C ATOM 190 OD1 ASN A 511 2.283 85.435 38.127 1.00 41.17 O ATOM 191 ND2 ASN A 511 1.719 87.304 37.017 1.00 42.15 N ATOM 192 N HIS A 512 5.323 86.606 36.184 1.00 36.02 N ATOM 193 CA HIS A 512 6.262 87.706 35.995 1.00 33.77 C ATOM 194 C HIS A 512 7.421 87.592 36.992 1.00 31.47 C ATOM 195 O HIS A 512 7.430 88.257 38.034 1.00 31.47 O ATOM 196 CB HIS A 512 5.565 89.064 36.154 1.00 36.46 C ATOM 197 CG HIS A 512 4.415 89.270 35.213 1.00 38.52 C ATOM 198 ND1 HIS A 512 3.115 88.958 35.546 1.00 39.30 N ATOM 199 CD2 HIS A 512 4.380 89.718 33.935 1.00 39.28 C ATOM 200 CE1 HIS A 512 2.326 89.207 34.514 1.00 39.73 C ATOM 201 NE2 HIS A 512 3.070 89.668 33.524 1.00 38.90 N ATOM 202 N CYS A 513 8.384 86.730 36.669 1.00 27.89 N ATOM 203 CA CYS A 513 9.559 86.515 37.511 1.00 24.80 C ATOM 204 C CYS A 513 10.507 87.693 37.338 1.00 22.44 C ATOM 205 O CYS A 513 11.090 87.876 36.270 1.00 21.95 O ATOM 206 CB CYS A 513 10.260 85.218 37.109 1.00 25.59 C ATOM 207 SG CYS A 513 11.702 84.811 38.124 1.00 24.59 S ATOM 208 N ILE A 514 10.668 88.476 38.401 1.00 20.29 N ATOM 209 CA ILE A 514 11.503 89.672 38.365 1.00 18.49 C ATOM 210 C ILE A 514 12.835 89.593 39.110 1.00 17.83 C ATOM 211 O ILE A 514 12.926 88.991 40.184 1.00 18.15 O ATOM 212 CB ILE A 514 10.730 90.880 38.958 1.00 18.41 C ATOM 213 CG1 ILE A 514 9.369 91.027 38.265 1.00 19.57 C ATOM 214 CG2 ILE A 514 11.572 92.149 38.847 1.00 16.91 C ATOM 215 CD1 ILE A 514 9.438 91.163 36.760 1.00 20.20 C ATOM 216 N VAL A 515 13.863 90.216 38.538 1.00 15.73 N ATOM 217 CA VAL A 515 15.166 90.283 39.189 1.00 14.87 C ATOM 218 C VAL A 515 14.993 91.388 40.227 1.00 14.79 C ATOM 219 O VAL A 515 14.887 92.563 39.875 1.00 16.39 O ATOM 220 CB VAL A 515 16.285 90.695 38.208 1.00 14.17 C ATOM 221 CG1 VAL A 515 17.607 90.826 38.954 1.00 11.30 C ATOM 222 CG2 VAL A 515 16.406 89.661 37.095 1.00 10.73 C ATOM 223 N ALA A 516 14.964 91.013 41.500 1.00 15.06 N ATOM 224 CA ALA A 516 14.759 91.976 42.577 1.00 16.59 C ATOM 225 C ALA A 516 16.025 92.585 43.167 1.00 16.92 C ATOM 226 O ALA A 516 15.997 93.699 43.683 1.00 18.08 O ATOM 227 CB ALA A 516 13.940 91.324 43.691 1.00 16.96 C ATOM 228 N ARG A 517 17.128 91.851 43.094 1.00 17.66 N ATOM 229 CA ARG A 517 18.393 92.315 43.634 1.00 19.12 C ATOM 230 C ARG A 517 19.567 91.678 42.907 1.00 19.00 C ATOM 231 O ARG A 517 19.463 90.561 42.387 1.00 17.43 O ATOM 232 CB ARG A 517 18.460 91.973 45.127 1.00 21.08 C ATOM 233 CG ARG A 517 19.740 92.373 45.840 1.00 24.82 C ATOM 234 CD ARG A 517 19.662 91.978 47.315 1.00 28.00 C ATOM 235 NE ARG A 517 20.902 92.254 48.037 1.00 31.86 N ATOM 236 CZ ARG A 517 21.088 91.979 49.325 1.00 33.24 C ATOM 237 NH1 ARG A 517 20.115 91.414 50.032 1.00 34.98 N ATOM 238 NH2 ARG A 517 22.249 92.256 49.907 1.00 35.21 N ATOM 239 N ILE A 518 20.680 92.401 42.870 1.00 19.65 N ATOM 240 CA ILE A 518 21.906 91.924 42.239 1.00 21.08 C ATOM 241 C ILE A 518 23.042 92.240 43.206 1.00 22.87 C ATOM 242 O ILE A 518 23.317 93.406 43.498 1.00 22.88 O ATOM 243 CB ILE A 518 22.152 92.624 40.889 1.00 21.17 C ATOM 244 CG1 ILE A 518 21.054 92.224 39.899 1.00 20.28 C ATOM 245 CG2 ILE A 518 23.529 92.256 40.347 1.00 22.41 C ATOM 246 CD1 ILE A 518 21.198 92.852 38.535 1.00 21.81 C ATOM 247 N MET A 519 23.683 91.194 43.713 1.00 23.42 N ATOM 248 CA MET A 519 24.766 91.346 44.676 1.00 26.84 C ATOM 249 C MET A 519 26.010 91.978 44.056 1.00 26.93 C ATOM 250 O MET A 519 26.601 91.438 43.122 1.00 26.38 O ATOM 251 CB MET A 519 25.096 89.979 45.283 1.00 29.94 C ATOM 252 CG MET A 519 26.100 90.001 46.419 1.00 33.74 C ATOM 253 SD MET A 519 26.186 88.390 47.242 1.00 42.49 S ATOM 254 CE MET A 519 26.688 87.306 45.877 1.00 38.19 C ATOM 255 N HIS A 520 26.385 93.140 44.583 1.00 27.63 N ATOM 256 CA HIS A 520 27.546 93.887 44.109 1.00 28.66 C ATOM 257 C HIS A 520 28.804 93.018 44.158 1.00 28.22 C ATOM 258 O HIS A 520 29.097 92.390 45.176 1.00 28.37 O ATOM 259 CB HIS A 520 27.742 95.126 44.987 1.00 29.91 C ATOM 260 CG HIS A 520 28.861 96.021 44.541 1.00 30.83 C ATOM 261 ND1 HIS A 520 28.641 97.292 44.050 1.00 32.30 N ATOM 262 CD2 HIS A 520 30.198 95.830 44.506 1.00 30.74 C ATOM 263 CE1 HIS A 520 29.799 97.842 43.731 1.00 32.57 C ATOM 264 NE2 HIS A 520 30.761 96.979 43.996 1.00 32.33 N ATOM 265 N GLY A 521 29.543 92.996 43.055 1.00 28.21 N ATOM 266 CA GLY A 521 30.761 92.209 42.993 1.00 28.28 C ATOM 267 C GLY A 521 30.479 90.764 42.638 1.00 28.96 C ATOM 268 O GLY A 521 31.399 89.991 42.354 1.00 28.18 O ATOM 269 N GLY A 522 29.199 90.401 42.651 1.00 28.19 N ATOM 270 CA GLY A 522 28.811 89.042 42.331 1.00 27.65 C ATOM 271 C GLY A 522 28.994 88.717 40.861 1.00 28.42 C ATOM 272 O GLY A 522 29.276 89.596 40.052 1.00 27.92 O ATOM 273 N MET A 523 28.813 87.445 40.520 1.00 28.85 N ATOM 274 CA MET A 523 28.965 86.969 39.153 1.00 29.69 C ATOM 275 C MET A 523 28.118 87.730 38.135 1.00 28.31 C ATOM 276 O MET A 523 28.627 88.188 37.109 1.00 26.05 O ATOM 277 CB MET A 523 28.606 85.486 39.078 1.00 32.61 C ATOM 278 CG MET A 523 28.858 84.870 37.710 1.00 37.18 C ATOM 279 SD MET A 523 28.100 83.241 37.537 1.00 42.76 S ATOM 280 CE MET A 523 28.719 82.408 38.994 1.00 41.05 C ATOM 281 N ILE A 524 26.821 87.838 38.405 1.00 27.02 N ATOM 282 CA ILE A 524 25.925 88.538 37.491 1.00 26.96 C ATOM 283 C ILE A 524 26.325 89.997 37.371 1.00 27.22 C ATOM 284 O ILE A 524 26.375 90.552 36.275 1.00 27.19 O ATOM 285 CB ILE A 524 24.462 88.477 37.971 1.00 26.75 C ATOM 286 CG1 ILE A 524 23.938 87.041 37.867 1.00 26.67 C ATOM 287 CG2 ILE A 524 23.605 89.438 37.150 1.00 24.93 C ATOM 288 CD1 ILE A 524 23.858 86.513 36.451 1.00 26.68 C ATOM 289 N HIS A 525 26.612 90.610 38.510 1.00 27.91 N ATOM 290 CA HIS A 525 26.993 92.007 38.539 1.00 30.74 C ATOM 291 C HIS A 525 28.210 92.336 37.681 1.00 31.98 C ATOM 292 O HIS A 525 28.123 93.141 36.756 1.00 31.38 O ATOM 293 CB HIS A 525 27.253 92.457 39.974 1.00 30.51 C ATOM 294 CG HIS A 525 27.751 93.862 40.075 1.00 31.49 C ATOM 295 ND1 HIS A 525 27.068 94.931 39.541 1.00 33.49 N ATOM 296 CD2 HIS A 525 28.884 94.370 40.615 1.00 32.10 C ATOM 297 CE1 HIS A 525 27.757 96.040 39.749 1.00 33.15 C ATOM 298 NE2 HIS A 525 28.862 95.725 40.398 1.00 32.92 N ATOM 299 N ARG A 526 29.348 91.721 37.973 1.00 33.35 N ATOM 300 CA ARG A 526 30.533 92.036 37.195 1.00 34.99 C ATOM 301 C ARG A 526 30.396 91.872 35.679 1.00 35.90 C ATOM 302 O ARG A 526 31.082 92.556 34.926 1.00 35.82 O ATOM 303 CB ARG A 526 31.754 91.274 37.729 1.00 35.48 C ATOM 304 CG ARG A 526 31.600 89.785 37.990 1.00 36.01 C ATOM 305 CD ARG A 526 32.955 89.238 38.430 1.00 37.12 C ATOM 306 NE ARG A 526 32.988 87.793 38.648 1.00 36.76 N ATOM 307 CZ ARG A 526 32.468 87.171 39.701 1.00 37.27 C ATOM 308 NH1 ARG A 526 31.861 87.862 40.659 1.00 36.79 N ATOM 309 NH2 ARG A 526 32.562 85.851 39.795 1.00 36.92 N ATOM 310 N GLN A 527 29.494 91.008 35.220 1.00 36.85 N ATOM 311 CA GLN A 527 29.334 90.819 33.780 1.00 37.62 C ATOM 312 C GLN A 527 28.283 91.712 33.120 1.00 37.99 C ATOM 313 O GLN A 527 28.308 91.905 31.902 1.00 38.51 O ATOM 314 CB GLN A 527 29.034 89.354 33.465 1.00 37.78 C ATOM 315 CG GLN A 527 30.067 88.408 34.045 1.00 39.76 C ATOM 316 CD GLN A 527 30.053 87.046 33.389 1.00 40.86 C ATOM 317 OE1 GLN A 527 29.022 86.375 33.336 1.00 41.64 O ATOM 318 NE2 GLN A 527 31.208 86.628 32.885 1.00 40.29 N ATOM 319 N GLY A 528 27.367 92.257 33.916 1.00 37.85 N ATOM 320 CA GLY A 528 26.333 93.126 33.375 1.00 37.67 C ATOM 321 C GLY A 528 25.257 92.382 32.607 1.00 37.69 C ATOM 322 O GLY A 528 24.569 92.951 31.762 1.00 38.12 O ATOM 323 N THR A 529 25.103 91.101 32.915 1.00 38.41 N ATOM 324 CA THR A 529 24.114 90.258 32.260 1.00 37.51 C ATOM 325 C THR A 529 22.651 90.576 32.605 1.00 36.76 C ATOM 326 O THR A 529 21.744 90.212 31.852 1.00 36.46 O ATOM 327 CB THR A 529 24.417 88.765 32.552 1.00 38.93 C ATOM 328 OG1 THR A 529 23.214 87.993 32.452 1.00 40.38 O ATOM 329 CG2 THR A 529 25.042 88.604 33.927 1.00 39.90 C ATOM 330 N LEU A 530 22.417 91.272 33.717 1.00 34.99 N ATOM 331 CA LEU A 530 21.052 91.608 34.127 1.00 32.73 C ATOM 332 C LEU A 530 20.946 92.915 34.921 1.00 31.10 C ATOM 333 O LEU A 530 21.946 93.443 35.403 1.00 31.03 O ATOM 334 CB LEU A 530 20.470 90.473 34.977 1.00 32.33 C ATOM 335 CG LEU A 530 20.293 89.076 34.372 1.00 32.58 C ATOM 336 CD1 LEU A 530 19.867 88.099 35.461 1.00 32.84 C ATOM 337 CD2 LEU A 530 19.258 89.119 33.259 1.00 32.87 C ATOM 338 N HIS A 531 19.722 93.429 35.040 1.00 28.56 N ATOM 339 CA HIS A 531 19.445 94.643 35.806 1.00 26.94 C ATOM 340 C HIS A 531 18.243 94.409 36.708 1.00 24.24 C ATOM 341 O HIS A 531 17.337 93.660 36.356 1.00 21.73 O ATOM 342 CB HIS A 531 19.102 95.834 34.908 1.00 29.90 C ATOM 343 CG HIS A 531 20.247 96.347 34.096 1.00 32.30 C ATOM 344 ND1 HIS A 531 20.696 95.716 32.955 1.00 34.53 N ATOM 345 CD2 HIS A 531 21.038 97.431 34.264 1.00 33.71 C ATOM 346 CE1 HIS A 531 21.713 96.393 32.454 1.00 35.13 C ATOM 347 NE2 HIS A 531 21.942 97.438 33.229 1.00 35.07 N ATOM 348 N VAL A 532 18.233 95.053 37.869 1.00 22.63 N ATOM 349 CA VAL A 532 17.099 94.924 38.778 1.00 20.68 C ATOM 350 C VAL A 532 15.871 95.341 37.982 1.00 19.50 C ATOM 351 O VAL A 532 15.898 96.355 37.283 1.00 20.75 O ATOM 352 CB VAL A 532 17.234 95.864 39.991 1.00 21.08 C ATOM 353 CG1 VAL A 532 15.969 95.802 40.847 1.00 20.27 C ATOM 354 CG2 VAL A 532 18.447 95.473 40.809 1.00 22.56 C ATOM 355 N GLY A 533 14.806 94.558 38.068 1.00 17.85 N ATOM 356 CA GLY A 533 13.606 94.893 37.336 1.00 18.95 C ATOM 357 C GLY A 533 13.399 94.053 36.087 1.00 19.18 C ATOM 358 O GLY A 533 12.266 93.897 35.646 1.00 18.19 O ATOM 359 N ASP A 534 14.475 93.519 35.506 1.00 18.73 N ATOM 360 CA ASP A 534 14.321 92.691 34.301 1.00 18.16 C ATOM 361 C ASP A 534 13.407 91.524 34.619 1.00 18.83 C ATOM 362 O ASP A 534 13.419 91.004 35.734 1.00 16.47 O ATOM 363 CB ASP A 534 15.651 92.094 33.815 1.00 16.97 C ATOM 364 CG ASP A 534 16.649 93.129 33.360 1.00 16.18 C ATOM 365 OD1 ASP A 534 16.249 94.253 33.007 1.00 17.94 O ATOM 366 OD2 ASP A 534 17.853 92.793 33.326 1.00 17.17 O ATOM 367 N GLU A 535 12.623 91.101 33.635 1.00 19.40 N ATOM 368 CA GLU A 535 11.733 89.963 33.827 1.00 20.62 C ATOM 369 C GLU A 535 12.365 88.770 33.120 1.00 20.44 C ATOM 370 O GLU A 535 12.781 88.873 31.970 1.00 20.53 O ATOM 371 CB GLU A 535 10.344 90.240 33.232 1.00 22.26 C ATOM 372 CG GLU A 535 9.332 89.105 33.444 1.00 25.13 C ATOM 373 CD GLU A 535 7.953 89.410 32.863 1.00 27.73 C ATOM 374 OE1 GLU A 535 7.385 90.468 33.204 1.00 29.59 O ATOM 375 OE2 GLU A 535 7.432 88.587 32.078 1.00 28.02 O ATOM 376 N ILE A 536 12.471 87.650 33.822 1.00 20.83 N ATOM 377 CA ILE A 536 13.034 86.447 33.225 1.00 20.65 C ATOM 378 C ILE A 536 11.855 85.628 32.726 1.00 20.13 C ATOM 379 O ILE A 536 10.946 85.300 33.487 1.00 20.80 O ATOM 380 CB ILE A 536 13.871 85.640 34.251 1.00 20.18 C ATOM 381 CG1 ILE A 536 15.113 86.453 34.639 1.00 20.26 C ATOM 382 CG2 ILE A 536 14.277 84.292 33.649 1.00 20.40 C ATOM 383 CD1 ILE A 536 15.973 85.815 35.714 1.00 22.64 C ATOM 384 N ARG A 537 11.863 85.346 31.428 1.00 20.28 N ATOM 385 CA ARG A 537 10.802 84.592 30.781 1.00 21.36 C ATOM 386 C ARG A 537 11.132 83.118 30.590 1.00 19.36 C ATOM 387 O ARG A 537 10.286 82.253 30.799 1.00 18.82 O ATOM 388 CB ARG A 537 10.477 85.229 29.429 1.00 24.58 C ATOM 389 CG ARG A 537 9.500 86.380 29.523 1.00 29.16 C ATOM 390 CD ARG A 537 8.179 85.827 30.004 1.00 33.62 C ATOM 391 NE ARG A 537 7.144 86.834 30.165 1.00 36.66 N ATOM 392 CZ ARG A 537 5.946 86.571 30.673 1.00 38.46 C ATOM 393 NH1 ARG A 537 5.648 85.334 31.053 1.00 38.70 N ATOM 394 NH2 ARG A 537 5.046 87.536 30.803 1.00 39.72 N ATOM 395 N GLU A 538 12.365 82.846 30.192 1.00 17.74 N ATOM 396 CA GLU A 538 12.820 81.478 29.965 1.00 18.98 C ATOM 397 C GLU A 538 14.259 81.304 30.438 1.00 18.33 C ATOM 398 O GLU A 538 15.029 82.263 30.482 1.00 18.49 O ATOM 399 CB GLU A 538 12.731 81.131 28.468 1.00 18.31 C ATOM 400 CG GLU A 538 11.333 80.792 27.946 1.00 21.65 C ATOM 401 CD GLU A 538 11.287 80.672 26.419 1.00 21.80 C ATOM 402 OE1 GLU A 538 12.285 80.216 25.820 1.00 21.04 O ATOM 403 OE2 GLU A 538 10.249 81.017 25.819 1.00 22.31 O ATOM 404 N ILE A 539 14.601 80.076 30.813 1.00 18.72 N ATOM 405 CA ILE A 539 15.948 79.727 31.249 1.00 17.70 C ATOM 406 C ILE A 539 16.295 78.497 30.412 1.00 18.98 C ATOM 407 O ILE A 539 15.692 77.445 30.579 1.00 17.90 O ATOM 408 CB ILE A 539 15.995 79.337 32.742 1.00 17.66 C ATOM 409 CG1 ILE A 539 15.365 80.444 33.591 1.00 17.98 C ATOM 410 CG2 ILE A 539 17.452 79.117 33.169 1.00 18.05 C ATOM 411 CD1 ILE A 539 15.291 80.123 35.076 1.00 18.08 C ATOM 412 N ASN A 540 17.261 78.638 29.510 1.00 20.76 N ATOM 413 CA ASN A 540 17.644 77.550 28.615 1.00 22.06 C ATOM 414 C ASN A 540 16.422 76.989 27.899 1.00 22.05 C ATOM 415 O ASN A 540 16.228 75.775 27.819 1.00 22.37 O ATOM 416 CB ASN A 540 18.368 76.422 29.360 1.00 22.58 C ATOM 417 CG ASN A 540 19.740 76.835 29.837 1.00 24.05 C ATOM 418 OD1 ASN A 540 20.403 77.652 29.203 1.00 27.26 O ATOM 419 ND2 ASN A 540 20.189 76.250 30.938 1.00 27.41 N ATOM 420 N GLY A 541 15.597 77.896 27.389 1.00 21.77 N ATOM 421 CA GLY A 541 14.404 77.510 26.659 1.00 21.39 C ATOM 422 C GLY A 541 13.224 77.027 27.477 1.00 21.93 C ATOM 423 O GLY A 541 12.187 76.688 26.910 1.00 23.09 O ATOM 424 N ILE A 542 13.361 76.991 28.799 1.00 21.10 N ATOM 425 CA ILE A 542 12.271 76.524 29.653 1.00 21.07 C ATOM 426 C ILE A 542 11.466 77.706 30.194 1.00 21.28 C ATOM 427 O ILE A 542 12.019 78.603 30.828 1.00 19.43 O ATOM 428 CB ILE A 542 12.818 75.704 30.837 1.00 20.14 C ATOM 429 CG1 ILE A 542 13.715 74.581 30.311 1.00 21.12 C ATOM 430 CG2 ILE A 542 11.664 75.123 31.642 1.00 21.45 C ATOM 431 CD1 ILE A 542 14.431 73.802 31.384 1.00 18.77 C ATOM 432 N SER A 543 10.163 77.697 29.939 1.00 21.35 N ATOM 433 CA SER A 543 9.285 78.773 30.391 1.00 23.92 C ATOM 434 C SER A 543 9.143 78.823 31.903 1.00 23.88 C ATOM 435 O SER A 543 8.747 77.845 32.531 1.00 23.91 O ATOM 436 CB SER A 543 7.898 78.625 29.760 1.00 25.85 C ATOM 437 OG SER A 543 6.979 79.549 30.329 1.00 27.22 O ATOM 438 N VAL A 544 9.466 79.976 32.480 1.00 24.73 N ATOM 439 CA VAL A 544 9.366 80.164 33.917 1.00 26.22 C ATOM 440 C VAL A 544 7.911 80.143 34.389 1.00 27.34 C ATOM 441 O VAL A 544 7.621 79.733 35.512 1.00 26.71 O ATOM 442 CB VAL A 544 10.003 81.502 34.344 1.00 26.92 C ATOM 443 CG1 VAL A 544 9.732 81.766 35.822 1.00 28.85 C ATOM 444 CG2 VAL A 544 11.504 81.459 34.095 1.00 28.42 C ATOM 445 N ALA A 545 6.995 80.585 33.533 1.00 29.23 N ATOM 446 CA ALA A 545 5.583 80.618 33.902 1.00 31.77 C ATOM 447 C ALA A 545 4.977 79.224 34.138 1.00 34.14 C ATOM 448 O ALA A 545 3.961 79.117 34.823 1.00 34.60 O ATOM 449 CB ALA A 545 4.790 81.356 32.840 1.00 32.07 C ATOM 450 N ASN A 546 5.590 78.183 33.586 1.00 35.95 N ATOM 451 CA ASN A 546 5.086 76.829 33.724 1.00 38.21 C ATOM 452 C ASN A 546 5.753 75.997 34.821 1.00 38.63 C ATOM 453 O ASN A 546 5.468 74.813 34.962 1.00 39.68 O ATOM 454 CB ASN A 546 5.238 76.105 32.384 1.00 39.53 C ATOM 455 CG ASN A 546 4.420 76.755 31.290 1.00 41.86 C ATOM 456 OD1 ASN A 546 4.908 76.890 30.159 1.00 44.03 O ATOM 457 ND2 ASN A 546 3.190 77.149 31.593 1.00 41.57 N ATOM 458 N GLN A 547 6.621 76.619 35.604 1.00 39.31 N ATOM 459 CA GLN A 547 7.309 75.912 36.685 1.00 39.78 C ATOM 460 C GLN A 547 6.742 76.308 38.038 1.00 39.96 C ATOM 461 O GLN A 547 5.958 77.251 38.127 1.00 39.00 O ATOM 462 CB GLN A 547 8.808 76.230 36.676 1.00 41.26 C ATOM 463 CG GLN A 547 9.526 75.910 35.385 1.00 42.89 C ATOM 464 CD GLN A 547 9.408 74.449 35.012 1.00 45.03 C ATOM 465 OE1 GLN A 547 8.326 73.968 34.671 1.00 46.32 O ATOM 466 NE2 GLN A 547 10.521 73.727 35.088 1.00 45.66 N ATOM 467 N THR A 548 7.135 75.579 39.081 1.00 39.46 N ATOM 468 CA THR A 548 6.705 75.887 40.440 1.00 39.44 C ATOM 469 C THR A 548 7.935 76.497 41.093 1.00 39.69 C ATOM 470 O THR A 548 9.054 76.273 40.626 1.00 39.54 O ATOM 471 CB THR A 548 6.313 74.620 41.227 1.00 39.60 C ATOM 472 OG1 THR A 548 7.450 73.758 41.340 1.00 38.52 O ATOM 473 CG2 THR A 548 5.182 73.883 40.529 1.00 40.07 C ATOM 474 N VAL A 549 7.746 77.264 42.161 1.00 38.94 N ATOM 475 CA VAL A 549 8.889 77.877 42.822 1.00 38.72 C ATOM 476 C VAL A 549 9.924 76.817 43.165 1.00 38.57 C ATOM 477 O VAL A 549 11.122 77.022 42.978 1.00 38.09 O ATOM 478 CB VAL A 549 8.470 78.614 44.104 1.00 38.35 C ATOM 479 CG1 VAL A 549 9.695 79.148 44.821 1.00 38.48 C ATOM 480 CG2 VAL A 549 7.531 79.756 43.754 1.00 38.30 C ATOM 481 N GLU A 550 9.454 75.676 43.656 1.00 39.11 N ATOM 482 CA GLU A 550 10.346 74.586 44.011 1.00 39.70 C ATOM 483 C GLU A 550 11.137 74.155 42.783 1.00 39.28 C ATOM 484 O GLU A 550 12.364 74.029 42.834 1.00 38.79 O ATOM 485 CB GLU A 550 9.553 73.398 44.550 1.00 41.09 C ATOM 486 CG GLU A 550 10.439 72.262 44.985 1.00 43.67 C ATOM 487 CD GLU A 550 11.507 72.736 45.940 1.00 44.41 C ATOM 488 OE1 GLU A 550 11.145 73.297 46.993 1.00 45.42 O ATOM 489 OE2 GLU A 550 12.704 72.558 45.634 1.00 45.93 O ATOM 490 N GLN A 551 10.427 73.933 41.680 1.00 38.06 N ATOM 491 CA GLN A 551 11.068 73.529 40.437 1.00 37.72 C ATOM 492 C GLN A 551 12.051 74.593 39.949 1.00 36.67 C ATOM 493 O GLN A 551 13.188 74.275 39.596 1.00 36.44 O ATOM 494 CB GLN A 551 10.016 73.255 39.353 1.00 37.75 C ATOM 495 CG GLN A 551 9.091 72.083 39.664 1.00 38.70 C ATOM 496 CD GLN A 551 8.084 71.811 38.556 1.00 39.25 C ATOM 497 OE1 GLN A 551 7.258 72.663 38.224 1.00 38.64 O ATOM 498 NE2 GLN A 551 8.150 70.614 37.979 1.00 39.45 N ATOM 499 N LEU A 552 11.620 75.853 39.933 1.00 35.25 N ATOM 500 CA LEU A 552 12.490 76.935 39.476 1.00 34.01 C ATOM 501 C LEU A 552 13.695 77.061 40.399 1.00 33.30 C ATOM 502 O LEU A 552 14.829 77.228 39.945 1.00 32.03 O ATOM 503 CB LEU A 552 11.725 78.263 39.441 1.00 33.96 C ATOM 504 CG LEU A 552 12.469 79.462 38.837 1.00 33.77 C ATOM 505 CD1 LEU A 552 12.821 79.170 37.381 1.00 33.02 C ATOM 506 CD2 LEU A 552 11.593 80.705 38.923 1.00 34.21 C ATOM 507 N GLN A 553 13.434 76.972 41.699 1.00 32.81 N ATOM 508 CA GLN A 553 14.469 77.067 42.717 1.00 32.22 C ATOM 509 C GLN A 553 15.569 76.037 42.481 1.00 31.35 C ATOM 510 O GLN A 553 16.732 76.389 42.300 1.00 30.82 O ATOM 511 CB GLN A 553 13.860 76.826 44.098 1.00 33.16 C ATOM 512 CG GLN A 553 14.819 77.029 45.248 1.00 32.75 C ATOM 513 CD GLN A 553 14.248 76.523 46.555 1.00 33.88 C ATOM 514 OE1 GLN A 553 14.423 75.355 46.918 1.00 34.46 O ATOM 515 NE2 GLN A 553 13.529 77.388 47.254 1.00 33.25 N ATOM 516 N LYS A 554 15.196 74.761 42.511 1.00 31.87 N ATOM 517 CA LYS A 554 16.164 73.689 42.298 1.00 32.94 C ATOM 518 C LYS A 554 16.867 73.830 40.961 1.00 31.76 C ATOM 519 O LYS A 554 18.092 73.768 40.882 1.00 32.05 O ATOM 520 CB LYS A 554 15.491 72.317 42.361 1.00 34.43 C ATOM 521 CG LYS A 554 15.360 71.733 43.754 1.00 35.70 C ATOM 522 CD LYS A 554 14.943 70.278 43.666 1.00 36.48 C ATOM 523 CE LYS A 554 15.008 69.583 45.009 1.00 38.02 C ATOM 524 NZ LYS A 554 14.682 68.135 44.862 1.00 39.86 N ATOM 525 N MET A 555 16.072 74.023 39.917 1.00 31.71 N ATOM 526 CA MET A 555 16.566 74.182 38.556 1.00 31.56 C ATOM 527 C MET A 555 17.751 75.147 38.458 1.00 30.17 C ATOM 528 O MET A 555 18.852 74.759 38.061 1.00 29.59 O ATOM 529 CB MET A 555 15.403 74.654 37.690 1.00 34.70 C ATOM 530 CG MET A 555 15.705 74.905 36.240 1.00 38.05 C ATOM 531 SD MET A 555 14.166 75.313 35.405 1.00 41.62 S ATOM 532 CE MET A 555 14.768 75.817 33.834 1.00 41.02 C ATOM 533 N LEU A 556 17.519 76.403 38.828 1.00 28.72 N ATOM 534 CA LEU A 556 18.552 77.431 38.796 1.00 27.03 C ATOM 535 C LEU A 556 19.794 77.104 39.613 1.00 27.07 C ATOM 536 O LEU A 556 20.918 77.331 39.168 1.00 26.67 O ATOM 537 CB LEU A 556 17.979 78.761 39.295 1.00 28.90 C ATOM 538 CG LEU A 556 17.387 79.734 38.278 1.00 30.48 C ATOM 539 CD1 LEU A 556 16.554 80.792 38.980 1.00 30.91 C ATOM 540 CD2 LEU A 556 18.526 80.368 37.486 1.00 29.74 C ATOM 541 N ARG A 557 19.597 76.579 40.815 1.00 25.10 N ATOM 542 CA ARG A 557 20.728 76.272 41.669 1.00 25.71 C ATOM 543 C ARG A 557 21.560 75.078 41.238 1.00 25.12 C ATOM 544 O ARG A 557 22.757 75.030 41.518 1.00 24.23 O ATOM 545 CB ARG A 557 20.256 76.093 43.112 1.00 26.79 C ATOM 546 CG ARG A 557 19.732 77.392 43.706 1.00 27.02 C ATOM 547 CD ARG A 557 19.271 77.216 45.140 1.00 26.05 C ATOM 548 NE ARG A 557 18.741 78.467 45.671 1.00 25.53 N ATOM 549 CZ ARG A 557 18.243 78.609 46.892 1.00 26.62 C ATOM 550 NH1 ARG A 557 18.213 77.573 47.722 1.00 26.99 N ATOM 551 NH2 ARG A 557 17.780 79.785 47.286 1.00 25.71 N ATOM 552 N GLU A 558 20.936 74.134 40.537 1.00 26.03 N ATOM 553 CA GLU A 558 21.637 72.934 40.099 1.00 25.47 C ATOM 554 C GLU A 558 22.320 73.082 38.740 1.00 24.35 C ATOM 555 O GLU A 558 23.208 72.302 38.403 1.00 22.57 O ATOM 556 CB GLU A 558 20.662 71.751 40.082 1.00 26.90 C ATOM 557 CG GLU A 558 19.853 71.647 41.370 1.00 30.82 C ATOM 558 CD GLU A 558 19.079 70.347 41.509 1.00 31.94 C ATOM 559 OE1 GLU A 558 18.397 69.938 40.542 1.00 32.96 O ATOM 560 OE2 GLU A 558 19.141 69.745 42.605 1.00 32.82 O ATOM 561 N MET A 559 21.920 74.090 37.969 1.00 23.82 N ATOM 562 CA MET A 559 22.509 74.315 36.653 1.00 24.16 C ATOM 563 C MET A 559 23.972 74.728 36.669 1.00 23.85 C ATOM 564 O MET A 559 24.401 75.527 37.499 1.00 24.03 O ATOM 565 CB MET A 559 21.726 75.376 35.876 1.00 23.60 C ATOM 566 CG MET A 559 20.354 74.946 35.426 1.00 26.68 C ATOM 567 SD MET A 559 19.502 76.279 34.561 1.00 27.89 S ATOM 568 CE MET A 559 18.054 75.409 34.009 1.00 29.63 C ATOM 569 N ARG A 560 24.720 74.177 35.719 1.00 23.80 N ATOM 570 CA ARG A 560 26.136 74.465 35.531 1.00 22.50 C ATOM 571 C ARG A 560 26.371 74.515 34.031 1.00 22.57 C ATOM 572 O ARG A 560 25.653 73.876 33.261 1.00 21.49 O ATOM 573 CB ARG A 560 27.008 73.370 36.143 1.00 23.75 C ATOM 574 CG ARG A 560 26.986 73.316 37.648 1.00 24.23 C ATOM 575 CD ARG A 560 27.687 74.521 38.263 1.00 26.39 C ATOM 576 NE ARG A 560 27.622 74.454 39.718 1.00 26.48 N ATOM 577 CZ ARG A 560 26.495 74.550 40.414 1.00 27.92 C ATOM 578 NH1 ARG A 560 25.340 74.718 39.784 1.00 28.43 N ATOM 579 NH2 ARG A 560 26.517 74.456 41.737 1.00 26.78 N ATOM 580 N GLY A 561 27.376 75.273 33.613 1.00 22.70 N ATOM 581 CA GLY A 561 27.656 75.380 32.197 1.00 23.40 C ATOM 582 C GLY A 561 27.028 76.640 31.642 1.00 25.15 C ATOM 583 O GLY A 561 26.903 77.641 32.351 1.00 25.97 O ATOM 584 N SER A 562 26.622 76.598 30.380 1.00 25.24 N ATOM 585 CA SER A 562 26.020 77.765 29.758 1.00 27.60 C ATOM 586 C SER A 562 24.570 77.938 30.186 1.00 27.09 C ATOM 587 O SER A 562 23.780 76.998 30.151 1.00 28.03 O ATOM 588 CB SER A 562 26.101 77.657 28.232 1.00 27.69 C ATOM 589 OG SER A 562 25.641 78.845 27.609 1.00 32.64 O ATOM 590 N ILE A 563 24.235 79.153 30.602 1.00 27.13 N ATOM 591 CA ILE A 563 22.885 79.469 31.025 1.00 25.99 C ATOM 592 C ILE A 563 22.382 80.650 30.216 1.00 25.70 C ATOM 593 O ILE A 563 23.005 81.711 30.186 1.00 26.05 O ATOM 594 CB ILE A 563 22.836 79.806 32.530 1.00 25.98 C ATOM 595 CG1 ILE A 563 23.325 78.602 33.334 1.00 25.24 C ATOM 596 CG2 ILE A 563 21.418 80.198 32.938 1.00 23.70 C ATOM 597 CD1 ILE A 563 23.278 78.785 34.834 1.00 27.01 C ATOM 598 N THR A 564 21.257 80.459 29.542 1.00 25.81 N ATOM 599 CA THR A 564 20.681 81.524 28.740 1.00 25.61 C ATOM 600 C THR A 564 19.324 81.949 29.257 1.00 24.62 C ATOM 601 O THR A 564 18.435 81.119 29.457 1.00 23.30 O ATOM 602 CB THR A 564 20.533 81.109 27.267 1.00 25.45 C ATOM 603 OG1 THR A 564 21.832 80.977 26.678 1.00 25.16 O ATOM 604 CG2 THR A 564 19.718 82.145 26.507 1.00 25.78 C ATOM 605 N PHE A 565 19.176 83.252 29.478 1.00 24.65 N ATOM 606 CA PHE A 565 17.921 83.797 29.961 1.00 24.01 C ATOM 607 C PHE A 565 17.218 84.587 28.864 1.00 24.86 C ATOM 608 O PHE A 565 17.846 85.377 28.159 1.00 25.53 O ATOM 609 CB PHE A 565 18.141 84.747 31.148 1.00 24.38 C ATOM 610 CG PHE A 565 18.732 84.098 32.369 1.00 24.66 C ATOM 611 CD1 PHE A 565 17.951 83.300 33.194 1.00 25.28 C ATOM 612 CD2 PHE A 565 20.060 84.319 32.714 1.00 26.28 C ATOM 613 CE1 PHE A 565 18.479 82.731 34.353 1.00 25.51 C ATOM 614 CE2 PHE A 565 20.598 83.757 33.869 1.00 25.59 C ATOM 615 CZ PHE A 565 19.805 82.963 34.692 1.00 24.40 C ATOM 616 N LYS A 566 15.917 84.366 28.716 1.00 23.98 N ATOM 617 CA LYS A 566 15.130 85.124 27.757 1.00 24.18 C ATOM 618 C LYS A 566 14.497 86.162 28.672 1.00 22.81 C ATOM 619 O LYS A 566 13.705 85.822 29.548 1.00 21.24 O ATOM 620 CB LYS A 566 14.041 84.263 27.125 1.00 24.86 C ATOM 621 CG LYS A 566 13.143 85.027 26.157 1.00 26.53 C ATOM 622 CD LYS A 566 12.012 84.144 25.658 1.00 28.00 C ATOM 623 CE LYS A 566 11.098 84.893 24.705 1.00 29.96 C ATOM 624 NZ LYS A 566 11.815 85.321 23.478 1.00 32.00 N ATOM 625 N ILE A 567 14.846 87.425 28.485 1.00 22.70 N ATOM 626 CA ILE A 567 14.306 88.447 29.367 1.00 21.69 C ATOM 627 C ILE A 567 13.591 89.605 28.700 1.00 23.42 C ATOM 628 O ILE A 567 13.715 89.836 27.492 1.00 23.59 O ATOM 629 CB ILE A 567 15.411 89.076 30.224 1.00 21.07 C ATOM 630 CG1 ILE A 567 16.374 89.850 29.321 1.00 20.29 C ATOM 631 CG2 ILE A 567 16.158 87.999 31.003 1.00 18.57 C ATOM 632 CD1 ILE A 567 17.334 90.753 30.059 1.00 18.51 C ATOM 633 N VAL A 568 12.830 90.322 29.519 1.00 22.07 N ATOM 634 CA VAL A 568 12.137 91.521 29.088 1.00 21.75 C ATOM 635 C VAL A 568 12.877 92.572 29.899 1.00 21.42 C ATOM 636 O VAL A 568 12.660 92.701 31.109 1.00 19.57 O ATOM 637 CB VAL A 568 10.650 91.525 29.485 1.00 22.54 C ATOM 638 CG1 VAL A 568 10.010 92.847 29.061 1.00 24.47 C ATOM 639 CG2 VAL A 568 9.929 90.358 28.827 1.00 22.35 C ATOM 640 N PRO A 569 13.798 93.303 29.252 1.00 21.44 N ATOM 641 CA PRO A 569 14.610 94.355 29.867 1.00 21.29 C ATOM 642 C PRO A 569 13.746 95.451 30.479 1.00 20.87 C ATOM 643 O PRO A 569 12.716 95.828 29.924 1.00 19.93 O ATOM 644 CB PRO A 569 15.461 94.846 28.697 1.00 21.73 C ATOM 645 CG PRO A 569 14.543 94.596 27.510 1.00 23.28 C ATOM 646 CD PRO A 569 14.142 93.184 27.826 1.00 22.20 C ATOM 647 N SER A 570 14.169 95.953 31.631 1.00 20.04 N ATOM 648 CA SER A 570 13.415 96.990 32.319 1.00 19.33 C ATOM 649 C SER A 570 13.943 98.397 32.041 1.00 18.62 C ATOM 650 O SER A 570 13.185 99.365 32.105 1.00 18.34 O ATOM 651 CB SER A 570 13.423 96.721 33.823 1.00 18.67 C ATOM 652 OG SER A 570 14.750 96.693 34.314 1.00 20.10 O ATOM 653 N TYR A 571 15.234 98.510 31.740 1.00 17.96 N ATOM 654 CA TYR A 571 15.834 99.815 31.448 1.00 19.59 C ATOM 655 C TYR A 571 15.830 100.112 29.953 1.00 20.07 C ATOM 656 O TYR A 571 16.269 99.289 29.152 1.00 18.49 O ATOM 657 CB TYR A 571 17.286 99.890 31.943 1.00 21.35 C ATOM 658 CG TYR A 571 17.470 99.997 33.443 1.00 23.26 C ATOM 659 CD1 TYR A 571 17.050 98.979 34.296 1.00 23.82 C ATOM 660 CD2 TYR A 571 18.105 101.110 34.004 1.00 24.50 C ATOM 661 CE1 TYR A 571 17.259 99.060 35.669 1.00 24.92 C ATOM 662 CE2 TYR A 571 18.319 101.199 35.384 1.00 25.67 C ATOM 663 CZ TYR A 571 17.893 100.170 36.206 1.00 25.45 C ATOM 664 OH TYR A 571 18.100 100.241 37.568 1.00 26.30 O ATOM 665 N ARG A 572 15.351 101.299 29.590 1.00 18.72 N ATOM 666 CA ARG A 572 15.301 101.717 28.192 1.00 21.10 C ATOM 667 C ARG A 572 15.750 103.174 28.090 1.00 22.07 C ATOM 668 O ARG A 572 15.367 104.002 28.916 1.00 20.35 O ATOM 669 CB ARG A 572 13.874 101.593 27.639 1.00 23.14 C ATOM 670 CG ARG A 572 13.326 100.170 27.523 1.00 26.13 C ATOM 671 CD ARG A 572 14.149 99.338 26.543 1.00 29.62 C ATOM 672 NE ARG A 572 13.484 98.089 26.171 1.00 32.30 N ATOM 673 CZ ARG A 572 14.001 97.185 25.344 1.00 33.11 C ATOM 674 NH1 ARG A 572 15.193 97.390 24.797 1.00 35.42 N ATOM 675 NH2 ARG A 572 13.322 96.086 25.046 1.00 34.01 N ATOM 676 N GLU A 573 16.566 103.485 27.088 1.00 22.83 N ATOM 677 CA GLU A 573 17.030 104.854 26.906 1.00 24.57 C ATOM 678 C GLU A 573 16.186 105.583 25.867 1.00 24.32 C ATOM 679 O GLU A 573 15.743 104.988 24.873 1.00 21.08 O ATOM 680 CB GLU A 573 18.504 104.877 26.503 1.00 27.84 C ATOM 681 CG GLU A 573 19.447 104.456 27.621 1.00 30.68 C ATOM 682 CD GLU A 573 20.891 104.407 27.168 1.00 33.92 C ATOM 683 OE1 GLU A 573 21.185 103.645 26.222 1.00 35.83 O ATOM 684 OE2 GLU A 573 21.734 105.119 27.755 1.00 35.01 O ATOM 685 N PHE A 574 15.966 106.872 26.120 1.00 23.22 N ATOM 686 CA PHE A 574 15.156 107.723 25.252 1.00 23.61 C ATOM 687 C PHE A 574 15.866 109.038 24.940 1.00 22.41 C ATOM 688 O PHE A 574 15.508 109.650 23.918 1.00 21.55 O ATOM 689 CB PHE A 574 13.813 108.044 25.909 1.00 25.42 C ATOM 690 CG PHE A 574 13.057 106.838 26.371 1.00 26.86 C ATOM 691 CD1 PHE A 574 13.542 106.050 27.408 1.00 27.17 C ATOM 692 CD2 PHE A 574 11.857 106.490 25.772 1.00 29.84 C ATOM 693 CE1 PHE A 574 12.845 104.935 27.844 1.00 28.91 C ATOM 694 CE2 PHE A 574 11.149 105.375 26.201 1.00 31.01 C ATOM 695 CZ PHE A 574 11.645 104.593 27.241 1.00 28.89 C ATOM 696 OXT PHE A 574 16.726 109.461 25.744 1.00 21.93 O TER 697 PHE A 574 ATOM 698 N ARG B 487 3.574 78.829 45.566 1.00 33.97 N ATOM 699 CA ARG B 487 2.417 78.340 46.376 1.00 31.94 C ATOM 700 C ARG B 487 2.734 78.427 47.857 1.00 31.64 C ATOM 701 O ARG B 487 3.876 78.180 48.258 1.00 31.80 O ATOM 702 N SER B 488 1.739 78.759 48.676 1.00 30.08 N ATOM 703 CA SER B 488 1.981 78.881 50.109 1.00 28.95 C ATOM 704 C SER B 488 2.188 77.552 50.818 1.00 27.43 C ATOM 705 O SER B 488 1.764 76.490 50.344 1.00 26.62 O ATOM 706 CB SER B 488 0.846 79.647 50.791 1.00 29.92 C ATOM 707 OG SER B 488 -0.333 78.874 50.870 1.00 34.75 O ATOM 708 N ARG B 489 2.835 77.631 51.977 1.00 24.27 N ATOM 709 CA ARG B 489 3.137 76.459 52.773 1.00 23.82 C ATOM 710 C ARG B 489 2.794 76.751 54.227 1.00 22.46 C ATOM 711 O ARG B 489 2.842 77.905 54.668 1.00 20.29 O ATOM 712 CB ARG B 489 4.619 76.141 52.641 1.00 25.21 C ATOM 713 CG ARG B 489 5.057 76.095 51.184 1.00 29.94 C ATOM 714 CD ARG B 489 6.551 76.258 51.039 1.00 33.19 C ATOM 715 NE ARG B 489 6.925 76.456 49.640 1.00 36.80 N ATOM 716 CZ ARG B 489 8.172 76.634 49.219 1.00 37.43 C ATOM 717 NH1 ARG B 489 9.172 76.637 50.091 1.00 38.01 N ATOM 718 NH2 ARG B 489 8.420 76.814 47.929 1.00 38.11 N ATOM 719 N LEU B 490 2.443 75.701 54.958 1.00 21.29 N ATOM 720 CA LEU B 490 2.096 75.820 56.365 1.00 19.88 C ATOM 721 C LEU B 490 3.192 75.066 57.110 1.00 19.08 C ATOM 722 O LEU B 490 3.156 73.842 57.244 1.00 19.48 O ATOM 723 CB LEU B 490 0.721 75.201 56.625 1.00 20.77 C ATOM 724 CG LEU B 490 -0.052 75.839 57.781 1.00 23.83 C ATOM 725 CD1 LEU B 490 -0.253 77.318 57.462 1.00 23.53 C ATOM 726 CD2 LEU B 490 -1.399 75.157 57.976 1.00 24.93 C ATOM 727 N VAL B 491 4.172 75.825 57.581 1.00 17.46 N ATOM 728 CA VAL B 491 5.335 75.302 58.281 1.00 16.03 C ATOM 729 C VAL B 491 5.180 75.264 59.801 1.00 16.02 C ATOM 730 O VAL B 491 5.039 76.299 60.438 1.00 15.31 O ATOM 731 CB VAL B 491 6.581 76.152 57.938 1.00 14.43 C ATOM 732 CG1 VAL B 491 7.807 75.604 58.637 1.00 15.81 C ATOM 733 CG2 VAL B 491 6.779 76.174 56.425 1.00 16.08 C ATOM 734 N GLN B 492 5.235 74.064 60.369 1.00 15.05 N ATOM 735 CA GLN B 492 5.115 73.892 61.812 1.00 15.63 C ATOM 736 C GLN B 492 6.456 73.537 62.431 1.00 16.42 C ATOM 737 O GLN B 492 7.317 72.934 61.784 1.00 16.38 O ATOM 738 CB GLN B 492 4.107 72.780 62.147 1.00 17.03 C ATOM 739 CG GLN B 492 3.913 72.488 63.648 1.00 17.30 C ATOM 740 CD GLN B 492 5.025 71.646 64.285 1.00 17.74 C ATOM 741 OE1 GLN B 492 5.047 71.458 65.505 1.00 19.04 O ATOM 742 NE2 GLN B 492 5.932 71.122 63.467 1.00 18.49 N ATOM 743 N PHE B 493 6.628 73.925 63.686 1.00 14.58 N ATOM 744 CA PHE B 493 7.837 73.598 64.413 1.00 16.53 C ATOM 745 C PHE B 493 7.548 73.799 65.890 1.00 17.97 C ATOM 746 O PHE B 493 6.633 74.541 66.260 1.00 18.45 O ATOM 747 CB PHE B 493 9.041 74.432 63.916 1.00 15.08 C ATOM 748 CG PHE B 493 8.956 75.912 64.200 1.00 14.60 C ATOM 749 CD1 PHE B 493 9.357 76.429 65.426 1.00 15.87 C ATOM 750 CD2 PHE B 493 8.517 76.793 63.215 1.00 14.77 C ATOM 751 CE1 PHE B 493 9.332 77.806 65.664 1.00 14.57 C ATOM 752 CE2 PHE B 493 8.487 78.165 63.440 1.00 15.27 C ATOM 753 CZ PHE B 493 8.897 78.671 64.674 1.00 15.17 C ATOM 754 N GLN B 494 8.288 73.085 66.727 1.00 19.42 N ATOM 755 CA GLN B 494 8.117 73.168 68.168 1.00 20.18 C ATOM 756 C GLN B 494 9.121 74.118 68.788 1.00 19.51 C ATOM 757 O GLN B 494 10.311 74.059 68.490 1.00 20.38 O ATOM 758 CB GLN B 494 8.293 71.785 68.813 1.00 21.61 C ATOM 759 CG GLN B 494 7.095 70.847 68.723 1.00 24.22 C ATOM 760 CD GLN B 494 5.920 71.300 69.578 1.00 23.17 C ATOM 761 OE1 GLN B 494 6.059 71.527 70.784 1.00 25.18 O ATOM 762 NE2 GLN B 494 4.755 71.414 68.963 1.00 25.71 N ATOM 763 N LYS B 495 8.639 75.004 69.646 1.00 18.93 N ATOM 764 CA LYS B 495 9.529 75.926 70.338 1.00 20.50 C ATOM 765 C LYS B 495 9.101 75.883 71.795 1.00 19.84 C ATOM 766 O LYS B 495 8.158 76.556 72.188 1.00 19.85 O ATOM 767 CB LYS B 495 9.407 77.354 69.804 1.00 21.20 C ATOM 768 CG LYS B 495 10.561 78.234 70.279 1.00 22.78 C ATOM 769 CD LYS B 495 10.449 79.682 69.835 1.00 25.60 C ATOM 770 CE LYS B 495 11.769 80.420 70.084 1.00 27.65 C ATOM 771 NZ LYS B 495 12.300 80.262 71.467 1.00 25.20 N ATOM 772 N ASN B 496 9.800 75.077 72.584 1.00 20.25 N ATOM 773 CA ASN B 496 9.483 74.909 73.999 1.00 20.52 C ATOM 774 C ASN B 496 10.377 75.682 74.947 1.00 21.85 C ATOM 775 O ASN B 496 10.088 75.755 76.146 1.00 20.72 O ATOM 776 CB ASN B 496 9.576 73.431 74.368 1.00 21.81 C ATOM 777 CG ASN B 496 8.610 72.573 73.589 1.00 22.05 C ATOM 778 OD1 ASN B 496 8.921 71.431 73.258 1.00 25.99 O ATOM 779 ND2 ASN B 496 7.422 73.100 73.317 1.00 20.65 N ATOM 780 N THR B 497 11.460 76.260 74.431 1.00 20.92 N ATOM 781 CA THR B 497 12.384 76.986 75.296 1.00 21.19 C ATOM 782 C THR B 497 12.633 78.410 74.855 1.00 21.22 C ATOM 783 O THR B 497 11.991 78.920 73.938 1.00 20.23 O ATOM 784 CB THR B 497 13.756 76.299 75.347 1.00 21.01 C ATOM 785 OG1 THR B 497 14.378 76.392 74.058 1.00 22.28 O ATOM 786 CG2 THR B 497 13.601 74.835 75.714 1.00 22.12 C ATOM 787 N ASP B 498 13.592 79.045 75.517 1.00 19.21 N ATOM 788 CA ASP B 498 13.937 80.408 75.187 1.00 19.87 C ATOM 789 C ASP B 498 15.044 80.433 74.131 1.00 16.77 C ATOM 790 O ASP B 498 15.640 81.469 73.876 1.00 17.57 O ATOM 791 CB ASP B 498 14.398 81.155 76.436 1.00 22.97 C ATOM 792 CG ASP B 498 14.484 82.647 76.206 1.00 27.35 C ATOM 793 OD1 ASP B 498 13.428 83.253 75.910 1.00 29.36 O ATOM 794 OD2 ASP B 498 15.598 83.211 76.312 1.00 30.39 O ATOM 795 N GLU B 499 15.309 79.286 73.521 1.00 16.21 N ATOM 796 CA GLU B 499 16.342 79.190 72.486 1.00 14.61 C ATOM 797 C GLU B 499 16.066 80.144 71.331 1.00 13.96 C ATOM 798 O GLU B 499 14.954 80.196 70.800 1.00 13.71 O ATOM 799 CB GLU B 499 16.430 77.757 71.936 1.00 13.13 C ATOM 800 CG GLU B 499 17.290 77.637 70.658 1.00 15.01 C ATOM 801 CD GLU B 499 17.467 76.197 70.178 1.00 15.85 C ATOM 802 OE1 GLU B 499 16.503 75.421 70.266 1.00 16.34 O ATOM 803 OE2 GLU B 499 18.561 75.852 69.688 1.00 15.12 O ATOM 804 N PRO B 500 17.074 80.928 70.930 1.00 13.81 N ATOM 805 CA PRO B 500 16.820 81.841 69.817 1.00 13.71 C ATOM 806 C PRO B 500 16.460 81.058 68.552 1.00 12.56 C ATOM 807 O PRO B 500 16.895 79.912 68.371 1.00 10.24 O ATOM 808 CB PRO B 500 18.147 82.602 69.699 1.00 14.81 C ATOM 809 CG PRO B 500 19.155 81.584 70.185 1.00 17.46 C ATOM 810 CD PRO B 500 18.445 81.109 71.436 1.00 13.94 C ATOM 811 N MET B 501 15.638 81.649 67.691 1.00 10.21 N ATOM 812 CA MET B 501 15.278 80.967 66.448 1.00 12.04 C ATOM 813 C MET B 501 16.468 80.987 65.486 1.00 11.98 C ATOM 814 O MET B 501 16.575 80.147 64.592 1.00 12.10 O ATOM 815 CB MET B 501 14.077 81.645 65.787 1.00 12.97 C ATOM 816 CG MET B 501 12.784 81.493 66.569 1.00 15.56 C ATOM 817 SD MET B 501 11.372 82.284 65.774 1.00 21.58 S ATOM 818 CE MET B 501 11.341 81.486 64.191 1.00 21.88 C ATOM 819 N GLY B 502 17.355 81.957 65.671 1.00 13.69 N ATOM 820 CA GLY B 502 18.519 82.055 64.807 1.00 13.74 C ATOM 821 C GLY B 502 18.164 82.506 63.403 1.00 14.17 C ATOM 822 O GLY B 502 18.609 81.918 62.418 1.00 14.61 O ATOM 823 N ILE B 503 17.332 83.539 63.321 1.00 14.82 N ATOM 824 CA ILE B 503 16.912 84.099 62.040 1.00 15.43 C ATOM 825 C ILE B 503 16.827 85.607 62.184 1.00 15.12 C ATOM 826 O ILE B 503 16.768 86.138 63.295 1.00 14.13 O ATOM 827 CB ILE B 503 15.509 83.614 61.615 1.00 15.53 C ATOM 828 CG1 ILE B 503 14.467 84.091 62.629 1.00 15.28 C ATOM 829 CG2 ILE B 503 15.493 82.113 61.486 1.00 16.10 C ATOM 830 CD1 ILE B 503 13.040 83.737 62.263 1.00 17.42 C ATOM 831 N THR B 504 16.825 86.292 61.050 1.00 16.26 N ATOM 832 CA THR B 504 16.718 87.736 61.022 1.00 15.96 C ATOM 833 C THR B 504 15.542 88.020 60.102 1.00 16.08 C ATOM 834 O THR B 504 15.492 87.506 58.983 1.00 15.47 O ATOM 835 CB THR B 504 17.980 88.382 60.424 1.00 16.90 C ATOM 836 OG1 THR B 504 19.137 87.954 61.159 1.00 18.50 O ATOM 837 CG2 THR B 504 17.878 89.900 60.492 1.00 17.09 C ATOM 838 N LEU B 505 14.589 88.814 60.570 1.00 15.40 N ATOM 839 CA LEU B 505 13.431 89.144 59.748 1.00 16.38 C ATOM 840 C LEU B 505 13.441 90.620 59.367 1.00 18.71 C ATOM 841 O LEU B 505 13.865 91.462 60.156 1.00 16.37 O ATOM 842 CB LEU B 505 12.131 88.833 60.498 1.00 16.40 C ATOM 843 CG LEU B 505 11.867 87.391 60.947 1.00 15.62 C ATOM 844 CD1 LEU B 505 10.524 87.327 61.668 1.00 16.32 C ATOM 845 CD2 LEU B 505 11.869 86.458 59.737 1.00 13.32 C ATOM 846 N LYS B 506 12.992 90.919 58.148 1.00 20.81 N ATOM 847 CA LYS B 506 12.896 92.299 57.675 1.00 24.18 C ATOM 848 C LYS B 506 11.423 92.641 57.846 1.00 26.46 C ATOM 849 O LYS B 506 10.571 92.139 57.100 1.00 25.61 O ATOM 850 CB LYS B 506 13.227 92.427 56.188 1.00 26.58 C ATOM 851 CG LYS B 506 14.593 91.975 55.748 1.00 28.07 C ATOM 852 CD LYS B 506 14.722 92.233 54.250 1.00 30.44 C ATOM 853 CE LYS B 506 16.026 91.723 53.671 1.00 32.24 C ATOM 854 NZ LYS B 506 16.098 91.970 52.200 1.00 30.47 N ATOM 855 N MET B 507 11.131 93.490 58.823 1.00 28.65 N ATOM 856 CA MET B 507 9.764 93.892 59.135 1.00 30.62 C ATOM 857 C MET B 507 9.584 95.401 58.993 1.00 31.74 C ATOM 858 O MET B 507 9.984 96.127 59.930 1.00 32.97 O ATOM 859 CB MET B 507 9.419 93.453 60.560 1.00 32.52 C ATOM 860 CG MET B 507 9.590 91.950 60.803 1.00 33.62 C ATOM 861 SD MET B 507 9.303 91.437 62.522 1.00 35.04 S ATOM 862 CE MET B 507 7.595 91.877 62.743 1.00 34.81 C ATOM 863 N LEU B 510 7.746 96.915 51.630 1.00 41.66 N ATOM 864 CA LEU B 510 6.279 97.100 51.456 1.00 40.54 C ATOM 865 C LEU B 510 5.521 96.428 52.603 1.00 39.74 C ATOM 866 O LEU B 510 4.446 95.865 52.411 1.00 39.96 O ATOM 867 CB LEU B 510 5.834 96.516 50.109 1.00 41.05 C ATOM 868 CG LEU B 510 4.387 96.804 49.695 1.00 41.73 C ATOM 869 CD1 LEU B 510 4.175 98.308 49.628 1.00 43.12 C ATOM 870 CD2 LEU B 510 4.087 96.160 48.346 1.00 42.35 C ATOM 871 N ASN B 511 6.109 96.489 53.795 1.00 38.64 N ATOM 872 CA ASN B 511 5.525 95.919 55.005 1.00 37.37 C ATOM 873 C ASN B 511 5.469 94.391 55.049 1.00 36.39 C ATOM 874 O ASN B 511 4.965 93.815 56.019 1.00 36.69 O ATOM 875 CB ASN B 511 4.118 96.480 55.220 1.00 39.04 C ATOM 876 CG ASN B 511 4.096 97.994 55.279 1.00 39.21 C ATOM 877 OD1 ASN B 511 4.742 98.607 56.131 1.00 41.13 O ATOM 878 ND2 ASN B 511 3.349 98.608 54.371 1.00 40.84 N ATOM 879 N HIS B 512 5.978 93.731 54.013 1.00 33.94 N ATOM 880 CA HIS B 512 5.971 92.268 53.973 1.00 33.09 C ATOM 881 C HIS B 512 7.043 91.714 54.910 1.00 31.71 C ATOM 882 O HIS B 512 8.215 92.091 54.808 1.00 31.83 O ATOM 883 CB HIS B 512 6.231 91.779 52.544 1.00 33.41 C ATOM 884 CG HIS B 512 5.175 92.188 51.562 1.00 34.41 C ATOM 885 ND1 HIS B 512 3.882 91.713 51.616 1.00 36.04 N ATOM 886 CD2 HIS B 512 5.217 93.038 50.508 1.00 35.05 C ATOM 887 CE1 HIS B 512 3.173 92.253 50.639 1.00 36.04 C ATOM 888 NE2 HIS B 512 3.963 93.062 49.952 1.00 34.31 N ATOM 889 N CYS B 513 6.649 90.829 55.824 1.00 29.24 N ATOM 890 CA CYS B 513 7.611 90.240 56.752 1.00 26.86 C ATOM 891 C CYS B 513 8.374 89.136 56.040 1.00 25.07 C ATOM 892 O CYS B 513 7.860 88.042 55.806 1.00 23.27 O ATOM 893 CB CYS B 513 6.922 89.676 57.986 1.00 26.90 C ATOM 894 SG CYS B 513 8.114 89.036 59.177 1.00 30.68 S ATOM 895 N ILE B 514 9.620 89.447 55.717 1.00 22.53 N ATOM 896 CA ILE B 514 10.498 88.563 54.976 1.00 20.92 C ATOM 897 C ILE B 514 11.635 87.973 55.801 1.00 17.28 C ATOM 898 O ILE B 514 12.201 88.636 56.656 1.00 15.99 O ATOM 899 CB ILE B 514 11.097 89.347 53.801 1.00 20.76 C ATOM 900 CG1 ILE B 514 9.958 90.022 53.024 1.00 24.13 C ATOM 901 CG2 ILE B 514 11.905 88.432 52.902 1.00 21.97 C ATOM 902 CD1 ILE B 514 10.419 91.024 51.994 1.00 24.54 C ATOM 903 N VAL B 515 11.957 86.709 55.546 1.00 15.88 N ATOM 904 CA VAL B 515 13.064 86.073 56.244 1.00 15.25 C ATOM 905 C VAL B 515 14.296 86.581 55.488 1.00 16.51 C ATOM 906 O VAL B 515 14.502 86.235 54.324 1.00 15.49 O ATOM 907 CB VAL B 515 12.975 84.533 56.157 1.00 15.82 C ATOM 908 CG1 VAL B 515 14.165 83.887 56.865 1.00 14.69 C ATOM 909 CG2 VAL B 515 11.671 84.066 56.803 1.00 13.57 C ATOM 910 N ALA B 516 15.081 87.436 56.140 1.00 15.09 N ATOM 911 CA ALA B 516 16.271 88.015 55.517 1.00 16.42 C ATOM 912 C ALA B 516 17.520 87.163 55.693 1.00 16.61 C ATOM 913 O ALA B 516 18.376 87.106 54.807 1.00 16.23 O ATOM 914 CB ALA B 516 16.520 89.417 56.075 1.00 14.80 C ATOM 915 N ARG B 517 17.635 86.497 56.838 1.00 16.90 N ATOM 916 CA ARG B 517 18.803 85.665 57.087 1.00 17.94 C ATOM 917 C ARG B 517 18.448 84.485 57.991 1.00 17.87 C ATOM 918 O ARG B 517 17.595 84.599 58.871 1.00 16.48 O ATOM 919 CB ARG B 517 19.903 86.512 57.756 1.00 21.25 C ATOM 920 CG ARG B 517 20.255 87.804 57.009 1.00 23.96 C ATOM 921 CD ARG B 517 21.106 88.747 57.870 1.00 29.12 C ATOM 922 NE ARG B 517 21.300 90.051 57.234 1.00 31.56 N ATOM 923 CZ ARG B 517 21.919 91.082 57.805 1.00 33.34 C ATOM 924 NH1 ARG B 517 22.418 90.970 59.030 1.00 34.28 N ATOM 925 NH2 ARG B 517 22.045 92.228 57.148 1.00 34.09 N ATOM 926 N ILE B 518 19.102 83.353 57.760 1.00 17.02 N ATOM 927 CA ILE B 518 18.908 82.163 58.579 1.00 17.06 C ATOM 928 C ILE B 518 20.304 81.685 58.968 1.00 18.58 C ATOM 929 O ILE B 518 21.077 81.245 58.114 1.00 16.79 O ATOM 930 CB ILE B 518 18.185 81.022 57.820 1.00 17.17 C ATOM 931 CG1 ILE B 518 16.747 81.445 57.462 1.00 17.21 C ATOM 932 CG2 ILE B 518 18.180 79.756 58.685 1.00 16.60 C ATOM 933 CD1 ILE B 518 15.931 80.371 56.727 1.00 17.58 C ATOM 934 N MET B 519 20.624 81.773 60.257 1.00 17.74 N ATOM 935 CA MET B 519 21.941 81.368 60.748 1.00 18.30 C ATOM 936 C MET B 519 22.135 79.852 60.632 1.00 19.11 C ATOM 937 O MET B 519 21.404 79.077 61.246 1.00 15.92 O ATOM 938 CB MET B 519 22.095 81.825 62.210 1.00 19.62 C ATOM 939 CG MET B 519 21.813 83.324 62.397 1.00 22.58 C ATOM 940 SD MET B 519 21.918 83.990 64.088 1.00 29.90 S ATOM 941 CE MET B 519 23.657 83.760 64.466 1.00 28.69 C ATOM 942 N HIS B 520 23.113 79.423 59.839 1.00 20.12 N ATOM 943 CA HIS B 520 23.372 77.994 59.683 1.00 21.35 C ATOM 944 C HIS B 520 23.655 77.387 61.046 1.00 21.28 C ATOM 945 O HIS B 520 24.380 77.973 61.859 1.00 21.19 O ATOM 946 CB HIS B 520 24.558 77.782 58.747 1.00 26.18 C ATOM 947 CG HIS B 520 24.336 78.332 57.372 1.00 30.06 C ATOM 948 ND1 HIS B 520 25.354 78.500 56.455 1.00 33.05 N ATOM 949 CD2 HIS B 520 23.196 78.686 56.733 1.00 30.87 C ATOM 950 CE1 HIS B 520 24.852 78.937 55.315 1.00 33.00 C ATOM 951 NE2 HIS B 520 23.544 79.057 55.455 1.00 34.14 N ATOM 952 N GLY B 521 23.052 76.228 61.299 1.00 19.34 N ATOM 953 CA GLY B 521 23.243 75.552 62.566 1.00 18.84 C ATOM 954 C GLY B 521 22.246 75.949 63.638 1.00 17.52 C ATOM 955 O GLY B 521 22.149 75.275 64.661 1.00 14.92 O ATOM 956 N GLY B 522 21.514 77.039 63.405 1.00 17.75 N ATOM 957 CA GLY B 522 20.533 77.506 64.377 1.00 16.85 C ATOM 958 C GLY B 522 19.238 76.716 64.377 1.00 17.17 C ATOM 959 O GLY B 522 19.038 75.855 63.514 1.00 16.01 O ATOM 960 N MET B 523 18.350 77.013 65.329 1.00 16.18 N ATOM 961 CA MET B 523 17.079 76.297 65.436 1.00 17.17 C ATOM 962 C MET B 523 16.285 76.177 64.143 1.00 16.26 C ATOM 963 O MET B 523 15.887 75.077 63.759 1.00 17.01 O ATOM 964 CB MET B 523 16.153 76.935 66.465 1.00 19.65 C ATOM 965 CG MET B 523 14.795 76.235 66.484 1.00 24.57 C ATOM 966 SD MET B 523 13.440 77.202 67.133 1.00 30.31 S ATOM 967 CE MET B 523 13.989 77.472 68.815 1.00 27.26 C ATOM 968 N ILE B 524 16.024 77.306 63.491 1.00 14.70 N ATOM 969 CA ILE B 524 15.256 77.292 62.258 1.00 15.33 C ATOM 970 C ILE B 524 15.968 76.540 61.133 1.00 16.45 C ATOM 971 O ILE B 524 15.354 75.721 60.449 1.00 16.63 O ATOM 972 CB ILE B 524 14.911 78.734 61.790 1.00 15.34 C ATOM 973 CG1 ILE B 524 13.922 79.376 62.766 1.00 16.01 C ATOM 974 CG2 ILE B 524 14.318 78.707 60.382 1.00 14.66 C ATOM 975 CD1 ILE B 524 12.568 78.675 62.825 1.00 18.95 C ATOM 976 N HIS B 525 17.255 76.814 60.944 1.00 15.83 N ATOM 977 CA HIS B 525 18.026 76.156 59.892 1.00 18.35 C ATOM 978 C HIS B 525 17.925 74.641 60.070 1.00 18.98 C ATOM 979 O HIS B 525 17.822 73.889 59.106 1.00 18.34 O ATOM 980 CB HIS B 525 19.486 76.632 59.951 1.00 18.92 C ATOM 981 CG HIS B 525 20.371 76.048 58.893 1.00 20.20 C ATOM 982 ND1 HIS B 525 21.080 74.878 59.074 1.00 21.11 N ATOM 983 CD2 HIS B 525 20.629 76.452 57.628 1.00 21.17 C ATOM 984 CE1 HIS B 525 21.743 74.594 57.967 1.00 22.76 C ATOM 985 NE2 HIS B 525 21.486 75.531 57.073 1.00 21.31 N ATOM 986 N ARG B 526 17.923 74.228 61.331 1.00 18.24 N ATOM 987 CA ARG B 526 17.824 72.838 61.754 1.00 19.84 C ATOM 988 C ARG B 526 16.575 72.157 61.198 1.00 19.13 C ATOM 989 O ARG B 526 16.614 70.985 60.829 1.00 17.78 O ATOM 990 CB ARG B 526 17.801 72.821 63.285 1.00 21.57 C ATOM 991 CG ARG B 526 17.714 71.487 63.979 1.00 26.26 C ATOM 992 CD ARG B 526 17.724 71.779 65.476 1.00 29.14 C ATOM 993 NE ARG B 526 18.855 72.649 65.795 1.00 27.14 N ATOM 994 CZ ARG B 526 18.947 73.417 66.875 1.00 26.81 C ATOM 995 NH1 ARG B 526 17.972 73.437 67.770 1.00 26.58 N ATOM 996 NH2 ARG B 526 20.018 74.179 67.049 1.00 26.01 N ATOM 997 N GLN B 527 15.473 72.897 61.151 1.00 18.27 N ATOM 998 CA GLN B 527 14.217 72.357 60.646 1.00 18.84 C ATOM 999 C GLN B 527 14.302 72.153 59.138 1.00 18.24 C ATOM 1000 O GLN B 527 13.693 71.229 58.592 1.00 19.66 O ATOM 1001 CB GLN B 527 13.064 73.307 60.962 1.00 19.28 C ATOM 1002 CG GLN B 527 13.036 73.846 62.412 1.00 23.11 C ATOM 1003 CD GLN B 527 13.186 72.767 63.474 1.00 24.56 C ATOM 1004 OE1 GLN B 527 12.416 71.815 63.523 1.00 23.93 O ATOM 1005 NE2 GLN B 527 14.172 72.947 64.368 1.00 24.89 N ATOM 1006 N GLY B 528 15.052 73.032 58.475 1.00 16.97 N ATOM 1007 CA GLY B 528 15.244 72.948 57.034 1.00 17.81 C ATOM 1008 C GLY B 528 14.002 73.167 56.182 1.00 18.54 C ATOM 1009 O GLY B 528 13.955 72.759 55.020 1.00 18.68 O ATOM 1010 N THR B 529 12.998 73.828 56.742 1.00 16.21 N ATOM 1011 CA THR B 529 11.759 74.062 56.020 1.00 16.75 C ATOM 1012 C THR B 529 11.568 75.515 55.614 1.00 17.23 C ATOM 1013 O THR B 529 10.694 75.835 54.812 1.00 16.99 O ATOM 1014 CB THR B 529 10.571 73.643 56.876 1.00 16.72 C ATOM 1015 OG1 THR B 529 10.624 74.351 58.120 1.00 17.43 O ATOM 1016 CG2 THR B 529 10.622 72.152 57.149 1.00 18.18 C ATOM 1017 N LEU B 530 12.391 76.391 56.176 1.00 16.82 N ATOM 1018 CA LEU B 530 12.299 77.813 55.879 1.00 18.65 C ATOM 1019 C LEU B 530 13.510 78.250 55.073 1.00 18.06 C ATOM 1020 O LEU B 530 14.594 77.690 55.233 1.00 17.82 O ATOM 1021 CB LEU B 530 12.234 78.605 57.179 1.00 19.25 C ATOM 1022 CG LEU B 530 11.003 79.476 57.408 1.00 23.25 C ATOM 1023 CD1 LEU B 530 9.727 78.691 57.153 1.00 22.54 C ATOM 1024 CD2 LEU B 530 11.042 80.000 58.836 1.00 22.57 C ATOM 1025 N HIS B 531 13.315 79.238 54.201 1.00 16.98 N ATOM 1026 CA HIS B 531 14.399 79.750 53.373 1.00 15.98 C ATOM 1027 C HIS B 531 14.423 81.267 53.310 1.00 14.83 C ATOM 1028 O HIS B 531 13.398 81.931 53.451 1.00 11.53 O ATOM 1029 CB HIS B 531 14.305 79.207 51.943 1.00 20.87 C ATOM 1030 CG HIS B 531 14.776 77.793 51.792 1.00 25.57 C ATOM 1031 ND1 HIS B 531 14.777 77.134 50.582 1.00 26.95 N ATOM 1032 CD2 HIS B 531 15.282 76.916 52.695 1.00 28.40 C ATOM 1033 CE1 HIS B 531 15.261 75.915 50.742 1.00 28.55 C ATOM 1034 NE2 HIS B 531 15.575 75.758 52.018 1.00 29.95 N ATOM 1035 N VAL B 532 15.616 81.803 53.093 1.00 14.14 N ATOM 1036 CA VAL B 532 15.796 83.238 52.966 1.00 14.50 C ATOM 1037 C VAL B 532 14.897 83.691 51.825 1.00 13.15 C ATOM 1038 O VAL B 532 14.911 83.109 50.743 1.00 14.12 O ATOM 1039 CB VAL B 532 17.278 83.572 52.652 1.00 15.00 C ATOM 1040 CG1 VAL B 532 17.431 85.039 52.312 1.00 16.99 C ATOM 1041 CG2 VAL B 532 18.138 83.223 53.862 1.00 16.27 C ATOM 1042 N GLY B 533 14.097 84.716 52.074 1.00 12.54 N ATOM 1043 CA GLY B 533 13.202 85.199 51.039 1.00 13.23 C ATOM 1044 C GLY B 533 11.757 84.823 51.292 1.00 14.45 C ATOM 1045 O GLY B 533 10.857 85.392 50.671 1.00 15.30 O ATOM 1046 N ASP B 534 11.514 83.866 52.191 1.00 14.92 N ATOM 1047 CA ASP B 534 10.133 83.483 52.490 1.00 13.51 C ATOM 1048 C ASP B 534 9.434 84.636 53.176 1.00 14.51 C ATOM 1049 O ASP B 534 10.029 85.340 53.993 1.00 14.57 O ATOM 1050 CB ASP B 534 10.034 82.274 53.440 1.00 12.94 C ATOM 1051 CG ASP B 534 10.252 80.954 52.750 1.00 10.78 C ATOM 1052 OD1 ASP B 534 9.932 80.836 51.548 1.00 13.34 O ATOM 1053 OD2 ASP B 534 10.699 80.012 53.434 1.00 13.60 O ATOM 1054 N GLU B 535 8.157 84.811 52.867 1.00 14.03 N ATOM 1055 CA GLU B 535 7.388 85.867 53.505 1.00 14.97 C ATOM 1056 C GLU B 535 6.460 85.221 54.521 1.00 13.76 C ATOM 1057 O GLU B 535 5.731 84.301 54.182 1.00 12.99 O ATOM 1058 CB GLU B 535 6.549 86.612 52.478 1.00 16.30 C ATOM 1059 CG GLU B 535 5.864 87.838 53.036 1.00 20.68 C ATOM 1060 CD GLU B 535 5.020 88.534 51.997 1.00 21.74 C ATOM 1061 OE1 GLU B 535 5.459 88.588 50.833 1.00 22.95 O ATOM 1062 OE2 GLU B 535 3.933 89.033 52.350 1.00 23.62 O ATOM 1063 N ILE B 536 6.499 85.680 55.767 1.00 14.07 N ATOM 1064 CA ILE B 536 5.604 85.117 56.775 1.00 15.77 C ATOM 1065 C ILE B 536 4.295 85.910 56.715 1.00 15.13 C ATOM 1066 O ILE B 536 4.282 87.107 56.986 1.00 15.51 O ATOM 1067 CB ILE B 536 6.199 85.213 58.195 1.00 14.64 C ATOM 1068 CG1 ILE B 536 7.504 84.411 58.268 1.00 14.83 C ATOM 1069 CG2 ILE B 536 5.192 84.687 59.211 1.00 15.27 C ATOM 1070 CD1 ILE B 536 8.219 84.494 59.616 1.00 16.46 C ATOM 1071 N ARG B 537 3.211 85.234 56.347 1.00 15.12 N ATOM 1072 CA ARG B 537 1.897 85.863 56.232 1.00 16.88 C ATOM 1073 C ARG B 537 1.070 85.739 57.512 1.00 16.00 C ATOM 1074 O ARG B 537 0.311 86.646 57.851 1.00 16.80 O ATOM 1075 CB ARG B 537 1.128 85.257 55.049 1.00 18.78 C ATOM 1076 CG ARG B 537 1.721 85.587 53.675 1.00 22.25 C ATOM 1077 CD ARG B 537 1.488 87.041 53.299 1.00 26.45 C ATOM 1078 NE ARG B 537 0.060 87.318 53.144 1.00 30.05 N ATOM 1079 CZ ARG B 537 -0.460 88.523 52.928 1.00 33.34 C ATOM 1080 NH1 ARG B 537 0.329 89.590 52.834 1.00 33.57 N ATOM 1081 NH2 ARG B 537 -1.775 88.666 52.808 1.00 34.57 N ATOM 1082 N GLU B 538 1.197 84.613 58.206 1.00 13.99 N ATOM 1083 CA GLU B 538 0.471 84.409 59.459 1.00 14.70 C ATOM 1084 C GLU B 538 1.293 83.565 60.417 1.00 13.87 C ATOM 1085 O GLU B 538 2.161 82.800 60.002 1.00 12.97 O ATOM 1086 CB GLU B 538 -0.856 83.684 59.233 1.00 16.60 C ATOM 1087 CG GLU B 538 -1.710 84.215 58.100 1.00 20.47 C ATOM 1088 CD GLU B 538 -3.066 83.541 58.036 1.00 22.16 C ATOM 1089 OE1 GLU B 538 -3.140 82.320 58.279 1.00 23.05 O ATOM 1090 OE2 GLU B 538 -4.058 84.229 57.720 1.00 25.44 O ATOM 1091 N ILE B 539 1.002 83.718 61.700 1.00 13.93 N ATOM 1092 CA ILE B 539 1.643 82.971 62.760 1.00 13.34 C ATOM 1093 C ILE B 539 0.471 82.383 63.531 1.00 13.90 C ATOM 1094 O ILE B 539 -0.366 83.124 64.067 1.00 14.04 O ATOM 1095 CB ILE B 539 2.497 83.906 63.664 1.00 14.41 C ATOM 1096 CG1 ILE B 539 3.647 84.512 62.841 1.00 15.44 C ATOM 1097 CG2 ILE B 539 3.055 83.130 64.848 1.00 15.20 C ATOM 1098 CD1 ILE B 539 4.577 85.407 63.635 1.00 17.23 C ATOM 1099 N ASN B 540 0.384 81.053 63.535 1.00 13.68 N ATOM 1100 CA ASN B 540 -0.711 80.361 64.220 1.00 14.64 C ATOM 1101 C ASN B 540 -2.057 80.951 63.805 1.00 15.10 C ATOM 1102 O ASN B 540 -2.980 81.137 64.619 1.00 13.59 O ATOM 1103 CB ASN B 540 -0.517 80.417 65.733 1.00 15.92 C ATOM 1104 CG ASN B 540 0.509 79.394 66.219 1.00 17.10 C ATOM 1105 OD1 ASN B 540 1.559 79.222 65.574 1.00 19.51 O ATOM 1106 ND2 ASN B 540 0.221 78.729 67.322 1.00 15.82 N ATOM 1107 N GLY B 541 -2.145 81.261 62.504 1.00 15.14 N ATOM 1108 CA GLY B 541 -3.365 81.809 61.931 1.00 15.40 C ATOM 1109 C GLY B 541 -3.531 83.307 62.047 1.00 15.85 C ATOM 1110 O GLY B 541 -4.375 83.889 61.368 1.00 15.45 O ATOM 1111 N ILE B 542 -2.727 83.934 62.893 1.00 15.77 N ATOM 1112 CA ILE B 542 -2.820 85.370 63.092 1.00 18.59 C ATOM 1113 C ILE B 542 -2.160 86.177 61.975 1.00 19.80 C ATOM 1114 O ILE B 542 -0.948 86.088 61.756 1.00 19.09 O ATOM 1115 CB ILE B 542 -2.189 85.775 64.419 1.00 16.68 C ATOM 1116 CG1 ILE B 542 -2.798 84.946 65.552 1.00 16.89 C ATOM 1117 CG2 ILE B 542 -2.460 87.237 64.680 1.00 18.88 C ATOM 1118 CD1 ILE B 542 -2.109 85.145 66.877 1.00 16.09 C ATOM 1119 N SER B 543 -2.977 86.972 61.292 1.00 20.70 N ATOM 1120 CA SER B 543 -2.524 87.813 60.192 1.00 24.76 C ATOM 1121 C SER B 543 -1.383 88.729 60.604 1.00 25.66 C ATOM 1122 O SER B 543 -1.545 89.593 61.458 1.00 27.33 O ATOM 1123 CB SER B 543 -3.689 88.661 59.672 1.00 25.28 C ATOM 1124 OG SER B 543 -3.267 89.551 58.653 1.00 27.38 O ATOM 1125 N VAL B 544 -0.225 88.523 59.992 1.00 27.35 N ATOM 1126 CA VAL B 544 0.943 89.340 60.262 1.00 28.25 C ATOM 1127 C VAL B 544 0.689 90.756 59.754 1.00 31.34 C ATOM 1128 O VAL B 544 1.015 91.738 60.422 1.00 31.18 O ATOM 1129 CB VAL B 544 2.192 88.743 59.563 1.00 28.59 C ATOM 1130 CG1 VAL B 544 3.286 89.783 59.445 1.00 26.14 C ATOM 1131 CG2 VAL B 544 2.704 87.547 60.364 1.00 25.71 C ATOM 1132 N ALA B 545 0.091 90.847 58.572 1.00 33.83 N ATOM 1133 CA ALA B 545 -0.213 92.131 57.953 1.00 37.15 C ATOM 1134 C ALA B 545 -1.124 92.982 58.819 1.00 39.97 C ATOM 1135 O ALA B 545 -0.740 94.065 59.265 1.00 40.43 O ATOM 1136 CB ALA B 545 -0.861 91.910 56.593 1.00 36.10 C ATOM 1137 N ASN B 546 -2.333 92.483 59.057 1.00 43.53 N ATOM 1138 CA ASN B 546 -3.320 93.206 59.848 1.00 46.81 C ATOM 1139 C ASN B 546 -2.957 93.334 61.319 1.00 48.40 C ATOM 1140 O ASN B 546 -3.813 93.255 62.199 1.00 49.23 O ATOM 1141 CB ASN B 546 -4.688 92.546 59.690 1.00 48.07 C ATOM 1142 CG ASN B 546 -5.145 92.519 58.247 1.00 49.61 C ATOM 1143 OD1 ASN B 546 -5.163 93.552 57.574 1.00 50.91 O ATOM 1144 ND2 ASN B 546 -5.517 91.340 57.762 1.00 50.16 N ATOM 1145 N GLN B 547 -1.670 93.534 61.568 1.00 50.45 N ATOM 1146 CA GLN B 547 -1.156 93.712 62.906 1.00 51.41 C ATOM 1147 C GLN B 547 0.102 94.545 62.802 1.00 50.95 C ATOM 1148 O GLN B 547 0.716 94.627 61.740 1.00 50.87 O ATOM 1149 CB GLN B 547 -0.877 92.356 63.538 1.00 53.16 C ATOM 1150 CG GLN B 547 -2.120 91.521 63.687 1.00 55.87 C ATOM 1151 CD GLN B 547 -1.882 90.221 64.382 1.00 57.29 C ATOM 1152 OE1 GLN B 547 -2.532 89.929 65.379 1.00 58.78 O ATOM 1153 NE2 GLN B 547 -0.925 89.432 63.879 1.00 58.04 N ATOM 1154 N THR B 548 0.457 95.194 63.900 1.00 51.29 N ATOM 1155 CA THR B 548 1.625 96.050 63.924 1.00 51.69 C ATOM 1156 C THR B 548 2.899 95.217 63.996 1.00 52.45 C ATOM 1157 O THR B 548 2.890 94.083 64.480 1.00 52.33 O ATOM 1158 CB THR B 548 1.562 97.006 65.125 1.00 51.59 C ATOM 1159 OG1 THR B 548 1.655 96.255 66.341 1.00 51.33 O ATOM 1160 CG2 THR B 548 0.240 97.768 65.117 1.00 50.61 C ATOM 1161 N VAL B 549 3.991 95.786 63.496 1.00 52.80 N ATOM 1162 CA VAL B 549 5.284 95.116 63.496 1.00 53.65 C ATOM 1163 C VAL B 549 5.822 94.965 64.910 1.00 54.34 C ATOM 1164 O VAL B 549 6.494 93.985 65.231 1.00 53.85 O ATOM 1165 CB VAL B 549 6.324 95.909 62.681 1.00 53.71 C ATOM 1166 CG1 VAL B 549 6.417 97.331 63.203 1.00 54.03 C ATOM 1167 CG2 VAL B 549 7.686 95.237 62.783 1.00 53.73 C ATOM 1168 N GLU B 550 5.523 95.950 65.749 1.00 54.97 N ATOM 1169 CA GLU B 550 5.985 95.948 67.125 1.00 55.66 C ATOM 1170 C GLU B 550 5.570 94.684 67.878 1.00 55.64 C ATOM 1171 O GLU B 550 6.420 93.868 68.237 1.00 55.16 O ATOM 1172 CB GLU B 550 5.478 97.204 67.842 1.00 56.70 C ATOM 1173 CG GLU B 550 3.966 97.314 67.959 1.00 58.27 C ATOM 1174 CD GLU B 550 3.517 98.692 68.415 1.00 59.68 C ATOM 1175 OE1 GLU B 550 3.633 99.648 67.616 1.00 60.21 O ATOM 1176 OE2 GLU B 550 3.062 98.823 69.572 1.00 59.65 O ATOM 1177 N GLN B 551 4.273 94.506 68.100 1.00 55.59 N ATOM 1178 CA GLN B 551 3.803 93.340 68.827 1.00 55.69 C ATOM 1179 C GLN B 551 3.905 92.049 68.027 1.00 54.87 C ATOM 1180 O GLN B 551 3.663 90.964 68.553 1.00 54.50 O ATOM 1181 CB GLN B 551 2.372 93.574 69.296 1.00 56.78 C ATOM 1182 CG GLN B 551 2.238 94.801 70.164 1.00 58.62 C ATOM 1183 CD GLN B 551 0.912 94.896 70.863 1.00 58.88 C ATOM 1184 OE1 GLN B 551 0.860 94.941 72.084 1.00 59.71 O ATOM 1185 NE2 GLN B 551 -0.178 94.895 70.092 1.00 59.44 N ATOM 1186 N LEU B 552 4.292 92.169 66.762 1.00 53.94 N ATOM 1187 CA LEU B 552 4.449 90.995 65.921 1.00 52.96 C ATOM 1188 C LEU B 552 5.692 90.252 66.405 1.00 52.36 C ATOM 1189 O LEU B 552 5.660 89.036 66.601 1.00 52.14 O ATOM 1190 CB LEU B 552 4.608 91.399 64.454 1.00 53.33 C ATOM 1191 CG LEU B 552 4.514 90.253 63.443 1.00 53.86 C ATOM 1192 CD1 LEU B 552 3.136 89.610 63.530 1.00 53.73 C ATOM 1193 CD2 LEU B 552 4.747 90.782 62.042 1.00 54.39 C ATOM 1194 N GLN B 553 6.786 90.984 66.604 1.00 51.36 N ATOM 1195 CA GLN B 553 8.009 90.360 67.094 1.00 51.03 C ATOM 1196 C GLN B 553 7.887 90.061 68.579 1.00 49.26 C ATOM 1197 O GLN B 553 8.569 89.176 69.098 1.00 49.36 O ATOM 1198 CB GLN B 553 9.227 91.251 66.857 1.00 52.96 C ATOM 1199 CG GLN B 553 10.421 90.855 67.723 1.00 55.91 C ATOM 1200 CD GLN B 553 11.681 91.616 67.390 1.00 57.15 C ATOM 1201 OE1 GLN B 553 11.693 92.849 67.370 1.00 57.81 O ATOM 1202 NE2 GLN B 553 12.761 90.883 67.136 1.00 57.65 N ATOM 1203 N LYS B 554 7.031 90.808 69.268 1.00 46.06 N ATOM 1204 CA LYS B 554 6.836 90.565 70.689 1.00 43.49 C ATOM 1205 C LYS B 554 6.479 89.090 70.795 1.00 41.22 C ATOM 1206 O LYS B 554 6.998 88.365 71.640 1.00 41.62 O ATOM 1207 CB LYS B 554 5.699 91.424 71.223 1.00 43.21 C ATOM 1208 N MET B 555 5.606 88.654 69.897 1.00 39.51 N ATOM 1209 CA MET B 555 5.154 87.273 69.860 1.00 37.62 C ATOM 1210 C MET B 555 6.272 86.238 69.815 1.00 35.53 C ATOM 1211 O MET B 555 6.413 85.425 70.722 1.00 33.81 O ATOM 1212 CB MET B 555 4.259 87.032 68.647 1.00 39.52 C ATOM 1213 CG MET B 555 3.020 87.883 68.554 1.00 41.65 C ATOM 1214 SD MET B 555 2.003 87.284 67.195 1.00 45.68 S ATOM 1215 CE MET B 555 3.198 87.297 65.869 1.00 46.01 C ATOM 1216 N LEU B 556 7.065 86.276 68.750 1.00 33.72 N ATOM 1217 CA LEU B 556 8.130 85.298 68.557 1.00 31.98 C ATOM 1218 C LEU B 556 9.119 85.007 69.682 1.00 30.26 C ATOM 1219 O LEU B 556 9.470 83.847 69.892 1.00 31.12 O ATOM 1220 CB LEU B 556 8.864 85.600 67.250 1.00 33.46 C ATOM 1221 CG LEU B 556 8.593 84.531 66.178 1.00 33.48 C ATOM 1222 CD1 LEU B 556 7.126 84.091 66.215 1.00 32.87 C ATOM 1223 CD2 LEU B 556 8.978 85.063 64.809 1.00 32.31 C ATOM 1224 N ARG B 557 9.561 86.016 70.426 1.00 28.66 N ATOM 1225 CA ARG B 557 10.496 85.737 71.518 1.00 27.45 C ATOM 1226 C ARG B 557 9.809 84.966 72.640 1.00 25.15 C ATOM 1227 O ARG B 557 10.390 84.062 73.240 1.00 26.68 O ATOM 1228 CB ARG B 557 11.070 87.033 72.075 1.00 28.29 C ATOM 1229 N GLU B 558 8.559 85.324 72.904 1.00 24.47 N ATOM 1230 CA GLU B 558 7.778 84.717 73.981 1.00 23.75 C ATOM 1231 C GLU B 558 6.951 83.486 73.623 1.00 22.19 C ATOM 1232 O GLU B 558 6.661 82.659 74.490 1.00 20.42 O ATOM 1233 CB GLU B 558 6.843 85.773 74.580 1.00 25.32 C ATOM 1234 CG GLU B 558 7.544 86.903 75.329 1.00 28.08 C ATOM 1235 CD GLU B 558 6.580 88.008 75.744 1.00 29.43 C ATOM 1236 OE1 GLU B 558 5.439 87.685 76.134 1.00 29.35 O ATOM 1237 OE2 GLU B 558 6.967 89.199 75.699 1.00 31.26 O ATOM 1238 N MET B 559 6.577 83.355 72.354 1.00 20.51 N ATOM 1239 CA MET B 559 5.734 82.246 71.931 1.00 19.61 C ATOM 1240 C MET B 559 6.329 80.864 72.205 1.00 19.00 C ATOM 1241 O MET B 559 7.526 80.638 72.030 1.00 20.54 O ATOM 1242 CB MET B 559 5.386 82.400 70.453 1.00 19.36 C ATOM 1243 CG MET B 559 4.113 81.679 70.054 1.00 21.21 C ATOM 1244 SD MET B 559 3.606 82.028 68.358 1.00 24.16 S ATOM 1245 CE MET B 559 3.664 83.820 68.359 1.00 26.00 C ATOM 1246 N ARG B 560 5.479 79.942 72.645 1.00 18.09 N ATOM 1247 CA ARG B 560 5.905 78.580 72.974 1.00 18.22 C ATOM 1248 C ARG B 560 4.896 77.537 72.510 1.00 17.02 C ATOM 1249 O ARG B 560 3.719 77.841 72.328 1.00 16.62 O ATOM 1250 CB ARG B 560 6.084 78.445 74.488 1.00 19.30 C ATOM 1251 CG ARG B 560 7.142 79.343 75.099 1.00 19.60 C ATOM 1252 CD ARG B 560 8.558 78.838 74.830 1.00 22.39 C ATOM 1253 NE ARG B 560 9.533 79.645 75.555 1.00 22.66 N ATOM 1254 CZ ARG B 560 9.914 80.869 75.205 1.00 23.70 C ATOM 1255 NH1 ARG B 560 9.407 81.446 74.126 1.00 26.25 N ATOM 1256 NH2 ARG B 560 10.777 81.534 75.963 1.00 26.39 N ATOM 1257 N GLY B 561 5.369 76.304 72.349 1.00 17.09 N ATOM 1258 CA GLY B 561 4.509 75.217 71.914 1.00 17.07 C ATOM 1259 C GLY B 561 4.641 74.963 70.426 1.00 16.53 C ATOM 1260 O GLY B 561 5.706 75.158 69.853 1.00 16.78 O ATOM 1261 N SER B 562 3.564 74.504 69.796 1.00 16.02 N ATOM 1262 CA SER B 562 3.601 74.259 68.362 1.00 16.14 C ATOM 1263 C SER B 562 3.340 75.594 67.677 1.00 14.71 C ATOM 1264 O SER B 562 2.330 76.248 67.945 1.00 13.94 O ATOM 1265 CB SER B 562 2.530 73.243 67.948 1.00 16.87 C ATOM 1266 OG SER B 562 2.669 72.912 66.578 1.00 22.21 O ATOM 1267 N ILE B 563 4.264 75.995 66.809 1.00 12.13 N ATOM 1268 CA ILE B 563 4.161 77.260 66.083 1.00 11.65 C ATOM 1269 C ILE B 563 4.042 76.968 64.590 1.00 12.43 C ATOM 1270 O ILE B 563 4.805 76.165 64.049 1.00 12.29 O ATOM 1271 CB ILE B 563 5.426 78.131 66.315 1.00 10.17 C ATOM 1272 CG1 ILE B 563 5.552 78.470 67.801 1.00 12.29 C ATOM 1273 CG2 ILE B 563 5.371 79.402 65.465 1.00 12.17 C ATOM 1274 CD1 ILE B 563 6.797 79.275 68.154 1.00 12.02 C ATOM 1275 N THR B 564 3.081 77.601 63.928 1.00 12.16 N ATOM 1276 CA THR B 564 2.926 77.385 62.497 1.00 13.96 C ATOM 1277 C THR B 564 2.975 78.706 61.733 1.00 13.74 C ATOM 1278 O THR B 564 2.242 79.648 62.043 1.00 13.76 O ATOM 1279 CB THR B 564 1.601 76.653 62.171 1.00 15.79 C ATOM 1280 OG1 THR B 564 1.551 75.407 62.880 1.00 14.76 O ATOM 1281 CG2 THR B 564 1.524 76.346 60.673 1.00 18.29 C ATOM 1282 N PHE B 565 3.873 78.780 60.757 1.00 13.00 N ATOM 1283 CA PHE B 565 3.998 79.976 59.931 1.00 12.11 C ATOM 1284 C PHE B 565 3.317 79.690 58.610 1.00 12.25 C ATOM 1285 O PHE B 565 3.544 78.643 58.017 1.00 11.00 O ATOM 1286 CB PHE B 565 5.463 80.287 59.594 1.00 12.41 C ATOM 1287 CG PHE B 565 6.268 80.852 60.729 1.00 13.08 C ATOM 1288 CD1 PHE B 565 5.665 81.336 61.885 1.00 13.64 C ATOM 1289 CD2 PHE B 565 7.657 80.917 60.617 1.00 13.52 C ATOM 1290 CE1 PHE B 565 6.442 81.872 62.918 1.00 12.55 C ATOM 1291 CE2 PHE B 565 8.436 81.445 61.636 1.00 14.40 C ATOM 1292 CZ PHE B 565 7.826 81.925 62.789 1.00 14.29 C ATOM 1293 N LYS B 566 2.473 80.601 58.151 1.00 13.15 N ATOM 1294 CA LYS B 566 1.882 80.425 56.840 1.00 13.50 C ATOM 1295 C LYS B 566 2.872 81.234 56.026 1.00 13.68 C ATOM 1296 O LYS B 566 3.013 82.443 56.236 1.00 11.98 O ATOM 1297 CB LYS B 566 0.505 81.068 56.739 1.00 15.83 C ATOM 1298 CG LYS B 566 -0.056 81.024 55.318 1.00 18.92 C ATOM 1299 CD LYS B 566 -1.274 81.933 55.204 1.00 23.14 C ATOM 1300 CE LYS B 566 -1.760 82.025 53.762 1.00 24.93 C ATOM 1301 NZ LYS B 566 -2.191 80.708 53.237 1.00 27.83 N ATOM 1302 N ILE B 567 3.577 80.582 55.113 1.00 15.13 N ATOM 1303 CA ILE B 567 4.563 81.293 54.317 1.00 16.28 C ATOM 1304 C ILE B 567 4.250 81.317 52.827 1.00 16.41 C ATOM 1305 O ILE B 567 3.588 80.429 52.302 1.00 15.82 O ATOM 1306 CB ILE B 567 5.959 80.657 54.453 1.00 17.98 C ATOM 1307 CG1 ILE B 567 5.931 79.254 53.856 1.00 21.52 C ATOM 1308 CG2 ILE B 567 6.380 80.605 55.921 1.00 20.28 C ATOM 1309 CD1 ILE B 567 7.295 78.676 53.569 1.00 25.17 C ATOM 1310 N VAL B 568 4.741 82.358 52.164 1.00 15.78 N ATOM 1311 CA VAL B 568 4.628 82.507 50.715 1.00 17.36 C ATOM 1312 C VAL B 568 6.078 82.748 50.293 1.00 16.40 C ATOM 1313 O VAL B 568 6.698 83.704 50.738 1.00 15.25 O ATOM 1314 CB VAL B 568 3.798 83.745 50.292 1.00 16.80 C ATOM 1315 CG1 VAL B 568 3.951 83.976 48.799 1.00 18.49 C ATOM 1316 CG2 VAL B 568 2.323 83.540 50.631 1.00 17.41 C ATOM 1317 N PRO B 569 6.654 81.857 49.473 1.00 17.91 N ATOM 1318 CA PRO B 569 8.047 82.052 49.040 1.00 18.70 C ATOM 1319 C PRO B 569 8.183 83.186 48.019 1.00 20.08 C ATOM 1320 O PRO B 569 8.326 82.943 46.820 1.00 22.65 O ATOM 1321 CB PRO B 569 8.392 80.696 48.450 1.00 18.38 C ATOM 1322 CG PRO B 569 7.093 80.317 47.791 1.00 20.23 C ATOM 1323 CD PRO B 569 6.135 80.582 48.948 1.00 19.93 C ATOM 1324 N SER B 570 8.166 84.423 48.507 1.00 19.60 N ATOM 1325 CA SER B 570 8.236 85.601 47.647 1.00 20.76 C ATOM 1326 C SER B 570 9.545 85.794 46.882 1.00 19.97 C ATOM 1327 O SER B 570 9.521 86.133 45.698 1.00 19.87 O ATOM 1328 CB SER B 570 7.930 86.849 48.469 1.00 21.88 C ATOM 1329 OG SER B 570 6.640 86.745 49.055 1.00 26.79 O ATOM 1330 N TYR B 571 10.678 85.586 47.547 1.00 17.92 N ATOM 1331 CA TYR B 571 11.969 85.743 46.880 1.00 17.04 C ATOM 1332 C TYR B 571 12.892 84.573 47.151 1.00 15.47 C ATOM 1333 O TYR B 571 12.741 83.857 48.144 1.00 14.32 O ATOM 1334 CB TYR B 571 12.699 87.006 47.356 1.00 17.84 C ATOM 1335 CG TYR B 571 11.873 88.262 47.346 1.00 20.83 C ATOM 1336 CD1 TYR B 571 10.958 88.526 48.370 1.00 20.48 C ATOM 1337 CD2 TYR B 571 11.997 89.187 46.313 1.00 20.17 C ATOM 1338 CE1 TYR B 571 10.190 89.676 48.363 1.00 20.39 C ATOM 1339 CE2 TYR B 571 11.226 90.349 46.296 1.00 21.88 C ATOM 1340 CZ TYR B 571 10.324 90.585 47.323 1.00 20.93 C ATOM 1341 OH TYR B 571 9.548 91.719 47.306 1.00 22.42 O ATOM 1342 N ARG B 572 13.859 84.404 46.260 1.00 13.58 N ATOM 1343 CA ARG B 572 14.865 83.361 46.388 1.00 14.93 C ATOM 1344 C ARG B 572 16.197 83.898 45.879 1.00 16.41 C ATOM 1345 O ARG B 572 16.246 84.629 44.881 1.00 14.39 O ATOM 1346 CB ARG B 572 14.453 82.109 45.615 1.00 14.52 C ATOM 1347 CG ARG B 572 13.415 81.259 46.349 1.00 17.37 C ATOM 1348 CD ARG B 572 13.998 80.655 47.637 1.00 15.86 C ATOM 1349 NE ARG B 572 13.043 79.765 48.300 1.00 14.71 N ATOM 1350 CZ ARG B 572 12.089 80.159 49.141 1.00 15.52 C ATOM 1351 NH1 ARG B 572 11.949 81.443 49.453 1.00 12.68 N ATOM 1352 NH2 ARG B 572 11.260 79.263 49.664 1.00 13.41 N ATOM 1353 N GLU B 573 17.269 83.563 46.593 1.00 16.66 N ATOM 1354 CA GLU B 573 18.604 84.012 46.225 1.00 18.65 C ATOM 1355 C GLU B 573 19.279 82.934 45.380 1.00 19.25 C ATOM 1356 O GLU B 573 19.049 81.741 45.586 1.00 19.27 O ATOM 1357 CB GLU B 573 19.450 84.301 47.477 1.00 19.42 C ATOM 1358 CG GLU B 573 18.815 85.307 48.450 1.00 23.87 C ATOM 1359 CD GLU B 573 19.799 85.845 49.486 1.00 26.79 C ATOM 1360 OE1 GLU B 573 20.598 85.049 50.031 1.00 28.52 O ATOM 1361 OE2 GLU B 573 19.761 87.062 49.780 1.00 24.75 O ATOM 1362 N PHE B 574 20.108 83.356 44.429 1.00 18.55 N ATOM 1363 CA PHE B 574 20.805 82.419 43.562 1.00 19.34 C ATOM 1364 C PHE B 574 22.265 82.805 43.363 1.00 20.57 C ATOM 1365 O PHE B 574 23.031 81.947 42.872 1.00 21.60 O ATOM 1366 CB PHE B 574 20.106 82.310 42.205 1.00 20.00 C ATOM 1367 CG PHE B 574 18.670 81.869 42.295 1.00 19.09 C ATOM 1368 CD1 PHE B 574 17.647 82.798 42.453 1.00 18.63 C ATOM 1369 CD2 PHE B 574 18.350 80.517 42.280 1.00 19.84 C ATOM 1370 CE1 PHE B 574 16.324 82.385 42.592 1.00 18.76 C ATOM 1371 CE2 PHE B 574 17.031 80.089 42.419 1.00 21.10 C ATOM 1372 CZ PHE B 574 16.014 81.032 42.578 1.00 20.89 C ATOM 1373 OXT PHE B 574 22.624 83.961 43.675 1.00 18.18 O TER 1374 PHE B 574 HETATM 1375 S SO4 702 18.156 79.455 51.012 1.00 31.77 S HETATM 1376 O1 SO4 702 17.074 79.176 50.046 1.00 29.07 O HETATM 1377 O2 SO4 702 18.815 80.705 50.640 1.00 29.93 O HETATM 1378 O3 SO4 702 17.500 79.636 52.379 1.00 29.64 O HETATM 1379 O4 SO4 702 19.155 78.280 51.171 1.00 30.40 O HETATM 1380 S SO4 703 22.570 80.791 47.750 1.00 87.45 S HETATM 1381 O1 SO4 703 22.952 82.109 48.307 1.00 87.43 O HETATM 1382 O2 SO4 703 22.997 79.739 48.666 1.00 87.39 O HETATM 1383 O3 SO4 703 21.052 80.779 47.661 1.00 87.55 O HETATM 1384 O4 SO4 703 23.091 80.574 46.307 1.00 87.37 O HETATM 1385 S SO4 704 20.511 102.975 38.845 1.00 88.90 S HETATM 1386 O1 SO4 704 20.847 103.440 37.481 1.00 88.94 O HETATM 1387 O2 SO4 704 21.311 103.719 39.812 1.00 89.15 O HETATM 1388 O3 SO4 704 19.041 103.299 39.065 1.00 88.75 O HETATM 1389 O4 SO4 704 20.649 101.442 39.011 1.00 88.73 O HETATM 1390 O HOH 1 18.575 78.906 62.409 1.00 13.49 O HETATM 1391 O HOH 2 16.963 82.198 49.119 1.00 14.10 O HETATM 1392 O HOH 3 20.400 77.812 69.000 0.50 16.04 O HETATM 1393 O HOH 4 25.965 89.746 41.104 1.00 16.20 O HETATM 1394 O HOH 5 19.265 78.966 66.881 1.00 16.24 O HETATM 1395 O HOH 6 -0.352 80.257 60.550 1.00 18.19 O HETATM 1396 O HOH 7 21.152 83.361 55.842 1.00 23.99 O HETATM 1397 O HOH 8 9.958 77.572 52.890 1.00 24.47 O HETATM 1398 O HOH 9 4.236 89.511 55.372 1.00 24.91 O HETATM 1399 O HOH 10 24.829 93.804 47.825 1.00 39.82 O HETATM 1400 O HOH 12 17.153 77.252 56.026 1.00 29.04 O HETATM 1401 O HOH 13 7.512 75.365 28.099 1.00 43.39 O HETATM 1402 O HOH 14 2.402 78.133 69.901 1.00 17.17 O HETATM 1403 O HOH 15 1.627 77.120 73.758 1.00 20.54 O HETATM 1404 O HOH 16 14.856 76.203 57.811 1.00 24.88 O HETATM 1405 O HOH 17 18.769 78.835 54.688 1.00 31.22 O HETATM 1406 O HOH 18 21.237 76.835 54.064 1.00 40.25 O HETATM 1407 O HOH 19 11.227 94.297 32.575 1.00 23.90 O HETATM 1408 O HOH 21 20.450 95.298 43.552 1.00 27.55 O HETATM 1409 O HOH 22 6.689 75.183 44.980 1.00 38.48 O HETATM 1410 O HOH 23 22.980 85.260 45.790 1.00 28.95 O HETATM 1411 O HOH 25 -2.325 86.072 53.378 1.00 40.13 O HETATM 1412 O HOH 26 17.618 96.422 31.724 1.00 28.13 O HETATM 1413 O HOH 27 15.972 81.877 79.340 1.00 26.63 O HETATM 1414 O HOH 28 16.269 80.555 27.456 1.00 29.23 O HETATM 1415 O HOH 30 20.309 97.139 38.422 1.00 29.64 O HETATM 1416 O HOH 31 -3.963 80.873 49.424 1.00 39.00 O HETATM 1417 O HOH 32 9.545 72.849 60.023 1.00 25.38 O HETATM 1418 O HOH 33 9.476 92.449 72.187 1.00 51.35 O HETATM 1419 O HOH 34 -5.861 85.880 59.633 1.00 32.89 O HETATM 1420 O HOH 36 7.157 82.898 77.009 1.00 29.58 O HETATM 1421 O HOH 37 7.195 86.514 41.229 1.00 23.08 O HETATM 1422 O HOH 38 23.267 75.210 32.319 1.00 28.34 O HETATM 1423 O HOH 39 24.112 94.011 36.875 1.00 32.11 O HETATM 1424 O HOH 40 -2.125 79.972 58.743 1.00 20.81 O HETATM 1425 O HOH 42 11.229 76.303 48.458 1.00 30.14 O HETATM 1426 O HOH 44 22.841 79.431 42.121 1.00 31.68 O HETATM 1427 O HOH 45 3.089 74.727 48.208 1.00 33.64 O HETATM 1428 O HOH 46 10.283 71.169 65.695 1.00 26.07 O HETATM 1429 O HOH 47 18.776 71.821 57.369 1.00 43.24 O HETATM 1430 O HOH 48 19.357 93.915 31.238 1.00 26.68 O HETATM 1431 O HOH 49 6.753 84.123 33.300 1.00 37.03 O HETATM 1432 O HOH 50 11.797 73.523 71.658 1.00 29.39 O HETATM 1433 O HOH 52 14.704 81.168 25.413 1.00 27.03 O HETATM 1434 O HOH 53 9.891 94.293 54.960 1.00 34.16 O HETATM 1435 O HOH 54 13.834 86.136 74.927 1.00 38.50 O HETATM 1436 O HOH 57 14.776 102.512 23.577 1.00 29.11 O HETATM 1437 O HOH 58 1.683 72.419 59.012 1.00 29.59 O HETATM 1438 O HOH 59 17.371 95.813 44.775 1.00 32.10 O HETATM 1439 O HOH 60 1.525 90.296 55.278 1.00 51.92 O HETATM 1440 O HOH 64 14.297 95.067 53.826 1.00 50.48 O HETATM 1441 O HOH 65 21.459 73.828 45.886 1.00 47.65 O HETATM 1442 O HOH 66 25.634 88.376 51.728 1.00 51.55 O HETATM 1443 O HOH 67 5.773 89.799 42.587 1.00 36.21 O HETATM 1444 O HOH 68 7.196 82.406 31.196 1.00 29.74 O HETATM 1445 O HOH 69 10.190 78.588 78.039 1.00 53.51 O HETATM 1446 O HOH 70 11.636 80.257 79.108 1.00 37.52 O HETATM 1447 O HOH 71 6.752 90.298 78.148 1.00 39.39 O HETATM 1448 O HOH 72 32.922 82.735 31.372 1.00 48.99 O HETATM 1449 O HOH 73 28.998 85.060 46.798 1.00 36.55 O HETATM 1450 O HOH 75 8.358 86.067 33.862 1.00 29.01 O HETATM 1451 O HOH 76 -3.715 78.159 60.205 1.00 44.39 O HETATM 1452 O HOH 77 15.103 92.054 47.993 1.00 43.03 O HETATM 1453 O HOH 78 31.131 86.305 47.361 1.00 39.88 O HETATM 1454 O HOH 79 9.818 93.171 44.395 1.00 31.85 O HETATM 1455 O HOH 80 7.774 70.556 45.874 1.00 39.65 O HETATM 1456 O HOH 82 13.856 95.635 43.471 1.00 43.44 O HETATM 1457 O HOH 83 1.271 89.504 38.352 1.00 51.20 O HETATM 1458 O HOH 84 12.255 92.577 49.754 1.00 55.28 O HETATM 1459 O HOH 85 9.504 97.000 46.000 0.50 48.70 O HETATM 1460 O HOH 86 8.837 93.636 68.017 1.00 30.47 O HETATM 1461 O HOH 87 13.130 71.317 38.307 1.00 55.29 O HETATM 1462 O HOH 88 22.543 78.367 27.476 1.00 29.48 O HETATM 1463 O HOH 89 19.434 70.724 70.066 1.00 36.39 O HETATM 1464 O HOH 90 18.434 79.589 24.630 1.00 36.26 O HETATM 1465 O HOH 91 13.064 78.326 78.405 1.00 38.96 O HETATM 1466 O HOH 92 30.560 100.642 39.084 1.00 49.67 O HETATM 1467 O HOH 93 1.187 74.004 71.241 1.00 30.70 O HETATM 1468 O HOH 95 12.178 97.096 40.982 1.00 45.33 O HETATM 1469 O HOH 96 11.871 96.132 27.470 1.00 30.10 O HETATM 1470 O HOH 97 -4.604 74.378 57.118 1.00 58.79 O HETATM 1471 O HOH 98 18.533 74.238 55.095 1.00 56.88 O HETATM 1472 O HOH 99 22.722 71.702 61.884 1.00 36.67 O HETATM 1473 O HOH 100 20.400 86.112 69.000 0.50 35.81 O HETATM 1474 O HOH 103 19.906 75.816 26.169 1.00 51.45 O HETATM 1475 O HOH 104 27.375 86.464 26.790 1.00 49.44 O HETATM 1476 O HOH 105 20.400 89.535 23.000 0.50 30.86 O HETATM 1477 O HOH 106 10.045 95.278 36.689 1.00 39.99 O HETATM 1478 O HOH 107 23.735 74.987 45.974 1.00 43.75 O HETATM 1479 O HOH 108 -3.791 87.171 56.141 1.00 36.55 O HETATM 1480 O HOH 110 7.466 72.723 47.331 1.00 51.54 O HETATM 1481 O HOH 112 1.965 81.629 35.858 1.00 44.43 O HETATM 1482 O HOH 114 23.730 83.464 57.065 1.00 31.07 O HETATM 1483 O HOH 115 8.070 93.344 32.957 1.00 35.18 O HETATM 1484 O HOH 116 3.366 83.445 26.584 1.00 51.60 O HETATM 1485 O HOH 117 17.963 100.930 25.173 1.00 41.21 O HETATM 1486 O HOH 118 29.881 89.622 48.691 1.00 49.18 O HETATM 1487 O HOH 119 -1.869 101.650 63.551 1.00 43.76 O HETATM 1488 O HOH 120 6.219 91.826 23.725 1.00 40.73 O HETATM 1489 O HOH 121 0.945 72.250 63.235 1.00 37.55 O HETATM 1490 O HOH 122 24.998 87.781 26.772 1.00 48.37 O HETATM 1491 O HOH 123 -9.198 96.369 63.188 1.00 67.00 O HETATM 1492 O HOH 124 -0.664 83.252 35.847 1.00 45.01 O HETATM 1493 O HOH 125 2.935 88.296 29.755 1.00 54.19 O HETATM 1494 O HOH 127 31.735 71.507 41.803 1.00 57.06 O HETATM 1495 O HOH 128 2.374 75.404 28.316 1.00 39.91 O HETATM 1496 O HOH 129 -3.555 90.226 54.231 1.00 33.50 O HETATM 1497 O HOH 131 17.256 73.023 27.602 1.00 50.74 O HETATM 1498 O HOH 132 22.918 90.487 47.071 1.00 59.83 O HETATM 1499 O HOH 133 1.271 91.390 71.356 1.00 43.85 O HETATM 1500 O HOH 134 16.901 94.518 52.172 1.00 41.91 O HETATM 1501 O HOH 135 20.274 69.031 63.303 1.00 40.94 O HETATM 1502 O HOH 136 -9.804 93.497 62.420 1.00 46.22 O HETATM 1503 O HOH 138 -1.162 100.555 61.125 1.00 47.01 O HETATM 1504 O HOH 139 0.164 90.403 50.326 1.00 56.03 O HETATM 1505 O HOH 140 25.699 97.953 43.596 1.00 43.99 O HETATM 1506 O HOH 141 9.832 99.732 26.275 1.00 54.42 O HETATM 1507 O HOH 142 9.458 74.222 53.022 1.00 30.00 O HETATM 1508 O HOH 143 27.189 90.690 56.431 1.00 42.61 O HETATM 1509 O HOH 145 24.009 95.841 41.470 1.00 43.14 O HETATM 1510 O HOH 146 11.762 71.262 33.790 1.00 52.93 O HETATM 1511 O HOH 148 20.289 85.812 62.025 1.00 35.06 O HETATM 1512 O HOH 149 22.623 91.932 25.342 1.00 42.70 O HETATM 1513 O HOH 151 30.921 94.909 30.598 1.00 48.46 O HETATM 1514 O HOH 152 4.747 98.752 65.002 1.00 25.24 O HETATM 1515 O HOH 153 11.008 95.967 22.166 1.00 41.52 O HETATM 1516 O HOH 154 13.311 72.695 52.085 1.00 44.31 O HETATM 1517 O HOH 156 3.491 86.255 27.869 1.00 55.26 O HETATM 1518 O HOH 158 14.224 105.432 22.109 1.00 31.84 O HETATM 1519 O HOH 159 13.355 79.054 22.659 1.00 48.82 O HETATM 1520 O HOH 160 17.879 73.385 49.423 1.00 52.81 O HETATM 1521 O HOH 161 -1.911 77.731 61.831 1.00 35.28 O HETATM 1522 O HOH 162 16.047 72.980 50.976 1.00 49.53 O HETATM 1523 O HOH 165 8.261 73.032 32.099 1.00 35.42 O HETATM 1524 O HOH 170 26.864 89.394 60.515 1.00 58.09 O HETATM 1525 O HOH 173 1.038 91.183 32.177 1.00 52.09 O HETATM 1526 O HOH 174 8.525 69.956 63.562 1.00 37.20 O HETATM 1527 O HOH 175 4.878 72.276 36.596 1.00 50.01 O HETATM 1528 O HOH 176 -2.908 89.148 49.840 1.00 69.62 O HETATM 1529 O HOH 179 -5.263 88.031 53.816 1.00 71.27 O HETATM 1530 O HOH 180 10.478 88.588 75.856 1.00 49.31 O HETATM 1531 O HOH 181 5.699 89.578 39.939 1.00 38.68 O HETATM 1532 O HOH 183 28.305 85.626 43.083 1.00 28.25 O HETATM 1533 O HOH 184 21.829 94.517 29.869 1.00 52.43 O HETATM 1534 O HOH 186 1.308 81.962 31.257 1.00 48.09 O HETATM 1535 O HOH 188 19.169 108.590 24.981 1.00 41.68 O HETATM 1536 O HOH 189 -4.189 78.471 56.541 1.00 41.55 O HETATM 1537 O HOH 190 10.327 70.163 70.779 1.00 45.00 O HETATM 1538 O HOH 195 32.953 95.084 45.732 1.00 61.78 O HETATM 1539 O HOH 196 22.876 98.493 37.289 1.00 67.09 O HETATM 1540 O HOH 202 10.836 82.483 23.115 1.00 42.24 O HETATM 1541 O HOH 203 -0.409 88.762 56.394 1.00 30.24 O HETATM 1542 O HOH 205 6.353 90.201 30.449 1.00 51.47 O HETATM 1543 O HOH 206 24.807 98.443 40.686 1.00 37.78 O HETATM 1544 O HOH 210 16.619 73.673 53.209 1.00 54.34 O HETATM 1545 O HOH 213 13.240 82.874 72.477 1.00 51.36 O HETATM 1546 O HOH 214 8.273 94.500 51.765 1.00 37.93 O HETATM 1547 O HOH 215 7.968 99.468 51.503 1.00 37.84 O HETATM 1548 O HOH 216 5.649 81.569 78.864 1.00 41.73 O HETATM 1549 O HOH 217 6.009 74.479 74.907 1.00 31.09 O HETATM 1550 O HOH 218 10.862 88.873 70.135 1.00 39.45 O HETATM 1551 O HOH 219 10.561 99.301 39.921 1.00 43.03 O HETATM 1552 O HOH 220 2.586 95.856 58.802 1.00 43.62 O HETATM 1553 O HOH 221 2.825 82.293 40.747 1.00 32.82 O HETATM 1554 O HOH 222 2.075 77.036 36.436 1.00 42.27 O HETATM 1555 O HOH 223 26.397 77.710 45.417 1.00 40.94 O HETATM 1556 O HOH 224 4.053 90.394 29.162 1.00 40.33 O HETATM 1557 O HOH 225 10.295 71.144 62.001 1.00 48.00 O HETATM 1558 O HOH 226 21.212 88.569 45.568 1.00 45.00 O HETATM 1559 O HOH 227 15.827 87.442 74.503 1.00 37.80 O HETATM 1560 O HOH 228 23.738 93.705 23.884 1.00 47.39 O HETATM 1561 O HOH 229 0.165 80.753 43.959 1.00 35.68 O HETATM 1562 O HOH 230 12.815 109.828 22.640 1.00 44.72 O HETATM 1563 O HOH 231 7.824 83.899 26.864 1.00 43.65 O HETATM 1564 O HOH 232 21.373 94.588 23.335 1.00 47.40 O HETATM 1565 O HOH 233 6.129 82.715 28.739 1.00 51.96 O HETATM 1566 O HOH 234 1.754 87.293 46.862 1.00 38.16 O HETATM 1567 O HOH 235 26.304 87.963 30.485 1.00 28.17 O HETATM 1568 O HOH 236 21.786 95.040 46.219 1.00 43.76 O HETATM 1569 O HOH 237 27.170 100.488 40.776 1.00 45.94 O HETATM 1570 O HOH 238 35.747 90.643 37.194 1.00 48.41 O HETATM 1571 O HOH 239 18.195 72.354 36.636 1.00 48.95 O HETATM 1572 O HOH 240 18.035 94.453 49.565 1.00 44.82 O HETATM 1573 O HOH 241 18.060 73.904 31.371 1.00 48.93 O HETATM 1574 O HOH 242 17.435 73.917 46.244 1.00 48.87 O CONECT 1375 1376 1377 1378 1379 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1375 CONECT 1380 1381 1382 1383 1384 CONECT 1381 1380 CONECT 1382 1380 CONECT 1383 1380 CONECT 1384 1380 CONECT 1385 1386 1387 1388 1389 CONECT 1386 1385 CONECT 1387 1385 CONECT 1388 1385 CONECT 1389 1385 MASTER 276 0 3 6 10 0 0 9 1572 2 15 14 END