Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 15-MAY-10 3N1K TITLE CRYSTAL STRUCTURE OF A STWHY2-CERE32 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN STWHY2; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA 32-MER CERE32; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM TUBEROSUM; SOURCE 3 ORGANISM_COMMON: POTATO; SOURCE 4 ORGANISM_TAXID: 4113; SOURCE 5 STRAIN: KENNEBEC; SOURCE 6 GENE: STWHY2; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21A; SOURCE 12 MOL_ID: 2; SOURCE 13 SYNTHETIC: YES; SOURCE 14 OTHER_DETAILS: DNA SYNTHESIS KEYWDS SINGLE-STRANDED DNA BINDING PROTEIN, PLANT, WHIRLY, PROTEIN-DNA KEYWDS 2 COMPLEX, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR L.CAPPADOCIA,N.BRISSON,J.SYGUSCH REVDAT 2 17-JUL-19 3N1K 1 REMARK DBREF REVDAT 1 11-AUG-10 3N1K 0 JRNL AUTH L.CAPPADOCIA,A.MARECHAL,J.S.PARENT,E.LEPAGE,J.SYGUSCH, JRNL AUTH 2 N.BRISSON JRNL TITL CRYSTAL STRUCTURES OF DNA-WHIRLY COMPLEXES AND THEIR ROLE IN JRNL TITL 2 ARABIDOPSIS ORGANELLE GENOME REPAIR. JRNL REF PLANT CELL V. 22 1849 2010 JRNL REFN ISSN 1040-4651 JRNL PMID 20551348 JRNL DOI 10.1105/TPC.109.071399 REMARK 2 REMARK 2 RESOLUTION. 2.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.73 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.050 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.5 REMARK 3 NUMBER OF REFLECTIONS : 5624 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.213 REMARK 3 R VALUE (WORKING SET) : 0.208 REMARK 3 FREE R VALUE : 0.257 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 11.170 REMARK 3 FREE R VALUE TEST SET COUNT : 628 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 41.7385 - 4.2885 0.99 1414 167 0.2117 0.2378 REMARK 3 2 4.2885 - 3.4044 0.99 1264 168 0.1772 0.2405 REMARK 3 3 3.4044 - 2.9742 0.96 1221 155 0.2090 0.2968 REMARK 3 4 2.9742 - 2.7023 0.87 1097 138 0.2661 0.3224 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.31 REMARK 3 B_SOL : 58.24 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 2.440 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 64.98 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 62.14 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.006 1513 REMARK 3 ANGLE : 0.953 2083 REMARK 3 CHIRALITY : 0.060 225 REMARK 3 PLANARITY : 0.003 236 REMARK 3 DIHEDRAL : 18.431 558 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3N1K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JUL-10. REMARK 100 THE DEPOSITION ID IS D_1000059263. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JUN-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.10 REMARK 200 MONOCHROMATOR : SI 220 CHANNEL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5865 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 30.50 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.09000 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 12.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.0 REMARK 200 DATA REDUNDANCY IN SHELL : 5.90 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.68000 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX, CNS REMARK 200 STARTING MODEL: PDB ENTRY 1L3A REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.63 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.16 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 19% PEG6000, 0.1M TRIS, 1.5M LICL, PH REMARK 280 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z,-X,-Y REMARK 290 7555 -Z,-X,Y REMARK 290 8555 -Z,X,-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z,-X REMARK 290 11555 Y,-Z,-X REMARK 290 12555 -Y,-Z,X REMARK 290 13555 Y,X,-Z REMARK 290 14555 -Y,-X,-Z REMARK 290 15555 Y,-X,Z REMARK 290 16555 -Y,X,Z REMARK 290 17555 X,Z,-Y REMARK 290 18555 -X,Z,Y REMARK 290 19555 -X,-Z,-Y REMARK 290 20555 X,-Z,Y REMARK 290 21555 Z,Y,-X REMARK 290 22555 Z,-Y,X REMARK 290 23555 -Z,Y,X REMARK 290 24555 -Z,-Y,-X REMARK 290 25555 X,Y+1/2,Z+1/2 REMARK 290 26555 -X,-Y+1/2,Z+1/2 REMARK 290 27555 -X,Y+1/2,-Z+1/2 REMARK 290 28555 X,-Y+1/2,-Z+1/2 REMARK 290 29555 Z,X+1/2,Y+1/2 REMARK 290 30555 Z,-X+1/2,-Y+1/2 REMARK 290 31555 -Z,-X+1/2,Y+1/2 REMARK 290 32555 -Z,X+1/2,-Y+1/2 REMARK 290 33555 Y,Z+1/2,X+1/2 REMARK 290 34555 -Y,Z+1/2,-X+1/2 REMARK 290 35555 Y,-Z+1/2,-X+1/2 REMARK 290 36555 -Y,-Z+1/2,X+1/2 REMARK 290 37555 Y,X+1/2,-Z+1/2 REMARK 290 38555 -Y,-X+1/2,-Z+1/2 REMARK 290 39555 Y,-X+1/2,Z+1/2 REMARK 290 40555 -Y,X+1/2,Z+1/2 REMARK 290 41555 X,Z+1/2,-Y+1/2 REMARK 290 42555 -X,Z+1/2,Y+1/2 REMARK 290 43555 -X,-Z+1/2,-Y+1/2 REMARK 290 44555 X,-Z+1/2,Y+1/2 REMARK 290 45555 Z,Y+1/2,-X+1/2 REMARK 290 46555 Z,-Y+1/2,X+1/2 REMARK 290 47555 -Z,Y+1/2,X+1/2 REMARK 290 48555 -Z,-Y+1/2,-X+1/2 REMARK 290 49555 X+1/2,Y,Z+1/2 REMARK 290 50555 -X+1/2,-Y,Z+1/2 REMARK 290 51555 -X+1/2,Y,-Z+1/2 REMARK 290 52555 X+1/2,-Y,-Z+1/2 REMARK 290 53555 Z+1/2,X,Y+1/2 REMARK 290 54555 Z+1/2,-X,-Y+1/2 REMARK 290 55555 -Z+1/2,-X,Y+1/2 REMARK 290 56555 -Z+1/2,X,-Y+1/2 REMARK 290 57555 Y+1/2,Z,X+1/2 REMARK 290 58555 -Y+1/2,Z,-X+1/2 REMARK 290 59555 Y+1/2,-Z,-X+1/2 REMARK 290 60555 -Y+1/2,-Z,X+1/2 REMARK 290 61555 Y+1/2,X,-Z+1/2 REMARK 290 62555 -Y+1/2,-X,-Z+1/2 REMARK 290 63555 Y+1/2,-X,Z+1/2 REMARK 290 64555 -Y+1/2,X,Z+1/2 REMARK 290 65555 X+1/2,Z,-Y+1/2 REMARK 290 66555 -X+1/2,Z,Y+1/2 REMARK 290 67555 -X+1/2,-Z,-Y+1/2 REMARK 290 68555 X+1/2,-Z,Y+1/2 REMARK 290 69555 Z+1/2,Y,-X+1/2 REMARK 290 70555 Z+1/2,-Y,X+1/2 REMARK 290 71555 -Z+1/2,Y,X+1/2 REMARK 290 72555 -Z+1/2,-Y,-X+1/2 REMARK 290 73555 X+1/2,Y+1/2,Z REMARK 290 74555 -X+1/2,-Y+1/2,Z REMARK 290 75555 -X+1/2,Y+1/2,-Z REMARK 290 76555 X+1/2,-Y+1/2,-Z REMARK 290 77555 Z+1/2,X+1/2,Y REMARK 290 78555 Z+1/2,-X+1/2,-Y REMARK 290 79555 -Z+1/2,-X+1/2,Y REMARK 290 80555 -Z+1/2,X+1/2,-Y REMARK 290 81555 Y+1/2,Z+1/2,X REMARK 290 82555 -Y+1/2,Z+1/2,-X REMARK 290 83555 Y+1/2,-Z+1/2,-X REMARK 290 84555 -Y+1/2,-Z+1/2,X REMARK 290 85555 Y+1/2,X+1/2,-Z REMARK 290 86555 -Y+1/2,-X+1/2,-Z REMARK 290 87555 Y+1/2,-X+1/2,Z REMARK 290 88555 -Y+1/2,X+1/2,Z REMARK 290 89555 X+1/2,Z+1/2,-Y REMARK 290 90555 -X+1/2,Z+1/2,Y REMARK 290 91555 -X+1/2,-Z+1/2,-Y REMARK 290 92555 X+1/2,-Z+1/2,Y REMARK 290 93555 Z+1/2,Y+1/2,-X REMARK 290 94555 Z+1/2,-Y+1/2,X REMARK 290 95555 -Z+1/2,Y+1/2,X REMARK 290 96555 -Z+1/2,-Y+1/2,-X 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 0.00000 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 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 83.46700 REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 83.46700 REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 83.46700 REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 83.46700 REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 83.46700 REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: AUTHORS STATE THAT THE BIOLOGICAL UNIT IS A TETRAMER REMARK 300 PROTEIN PLUS A 32-MER DNA MOLECULE, AS INDICATED AS PENTAMER IN REMARK 300 REMARK 350. PLEASE REFER TO REMARK 999 FOR MORE DETAILS ON THE REMARK 300 SEQUENCES SPECIFICITY OF THIS CRYSTAL STRUCTURE. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: OCTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 166.93400 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -166.93400 REMARK 350 BIOMT1 3 0.000000 0.000000 1.000000 166.93400 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 1.000000 0.000000 0.000000 -166.93400 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 47 REMARK 465 ALA A 48 REMARK 465 ASP A 49 REMARK 465 ALA A 50 REMARK 465 GLY A 51 REMARK 465 LYS A 52 REMARK 465 ARG A 53 REMARK 465 GLU A 54 REMARK 465 PRO A 216 REMARK 465 LEU A 217 REMARK 465 GLU A 218 REMARK 465 HIS A 219 REMARK 465 HIS A 220 REMARK 465 HIS A 221 REMARK 465 HIS A 222 REMARK 465 HIS A 223 REMARK 465 HIS A 224 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA B 3 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA B 9 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 90 -93.96 -105.73 REMARK 500 ARG A 106 67.59 38.07 REMARK 500 LEU A 144 29.27 46.62 REMARK 500 ASN A 147 31.87 -95.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3N1H RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF STWHY2 REMARK 900 RELATED ID: 3N1I RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF STWHY2-ERE32 COMPLEX REMARK 900 RELATED ID: 3N1J RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF STWHY2-DT32 COMPLEX REMARK 900 RELATED ID: 3N1L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF STWHY2-RCERE32 COMPLEX REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE SEQUENCE OF THE CRYSTALLIZED DNA IS A 32-MER OLIGONUCLEOTIDE REMARK 999 WITH SEQUENCE TGACAAAAATGACAAAAATGACAAAAATGACA. ONLY 9 RESIDUES OF REMARK 999 DEOXYADENOSINE WERE MODELED IN THE COORDINATES OF THE ASYMMETRIC REMARK 999 UNIT. ACCORDING TO THE AUTHORS, THE 32-MER DNA BINDS A TETRAMER REMARK 999 THAT INCLUDE FOUR MONOMERS OF FOUR ASYMMETRIC UNITS; THE STWHY2-DNA REMARK 999 BINDING IS NOT SEQUENCE SPECIFIC THUS EACH TETRAMERIC PROTEIN BINDS REMARK 999 A 32-MER DNA IN DIFFERENT SEQUENCE REGISTERS; AS A RESULT ONLY REMARK 999 THREE OF THE FOUR DNA-BINDING SITES OF EACH TETRAMER WOULD BE REMARK 999 PHYSICALLY OCCUPIED BY THE DNA. DBREF 3N1K A 47 224 PDB 3N1K 3N1K 47 224 DBREF 3N1K B 1 9 PDB 3N1K 3N1K 1 9 SEQRES 1 A 178 MET ALA ASP ALA GLY LYS ARG GLU GLY ARG VAL PHE ALA SEQRES 2 A 178 PRO TYR SER VAL PHE LYS GLY LYS ALA ALA LEU SER ALA SEQRES 3 A 178 GLU PRO ARG LEU PRO THR PHE ASN ARG LEU ASP SER GLY SEQRES 4 A 178 GLY VAL LYS LEU ASN ARG ARG GLY VAL ILE MET LEU THR SEQRES 5 A 178 PHE TRP PRO SER VAL GLY GLU ARG LYS TYR ASP TRP GLU SEQRES 6 A 178 LYS ARG GLN LEU PHE ALA LEU SER ALA THR GLU VAL GLY SEQRES 7 A 178 SER LEU ILE SER MET GLY THR ARG ASP SER SER GLU PHE SEQRES 8 A 178 PHE HIS ASP PRO SER MET LEU SER SER ASN ALA GLY GLN SEQRES 9 A 178 VAL ARG LYS SER LEU SER ILE LYS PRO ASN ALA ASP GLY SEQRES 10 A 178 SER GLY TYR PHE ILE SER LEU SER VAL VAL ASN ASN ASN SEQRES 11 A 178 LEU LYS THR ASN ASP ARG PHE THR VAL PRO VAL THR THR SEQRES 12 A 178 ALA GLU PHE ALA VAL MET ARG THR ALA PHE SER PHE ALA SEQRES 13 A 178 LEU PRO HIS ILE MET GLY TRP ASP ARG PHE THR ASN ARG SEQRES 14 A 178 PRO LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 9 DA DA DA DA DA DA DA DA DA FORMUL 3 HOH *56(H2 O) HELIX 1 1 ASP A 109 ARG A 113 5 5 HELIX 2 2 SER A 119 SER A 128 1 10 HELIX 3 3 THR A 189 MET A 207 1 19 HELIX 4 4 GLY A 208 PHE A 212 5 5 SHEET 1 A 4 TYR A 61 PHE A 64 0 SHEET 2 A 4 ALA A 68 ARG A 75 -1 O LEU A 70 N VAL A 63 SHEET 3 A 4 VAL A 94 PRO A 101 -1 O TRP A 100 N ALA A 69 SHEET 4 A 4 GLN A 114 LEU A 118 -1 O GLN A 114 N PHE A 99 SHEET 1 B 2 PHE A 79 ARG A 81 0 SHEET 2 B 2 VAL A 87 LEU A 89 -1 O LYS A 88 N ASN A 80 SHEET 1 C 4 SER A 135 HIS A 139 0 SHEET 2 C 4 VAL A 151 PRO A 159 -1 O LYS A 153 N HIS A 139 SHEET 3 C 4 GLY A 165 ASN A 174 -1 O PHE A 167 N LYS A 158 SHEET 4 C 4 THR A 179 THR A 188 -1 O VAL A 185 N ILE A 168 CRYST1 166.934 166.934 166.934 90.00 90.00 90.00 F 4 3 2 96 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 0.005990 0.000000 0.000000 0.00000 SCALE2 0.000000 0.005990 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005990 0.00000 ATOM 1 N GLY A 55 71.417 143.900 -74.117 1.00 79.41 N ATOM 2 CA GLY A 55 70.299 143.374 -73.357 1.00 91.80 C ATOM 3 C GLY A 55 70.025 141.906 -73.632 1.00 92.72 C ATOM 4 O GLY A 55 70.818 141.223 -74.283 1.00 85.86 O ATOM 5 N ARG A 56 68.890 141.420 -73.137 1.00 88.78 N ATOM 6 CA ARG A 56 68.516 140.011 -73.266 1.00 83.69 C ATOM 7 C ARG A 56 68.397 139.595 -74.735 1.00 83.60 C ATOM 8 O ARG A 56 68.271 140.446 -75.616 1.00 83.16 O ATOM 9 CB ARG A 56 67.193 139.769 -72.532 1.00 87.73 C ATOM 10 CG ARG A 56 66.767 138.304 -72.344 1.00 91.52 C ATOM 11 CD ARG A 56 67.428 137.632 -71.138 1.00 90.92 C ATOM 12 NE ARG A 56 66.434 137.036 -70.240 1.00 91.60 N ATOM 13 CZ ARG A 56 65.884 135.834 -70.405 1.00 90.38 C ATOM 14 NH1 ARG A 56 64.985 135.391 -69.532 1.00 77.63 N ATOM 15 NH2 ARG A 56 66.228 135.075 -71.440 1.00 81.40 N ATOM 16 N VAL A 57 68.458 138.286 -74.983 1.00 86.28 N ATOM 17 CA VAL A 57 68.268 137.708 -76.313 1.00 81.32 C ATOM 18 C VAL A 57 67.434 136.425 -76.213 1.00 80.01 C ATOM 19 O VAL A 57 67.686 135.580 -75.350 1.00 77.15 O ATOM 20 CB VAL A 57 69.620 137.407 -77.004 1.00 74.25 C ATOM 21 CG1 VAL A 57 69.411 136.576 -78.258 1.00 63.51 C ATOM 22 CG2 VAL A 57 70.347 138.699 -77.326 1.00 72.17 C ATOM 23 N PHE A 58 66.444 136.287 -77.093 1.00 78.56 N ATOM 24 CA PHE A 58 65.505 135.173 -77.028 1.00 76.54 C ATOM 25 C PHE A 58 65.509 134.356 -78.313 1.00 73.74 C ATOM 26 O PHE A 58 64.788 134.669 -79.261 1.00 77.11 O ATOM 27 CB PHE A 58 64.091 135.686 -76.749 1.00 80.73 C ATOM 28 CG PHE A 58 63.995 136.572 -75.541 1.00 84.34 C ATOM 29 CD1 PHE A 58 64.063 137.950 -75.666 1.00 82.04 C ATOM 30 CD2 PHE A 58 63.842 136.025 -74.277 1.00 88.50 C ATOM 31 CE1 PHE A 58 63.978 138.765 -74.552 1.00 84.54 C ATOM 32 CE2 PHE A 58 63.755 136.838 -73.158 1.00 86.23 C ATOM 33 CZ PHE A 58 63.820 138.207 -73.297 1.00 85.64 C ATOM 34 N ALA A 59 66.327 133.309 -78.341 1.00 69.37 N ATOM 35 CA ALA A 59 66.388 132.414 -79.490 1.00 64.97 C ATOM 36 C ALA A 59 66.503 130.978 -79.000 1.00 60.55 C ATOM 37 O ALA A 59 67.534 130.334 -79.173 1.00 52.87 O ATOM 38 CB ALA A 59 67.560 132.771 -80.372 1.00 58.70 C ATOM 39 N PRO A 60 65.434 130.471 -78.374 1.00 62.98 N ATOM 40 CA PRO A 60 65.494 129.140 -77.770 1.00 56.86 C ATOM 41 C PRO A 60 65.291 128.070 -78.819 1.00 56.41 C ATOM 42 O PRO A 60 64.485 128.257 -79.735 1.00 54.56 O ATOM 43 CB PRO A 60 64.288 129.129 -76.815 1.00 57.30 C ATOM 44 CG PRO A 60 63.626 130.496 -76.944 1.00 61.82 C ATOM 45 CD PRO A 60 64.103 131.078 -78.230 1.00 61.46 C ATOM 46 N TYR A 61 66.008 126.960 -78.689 1.00 52.30 N ATOM 47 CA TYR A 61 65.665 125.781 -79.457 1.00 46.90 C ATOM 48 C TYR A 61 64.517 125.108 -78.733 1.00 46.63 C ATOM 49 O TYR A 61 64.606 124.837 -77.538 1.00 45.59 O ATOM 50 CB TYR A 61 66.854 124.835 -79.587 1.00 47.80 C ATOM 51 CG TYR A 61 66.540 123.604 -80.408 1.00 48.44 C ATOM 52 CD1 TYR A 61 66.168 123.719 -81.744 1.00 43.02 C ATOM 53 CD2 TYR A 61 66.611 122.325 -79.847 1.00 45.16 C ATOM 54 CE1 TYR A 61 65.879 122.593 -82.505 1.00 49.23 C ATOM 55 CE2 TYR A 61 66.327 121.195 -80.595 1.00 43.31 C ATOM 56 CZ TYR A 61 65.961 121.333 -81.926 1.00 49.01 C ATOM 57 OH TYR A 61 65.676 120.221 -82.686 1.00 43.75 O ATOM 58 N SER A 62 63.431 124.854 -79.452 1.00 50.19 N ATOM 59 CA SER A 62 62.233 124.310 -78.833 1.00 48.65 C ATOM 60 C SER A 62 61.771 122.999 -79.466 1.00 48.76 C ATOM 61 O SER A 62 61.925 122.780 -80.668 1.00 49.27 O ATOM 62 CB SER A 62 61.107 125.345 -78.876 1.00 50.90 C ATOM 63 OG SER A 62 61.504 126.547 -78.236 1.00 54.95 O ATOM 64 N VAL A 63 61.200 122.128 -78.641 1.00 47.66 N ATOM 65 CA VAL A 63 60.607 120.892 -79.128 1.00 51.33 C ATOM 66 C VAL A 63 59.192 120.750 -78.575 1.00 49.97 C ATOM 67 O VAL A 63 58.985 120.708 -77.366 1.00 53.03 O ATOM 68 CB VAL A 63 61.447 119.658 -78.743 1.00 48.98 C ATOM 69 CG1 VAL A 63 60.756 118.382 -79.203 1.00 51.18 C ATOM 70 CG2 VAL A 63 62.836 119.756 -79.344 1.00 44.59 C ATOM 71 N PHE A 64 58.217 120.687 -79.468 1.00 47.85 N ATOM 72 CA PHE A 64 56.830 120.608 -79.056 1.00 50.03 C ATOM 73 C PHE A 64 56.287 119.212 -79.337 1.00 54.22 C ATOM 74 O PHE A 64 56.248 118.774 -80.486 1.00 53.63 O ATOM 75 CB PHE A 64 56.007 121.673 -79.785 1.00 51.80 C ATOM 76 CG PHE A 64 56.393 123.088 -79.432 1.00 52.07 C ATOM 77 CD1 PHE A 64 55.698 123.791 -78.462 1.00 52.84 C ATOM 78 CD2 PHE A 64 57.448 123.714 -80.072 1.00 50.15 C ATOM 79 CE1 PHE A 64 56.051 125.092 -78.136 1.00 55.02 C ATOM 80 CE2 PHE A 64 57.808 125.009 -79.746 1.00 46.60 C ATOM 81 CZ PHE A 64 57.108 125.699 -78.779 1.00 52.50 C ATOM 82 N LYS A 65 55.879 118.503 -78.290 1.00 52.82 N ATOM 83 CA LYS A 65 55.335 117.162 -78.478 1.00 51.57 C ATOM 84 C LYS A 65 53.931 117.006 -77.903 1.00 55.58 C ATOM 85 O LYS A 65 53.325 117.974 -77.440 1.00 53.43 O ATOM 86 CB LYS A 65 56.285 116.090 -77.933 1.00 51.42 C ATOM 87 CG LYS A 65 57.591 115.960 -78.732 1.00 57.19 C ATOM 88 CD LYS A 65 57.331 115.623 -80.208 1.00 48.33 C ATOM 89 CE LYS A 65 58.548 115.888 -81.088 1.00 44.39 C ATOM 90 NZ LYS A 65 59.694 114.964 -80.841 1.00 53.32 N ATOM 91 N GLY A 66 53.421 115.779 -77.946 1.00 55.41 N ATOM 92 CA GLY A 66 52.051 115.493 -77.563 1.00 45.86 C ATOM 93 C GLY A 66 51.670 115.982 -76.181 1.00 51.97 C ATOM 94 O GLY A 66 50.693 116.716 -76.015 1.00 46.98 O ATOM 95 N LYS A 67 52.438 115.578 -75.179 1.00 53.16 N ATOM 96 CA LYS A 67 52.075 115.899 -73.809 1.00 52.39 C ATOM 97 C LYS A 67 52.788 117.130 -73.226 1.00 57.13 C ATOM 98 O LYS A 67 52.273 117.737 -72.284 1.00 59.89 O ATOM 99 CB LYS A 67 52.199 114.659 -72.909 1.00 55.87 C ATOM 100 CG LYS A 67 51.240 113.530 -73.301 1.00 54.76 C ATOM 101 CD LYS A 67 50.650 112.812 -72.075 1.00 67.79 C ATOM 102 CE LYS A 67 51.318 111.469 -71.785 1.00 71.00 C ATOM 103 NZ LYS A 67 51.036 110.424 -72.830 1.00 71.77 N ATOM 104 N ALA A 68 53.941 117.514 -73.780 1.00 53.03 N ATOM 105 CA ALA A 68 54.648 118.703 -73.274 1.00 56.77 C ATOM 106 C ALA A 68 55.648 119.351 -74.249 1.00 54.63 C ATOM 107 O ALA A 68 55.966 118.785 -75.300 1.00 48.77 O ATOM 108 CB ALA A 68 55.333 118.387 -71.939 1.00 46.84 C ATOM 109 N ALA A 69 56.132 120.541 -73.879 1.00 52.30 N ATOM 110 CA ALA A 69 57.130 121.269 -74.661 1.00 49.45 C ATOM 111 C ALA A 69 58.462 121.415 -73.921 1.00 51.09 C ATOM 112 O ALA A 69 58.505 121.512 -72.693 1.00 49.23 O ATOM 113 CB ALA A 69 56.603 122.637 -75.056 1.00 49.45 C ATOM 114 N LEU A 70 59.548 121.443 -74.688 1.00 55.16 N ATOM 115 CA LEU A 70 60.893 121.595 -74.146 1.00 47.81 C ATOM 116 C LEU A 70 61.571 122.780 -74.812 1.00 49.11 C ATOM 117 O LEU A 70 61.528 122.924 -76.031 1.00 52.30 O ATOM 118 CB LEU A 70 61.712 120.337 -74.425 1.00 48.83 C ATOM 119 CG LEU A 70 62.791 119.931 -73.422 1.00 48.21 C ATOM 120 CD1 LEU A 70 63.693 118.884 -74.055 1.00 46.90 C ATOM 121 CD2 LEU A 70 63.596 121.111 -72.914 1.00 43.86 C ATOM 122 N SER A 71 62.206 123.624 -74.011 1.00 51.24 N ATOM 123 CA SER A 71 62.939 124.764 -74.531 1.00 46.66 C ATOM 124 C SER A 71 64.347 124.774 -73.946 1.00 47.47 C ATOM 125 O SER A 71 64.529 124.508 -72.766 1.00 47.16 O ATOM 126 CB SER A 71 62.218 126.047 -74.146 1.00 48.91 C ATOM 127 OG SER A 71 62.546 127.092 -75.035 1.00 55.06 O ATOM 128 N ALA A 72 65.345 125.079 -74.766 1.00 48.59 N ATOM 129 CA ALA A 72 66.718 125.174 -74.272 1.00 46.08 C ATOM 130 C ALA A 72 67.418 126.443 -74.741 1.00 45.69 C ATOM 131 O ALA A 72 67.546 126.690 -75.941 1.00 48.79 O ATOM 132 CB ALA A 72 67.520 123.949 -74.688 1.00 44.41 C ATOM 133 N GLU A 73 67.875 127.255 -73.800 1.00 43.36 N ATOM 134 CA GLU A 73 68.703 128.395 -74.179 1.00 50.44 C ATOM 135 C GLU A 73 69.781 128.729 -73.155 1.00 45.22 C ATOM 136 O GLU A 73 69.576 128.580 -71.953 1.00 48.10 O ATOM 137 CB GLU A 73 67.853 129.626 -74.505 1.00 56.40 C ATOM 138 CG GLU A 73 66.976 130.094 -73.365 1.00 66.26 C ATOM 139 CD GLU A 73 66.152 131.317 -73.719 1.00 74.51 C ATOM 140 OE1 GLU A 73 66.355 131.891 -74.818 1.00 76.06 O ATOM 141 OE2 GLU A 73 65.299 131.704 -72.890 1.00 82.56 O ATOM 142 N PRO A 74 70.946 129.165 -73.648 1.00 45.48 N ATOM 143 CA PRO A 74 72.109 129.567 -72.847 1.00 45.39 C ATOM 144 C PRO A 74 71.872 130.832 -72.022 1.00 51.31 C ATOM 145 O PRO A 74 71.353 131.827 -72.530 1.00 55.54 O ATOM 146 CB PRO A 74 73.185 129.854 -73.901 1.00 45.09 C ATOM 147 CG PRO A 74 72.712 129.176 -75.153 1.00 50.53 C ATOM 148 CD PRO A 74 71.229 129.160 -75.095 1.00 45.60 C ATOM 149 N ARG A 75 72.240 130.773 -70.749 1.00 43.43 N ATOM 150 CA ARG A 75 72.363 131.952 -69.919 1.00 43.82 C ATOM 151 C ARG A 75 73.853 132.195 -69.743 1.00 51.21 C ATOM 152 O ARG A 75 74.563 131.353 -69.194 1.00 53.21 O ATOM 153 CB ARG A 75 71.708 131.723 -68.557 1.00 52.71 C ATOM 154 CG ARG A 75 70.374 132.431 -68.337 1.00 63.05 C ATOM 155 CD ARG A 75 69.317 132.043 -69.368 1.00 64.94 C ATOM 156 NE ARG A 75 67.967 132.096 -68.805 1.00 65.65 N ATOM 157 CZ ARG A 75 66.869 131.714 -69.452 1.00 72.83 C ATOM 158 NH1 ARG A 75 66.958 131.258 -70.696 1.00 68.94 N ATOM 159 NH2 ARG A 75 65.682 131.785 -68.855 1.00 70.41 N ATOM 160 N LEU A 76 74.331 133.335 -70.226 1.00 54.74 N ATOM 161 CA LEU A 76 75.753 133.647 -70.179 1.00 53.59 C ATOM 162 C LEU A 76 76.202 133.946 -68.765 1.00 55.50 C ATOM 163 O LEU A 76 75.390 134.311 -67.916 1.00 54.16 O ATOM 164 CB LEU A 76 76.062 134.837 -71.078 1.00 53.41 C ATOM 165 CG LEU A 76 75.833 134.569 -72.561 1.00 62.68 C ATOM 166 CD1 LEU A 76 75.787 135.882 -73.324 1.00 69.81 C ATOM 167 CD2 LEU A 76 76.916 133.642 -73.114 1.00 60.08 C ATOM 168 N PRO A 77 77.507 133.795 -68.508 1.00 55.50 N ATOM 169 CA PRO A 77 78.084 134.058 -67.191 1.00 58.38 C ATOM 170 C PRO A 77 78.126 135.550 -66.936 1.00 61.66 C ATOM 171 O PRO A 77 78.152 136.331 -67.887 1.00 64.07 O ATOM 172 CB PRO A 77 79.523 133.541 -67.320 1.00 58.55 C ATOM 173 CG PRO A 77 79.628 132.921 -68.672 1.00 58.40 C ATOM 174 CD PRO A 77 78.542 133.490 -69.505 1.00 57.04 C ATOM 175 N THR A 78 78.142 135.939 -65.667 1.00 67.27 N ATOM 176 CA THR A 78 78.333 137.334 -65.308 1.00 70.60 C ATOM 177 C THR A 78 79.784 137.555 -64.920 1.00 70.48 C ATOM 178 O THR A 78 80.423 136.672 -64.352 1.00 70.03 O ATOM 179 CB THR A 78 77.437 137.742 -64.139 1.00 67.25 C ATOM 180 OG1 THR A 78 77.646 136.840 -63.047 1.00 70.32 O ATOM 181 CG2 THR A 78 75.979 137.696 -64.554 1.00 69.41 C ATOM 182 N PHE A 79 80.305 138.732 -65.240 1.00 73.59 N ATOM 183 CA PHE A 79 81.687 139.063 -64.918 1.00 76.56 C ATOM 184 C PHE A 79 81.764 140.234 -63.941 1.00 80.86 C ATOM 185 O PHE A 79 80.800 140.982 -63.776 1.00 85.98 O ATOM 186 CB PHE A 79 82.475 139.373 -66.194 1.00 70.99 C ATOM 187 CG PHE A 79 82.650 138.185 -67.098 1.00 73.99 C ATOM 188 CD1 PHE A 79 81.617 137.764 -67.919 1.00 75.82 C ATOM 189 CD2 PHE A 79 83.847 137.485 -67.125 1.00 74.07 C ATOM 190 CE1 PHE A 79 81.774 136.663 -68.753 1.00 73.60 C ATOM 191 CE2 PHE A 79 84.011 136.388 -67.955 1.00 70.43 C ATOM 192 CZ PHE A 79 82.972 135.977 -68.768 1.00 68.87 C ATOM 193 N ASN A 80 82.911 140.371 -63.282 1.00 83.03 N ATOM 194 CA ASN A 80 83.186 141.513 -62.420 1.00 80.74 C ATOM 195 C ASN A 80 84.493 142.157 -62.833 1.00 84.50 C ATOM 196 O ASN A 80 85.546 141.519 -62.781 1.00 87.93 O ATOM 197 CB ASN A 80 83.292 141.086 -60.958 1.00 72.16 C ATOM 198 CG ASN A 80 81.942 140.884 -60.308 1.00 81.28 C ATOM 199 OD1 ASN A 80 80.914 141.331 -60.824 1.00 86.83 O ATOM 200 ND2 ASN A 80 81.934 140.209 -59.163 1.00 77.63 N ATOM 201 N ARG A 81 84.443 143.414 -63.253 1.00 88.67 N ATOM 202 CA ARG A 81 85.680 144.119 -63.562 1.00 94.18 C ATOM 203 C ARG A 81 86.450 144.344 -62.275 1.00 90.76 C ATOM 204 O ARG A 81 85.975 145.043 -61.378 1.00 90.22 O ATOM 205 CB ARG A 81 85.396 145.454 -64.247 1.00102.05 C ATOM 206 CG ARG A 81 84.510 145.323 -65.475 1.00111.29 C ATOM 207 CD ARG A 81 84.104 146.685 -66.024 1.00120.85 C ATOM 208 NE ARG A 81 82.701 146.708 -66.442 1.00122.85 N ATOM 209 CZ ARG A 81 82.077 147.771 -66.943 1.00120.40 C ATOM 210 NH1 ARG A 81 82.729 148.912 -67.105 1.00120.88 N ATOM 211 NH2 ARG A 81 80.797 147.688 -67.286 1.00115.53 N ATOM 212 N LEU A 82 87.627 143.731 -62.178 1.00 94.39 N ATOM 213 CA LEU A 82 88.478 143.884 -61.002 1.00 96.44 C ATOM 214 C LEU A 82 89.013 145.315 -60.944 1.00106.41 C ATOM 215 O LEU A 82 88.825 146.084 -61.893 1.00108.69 O ATOM 216 CB LEU A 82 89.633 142.881 -61.040 1.00 95.90 C ATOM 217 CG LEU A 82 89.287 141.393 -61.015 1.00 92.75 C ATOM 218 CD1 LEU A 82 90.534 140.541 -60.795 1.00 92.69 C ATOM 219 CD2 LEU A 82 88.275 141.127 -59.927 1.00 89.92 C ATOM 220 N ASP A 83 89.658 145.681 -59.834 1.00108.82 N ATOM 221 CA ASP A 83 90.259 147.009 -59.710 1.00107.94 C ATOM 222 C ASP A 83 91.722 146.920 -60.126 1.00107.32 C ATOM 223 O ASP A 83 92.477 147.890 -60.031 1.00111.04 O ATOM 224 CB ASP A 83 90.118 147.564 -58.284 1.00103.77 C ATOM 225 CG ASP A 83 90.100 149.095 -58.248 1.00105.62 C ATOM 226 OD1 ASP A 83 90.614 149.721 -59.203 1.00104.84 O ATOM 227 OD2 ASP A 83 89.569 149.674 -57.270 1.00 96.47 O ATOM 228 N SER A 84 92.107 145.735 -60.587 1.00105.95 N ATOM 229 CA SER A 84 93.417 145.526 -61.180 1.00110.40 C ATOM 230 C SER A 84 93.366 145.860 -62.671 1.00110.63 C ATOM 231 O SER A 84 94.400 145.899 -63.341 1.00112.66 O ATOM 232 CB SER A 84 93.865 144.074 -60.992 1.00114.85 C ATOM 233 OG SER A 84 93.786 143.675 -59.631 1.00114.05 O ATOM 234 N GLY A 85 92.157 146.091 -63.183 1.00108.07 N ATOM 235 CA GLY A 85 91.959 146.415 -64.587 1.00107.14 C ATOM 236 C GLY A 85 91.287 145.312 -65.391 1.00 99.21 C ATOM 237 O GLY A 85 90.405 145.573 -66.208 1.00 94.22 O ATOM 238 N GLY A 86 91.708 144.074 -65.156 1.00100.45 N ATOM 239 CA GLY A 86 91.170 142.931 -65.870 1.00 92.30 C ATOM 240 C GLY A 86 89.733 142.604 -65.509 1.00 89.33 C ATOM 241 O GLY A 86 89.031 143.412 -64.903 1.00 90.35 O ATOM 242 N VAL A 87 89.298 141.406 -65.887 1.00 90.22 N ATOM 243 CA VAL A 87 87.927 140.966 -65.651 1.00 85.65 C ATOM 244 C VAL A 87 87.891 139.578 -65.018 1.00 82.63 C ATOM 245 O VAL A 87 88.699 138.713 -65.350 1.00 85.81 O ATOM 246 CB VAL A 87 87.122 140.934 -66.959 1.00 81.13 C ATOM 247 CG1 VAL A 87 85.675 140.577 -66.678 1.00 85.70 C ATOM 248 CG2 VAL A 87 87.216 142.272 -67.667 1.00 84.78 C ATOM 249 N LYS A 88 86.954 139.368 -64.103 1.00 78.38 N ATOM 250 CA LYS A 88 86.850 138.096 -63.409 1.00 78.67 C ATOM 251 C LYS A 88 85.473 137.496 -63.598 1.00 78.98 C ATOM 252 O LYS A 88 84.467 138.189 -63.472 1.00 77.57 O ATOM 253 CB LYS A 88 87.112 138.276 -61.915 1.00 83.08 C ATOM 254 CG LYS A 88 86.722 137.066 -61.086 1.00 83.40 C ATOM 255 CD LYS A 88 86.379 137.459 -59.663 1.00 88.00 C ATOM 256 CE LYS A 88 85.614 136.346 -58.957 1.00 85.64 C ATOM 257 NZ LYS A 88 85.020 136.812 -57.672 1.00 86.23 N ATOM 258 N LEU A 89 85.424 136.203 -63.892 1.00 79.02 N ATOM 259 CA LEU A 89 84.145 135.521 -64.004 1.00 74.49 C ATOM 260 C LEU A 89 83.506 135.398 -62.628 1.00 69.95 C ATOM 261 O LEU A 89 84.156 134.977 -61.668 1.00 62.04 O ATOM 262 CB LEU A 89 84.314 134.145 -64.648 1.00 76.01 C ATOM 263 CG LEU A 89 83.002 133.449 -65.023 1.00 71.97 C ATOM 264 CD1 LEU A 89 83.200 132.573 -66.242 1.00 69.87 C ATOM 265 CD2 LEU A 89 82.440 132.647 -63.852 1.00 71.47 C ATOM 266 N ASN A 90 82.231 135.769 -62.549 1.00 68.70 N ATOM 267 CA ASN A 90 81.499 135.815 -61.285 1.00 75.48 C ATOM 268 C ASN A 90 80.498 134.665 -61.123 1.00 75.19 C ATOM 269 O ASN A 90 80.859 133.586 -60.646 1.00 72.30 O ATOM 270 CB ASN A 90 80.791 137.165 -61.137 1.00 75.71 C ATOM 271 CG ASN A 90 80.125 137.329 -59.789 1.00 81.13 C ATOM 272 OD1 ASN A 90 80.417 136.589 -58.844 1.00 80.31 O ATOM 273 ND2 ASN A 90 79.222 138.303 -59.690 1.00 79.16 N ATOM 274 N ARG A 91 79.239 134.898 -61.496 1.00 70.44 N ATOM 275 CA ARG A 91 78.254 133.820 -61.512 1.00 70.48 C ATOM 276 C ARG A 91 78.340 133.038 -62.819 1.00 70.37 C ATOM 277 O ARG A 91 78.465 133.620 -63.902 1.00 67.47 O ATOM 278 CB ARG A 91 76.826 134.341 -61.324 1.00 76.66 C ATOM 279 CG ARG A 91 75.791 133.213 -61.223 1.00 78.28 C ATOM 280 CD ARG A 91 74.359 133.724 -61.138 1.00 84.75 C ATOM 281 NE ARG A 91 73.923 134.399 -62.360 1.00 88.53 N ATOM 282 CZ ARG A 91 72.649 134.627 -62.674 1.00 94.25 C ATOM 283 NH1 ARG A 91 71.679 134.220 -61.860 1.00 91.60 N ATOM 284 NH2 ARG A 91 72.343 135.250 -63.808 1.00 86.16 N ATOM 285 N ARG A 92 78.263 131.717 -62.724 1.00 64.30 N ATOM 286 CA ARG A 92 78.456 130.880 -63.904 1.00 64.10 C ATOM 287 C ARG A 92 77.251 130.781 -64.837 1.00 60.15 C ATOM 288 O ARG A 92 76.094 130.852 -64.399 1.00 59.16 O ATOM 289 CB ARG A 92 78.938 129.487 -63.511 1.00 64.33 C ATOM 290 CG ARG A 92 80.453 129.331 -63.639 1.00 75.18 C ATOM 291 CD ARG A 92 80.896 129.275 -65.111 1.00 68.27 C ATOM 292 NE ARG A 92 80.977 127.905 -65.624 1.00 66.09 N ATOM 293 CZ ARG A 92 82.092 127.172 -65.641 1.00 70.34 C ATOM 294 NH1 ARG A 92 83.239 127.665 -65.173 1.00 67.61 N ATOM 295 NH2 ARG A 92 82.065 125.937 -66.130 1.00 66.22 N ATOM 296 N GLY A 93 77.540 130.624 -66.128 1.00 55.28 N ATOM 297 CA GLY A 93 76.500 130.462 -67.121 1.00 50.05 C ATOM 298 C GLY A 93 75.936 129.059 -67.093 1.00 47.60 C ATOM 299 O GLY A 93 76.540 128.145 -66.536 1.00 43.88 O ATOM 300 N VAL A 94 74.764 128.880 -67.683 1.00 46.10 N ATOM 301 CA VAL A 94 74.187 127.547 -67.777 1.00 44.86 C ATOM 302 C VAL A 94 73.451 127.393 -69.097 1.00 45.07 C ATOM 303 O VAL A 94 73.418 128.314 -69.912 1.00 45.15 O ATOM 304 CB VAL A 94 73.248 127.214 -66.575 1.00 45.30 C ATOM 305 CG1 VAL A 94 74.025 127.223 -65.270 1.00 40.66 C ATOM 306 CG2 VAL A 94 72.059 128.178 -66.508 1.00 44.22 C ATOM 307 N ILE A 95 72.900 126.209 -69.324 1.00 46.05 N ATOM 308 CA ILE A 95 71.965 126.002 -70.412 1.00 40.78 C ATOM 309 C ILE A 95 70.638 125.776 -69.726 1.00 42.73 C ATOM 310 O ILE A 95 70.449 124.764 -69.058 1.00 44.95 O ATOM 311 CB ILE A 95 72.311 124.755 -71.228 1.00 39.91 C ATOM 312 CG1 ILE A 95 73.594 124.967 -72.026 1.00 36.91 C ATOM 313 CG2 ILE A 95 71.169 124.408 -72.175 1.00 37.38 C ATOM 314 CD1 ILE A 95 73.356 125.546 -73.383 1.00 42.10 C ATOM 315 N MET A 96 69.724 126.726 -69.849 1.00 43.60 N ATOM 316 CA MET A 96 68.451 126.597 -69.159 1.00 44.64 C ATOM 317 C MET A 96 67.489 125.727 -69.947 1.00 41.25 C ATOM 318 O MET A 96 67.362 125.864 -71.154 1.00 46.12 O ATOM 319 CB MET A 96 67.825 127.964 -68.907 1.00 53.45 C ATOM 320 CG MET A 96 66.629 127.917 -67.974 1.00 52.33 C ATOM 321 SD MET A 96 67.106 127.644 -66.257 1.00 51.33 S ATOM 322 CE MET A 96 68.080 129.112 -65.943 1.00 55.73 C ATOM 323 N LEU A 97 66.823 124.820 -69.250 1.00 44.99 N ATOM 324 CA LEU A 97 65.791 123.996 -69.856 1.00 44.29 C ATOM 325 C LEU A 97 64.438 124.365 -69.261 1.00 46.32 C ATOM 326 O LEU A 97 64.271 124.402 -68.044 1.00 46.18 O ATOM 327 CB LEU A 97 66.066 122.507 -69.637 1.00 41.31 C ATOM 328 CG LEU A 97 67.297 121.858 -70.276 1.00 39.66 C ATOM 329 CD1 LEU A 97 67.300 120.373 -69.960 1.00 39.99 C ATOM 330 CD2 LEU A 97 67.337 122.079 -71.777 1.00 37.69 C ATOM 331 N THR A 98 63.479 124.647 -70.132 1.00 48.34 N ATOM 332 CA THR A 98 62.132 124.974 -69.705 1.00 50.05 C ATOM 333 C THR A 98 61.181 123.906 -70.218 1.00 49.44 C ATOM 334 O THR A 98 61.169 123.601 -71.411 1.00 50.37 O ATOM 335 CB THR A 98 61.697 126.364 -70.221 1.00 51.94 C ATOM 336 OG1 THR A 98 62.662 127.347 -69.824 1.00 49.53 O ATOM 337 CG2 THR A 98 60.345 126.746 -69.655 1.00 48.05 C ATOM 338 N PHE A 99 60.416 123.317 -69.302 1.00 46.93 N ATOM 339 CA PHE A 99 59.364 122.373 -69.658 1.00 49.78 C ATOM 340 C PHE A 99 58.020 123.017 -69.340 1.00 52.38 C ATOM 341 O PHE A 99 57.891 123.732 -68.346 1.00 49.52 O ATOM 342 CB PHE A 99 59.478 121.083 -68.842 1.00 50.00 C ATOM 343 CG PHE A 99 60.692 120.255 -69.148 1.00 49.32 C ATOM 344 CD1 PHE A 99 61.930 120.590 -68.624 1.00 44.93 C ATOM 345 CD2 PHE A 99 60.586 119.108 -69.923 1.00 47.87 C ATOM 346 CE1 PHE A 99 63.045 119.807 -68.893 1.00 47.56 C ATOM 347 CE2 PHE A 99 61.699 118.324 -70.191 1.00 42.72 C ATOM 348 CZ PHE A 99 62.925 118.673 -69.678 1.00 41.42 C ATOM 349 N TRP A 100 57.023 122.767 -70.182 1.00 53.18 N ATOM 350 CA TRP A 100 55.654 123.185 -69.887 1.00 56.08 C ATOM 351 C TRP A 100 54.612 122.310 -70.594 1.00 56.36 C ATOM 352 O TRP A 100 54.865 121.783 -71.681 1.00 53.17 O ATOM 353 CB TRP A 100 55.442 124.697 -70.114 1.00 55.70 C ATOM 354 CG TRP A 100 55.511 125.207 -71.540 1.00 57.94 C ATOM 355 CD1 TRP A 100 54.466 125.643 -72.299 1.00 58.31 C ATOM 356 CD2 TRP A 100 56.689 125.381 -72.346 1.00 61.03 C ATOM 357 NE1 TRP A 100 54.910 126.060 -73.532 1.00 58.09 N ATOM 358 CE2 TRP A 100 56.270 125.912 -73.587 1.00 62.81 C ATOM 359 CE3 TRP A 100 58.052 125.136 -72.147 1.00 50.05 C ATOM 360 CZ2 TRP A 100 57.165 126.194 -74.621 1.00 60.48 C ATOM 361 CZ3 TRP A 100 58.934 125.416 -73.171 1.00 49.99 C ATOM 362 CH2 TRP A 100 58.487 125.938 -74.395 1.00 52.08 C ATOM 363 N PRO A 101 53.441 122.136 -69.954 1.00 59.86 N ATOM 364 CA PRO A 101 52.394 121.177 -70.333 1.00 57.08 C ATOM 365 C PRO A 101 51.561 121.609 -71.534 1.00 62.68 C ATOM 366 O PRO A 101 51.413 122.804 -71.800 1.00 63.87 O ATOM 367 CB PRO A 101 51.485 121.140 -69.097 1.00 52.99 C ATOM 368 CG PRO A 101 52.174 121.949 -68.046 1.00 60.26 C ATOM 369 CD PRO A 101 53.064 122.898 -68.755 1.00 56.67 C ATOM 370 N SER A 102 51.010 120.630 -72.243 1.00 58.82 N ATOM 371 CA SER A 102 50.081 120.905 -73.327 1.00 65.84 C ATOM 372 C SER A 102 48.644 120.844 -72.823 1.00 74.25 C ATOM 373 O SER A 102 48.155 119.775 -72.461 1.00 76.81 O ATOM 374 CB SER A 102 50.251 119.883 -74.446 1.00 62.24 C ATOM 375 OG SER A 102 49.689 118.638 -74.069 1.00 62.21 O ATOM 376 N VAL A 103 47.968 121.987 -72.797 1.00 77.11 N ATOM 377 CA VAL A 103 46.545 122.006 -72.485 1.00 77.90 C ATOM 378 C VAL A 103 45.736 121.880 -73.766 1.00 81.37 C ATOM 379 O VAL A 103 46.201 122.256 -74.843 1.00 85.89 O ATOM 380 CB VAL A 103 46.130 123.301 -71.771 1.00 77.03 C ATOM 381 CG1 VAL A 103 46.746 123.360 -70.385 1.00 80.86 C ATOM 382 CG2 VAL A 103 46.535 124.510 -72.602 1.00 77.65 C ATOM 383 N GLY A 104 44.524 121.353 -73.649 1.00 85.47 N ATOM 384 CA GLY A 104 43.645 121.242 -74.797 1.00 85.94 C ATOM 385 C GLY A 104 44.353 120.604 -75.972 1.00 85.30 C ATOM 386 O GLY A 104 45.148 119.689 -75.792 1.00 87.87 O ATOM 387 N GLU A 105 44.074 121.093 -77.176 1.00 94.12 N ATOM 388 CA GLU A 105 44.612 120.486 -78.392 1.00 95.90 C ATOM 389 C GLU A 105 45.716 121.349 -78.996 1.00 91.62 C ATOM 390 O GLU A 105 45.484 122.502 -79.362 1.00 93.61 O ATOM 391 CB GLU A 105 43.485 120.245 -79.414 1.00104.85 C ATOM 392 CG GLU A 105 42.218 119.608 -78.822 1.00103.19 C ATOM 393 CD GLU A 105 41.114 119.362 -79.853 1.00112.39 C ATOM 394 OE1 GLU A 105 41.368 119.537 -81.068 1.00110.40 O ATOM 395 OE2 GLU A 105 39.990 118.988 -79.442 1.00110.08 O ATOM 396 N ARG A 106 46.915 120.785 -79.100 1.00 91.32 N ATOM 397 CA ARG A 106 48.075 121.545 -79.561 1.00 90.25 C ATOM 398 C ARG A 106 48.039 122.970 -79.013 1.00 87.85 C ATOM 399 O ARG A 106 47.848 123.937 -79.757 1.00 82.62 O ATOM 400 CB ARG A 106 48.152 121.566 -81.088 1.00 92.78 C ATOM 401 CG ARG A 106 49.305 122.396 -81.648 1.00 90.71 C ATOM 402 CD ARG A 106 49.431 122.244 -83.164 1.00 99.83 C ATOM 403 NE ARG A 106 50.050 120.974 -83.551 1.00108.26 N ATOM 404 CZ ARG A 106 49.418 119.977 -84.170 1.00109.05 C ATOM 405 NH1 ARG A 106 48.136 120.093 -84.492 1.00107.63 N ATOM 406 NH2 ARG A 106 50.073 118.862 -84.478 1.00102.14 N ATOM 407 N LYS A 107 48.203 123.087 -77.700 1.00 80.62 N ATOM 408 CA LYS A 107 48.341 124.385 -77.060 1.00 73.86 C ATOM 409 C LYS A 107 49.016 124.160 -75.710 1.00 73.62 C ATOM 410 O LYS A 107 48.780 123.144 -75.056 1.00 68.43 O ATOM 411 CB LYS A 107 46.984 125.058 -76.918 1.00 75.61 C ATOM 412 CG LYS A 107 47.038 126.565 -76.854 1.00 78.78 C ATOM 413 CD LYS A 107 46.732 127.048 -75.448 1.00 87.63 C ATOM 414 CE LYS A 107 45.291 126.708 -75.060 1.00 87.55 C ATOM 415 NZ LYS A 107 44.977 127.076 -73.644 1.00 91.33 N ATOM 416 N TYR A 108 49.874 125.086 -75.298 1.00 68.57 N ATOM 417 CA TYR A 108 50.757 124.806 -74.173 1.00 65.83 C ATOM 418 C TYR A 108 50.695 125.837 -73.054 1.00 68.78 C ATOM 419 O TYR A 108 50.907 127.032 -73.273 1.00 71.25 O ATOM 420 CB TYR A 108 52.192 124.628 -74.666 1.00 65.94 C ATOM 421 CG TYR A 108 52.349 123.500 -75.664 1.00 60.61 C ATOM 422 CD1 TYR A 108 52.034 123.683 -77.002 1.00 57.32 C ATOM 423 CD2 TYR A 108 52.803 122.248 -75.264 1.00 57.74 C ATOM 424 CE1 TYR A 108 52.168 122.657 -77.912 1.00 60.80 C ATOM 425 CE2 TYR A 108 52.942 121.214 -76.171 1.00 55.58 C ATOM 426 CZ TYR A 108 52.624 121.425 -77.493 1.00 56.27 C ATOM 427 OH TYR A 108 52.768 120.409 -78.407 1.00 51.07 O ATOM 428 N ASP A 109 50.424 125.353 -71.846 1.00 66.65 N ATOM 429 CA ASP A 109 50.206 126.221 -70.697 1.00 68.57 C ATOM 430 C ASP A 109 51.505 126.813 -70.135 1.00 64.59 C ATOM 431 O ASP A 109 52.093 126.279 -69.194 1.00 64.19 O ATOM 432 CB ASP A 109 49.433 125.466 -69.612 1.00 67.25 C ATOM 433 CG ASP A 109 48.818 126.395 -68.584 1.00 76.00 C ATOM 434 OD1 ASP A 109 49.307 127.539 -68.439 1.00 75.20 O ATOM 435 OD2 ASP A 109 47.842 125.985 -67.921 1.00 82.79 O ATOM 436 N TRP A 110 51.925 127.939 -70.704 1.00 65.19 N ATOM 437 CA TRP A 110 53.191 128.578 -70.346 1.00 65.69 C ATOM 438 C TRP A 110 53.339 128.907 -68.857 1.00 66.99 C ATOM 439 O TRP A 110 54.448 129.101 -68.361 1.00 68.35 O ATOM 440 CB TRP A 110 53.404 129.835 -71.194 1.00 62.40 C ATOM 441 CG TRP A 110 54.633 130.579 -70.824 1.00 68.16 C ATOM 442 CD1 TRP A 110 54.704 131.767 -70.158 1.00 68.56 C ATOM 443 CD2 TRP A 110 55.987 130.176 -71.072 1.00 70.28 C ATOM 444 NE1 TRP A 110 56.017 132.138 -69.991 1.00 68.25 N ATOM 445 CE2 TRP A 110 56.823 131.175 -70.540 1.00 66.56 C ATOM 446 CE3 TRP A 110 56.571 129.071 -71.699 1.00 65.68 C ATOM 447 CZ2 TRP A 110 58.209 131.102 -70.614 1.00 65.22 C ATOM 448 CZ3 TRP A 110 57.948 129.004 -71.768 1.00 60.28 C ATOM 449 CH2 TRP A 110 58.750 130.011 -71.231 1.00 58.12 C ATOM 450 N GLU A 111 52.225 128.958 -68.139 1.00 70.05 N ATOM 451 CA GLU A 111 52.264 129.374 -66.741 1.00 73.32 C ATOM 452 C GLU A 111 52.571 128.243 -65.755 1.00 70.75 C ATOM 453 O GLU A 111 52.909 128.505 -64.598 1.00 71.30 O ATOM 454 CB GLU A 111 50.976 130.111 -66.358 1.00 73.63 C ATOM 455 CG GLU A 111 51.031 131.618 -66.598 1.00 83.33 C ATOM 456 CD GLU A 111 52.098 132.314 -65.749 1.00 98.95 C ATOM 457 OE1 GLU A 111 52.095 132.132 -64.506 1.00105.60 O ATOM 458 OE2 GLU A 111 52.935 133.054 -66.321 1.00 89.87 O ATOM 459 N LYS A 112 52.465 126.996 -66.210 1.00 64.22 N ATOM 460 CA LYS A 112 52.759 125.852 -65.348 1.00 64.65 C ATOM 461 C LYS A 112 54.159 125.289 -65.607 1.00 59.53 C ATOM 462 O LYS A 112 54.408 124.097 -65.418 1.00 55.50 O ATOM 463 CB LYS A 112 51.715 124.749 -65.539 1.00 68.73 C ATOM 464 CG LYS A 112 50.288 125.261 -65.580 1.00 72.18 C ATOM 465 CD LYS A 112 49.318 124.311 -64.893 1.00 68.78 C ATOM 466 CE LYS A 112 47.911 124.882 -64.919 1.00 76.79 C ATOM 467 NZ LYS A 112 47.900 126.337 -64.569 1.00 78.57 N ATOM 468 N ARG A 113 55.071 126.158 -66.022 1.00 53.10 N ATOM 469 CA ARG A 113 56.388 125.736 -66.472 1.00 57.72 C ATOM 470 C ARG A 113 57.387 125.495 -65.337 1.00 59.64 C ATOM 471 O ARG A 113 57.354 126.167 -64.304 1.00 60.93 O ATOM 472 CB ARG A 113 56.958 126.763 -67.453 1.00 56.63 C ATOM 473 CG ARG A 113 57.274 128.104 -66.818 1.00 54.30 C ATOM 474 CD ARG A 113 57.658 129.120 -67.870 1.00 61.53 C ATOM 475 NE ARG A 113 58.029 130.406 -67.287 1.00 66.54 N ATOM 476 CZ ARG A 113 57.155 131.343 -66.918 1.00 73.13 C ATOM 477 NH1 ARG A 113 55.850 131.134 -67.059 1.00 74.79 N ATOM 478 NH2 ARG A 113 57.584 132.488 -66.399 1.00 66.80 N ATOM 479 N GLN A 114 58.278 124.529 -65.549 1.00 55.56 N ATOM 480 CA GLN A 114 59.358 124.248 -64.616 1.00 51.92 C ATOM 481 C GLN A 114 60.702 124.366 -65.312 1.00 51.93 C ATOM 482 O GLN A 114 60.839 124.050 -66.501 1.00 44.94 O ATOM 483 CB GLN A 114 59.224 122.845 -64.033 1.00 55.14 C ATOM 484 CG GLN A 114 57.887 122.557 -63.388 1.00 54.95 C ATOM 485 CD GLN A 114 57.608 123.436 -62.192 1.00 52.67 C ATOM 486 OE1 GLN A 114 58.527 123.941 -61.539 1.00 58.08 O ATOM 487 NE2 GLN A 114 56.330 123.621 -61.892 1.00 60.00 N ATOM 488 N LEU A 115 61.697 124.802 -64.549 1.00 52.14 N ATOM 489 CA LEU A 115 63.014 125.069 -65.096 1.00 47.00 C ATOM 490 C LEU A 115 64.072 124.101 -64.571 1.00 49.00 C ATOM 491 O LEU A 115 63.942 123.560 -63.474 1.00 43.35 O ATOM 492 CB LEU A 115 63.424 126.504 -64.781 1.00 50.27 C ATOM 493 CG LEU A 115 62.480 127.626 -65.214 1.00 49.85 C ATOM 494 CD1 LEU A 115 63.270 128.915 -65.325 1.00 54.94 C ATOM 495 CD2 LEU A 115 61.817 127.300 -66.535 1.00 52.37 C ATOM 496 N PHE A 116 65.113 123.890 -65.373 1.00 45.49 N ATOM 497 CA PHE A 116 66.272 123.113 -64.965 1.00 40.27 C ATOM 498 C PHE A 116 67.539 123.713 -65.577 1.00 44.66 C ATOM 499 O PHE A 116 67.690 123.744 -66.794 1.00 46.47 O ATOM 500 CB PHE A 116 66.116 121.651 -65.398 1.00 42.89 C ATOM 501 CG PHE A 116 66.950 120.686 -64.595 1.00 41.29 C ATOM 502 CD1 PHE A 116 66.394 119.979 -63.538 1.00 41.67 C ATOM 503 CD2 PHE A 116 68.292 120.486 -64.896 1.00 42.26 C ATOM 504 CE1 PHE A 116 67.156 119.093 -62.797 1.00 43.69 C ATOM 505 CE2 PHE A 116 69.057 119.603 -64.164 1.00 41.69 C ATOM 506 CZ PHE A 116 68.487 118.902 -63.111 1.00 44.43 C ATOM 507 N ALA A 117 68.446 124.186 -64.730 1.00 41.72 N ATOM 508 CA ALA A 117 69.703 124.773 -65.182 1.00 40.71 C ATOM 509 C ALA A 117 70.837 123.753 -65.322 1.00 43.80 C ATOM 510 O ALA A 117 71.321 123.203 -64.336 1.00 45.45 O ATOM 511 CB ALA A 117 70.128 125.891 -64.244 1.00 44.26 C ATOM 512 N LEU A 118 71.266 123.518 -66.554 1.00 44.63 N ATOM 513 CA LEU A 118 72.426 122.681 -66.821 1.00 37.43 C ATOM 514 C LEU A 118 73.730 123.444 -66.638 1.00 41.47 C ATOM 515 O LEU A 118 73.969 124.455 -67.304 1.00 43.69 O ATOM 516 CB LEU A 118 72.375 122.157 -68.253 1.00 39.02 C ATOM 517 CG LEU A 118 71.292 121.139 -68.572 1.00 35.23 C ATOM 518 CD1 LEU A 118 71.385 120.748 -70.024 1.00 34.71 C ATOM 519 CD2 LEU A 118 71.442 119.929 -67.672 1.00 42.89 C ATOM 520 N SER A 119 74.578 122.936 -65.749 1.00 42.07 N ATOM 521 CA SER A 119 75.919 123.469 -65.536 1.00 39.68 C ATOM 522 C SER A 119 76.855 122.996 -66.639 1.00 44.25 C ATOM 523 O SER A 119 76.491 122.142 -67.452 1.00 47.16 O ATOM 524 CB SER A 119 76.460 122.974 -64.203 1.00 44.93 C ATOM 525 OG SER A 119 76.681 121.575 -64.259 1.00 48.61 O ATOM 526 N ALA A 120 78.070 123.529 -66.660 1.00 39.79 N ATOM 527 CA ALA A 120 79.024 123.143 -67.690 1.00 42.02 C ATOM 528 C ALA A 120 79.243 121.638 -67.677 1.00 40.55 C ATOM 529 O ALA A 120 79.299 120.997 -68.721 1.00 43.73 O ATOM 530 CB ALA A 120 80.347 123.876 -67.512 1.00 41.31 C ATOM 531 N THR A 121 79.361 121.072 -66.488 1.00 37.38 N ATOM 532 CA THR A 121 79.700 119.667 -66.384 1.00 41.97 C ATOM 533 C THR A 121 78.538 118.775 -66.786 1.00 42.05 C ATOM 534 O THR A 121 78.734 117.724 -67.383 1.00 47.72 O ATOM 535 CB THR A 121 80.197 119.309 -64.985 1.00 41.58 C ATOM 536 OG1 THR A 121 81.341 120.115 -64.678 1.00 41.65 O ATOM 537 CG2 THR A 121 80.592 117.850 -64.938 1.00 43.85 C ATOM 538 N GLU A 122 77.327 119.203 -66.469 1.00 45.70 N ATOM 539 CA GLU A 122 76.145 118.458 -66.865 1.00 44.56 C ATOM 540 C GLU A 122 75.983 118.495 -68.379 1.00 42.88 C ATOM 541 O GLU A 122 75.544 117.529 -68.990 1.00 46.93 O ATOM 542 CB GLU A 122 74.914 119.000 -66.137 1.00 45.47 C ATOM 543 CG GLU A 122 74.886 118.544 -64.690 1.00 52.57 C ATOM 544 CD GLU A 122 73.978 119.366 -63.787 1.00 56.33 C ATOM 545 OE1 GLU A 122 73.722 120.551 -64.095 1.00 54.42 O ATOM 546 OE2 GLU A 122 73.540 118.817 -62.748 1.00 57.78 O ATOM 547 N VAL A 123 76.361 119.613 -68.981 1.00 46.23 N ATOM 548 CA VAL A 123 76.343 119.736 -70.431 1.00 46.78 C ATOM 549 C VAL A 123 77.327 118.750 -71.046 1.00 40.14 C ATOM 550 O VAL A 123 76.989 118.030 -71.983 1.00 43.57 O ATOM 551 CB VAL A 123 76.649 121.194 -70.883 1.00 47.30 C ATOM 552 CG1 VAL A 123 76.947 121.263 -72.369 1.00 39.17 C ATOM 553 CG2 VAL A 123 75.480 122.104 -70.542 1.00 46.94 C ATOM 554 N GLY A 124 78.533 118.699 -70.498 1.00 39.05 N ATOM 555 CA GLY A 124 79.560 117.808 -71.008 1.00 42.92 C ATOM 556 C GLY A 124 79.136 116.355 -70.917 1.00 45.18 C ATOM 557 O GLY A 124 79.516 115.523 -71.740 1.00 46.91 O ATOM 558 N SER A 125 78.340 116.063 -69.897 1.00 44.40 N ATOM 559 CA SER A 125 77.786 114.738 -69.661 1.00 44.43 C ATOM 560 C SER A 125 76.776 114.385 -70.742 1.00 47.65 C ATOM 561 O SER A 125 76.616 113.228 -71.116 1.00 51.10 O ATOM 562 CB SER A 125 77.092 114.728 -68.297 1.00 45.76 C ATOM 563 OG SER A 125 76.611 113.444 -67.967 1.00 56.82 O ATOM 564 N LEU A 126 76.089 115.402 -71.235 1.00 45.81 N ATOM 565 CA LEU A 126 75.042 115.208 -72.214 1.00 48.03 C ATOM 566 C LEU A 126 75.612 115.079 -73.629 1.00 52.35 C ATOM 567 O LEU A 126 75.186 114.213 -74.400 1.00 51.43 O ATOM 568 CB LEU A 126 74.038 116.358 -72.116 1.00 47.21 C ATOM 569 CG LEU A 126 72.712 116.274 -72.870 1.00 51.74 C ATOM 570 CD1 LEU A 126 71.756 117.285 -72.284 1.00 50.52 C ATOM 571 CD2 LEU A 126 72.907 116.532 -74.367 1.00 54.99 C ATOM 572 N ILE A 127 76.576 115.930 -73.972 1.00 50.42 N ATOM 573 CA ILE A 127 77.146 115.909 -75.318 1.00 49.25 C ATOM 574 C ILE A 127 78.056 114.715 -75.535 1.00 51.83 C ATOM 575 O ILE A 127 78.485 114.450 -76.657 1.00 55.48 O ATOM 576 CB ILE A 127 77.976 117.166 -75.623 1.00 49.06 C ATOM 577 CG1 ILE A 127 79.172 117.253 -74.677 1.00 47.09 C ATOM 578 CG2 ILE A 127 77.120 118.425 -75.560 1.00 46.26 C ATOM 579 CD1 ILE A 127 79.939 118.543 -74.811 1.00 46.23 C ATOM 580 N SER A 128 78.374 114.005 -74.461 1.00 48.16 N ATOM 581 CA SER A 128 79.252 112.858 -74.578 1.00 44.43 C ATOM 582 C SER A 128 78.461 111.562 -74.436 1.00 56.20 C ATOM 583 O SER A 128 79.039 110.479 -74.333 1.00 58.87 O ATOM 584 CB SER A 128 80.376 112.936 -73.543 1.00 50.11 C ATOM 585 OG SER A 128 79.867 112.920 -72.220 1.00 53.72 O ATOM 586 N MET A 129 77.134 111.682 -74.441 1.00 59.45 N ATOM 587 CA MET A 129 76.247 110.524 -74.357 1.00 55.95 C ATOM 588 C MET A 129 76.233 109.718 -75.642 1.00 60.44 C ATOM 589 O MET A 129 76.064 110.276 -76.733 1.00 58.51 O ATOM 590 CB MET A 129 74.807 110.958 -74.085 1.00 54.95 C ATOM 591 CG MET A 129 74.508 111.372 -72.666 1.00 58.42 C ATOM 592 SD MET A 129 72.736 111.605 -72.472 1.00 57.85 S ATOM 593 CE MET A 129 72.159 109.919 -72.478 1.00 57.98 C ATOM 594 N GLY A 130 76.373 108.402 -75.502 1.00 58.51 N ATOM 595 CA GLY A 130 76.200 107.494 -76.620 1.00 59.39 C ATOM 596 C GLY A 130 74.737 107.180 -76.889 1.00 61.59 C ATOM 597 O GLY A 130 73.850 107.548 -76.112 1.00 55.14 O ATOM 598 N THR A 131 74.494 106.491 -77.999 1.00 62.29 N ATOM 599 CA THR A 131 73.149 106.125 -78.416 1.00 59.45 C ATOM 600 C THR A 131 72.408 105.360 -77.324 1.00 63.62 C ATOM 601 O THR A 131 71.227 105.608 -77.068 1.00 58.48 O ATOM 602 CB THR A 131 73.187 105.262 -79.696 1.00 68.58 C ATOM 603 OG1 THR A 131 73.871 105.973 -80.737 1.00 66.90 O ATOM 604 CG2 THR A 131 71.770 104.916 -80.163 1.00 69.58 C ATOM 605 N ARG A 132 73.110 104.430 -76.684 1.00 62.76 N ATOM 606 CA ARG A 132 72.501 103.552 -75.692 1.00 60.36 C ATOM 607 C ARG A 132 72.682 104.063 -74.266 1.00 65.72 C ATOM 608 O ARG A 132 72.380 103.355 -73.302 1.00 66.29 O ATOM 609 CB ARG A 132 73.088 102.144 -75.805 1.00 66.08 C ATOM 610 CG ARG A 132 72.320 101.217 -76.731 1.00 72.27 C ATOM 611 CD ARG A 132 72.677 101.444 -78.184 1.00 79.90 C ATOM 612 NE ARG A 132 71.581 101.062 -79.077 1.00 92.26 N ATOM 613 CZ ARG A 132 71.693 100.938 -80.400 1.00 93.21 C ATOM 614 NH1 ARG A 132 72.860 101.159 -80.999 1.00 86.67 N ATOM 615 NH2 ARG A 132 70.635 100.590 -81.126 1.00 81.12 N ATOM 616 N ASP A 133 73.182 105.288 -74.131 1.00 62.04 N ATOM 617 CA ASP A 133 73.472 105.840 -72.811 1.00 62.35 C ATOM 618 C ASP A 133 72.270 106.555 -72.221 1.00 58.35 C ATOM 619 O ASP A 133 71.361 106.964 -72.943 1.00 53.07 O ATOM 620 CB ASP A 133 74.657 106.810 -72.870 1.00 58.08 C ATOM 621 CG ASP A 133 75.987 106.099 -72.951 1.00 62.97 C ATOM 622 OD1 ASP A 133 76.163 105.070 -72.258 1.00 68.06 O ATOM 623 OD2 ASP A 133 76.861 106.575 -73.707 1.00 64.28 O ATOM 624 N SER A 134 72.282 106.706 -70.901 1.00 58.40 N ATOM 625 CA SER A 134 71.282 107.504 -70.208 1.00 56.37 C ATOM 626 C SER A 134 71.899 108.197 -69.002 1.00 61.14 C ATOM 627 O SER A 134 72.738 107.619 -68.312 1.00 66.72 O ATOM 628 CB SER A 134 70.103 106.636 -69.778 1.00 55.72 C ATOM 629 OG SER A 134 70.541 105.536 -69.014 1.00 58.30 O ATOM 630 N SER A 135 71.487 109.440 -68.757 1.00 59.44 N ATOM 631 CA SER A 135 71.970 110.196 -67.602 1.00 55.65 C ATOM 632 C SER A 135 70.825 110.805 -66.789 1.00 52.15 C ATOM 633 O SER A 135 69.777 111.124 -67.333 1.00 54.81 O ATOM 634 CB SER A 135 72.964 111.279 -68.040 1.00 59.44 C ATOM 635 OG SER A 135 72.467 112.037 -69.130 1.00 56.35 O ATOM 636 N GLU A 136 71.032 110.956 -65.484 1.00 54.22 N ATOM 637 CA GLU A 136 70.035 111.573 -64.616 1.00 50.34 C ATOM 638 C GLU A 136 70.649 112.607 -63.666 1.00 52.04 C ATOM 639 O GLU A 136 71.561 112.297 -62.904 1.00 59.14 O ATOM 640 CB GLU A 136 69.258 110.514 -63.829 1.00 53.01 C ATOM 641 CG GLU A 136 68.016 111.079 -63.119 1.00 63.93 C ATOM 642 CD GLU A 136 66.947 110.027 -62.782 1.00 70.52 C ATOM 643 OE1 GLU A 136 67.214 108.805 -62.900 1.00 66.03 O ATOM 644 OE2 GLU A 136 65.829 110.438 -62.390 1.00 67.43 O ATOM 645 N PHE A 137 70.142 113.837 -63.722 1.00 49.49 N ATOM 646 CA PHE A 137 70.626 114.922 -62.869 1.00 51.16 C ATOM 647 C PHE A 137 69.605 115.279 -61.776 1.00 47.18 C ATOM 648 O PHE A 137 68.404 115.278 -62.020 1.00 45.35 O ATOM 649 CB PHE A 137 70.973 116.156 -63.711 1.00 47.93 C ATOM 650 CG PHE A 137 71.769 115.846 -64.953 1.00 48.52 C ATOM 651 CD1 PHE A 137 73.041 115.297 -64.869 1.00 56.75 C ATOM 652 CD2 PHE A 137 71.252 116.115 -66.206 1.00 51.46 C ATOM 653 CE1 PHE A 137 73.779 115.014 -66.020 1.00 54.05 C ATOM 654 CE2 PHE A 137 71.987 115.838 -67.363 1.00 53.10 C ATOM 655 CZ PHE A 137 73.247 115.289 -67.267 1.00 50.02 C ATOM 656 N PHE A 138 70.095 115.571 -60.573 1.00 49.89 N ATOM 657 CA PHE A 138 69.233 115.862 -59.423 1.00 52.16 C ATOM 658 C PHE A 138 69.570 117.216 -58.824 1.00 46.49 C ATOM 659 O PHE A 138 70.703 117.448 -58.425 1.00 55.55 O ATOM 660 CB PHE A 138 69.366 114.770 -58.352 1.00 51.33 C ATOM 661 CG PHE A 138 68.920 113.415 -58.815 1.00 49.51 C ATOM 662 CD1 PHE A 138 69.826 112.524 -59.374 1.00 51.67 C ATOM 663 CD2 PHE A 138 67.587 113.034 -58.711 1.00 55.30 C ATOM 664 CE1 PHE A 138 69.407 111.269 -59.815 1.00 54.94 C ATOM 665 CE2 PHE A 138 67.159 111.778 -59.147 1.00 51.83 C ATOM 666 CZ PHE A 138 68.068 110.896 -59.697 1.00 50.17 C ATOM 667 N HIS A 139 68.580 118.099 -58.752 1.00 45.88 N ATOM 668 CA HIS A 139 68.800 119.489 -58.345 1.00 48.45 C ATOM 669 C HIS A 139 67.868 119.958 -57.238 1.00 52.79 C ATOM 670 O HIS A 139 66.681 119.640 -57.227 1.00 54.65 O ATOM 671 CB HIS A 139 68.606 120.423 -59.539 1.00 49.99 C ATOM 672 CG HIS A 139 69.804 120.533 -60.427 1.00 54.79 C ATOM 673 ND1 HIS A 139 70.016 121.616 -61.257 1.00 52.78 N ATOM 674 CD2 HIS A 139 70.862 119.708 -60.611 1.00 47.66 C ATOM 675 CE1 HIS A 139 71.146 121.446 -61.918 1.00 50.85 C ATOM 676 NE2 HIS A 139 71.679 120.295 -61.543 1.00 48.18 N ATOM 677 N ASP A 140 68.416 120.745 -56.321 1.00 60.71 N ATOM 678 CA ASP A 140 67.622 121.444 -55.319 1.00 62.21 C ATOM 679 C ASP A 140 67.797 122.949 -55.514 1.00 64.43 C ATOM 680 O ASP A 140 68.841 123.500 -55.173 1.00 62.92 O ATOM 681 CB ASP A 140 68.056 121.027 -53.914 1.00 65.54 C ATOM 682 CG ASP A 140 67.352 121.814 -52.820 1.00 70.90 C ATOM 683 OD1 ASP A 140 66.515 122.688 -53.137 1.00 64.24 O ATOM 684 OD2 ASP A 140 67.645 121.551 -51.634 1.00 74.61 O ATOM 685 N PRO A 141 66.768 123.614 -56.069 1.00 67.71 N ATOM 686 CA PRO A 141 66.805 125.043 -56.415 1.00 70.85 C ATOM 687 C PRO A 141 67.259 125.909 -55.234 1.00 77.86 C ATOM 688 O PRO A 141 68.148 126.757 -55.392 1.00 78.00 O ATOM 689 CB PRO A 141 65.343 125.364 -56.764 1.00 68.06 C ATOM 690 CG PRO A 141 64.708 124.050 -57.063 1.00 65.83 C ATOM 691 CD PRO A 141 65.427 123.028 -56.246 1.00 59.13 C ATOM 692 N SER A 142 66.648 125.685 -54.070 1.00 75.01 N ATOM 693 CA SER A 142 66.937 126.448 -52.858 1.00 72.05 C ATOM 694 C SER A 142 67.964 125.713 -52.004 1.00 76.35 C ATOM 695 O SER A 142 67.686 125.332 -50.861 1.00 71.84 O ATOM 696 CB SER A 142 65.651 126.674 -52.056 1.00 77.44 C ATOM 697 OG SER A 142 64.513 126.747 -52.905 1.00 73.02 O ATOM 698 N MET A 143 69.147 125.511 -52.579 1.00 78.17 N ATOM 699 CA MET A 143 70.240 124.782 -51.930 1.00 77.21 C ATOM 700 C MET A 143 71.112 125.704 -51.073 1.00 83.76 C ATOM 701 O MET A 143 71.177 126.914 -51.324 1.00 85.11 O ATOM 702 CB MET A 143 71.118 124.113 -52.993 1.00 74.68 C ATOM 703 CG MET A 143 72.049 123.025 -52.461 1.00 80.13 C ATOM 704 SD MET A 143 73.409 122.652 -53.608 1.00 82.86 S ATOM 705 CE MET A 143 73.742 120.929 -53.228 1.00 71.67 C ATOM 706 N LEU A 144 71.796 125.132 -50.080 1.00 80.68 N ATOM 707 CA LEU A 144 72.648 125.918 -49.185 1.00 83.97 C ATOM 708 C LEU A 144 71.899 127.156 -48.722 1.00 88.38 C ATOM 709 O LEU A 144 72.500 128.197 -48.427 1.00 88.07 O ATOM 710 CB LEU A 144 73.946 126.325 -49.885 1.00 74.23 C ATOM 711 CG LEU A 144 74.838 125.140 -50.245 1.00 74.81 C ATOM 712 CD1 LEU A 144 76.195 125.623 -50.714 1.00 80.68 C ATOM 713 CD2 LEU A 144 74.973 124.209 -49.050 1.00 75.24 C ATOM 714 N SER A 145 70.578 127.016 -48.658 1.00 86.70 N ATOM 715 CA SER A 145 69.680 128.116 -48.356 1.00 85.91 C ATOM 716 C SER A 145 68.697 127.670 -47.278 1.00 88.55 C ATOM 717 O SER A 145 68.800 126.560 -46.747 1.00 83.58 O ATOM 718 CB SER A 145 68.940 128.542 -49.630 1.00 79.28 C ATOM 719 OG SER A 145 68.114 129.671 -49.418 1.00 76.29 O ATOM 720 N SER A 146 67.740 128.535 -46.965 1.00 94.95 N ATOM 721 CA SER A 146 66.763 128.264 -45.915 1.00 92.19 C ATOM 722 C SER A 146 65.733 127.219 -46.342 1.00 85.70 C ATOM 723 O SER A 146 65.290 126.406 -45.529 1.00 84.05 O ATOM 724 CB SER A 146 66.070 129.570 -45.498 1.00 92.57 C ATOM 725 OG SER A 146 65.968 130.474 -46.590 1.00 80.62 O ATOM 726 N ASN A 147 65.371 127.243 -47.623 1.00 83.32 N ATOM 727 CA ASN A 147 64.303 126.392 -48.152 1.00 86.14 C ATOM 728 C ASN A 147 64.797 125.083 -48.771 1.00 84.35 C ATOM 729 O ASN A 147 64.190 124.571 -49.717 1.00 81.97 O ATOM 730 CB ASN A 147 63.476 127.157 -49.194 1.00 86.76 C ATOM 731 CG ASN A 147 63.298 128.622 -48.843 1.00 91.61 C ATOM 732 OD1 ASN A 147 64.228 129.423 -48.976 1.00 88.63 O ATOM 733 ND2 ASN A 147 62.094 128.985 -48.406 1.00 95.02 N ATOM 734 N ALA A 148 65.891 124.548 -48.236 1.00 81.35 N ATOM 735 CA ALA A 148 66.495 123.332 -48.769 1.00 72.96 C ATOM 736 C ALA A 148 65.687 122.085 -48.402 1.00 75.69 C ATOM 737 O ALA A 148 65.009 122.055 -47.376 1.00 76.65 O ATOM 738 CB ALA A 148 67.932 123.201 -48.284 1.00 71.25 C ATOM 739 N GLY A 149 65.764 121.060 -49.251 1.00 73.74 N ATOM 740 CA GLY A 149 65.084 119.798 -49.007 1.00 73.25 C ATOM 741 C GLY A 149 63.611 119.857 -49.365 1.00 74.43 C ATOM 742 O GLY A 149 62.946 118.822 -49.521 1.00 68.16 O ATOM 743 N GLN A 150 63.107 121.081 -49.503 1.00 71.92 N ATOM 744 CA GLN A 150 61.699 121.323 -49.788 1.00 71.59 C ATOM 745 C GLN A 150 61.340 120.977 -51.239 1.00 64.03 C ATOM 746 O GLN A 150 60.452 120.163 -51.488 1.00 61.05 O ATOM 747 CB GLN A 150 61.343 122.779 -49.453 1.00 73.73 C ATOM 748 CG GLN A 150 61.630 123.163 -47.994 1.00 79.76 C ATOM 749 CD GLN A 150 61.509 124.663 -47.726 1.00 84.89 C ATOM 750 OE1 GLN A 150 61.132 125.438 -48.609 1.00 83.32 O ATOM 751 NE2 GLN A 150 61.838 125.075 -46.503 1.00 77.42 N ATOM 752 N VAL A 151 62.039 121.592 -52.189 1.00 62.72 N ATOM 753 CA VAL A 151 61.819 121.322 -53.607 1.00 61.04 C ATOM 754 C VAL A 151 62.920 120.417 -54.172 1.00 59.75 C ATOM 755 O VAL A 151 64.093 120.561 -53.825 1.00 55.66 O ATOM 756 CB VAL A 151 61.724 122.634 -54.416 1.00 60.34 C ATOM 757 CG1 VAL A 151 61.644 122.349 -55.905 1.00 59.12 C ATOM 758 CG2 VAL A 151 60.519 123.444 -53.962 1.00 56.61 C ATOM 759 N ARG A 152 62.536 119.476 -55.029 1.00 56.78 N ATOM 760 CA ARG A 152 63.486 118.502 -55.564 1.00 52.51 C ATOM 761 C ARG A 152 63.250 118.268 -57.046 1.00 50.15 C ATOM 762 O ARG A 152 62.199 117.772 -57.447 1.00 54.58 O ATOM 763 CB ARG A 152 63.373 117.181 -54.802 1.00 54.53 C ATOM 764 CG ARG A 152 64.522 116.221 -55.050 1.00 63.03 C ATOM 765 CD ARG A 152 64.422 114.972 -54.161 1.00 63.95 C ATOM 766 NE ARG A 152 63.295 114.105 -54.513 1.00 56.65 N ATOM 767 CZ ARG A 152 62.243 113.890 -53.726 1.00 56.84 C ATOM 768 NH1 ARG A 152 62.179 114.475 -52.537 1.00 56.02 N ATOM 769 NH2 ARG A 152 61.258 113.091 -54.124 1.00 47.41 N ATOM 770 N LYS A 153 64.221 118.639 -57.868 1.00 53.23 N ATOM 771 CA LYS A 153 64.086 118.449 -59.306 1.00 46.32 C ATOM 772 C LYS A 153 64.984 117.329 -59.783 1.00 46.03 C ATOM 773 O LYS A 153 66.106 117.178 -59.309 1.00 45.00 O ATOM 774 CB LYS A 153 64.429 119.727 -60.052 1.00 43.94 C ATOM 775 CG LYS A 153 63.503 120.874 -59.764 1.00 50.56 C ATOM 776 CD LYS A 153 63.906 122.080 -60.574 1.00 50.78 C ATOM 777 CE LYS A 153 63.090 123.293 -60.198 1.00 54.55 C ATOM 778 NZ LYS A 153 63.469 124.457 -61.039 1.00 55.47 N ATOM 779 N SER A 154 64.489 116.536 -60.721 1.00 43.96 N ATOM 780 CA SER A 154 65.324 115.513 -61.309 1.00 43.66 C ATOM 781 C SER A 154 65.113 115.426 -62.815 1.00 44.07 C ATOM 782 O SER A 154 64.009 115.179 -63.292 1.00 46.87 O ATOM 783 CB SER A 154 65.095 114.163 -60.629 1.00 45.07 C ATOM 784 OG SER A 154 64.330 113.299 -61.447 1.00 54.65 O ATOM 785 N LEU A 155 66.186 115.646 -63.563 1.00 45.47 N ATOM 786 CA LEU A 155 66.135 115.522 -65.013 1.00 50.24 C ATOM 787 C LEU A 155 66.702 114.176 -65.463 1.00 48.34 C ATOM 788 O LEU A 155 67.793 113.775 -65.057 1.00 40.51 O ATOM 789 CB LEU A 155 66.902 116.665 -65.685 1.00 42.26 C ATOM 790 CG LEU A 155 66.954 116.608 -67.210 1.00 41.38 C ATOM 791 CD1 LEU A 155 65.604 116.986 -67.784 1.00 46.82 C ATOM 792 CD2 LEU A 155 68.040 117.509 -67.750 1.00 42.18 C ATOM 793 N SER A 156 65.950 113.471 -66.299 1.00 50.36 N ATOM 794 CA SER A 156 66.419 112.192 -66.820 1.00 48.66 C ATOM 795 C SER A 156 66.477 112.203 -68.343 1.00 48.38 C ATOM 796 O SER A 156 65.604 112.767 -69.016 1.00 48.54 O ATOM 797 CB SER A 156 65.538 111.042 -66.337 1.00 49.82 C ATOM 798 OG SER A 156 64.441 110.833 -67.208 1.00 53.78 O ATOM 799 N ILE A 157 67.534 111.610 -68.878 1.00 44.26 N ATOM 800 CA ILE A 157 67.648 111.414 -70.309 1.00 51.73 C ATOM 801 C ILE A 157 67.857 109.924 -70.524 1.00 55.61 C ATOM 802 O ILE A 157 68.875 109.366 -70.106 1.00 53.23 O ATOM 803 CB ILE A 157 68.823 112.213 -70.903 1.00 55.06 C ATOM 804 CG1 ILE A 157 68.740 113.675 -70.461 1.00 53.47 C ATOM 805 CG2 ILE A 157 68.817 112.137 -72.426 1.00 51.89 C ATOM 806 CD1 ILE A 157 69.753 114.570 -71.129 1.00 55.07 C ATOM 807 N LYS A 158 66.879 109.276 -71.149 1.00 52.95 N ATOM 808 CA LYS A 158 66.962 107.844 -71.405 1.00 55.14 C ATOM 809 C LYS A 158 66.713 107.552 -72.877 1.00 54.62 C ATOM 810 O LYS A 158 65.877 108.195 -73.509 1.00 54.66 O ATOM 811 CB LYS A 158 65.941 107.076 -70.566 1.00 53.56 C ATOM 812 CG LYS A 158 65.963 107.365 -69.078 1.00 55.48 C ATOM 813 CD LYS A 158 64.790 106.659 -68.419 1.00 58.89 C ATOM 814 CE LYS A 158 63.580 106.689 -69.360 1.00 66.00 C ATOM 815 NZ LYS A 158 62.484 105.745 -68.995 1.00 72.83 N ATOM 816 N PRO A 159 67.434 106.566 -73.424 1.00 57.81 N ATOM 817 CA PRO A 159 67.197 106.095 -74.794 1.00 51.43 C ATOM 818 C PRO A 159 65.850 105.410 -74.841 1.00 54.30 C ATOM 819 O PRO A 159 65.492 104.757 -73.865 1.00 55.37 O ATOM 820 CB PRO A 159 68.279 105.030 -75.002 1.00 51.68 C ATOM 821 CG PRO A 159 69.185 105.108 -73.802 1.00 57.65 C ATOM 822 CD PRO A 159 68.421 105.747 -72.702 1.00 49.46 C ATOM 823 N ASN A 160 65.110 105.547 -75.935 1.00 56.21 N ATOM 824 CA ASN A 160 63.908 104.742 -76.093 1.00 64.28 C ATOM 825 C ASN A 160 64.243 103.362 -76.682 1.00 71.39 C ATOM 826 O ASN A 160 65.346 103.146 -77.193 1.00 61.98 O ATOM 827 CB ASN A 160 62.844 105.476 -76.911 1.00 64.61 C ATOM 828 CG ASN A 160 63.299 105.788 -78.311 1.00 69.78 C ATOM 829 OD1 ASN A 160 63.536 104.885 -79.119 1.00 70.20 O ATOM 830 ND2 ASN A 160 63.407 107.077 -78.620 1.00 69.99 N ATOM 831 N ALA A 161 63.296 102.430 -76.584 1.00 75.95 N ATOM 832 CA ALA A 161 63.508 101.046 -77.014 1.00 78.52 C ATOM 833 C ALA A 161 64.162 100.930 -78.398 1.00 82.35 C ATOM 834 O ALA A 161 65.126 100.178 -78.593 1.00 71.25 O ATOM 835 CB ALA A 161 62.187 100.288 -76.991 1.00 82.39 C ATOM 836 N ASP A 162 63.624 101.688 -79.349 1.00 87.99 N ATOM 837 CA ASP A 162 64.063 101.663 -80.745 1.00 84.90 C ATOM 838 C ASP A 162 65.491 102.207 -80.941 1.00 79.48 C ATOM 839 O ASP A 162 66.166 101.878 -81.920 1.00 72.86 O ATOM 840 CB ASP A 162 63.078 102.482 -81.588 1.00 80.08 C ATOM 841 CG ASP A 162 61.775 102.780 -80.843 1.00 84.26 C ATOM 842 OD1 ASP A 162 61.214 101.854 -80.205 1.00 82.84 O ATOM 843 OD2 ASP A 162 61.315 103.947 -80.891 1.00 82.54 O ATOM 844 N GLY A 163 65.946 103.037 -80.005 1.00 79.14 N ATOM 845 CA GLY A 163 67.223 103.713 -80.142 1.00 69.60 C ATOM 846 C GLY A 163 67.021 104.872 -81.088 1.00 69.41 C ATOM 847 O GLY A 163 67.975 105.490 -81.570 1.00 69.14 O ATOM 848 N SER A 164 65.749 105.159 -81.348 1.00 71.45 N ATOM 849 CA SER A 164 65.357 106.221 -82.263 1.00 74.84 C ATOM 850 C SER A 164 65.402 107.592 -81.586 1.00 65.66 C ATOM 851 O SER A 164 64.967 108.594 -82.159 1.00 68.19 O ATOM 852 CB SER A 164 63.960 105.947 -82.837 1.00 73.77 C ATOM 853 OG SER A 164 62.954 106.045 -81.843 1.00 74.46 O ATOM 854 N GLY A 165 65.934 107.632 -80.370 1.00 60.00 N ATOM 855 CA GLY A 165 66.092 108.884 -79.656 1.00 56.86 C ATOM 856 C GLY A 165 66.156 108.697 -78.156 1.00 53.84 C ATOM 857 O GLY A 165 66.698 107.708 -77.662 1.00 52.61 O ATOM 858 N TYR A 166 65.593 109.657 -77.433 1.00 48.61 N ATOM 859 CA TYR A 166 65.582 109.631 -75.979 1.00 49.46 C ATOM 860 C TYR A 166 64.258 110.177 -75.467 1.00 51.54 C ATOM 861 O TYR A 166 63.532 110.852 -76.198 1.00 49.21 O ATOM 862 CB TYR A 166 66.710 110.502 -75.411 1.00 47.28 C ATOM 863 CG TYR A 166 68.080 110.229 -75.975 1.00 48.32 C ATOM 864 CD1 TYR A 166 68.456 110.739 -77.213 1.00 46.38 C ATOM 865 CD2 TYR A 166 69.006 109.470 -75.266 1.00 49.39 C ATOM 866 CE1 TYR A 166 69.711 110.493 -77.734 1.00 50.03 C ATOM 867 CE2 TYR A 166 70.267 109.219 -75.776 1.00 48.56 C ATOM 868 CZ TYR A 166 70.616 109.734 -77.012 1.00 52.38 C ATOM 869 OH TYR A 166 71.868 109.494 -77.534 1.00 54.40 O ATOM 870 N PHE A 167 63.947 109.887 -74.207 1.00 50.07 N ATOM 871 CA PHE A 167 62.898 110.619 -73.506 1.00 51.19 C ATOM 872 C PHE A 167 63.559 111.583 -72.541 1.00 51.44 C ATOM 873 O PHE A 167 64.409 111.196 -71.737 1.00 52.24 O ATOM 874 CB PHE A 167 61.966 109.684 -72.741 1.00 46.54 C ATOM 875 CG PHE A 167 61.247 108.709 -73.615 1.00 56.68 C ATOM 876 CD1 PHE A 167 61.752 107.428 -73.813 1.00 59.75 C ATOM 877 CD2 PHE A 167 60.072 109.068 -74.252 1.00 52.92 C ATOM 878 CE1 PHE A 167 61.089 106.522 -74.625 1.00 57.61 C ATOM 879 CE2 PHE A 167 59.414 108.171 -75.064 1.00 53.98 C ATOM 880 CZ PHE A 167 59.924 106.895 -75.251 1.00 57.63 C ATOM 881 N ILE A 168 63.190 112.849 -72.636 1.00 47.61 N ATOM 882 CA ILE A 168 63.714 113.826 -71.705 1.00 49.07 C ATOM 883 C ILE A 168 62.599 114.267 -70.772 1.00 48.46 C ATOM 884 O ILE A 168 61.653 114.934 -71.189 1.00 50.95 O ATOM 885 CB ILE A 168 64.363 115.019 -72.431 1.00 46.34 C ATOM 886 CG1 ILE A 168 65.386 114.507 -73.447 1.00 45.63 C ATOM 887 CG2 ILE A 168 65.028 115.952 -71.431 1.00 48.67 C ATOM 888 CD1 ILE A 168 66.335 115.555 -73.950 1.00 42.07 C ATOM 889 N SER A 169 62.691 113.861 -69.512 1.00 46.38 N ATOM 890 CA SER A 169 61.653 114.210 -68.557 1.00 46.43 C ATOM 891 C SER A 169 62.166 114.997 -67.371 1.00 45.86 C ATOM 892 O SER A 169 63.287 114.800 -66.895 1.00 49.85 O ATOM 893 CB SER A 169 60.885 112.979 -68.088 1.00 44.39 C ATOM 894 OG SER A 169 61.748 111.875 -67.993 1.00 59.79 O ATOM 895 N LEU A 170 61.328 115.918 -66.918 1.00 48.09 N ATOM 896 CA LEU A 170 61.610 116.693 -65.731 1.00 45.55 C ATOM 897 C LEU A 170 60.623 116.299 -64.662 1.00 44.50 C ATOM 898 O LEU A 170 59.431 116.176 -64.914 1.00 44.97 O ATOM 899 CB LEU A 170 61.487 118.180 -66.016 1.00 42.49 C ATOM 900 CG LEU A 170 61.848 119.065 -64.827 1.00 45.06 C ATOM 901 CD1 LEU A 170 63.279 118.793 -64.373 1.00 45.87 C ATOM 902 CD2 LEU A 170 61.664 120.522 -65.188 1.00 46.01 C ATOM 903 N SER A 171 61.135 116.084 -63.463 1.00 53.46 N ATOM 904 CA SER A 171 60.287 115.785 -62.326 1.00 54.99 C ATOM 905 C SER A 171 60.499 116.852 -61.274 1.00 47.23 C ATOM 906 O SER A 171 61.628 117.268 -61.018 1.00 48.67 O ATOM 907 CB SER A 171 60.620 114.411 -61.754 1.00 52.28 C ATOM 908 OG SER A 171 59.790 114.134 -60.640 1.00 70.30 O ATOM 909 N VAL A 172 59.414 117.318 -60.677 1.00 45.71 N ATOM 910 CA VAL A 172 59.541 118.289 -59.606 1.00 52.97 C ATOM 911 C VAL A 172 58.670 117.879 -58.443 1.00 49.35 C ATOM 912 O VAL A 172 57.459 117.729 -58.584 1.00 50.19 O ATOM 913 CB VAL A 172 59.189 119.723 -60.063 1.00 57.36 C ATOM 914 CG1 VAL A 172 59.538 120.723 -58.967 1.00 49.01 C ATOM 915 CG2 VAL A 172 59.932 120.069 -61.357 1.00 48.96 C ATOM 916 N VAL A 173 59.300 117.672 -57.296 1.00 47.66 N ATOM 917 CA VAL A 173 58.564 117.330 -56.088 1.00 55.42 C ATOM 918 C VAL A 173 58.657 118.459 -55.062 1.00 53.97 C ATOM 919 O VAL A 173 59.726 118.720 -54.503 1.00 52.71 O ATOM 920 CB VAL A 173 59.045 115.989 -55.488 1.00 53.67 C ATOM 921 CG1 VAL A 173 58.350 115.714 -54.161 1.00 50.23 C ATOM 922 CG2 VAL A 173 58.785 114.858 -56.468 1.00 51.75 C ATOM 923 N ASN A 174 57.531 119.133 -54.835 1.00 51.83 N ATOM 924 CA ASN A 174 57.480 120.249 -53.893 1.00 61.13 C ATOM 925 C ASN A 174 56.775 119.909 -52.580 1.00 58.82 C ATOM 926 O ASN A 174 55.549 119.839 -52.524 1.00 62.35 O ATOM 927 CB ASN A 174 56.809 121.458 -54.537 1.00 60.72 C ATOM 928 CG ASN A 174 57.079 122.741 -53.784 1.00 63.11 C ATOM 929 OD1 ASN A 174 57.167 122.753 -52.554 1.00 63.76 O ATOM 930 ND2 ASN A 174 57.208 123.836 -54.521 1.00 61.40 N ATOM 931 N ASN A 175 57.558 119.711 -51.526 1.00 59.05 N ATOM 932 CA ASN A 175 57.015 119.354 -50.219 1.00 65.33 C ATOM 933 C ASN A 175 56.301 120.503 -49.502 1.00 67.51 C ATOM 934 O ASN A 175 55.567 120.271 -48.548 1.00 69.65 O ATOM 935 CB ASN A 175 58.105 118.760 -49.323 1.00 62.02 C ATOM 936 CG ASN A 175 58.518 117.363 -49.756 1.00 67.41 C ATOM 937 OD1 ASN A 175 57.669 116.523 -50.080 1.00 60.80 O ATOM 938 ND2 ASN A 175 59.827 117.103 -49.761 1.00 64.92 N ATOM 939 N ASN A 176 56.515 121.734 -49.958 1.00 66.70 N ATOM 940 CA ASN A 176 55.795 122.882 -49.416 1.00 67.23 C ATOM 941 C ASN A 176 54.383 122.966 -49.970 1.00 65.97 C ATOM 942 O ASN A 176 53.414 123.106 -49.227 1.00 68.31 O ATOM 943 CB ASN A 176 56.525 124.185 -49.744 1.00 73.18 C ATOM 944 CG ASN A 176 57.933 124.219 -49.190 1.00 81.39 C ATOM 945 OD1 ASN A 176 58.354 123.307 -48.474 1.00 80.16 O ATOM 946 ND2 ASN A 176 58.672 125.275 -49.518 1.00 81.35 N ATOM 947 N LEU A 177 54.279 122.894 -51.288 1.00 62.74 N ATOM 948 CA LEU A 177 53.000 123.049 -51.952 1.00 60.83 C ATOM 949 C LEU A 177 52.313 121.707 -52.097 1.00 65.80 C ATOM 950 O LEU A 177 51.170 121.631 -52.553 1.00 66.54 O ATOM 951 CB LEU A 177 53.206 123.689 -53.319 1.00 63.01 C ATOM 952 CG LEU A 177 54.084 124.933 -53.213 1.00 68.59 C ATOM 953 CD1 LEU A 177 54.259 125.592 -54.569 1.00 62.03 C ATOM 954 CD2 LEU A 177 53.492 125.905 -52.195 1.00 62.53 C ATOM 955 N LYS A 178 53.015 120.646 -51.711 1.00 65.07 N ATOM 956 CA LYS A 178 52.439 119.311 -51.766 1.00 63.07 C ATOM 957 C LYS A 178 52.064 118.926 -53.205 1.00 65.27 C ATOM 958 O LYS A 178 50.986 118.387 -53.451 1.00 63.06 O ATOM 959 CB LYS A 178 51.201 119.250 -50.866 1.00 61.52 C ATOM 960 CG LYS A 178 51.445 118.802 -49.426 1.00 61.28 C ATOM 961 CD LYS A 178 52.673 119.431 -48.777 1.00 64.88 C ATOM 962 CE LYS A 178 52.842 118.899 -47.347 1.00 71.91 C ATOM 963 NZ LYS A 178 54.238 118.974 -46.805 1.00 68.55 N ATOM 964 N THR A 179 52.947 119.209 -54.158 1.00 60.59 N ATOM 965 CA THR A 179 52.685 118.817 -55.542 1.00 63.80 C ATOM 966 C THR A 179 53.751 117.890 -56.120 1.00 62.01 C ATOM 967 O THR A 179 54.884 117.834 -55.636 1.00 63.75 O ATOM 968 CB THR A 179 52.496 120.033 -56.476 1.00 66.96 C ATOM 969 OG1 THR A 179 53.539 120.988 -56.248 1.00 71.61 O ATOM 970 CG2 THR A 179 51.153 120.689 -56.224 1.00 69.83 C ATOM 971 N ASN A 180 53.367 117.156 -57.155 1.00 53.07 N ATOM 972 CA ASN A 180 54.275 116.244 -57.819 1.00 52.40 C ATOM 973 C ASN A 180 54.082 116.324 -59.322 1.00 55.85 C ATOM 974 O ASN A 180 53.154 115.728 -59.871 1.00 51.72 O ATOM 975 CB ASN A 180 54.055 114.815 -57.329 1.00 57.06 C ATOM 976 CG ASN A 180 54.932 113.808 -58.050 1.00 57.98 C ATOM 977 OD1 ASN A 180 55.377 114.047 -59.175 1.00 62.68 O ATOM 978 ND2 ASN A 180 55.185 112.671 -57.405 1.00 49.45 N ATOM 979 N ASP A 181 54.974 117.062 -59.977 1.00 52.74 N ATOM 980 CA ASP A 181 54.874 117.314 -61.406 1.00 53.57 C ATOM 981 C ASP A 181 55.877 116.495 -62.216 1.00 55.15 C ATOM 982 O ASP A 181 56.956 116.156 -61.727 1.00 57.38 O ATOM 983 CB ASP A 181 55.055 118.806 -61.679 1.00 59.23 C ATOM 984 CG ASP A 181 53.806 119.606 -61.364 1.00 72.41 C ATOM 985 OD1 ASP A 181 52.728 119.269 -61.922 1.00 76.39 O ATOM 986 OD2 ASP A 181 53.901 120.565 -60.561 1.00 75.17 O ATOM 987 N ARG A 182 55.505 116.156 -63.447 1.00 53.17 N ATOM 988 CA ARG A 182 56.395 115.418 -64.341 1.00 54.82 C ATOM 989 C ARG A 182 56.061 115.654 -65.815 1.00 55.94 C ATOM 990 O ARG A 182 55.007 115.221 -66.306 1.00 49.56 O ATOM 991 CB ARG A 182 56.393 113.915 -64.025 1.00 51.38 C ATOM 992 CG ARG A 182 56.829 113.062 -65.202 1.00 53.56 C ATOM 993 CD ARG A 182 57.259 111.661 -64.809 1.00 61.41 C ATOM 994 NE ARG A 182 58.666 111.604 -64.416 1.00 74.69 N ATOM 995 CZ ARG A 182 59.088 111.253 -63.202 1.00 81.70 C ATOM 996 NH1 ARG A 182 58.207 110.914 -62.267 1.00 81.62 N ATOM 997 NH2 ARG A 182 60.387 111.229 -62.922 1.00 71.45 N ATOM 998 N PHE A 183 56.961 116.355 -66.505 1.00 53.57 N ATOM 999 CA PHE A 183 56.835 116.580 -67.938 1.00 52.82 C ATOM 1000 C PHE A 183 57.860 115.739 -68.683 1.00 51.34 C ATOM 1001 O PHE A 183 59.046 115.803 -68.386 1.00 50.49 O ATOM 1002 CB PHE A 183 57.060 118.052 -68.272 1.00 53.51 C ATOM 1003 CG PHE A 183 56.475 118.990 -67.269 1.00 54.08 C ATOM 1004 CD1 PHE A 183 55.179 119.448 -67.401 1.00 57.28 C ATOM 1005 CD2 PHE A 183 57.223 119.415 -66.189 1.00 58.61 C ATOM 1006 CE1 PHE A 183 54.637 120.311 -66.471 1.00 53.57 C ATOM 1007 CE2 PHE A 183 56.686 120.277 -65.261 1.00 60.98 C ATOM 1008 CZ PHE A 183 55.391 120.726 -65.404 1.00 55.90 C ATOM 1009 N THR A 184 57.399 114.965 -69.662 1.00 55.32 N ATOM 1010 CA THR A 184 58.291 114.174 -70.501 1.00 54.73 C ATOM 1011 C THR A 184 58.160 114.577 -71.961 1.00 54.06 C ATOM 1012 O THR A 184 57.051 114.759 -72.468 1.00 61.02 O ATOM 1013 CB THR A 184 57.985 112.669 -70.399 1.00 56.13 C ATOM 1014 OG1 THR A 184 58.044 112.254 -69.027 1.00 59.82 O ATOM 1015 CG2 THR A 184 58.989 111.871 -71.225 1.00 51.70 C ATOM 1016 N VAL A 185 59.297 114.704 -72.635 1.00 48.54 N ATOM 1017 CA VAL A 185 59.321 115.013 -74.056 1.00 46.40 C ATOM 1018 C VAL A 185 60.213 114.007 -74.800 1.00 49.18 C ATOM 1019 O VAL A 185 61.382 113.837 -74.452 1.00 48.86 O ATOM 1020 CB VAL A 185 59.841 116.453 -74.292 1.00 51.06 C ATOM 1021 CG1 VAL A 185 59.714 116.838 -75.760 1.00 53.62 C ATOM 1022 CG2 VAL A 185 59.099 117.448 -73.415 1.00 48.86 C ATOM 1023 N PRO A 186 59.659 113.321 -75.817 1.00 47.13 N ATOM 1024 CA PRO A 186 60.463 112.451 -76.682 1.00 48.76 C ATOM 1025 C PRO A 186 61.335 113.303 -77.594 1.00 50.06 C ATOM 1026 O PRO A 186 60.893 114.356 -78.045 1.00 52.12 O ATOM 1027 CB PRO A 186 59.418 111.727 -77.536 1.00 46.92 C ATOM 1028 CG PRO A 186 58.111 112.024 -76.916 1.00 51.27 C ATOM 1029 CD PRO A 186 58.248 113.326 -76.216 1.00 49.72 C ATOM 1030 N VAL A 187 62.552 112.853 -77.867 1.00 48.03 N ATOM 1031 CA VAL A 187 63.478 113.611 -78.695 1.00 47.83 C ATOM 1032 C VAL A 187 64.107 112.687 -79.716 1.00 44.44 C ATOM 1033 O VAL A 187 64.672 111.657 -79.368 1.00 51.20 O ATOM 1034 CB VAL A 187 64.578 114.260 -77.838 1.00 51.36 C ATOM 1035 CG1 VAL A 187 65.728 114.738 -78.709 1.00 46.37 C ATOM 1036 CG2 VAL A 187 63.993 115.401 -77.007 1.00 48.03 C ATOM 1037 N THR A 188 64.003 113.044 -80.983 1.00 41.65 N ATOM 1038 CA THR A 188 64.503 112.171 -82.025 1.00 43.85 C ATOM 1039 C THR A 188 66.027 112.265 -82.120 1.00 44.25 C ATOM 1040 O THR A 188 66.656 113.065 -81.432 1.00 41.26 O ATOM 1041 CB THR A 188 63.857 112.517 -83.357 1.00 38.74 C ATOM 1042 OG1 THR A 188 64.245 113.840 -83.728 1.00 45.28 O ATOM 1043 CG2 THR A 188 62.349 112.471 -83.219 1.00 36.75 C ATOM 1044 N THR A 189 66.629 111.435 -82.957 1.00 43.26 N ATOM 1045 CA THR A 189 68.070 111.504 -83.120 1.00 45.67 C ATOM 1046 C THR A 189 68.462 112.850 -83.709 1.00 44.99 C ATOM 1047 O THR A 189 69.381 113.498 -83.212 1.00 46.19 O ATOM 1048 CB THR A 189 68.618 110.377 -84.014 1.00 46.82 C ATOM 1049 OG1 THR A 189 68.178 109.112 -83.514 1.00 51.06 O ATOM 1050 CG2 THR A 189 70.141 110.402 -84.025 1.00 39.36 C ATOM 1051 N ALA A 190 67.770 113.266 -84.767 1.00 38.32 N ATOM 1052 CA ALA A 190 68.037 114.562 -85.379 1.00 40.14 C ATOM 1053 C ALA A 190 67.927 115.724 -84.381 1.00 42.50 C ATOM 1054 O ALA A 190 68.775 116.609 -84.376 1.00 44.69 O ATOM 1055 CB ALA A 190 67.120 114.794 -86.571 1.00 43.52 C ATOM 1056 N GLU A 191 66.891 115.726 -83.543 1.00 39.89 N ATOM 1057 CA GLU A 191 66.702 116.800 -82.568 1.00 38.27 C ATOM 1058 C GLU A 191 67.796 116.793 -81.510 1.00 40.12 C ATOM 1059 O GLU A 191 68.344 117.833 -81.141 1.00 43.43 O ATOM 1060 CB GLU A 191 65.323 116.704 -81.912 1.00 42.20 C ATOM 1061 CG GLU A 191 64.180 117.040 -82.870 1.00 44.61 C ATOM 1062 CD GLU A 191 62.822 116.541 -82.400 1.00 52.99 C ATOM 1063 OE1 GLU A 191 62.775 115.625 -81.541 1.00 53.49 O ATOM 1064 OE2 GLU A 191 61.796 117.060 -82.905 1.00 51.50 O ATOM 1065 N PHE A 192 68.121 115.609 -81.025 1.00 40.45 N ATOM 1066 CA PHE A 192 69.189 115.480 -80.056 1.00 41.82 C ATOM 1067 C PHE A 192 70.547 115.811 -80.680 1.00 37.18 C ATOM 1068 O PHE A 192 71.456 116.275 -79.997 1.00 39.50 O ATOM 1069 CB PHE A 192 69.187 114.080 -79.447 1.00 45.86 C ATOM 1070 CG PHE A 192 69.951 113.985 -78.168 1.00 43.32 C ATOM 1071 CD1 PHE A 192 69.404 114.462 -76.989 1.00 43.72 C ATOM 1072 CD2 PHE A 192 71.218 113.431 -78.144 1.00 44.30 C ATOM 1073 CE1 PHE A 192 70.101 114.378 -75.804 1.00 44.17 C ATOM 1074 CE2 PHE A 192 71.928 113.347 -76.965 1.00 47.87 C ATOM 1075 CZ PHE A 192 71.368 113.820 -75.790 1.00 49.24 C ATOM 1076 N ALA A 193 70.686 115.571 -81.978 1.00 35.92 N ATOM 1077 CA ALA A 193 71.865 116.036 -82.689 1.00 34.53 C ATOM 1078 C ALA A 193 71.904 117.557 -82.662 1.00 38.81 C ATOM 1079 O ALA A 193 72.972 118.148 -82.540 1.00 40.17 O ATOM 1080 CB ALA A 193 71.874 115.534 -84.112 1.00 37.64 C ATOM 1081 N VAL A 194 70.743 118.200 -82.761 1.00 36.50 N ATOM 1082 CA VAL A 194 70.720 119.656 -82.719 1.00 37.81 C ATOM 1083 C VAL A 194 71.226 120.132 -81.366 1.00 36.75 C ATOM 1084 O VAL A 194 72.180 120.906 -81.304 1.00 39.97 O ATOM 1085 CB VAL A 194 69.336 120.277 -83.071 1.00 42.37 C ATOM 1086 CG1 VAL A 194 69.392 121.788 -82.942 1.00 37.05 C ATOM 1087 CG2 VAL A 194 68.917 119.899 -84.492 1.00 36.24 C ATOM 1088 N MET A 195 70.616 119.648 -80.288 1.00 38.83 N ATOM 1089 CA MET A 195 71.076 119.984 -78.939 1.00 37.97 C ATOM 1090 C MET A 195 72.559 119.676 -78.732 1.00 41.38 C ATOM 1091 O MET A 195 73.314 120.512 -78.228 1.00 41.18 O ATOM 1092 CB MET A 195 70.270 119.240 -77.883 1.00 35.16 C ATOM 1093 CG MET A 195 68.772 119.376 -78.032 1.00 45.53 C ATOM 1094 SD MET A 195 67.937 118.375 -76.785 1.00 56.68 S ATOM 1095 CE MET A 195 66.232 118.547 -77.277 1.00 47.47 C ATOM 1096 N ARG A 196 72.982 118.474 -79.103 1.00 39.77 N ATOM 1097 CA ARG A 196 74.384 118.113 -78.922 1.00 43.91 C ATOM 1098 C ARG A 196 75.269 119.203 -79.534 1.00 41.48 C ATOM 1099 O ARG A 196 76.079 119.812 -78.842 1.00 42.57 O ATOM 1100 CB ARG A 196 74.695 116.737 -79.525 1.00 46.68 C ATOM 1101 CG ARG A 196 76.010 116.115 -79.042 1.00 52.41 C ATOM 1102 CD ARG A 196 76.433 114.901 -79.891 1.00 55.66 C ATOM 1103 NE ARG A 196 75.478 113.785 -79.849 1.00 55.40 N ATOM 1104 CZ ARG A 196 75.430 112.867 -78.881 1.00 63.41 C ATOM 1105 NH1 ARG A 196 76.268 112.933 -77.851 1.00 61.51 N ATOM 1106 NH2 ARG A 196 74.536 111.883 -78.930 1.00 63.20 N ATOM 1107 N THR A 197 75.078 119.468 -80.823 1.00 41.06 N ATOM 1108 CA THR A 197 75.854 120.485 -81.537 1.00 38.62 C ATOM 1109 C THR A 197 75.695 121.880 -80.941 1.00 41.09 C ATOM 1110 O THR A 197 76.691 122.553 -80.669 1.00 42.42 O ATOM 1111 CB THR A 197 75.481 120.531 -83.038 1.00 39.28 C ATOM 1112 OG1 THR A 197 75.537 119.209 -83.587 1.00 45.53 O ATOM 1113 CG2 THR A 197 76.433 121.424 -83.801 1.00 36.75 C ATOM 1114 N ALA A 198 74.449 122.312 -80.740 1.00 37.82 N ATOM 1115 CA ALA A 198 74.175 123.635 -80.179 1.00 35.37 C ATOM 1116 C ALA A 198 74.756 123.803 -78.777 1.00 36.11 C ATOM 1117 O ALA A 198 75.247 124.872 -78.428 1.00 39.54 O ATOM 1118 CB ALA A 198 72.682 123.912 -80.172 1.00 36.72 C ATOM 1119 N PHE A 199 74.696 122.745 -77.976 1.00 37.23 N ATOM 1120 CA PHE A 199 75.278 122.757 -76.637 1.00 36.82 C ATOM 1121 C PHE A 199 76.804 122.816 -76.695 1.00 38.03 C ATOM 1122 O PHE A 199 77.426 123.537 -75.924 1.00 37.44 O ATOM 1123 CB PHE A 199 74.843 121.523 -75.845 1.00 43.01 C ATOM 1124 CG PHE A 199 73.398 121.544 -75.407 1.00 42.94 C ATOM 1125 CD1 PHE A 199 72.453 122.288 -76.098 1.00 38.64 C ATOM 1126 CD2 PHE A 199 72.984 120.789 -74.315 1.00 38.96 C ATOM 1127 CE1 PHE A 199 71.127 122.295 -75.700 1.00 42.01 C ATOM 1128 CE2 PHE A 199 71.662 120.789 -73.909 1.00 41.85 C ATOM 1129 CZ PHE A 199 70.727 121.541 -74.601 1.00 42.80 C ATOM 1130 N SER A 200 77.402 122.051 -77.604 1.00 38.11 N ATOM 1131 CA SER A 200 78.849 122.036 -77.749 1.00 36.74 C ATOM 1132 C SER A 200 79.333 123.425 -78.092 1.00 40.87 C ATOM 1133 O SER A 200 80.320 123.910 -77.537 1.00 40.73 O ATOM 1134 CB SER A 200 79.273 121.091 -78.865 1.00 39.93 C ATOM 1135 OG SER A 200 78.855 119.768 -78.607 1.00 48.92 O ATOM 1136 N PHE A 201 78.637 124.052 -79.031 1.00 37.24 N ATOM 1137 CA PHE A 201 78.976 125.396 -79.463 1.00 40.01 C ATOM 1138 C PHE A 201 78.868 126.361 -78.292 1.00 45.72 C ATOM 1139 O PHE A 201 79.731 127.221 -78.102 1.00 45.12 O ATOM 1140 CB PHE A 201 78.048 125.824 -80.601 1.00 41.99 C ATOM 1141 CG PHE A 201 78.122 127.287 -80.932 1.00 46.80 C ATOM 1142 CD1 PHE A 201 79.080 127.767 -81.809 1.00 48.73 C ATOM 1143 CD2 PHE A 201 77.220 128.183 -80.379 1.00 48.35 C ATOM 1144 CE1 PHE A 201 79.149 129.111 -82.117 1.00 46.39 C ATOM 1145 CE2 PHE A 201 77.283 129.527 -80.687 1.00 48.16 C ATOM 1146 CZ PHE A 201 78.246 129.990 -81.559 1.00 48.10 C ATOM 1147 N ALA A 202 77.812 126.188 -77.499 1.00 42.84 N ATOM 1148 CA ALA A 202 77.490 127.100 -76.409 1.00 40.92 C ATOM 1149 C ALA A 202 78.388 126.913 -75.196 1.00 43.39 C ATOM 1150 O ALA A 202 78.580 127.840 -74.405 1.00 43.56 O ATOM 1151 CB ALA A 202 76.031 126.933 -76.005 1.00 39.73 C ATOM 1152 N LEU A 203 78.929 125.710 -75.041 1.00 40.34 N ATOM 1153 CA LEU A 203 79.703 125.380 -73.851 1.00 37.23 C ATOM 1154 C LEU A 203 80.856 126.364 -73.539 1.00 47.07 C ATOM 1155 O LEU A 203 80.985 126.824 -72.400 1.00 49.16 O ATOM 1156 CB LEU A 203 80.212 123.951 -73.936 1.00 35.88 C ATOM 1157 CG LEU A 203 80.959 123.467 -72.701 1.00 41.44 C ATOM 1158 CD1 LEU A 203 80.039 123.491 -71.488 1.00 42.68 C ATOM 1159 CD2 LEU A 203 81.520 122.080 -72.939 1.00 39.97 C ATOM 1160 N PRO A 204 81.693 126.695 -74.542 1.00 43.43 N ATOM 1161 CA PRO A 204 82.779 127.651 -74.291 1.00 45.22 C ATOM 1162 C PRO A 204 82.241 129.009 -73.845 1.00 48.38 C ATOM 1163 O PRO A 204 82.829 129.661 -72.985 1.00 49.10 O ATOM 1164 CB PRO A 204 83.455 127.793 -75.660 1.00 46.62 C ATOM 1165 CG PRO A 204 83.011 126.613 -76.453 1.00 45.44 C ATOM 1166 CD PRO A 204 81.661 126.247 -75.947 1.00 44.08 C ATOM 1167 N HIS A 205 81.127 129.424 -74.429 1.00 44.21 N ATOM 1168 CA HIS A 205 80.527 130.704 -74.096 1.00 46.53 C ATOM 1169 C HIS A 205 80.018 130.775 -72.657 1.00 47.92 C ATOM 1170 O HIS A 205 80.321 131.728 -71.948 1.00 53.72 O ATOM 1171 CB HIS A 205 79.413 131.035 -75.082 1.00 49.47 C ATOM 1172 CG HIS A 205 79.903 131.285 -76.472 1.00 49.32 C ATOM 1173 ND1 HIS A 205 80.335 130.276 -77.299 1.00 54.81 N ATOM 1174 CD2 HIS A 205 80.033 132.433 -77.177 1.00 63.43 C ATOM 1175 CE1 HIS A 205 80.709 130.785 -78.459 1.00 53.65 C ATOM 1176 NE2 HIS A 205 80.535 132.094 -78.410 1.00 65.64 N ATOM 1177 N ILE A 206 79.250 129.780 -72.221 1.00 47.76 N ATOM 1178 CA ILE A 206 78.754 129.773 -70.842 1.00 44.46 C ATOM 1179 C ILE A 206 79.876 129.581 -69.825 1.00 44.43 C ATOM 1180 O ILE A 206 79.675 129.782 -68.630 1.00 45.50 O ATOM 1181 CB ILE A 206 77.661 128.691 -70.587 1.00 50.78 C ATOM 1182 CG1 ILE A 206 78.257 127.283 -70.589 1.00 43.45 C ATOM 1183 CG2 ILE A 206 76.515 128.808 -71.579 1.00 44.38 C ATOM 1184 CD1 ILE A 206 77.344 126.264 -69.976 1.00 39.00 C ATOM 1185 N MET A 207 81.052 129.176 -70.302 1.00 51.41 N ATOM 1186 CA MET A 207 82.215 128.994 -69.436 1.00 47.76 C ATOM 1187 C MET A 207 83.006 130.278 -69.374 1.00 51.27 C ATOM 1188 O MET A 207 83.901 130.418 -68.541 1.00 52.13 O ATOM 1189 CB MET A 207 83.127 127.891 -69.970 1.00 50.06 C ATOM 1190 CG MET A 207 82.704 126.466 -69.639 1.00 51.51 C ATOM 1191 SD MET A 207 83.667 125.254 -70.580 1.00 51.10 S ATOM 1192 CE MET A 207 85.303 125.516 -69.923 1.00 45.59 C ATOM 1193 N GLY A 208 82.680 131.201 -70.279 1.00 52.07 N ATOM 1194 CA GLY A 208 83.362 132.478 -70.391 1.00 47.22 C ATOM 1195 C GLY A 208 84.570 132.467 -71.315 1.00 49.51 C ATOM 1196 O GLY A 208 85.261 133.469 -71.440 1.00 48.69 O ATOM 1197 N TRP A 209 84.820 131.339 -71.974 1.00 52.95 N ATOM 1198 CA TRP A 209 86.029 131.161 -72.783 1.00 46.53 C ATOM 1199 C TRP A 209 85.977 131.892 -74.123 1.00 50.84 C ATOM 1200 O TRP A 209 86.991 132.026 -74.803 1.00 47.78 O ATOM 1201 CB TRP A 209 86.325 129.673 -72.983 1.00 42.55 C ATOM 1202 CG TRP A 209 86.989 129.044 -71.799 1.00 44.73 C ATOM 1203 CD1 TRP A 209 86.715 129.283 -70.484 1.00 45.41 C ATOM 1204 CD2 TRP A 209 88.033 128.062 -71.819 1.00 43.47 C ATOM 1205 NE1 TRP A 209 87.528 128.519 -69.684 1.00 43.64 N ATOM 1206 CE2 TRP A 209 88.347 127.761 -70.476 1.00 42.48 C ATOM 1207 CE3 TRP A 209 88.737 127.415 -72.838 1.00 36.42 C ATOM 1208 CZ2 TRP A 209 89.333 126.841 -70.127 1.00 40.79 C ATOM 1209 CZ3 TRP A 209 89.714 126.504 -72.491 1.00 45.88 C ATOM 1210 CH2 TRP A 209 90.003 126.224 -71.144 1.00 45.99 C ATOM 1211 N ASP A 210 84.793 132.370 -74.493 1.00 49.59 N ATOM 1212 CA ASP A 210 84.636 133.167 -75.706 1.00 54.89 C ATOM 1213 C ASP A 210 85.282 134.548 -75.558 1.00 62.34 C ATOM 1214 O ASP A 210 85.380 135.304 -76.524 1.00 67.18 O ATOM 1215 CB ASP A 210 83.154 133.307 -76.071 1.00 59.22 C ATOM 1216 CG ASP A 210 82.333 133.974 -74.971 1.00 64.00 C ATOM 1217 OD1 ASP A 210 82.733 133.909 -73.787 1.00 58.51 O ATOM 1218 OD2 ASP A 210 81.280 134.561 -75.294 1.00 65.11 O ATOM 1219 N ARG A 211 85.716 134.864 -74.340 1.00 60.95 N ATOM 1220 CA ARG A 211 86.391 136.124 -74.045 1.00 63.90 C ATOM 1221 C ARG A 211 87.872 136.059 -74.409 1.00 67.05 C ATOM 1222 O ARG A 211 88.491 137.074 -74.737 1.00 67.49 O ATOM 1223 CB ARG A 211 86.240 136.478 -72.565 1.00 62.72 C ATOM 1224 CG ARG A 211 84.900 137.076 -72.204 1.00 63.04 C ATOM 1225 CD ARG A 211 84.692 138.399 -72.903 1.00 74.56 C ATOM 1226 NE ARG A 211 83.502 139.075 -72.395 1.00 90.67 N ATOM 1227 CZ ARG A 211 83.518 140.001 -71.440 1.00 91.30 C ATOM 1228 NH1 ARG A 211 84.668 140.375 -70.890 1.00 85.38 N ATOM 1229 NH2 ARG A 211 82.383 140.558 -71.037 1.00 87.52 N ATOM 1230 N PHE A 212 88.441 134.861 -74.331 1.00 65.83 N ATOM 1231 CA PHE A 212 89.810 134.646 -74.772 1.00 63.11 C ATOM 1232 C PHE A 212 89.844 134.711 -76.294 1.00 70.36 C ATOM 1233 O PHE A 212 89.713 133.688 -76.971 1.00 72.75 O ATOM 1234 CB PHE A 212 90.323 133.284 -74.305 1.00 55.35 C ATOM 1235 CG PHE A 212 90.276 133.089 -72.815 1.00 58.63 C ATOM 1236 CD1 PHE A 212 89.366 132.209 -72.244 1.00 60.14 C ATOM 1237 CD2 PHE A 212 91.147 133.773 -71.984 1.00 57.59 C ATOM 1238 CE1 PHE A 212 89.322 132.022 -70.868 1.00 55.51 C ATOM 1239 CE2 PHE A 212 91.110 133.589 -70.608 1.00 60.49 C ATOM 1240 CZ PHE A 212 90.197 132.711 -70.052 1.00 60.12 C ATOM 1241 N THR A 213 89.994 135.917 -76.832 1.00 72.45 N ATOM 1242 CA THR A 213 89.984 136.113 -78.279 1.00 76.74 C ATOM 1243 C THR A 213 91.107 137.056 -78.707 1.00 80.26 C ATOM 1244 O THR A 213 91.324 138.094 -78.077 1.00 79.57 O ATOM 1245 CB THR A 213 88.636 136.693 -78.771 1.00 79.47 C ATOM 1246 OG1 THR A 213 87.549 136.169 -77.990 1.00 75.12 O ATOM 1247 CG2 THR A 213 88.413 136.361 -80.248 1.00 78.77 C ATOM 1248 N ASN A 214 91.813 136.689 -79.775 1.00 78.20 N ATOM 1249 CA ASN A 214 92.878 137.526 -80.322 1.00 78.79 C ATOM 1250 C ASN A 214 92.313 138.660 -81.189 1.00 89.02 C ATOM 1251 O ASN A 214 92.051 138.477 -82.383 1.00 86.71 O ATOM 1252 CB ASN A 214 93.873 136.681 -81.125 1.00 75.54 C ATOM 1253 CG ASN A 214 94.651 135.696 -80.254 1.00 76.01 C ATOM 1254 OD1 ASN A 214 94.842 135.917 -79.056 1.00 76.37 O ATOM 1255 ND2 ASN A 214 95.113 134.607 -80.862 1.00 69.31 N ATOM 1256 N ARG A 215 92.116 139.826 -80.577 1.00 89.44 N ATOM 1257 CA ARG A 215 91.533 140.973 -81.265 1.00 90.11 C ATOM 1258 C ARG A 215 90.069 140.720 -81.627 1.00 98.31 C ATOM 1259 O ARG A 215 89.597 139.577 -81.598 1.00 94.73 O ATOM 1260 CB ARG A 215 92.335 141.311 -82.524 1.00 93.78 C ATOM 1261 CG ARG A 215 92.022 142.678 -83.104 1.00 95.07 C ATOM 1262 CD ARG A 215 92.364 143.776 -82.104 1.00101.78 C ATOM 1263 NE ARG A 215 93.782 143.766 -81.742 1.00103.03 N ATOM 1264 CZ ARG A 215 94.265 143.290 -80.596 1.00103.48 C ATOM 1265 NH1 ARG A 215 93.445 142.781 -79.685 1.00102.63 N ATOM 1266 NH2 ARG A 215 95.570 143.324 -80.356 1.00102.79 N TER 1267 ARG A 215 ATOM 1268 P DA B 1 59.631 134.635 -61.364 0.70108.60 P ATOM 1269 OP1 DA B 1 59.178 134.568 -59.956 0.70105.01 O ATOM 1270 OP2 DA B 1 58.642 134.889 -62.439 0.70 98.34 O ATOM 1271 O5' DA B 1 60.453 133.304 -61.722 0.70102.52 O ATOM 1272 C5' DA B 1 60.479 132.210 -60.801 0.70 92.93 C ATOM 1273 C4' DA B 1 61.306 131.042 -61.319 0.70 89.23 C ATOM 1274 O4' DA B 1 62.191 131.482 -62.381 0.70 92.07 O ATOM 1275 C3' DA B 1 62.211 130.380 -60.287 0.70 87.59 C ATOM 1276 O3' DA B 1 62.375 129.011 -60.585 0.70 77.99 O ATOM 1277 C2' DA B 1 63.550 131.089 -60.450 0.70 84.43 C ATOM 1278 C1' DA B 1 63.510 131.629 -61.878 0.70 89.88 C ATOM 1279 N9 DA B 1 63.817 133.049 -61.856 0.70 94.92 N ATOM 1280 C8 DA B 1 63.157 133.963 -61.083 0.70 96.07 C ATOM 1281 N7 DA B 1 63.599 135.188 -61.214 0.70 98.17 N ATOM 1282 C5 DA B 1 64.627 135.069 -62.139 0.70 98.99 C ATOM 1283 C6 DA B 1 65.496 136.030 -62.696 0.70 98.20 C ATOM 1284 N6 DA B 1 65.448 137.330 -62.382 0.70 99.92 N ATOM 1285 N1 DA B 1 66.418 135.611 -63.589 0.70 97.42 N ATOM 1286 C2 DA B 1 66.456 134.305 -63.894 0.70 96.33 C ATOM 1287 N3 DA B 1 65.690 133.308 -63.435 0.70 95.49 N ATOM 1288 C4 DA B 1 64.782 133.756 -62.549 0.70 95.80 C ATOM 1289 P DA B 2 63.427 128.159 -59.724 0.70 82.66 P ATOM 1290 OP1 DA B 2 62.941 126.766 -59.747 0.70 77.21 O ATOM 1291 OP2 DA B 2 63.665 128.829 -58.422 0.70 84.72 O ATOM 1292 O5' DA B 2 64.775 128.311 -60.572 0.70 73.60 O ATOM 1293 C5' DA B 2 64.902 127.795 -61.885 0.70 66.41 C ATOM 1294 C4' DA B 2 66.377 127.702 -62.218 0.70 59.24 C ATOM 1295 O4' DA B 2 66.901 129.030 -62.423 0.70 63.89 O ATOM 1296 C3' DA B 2 67.220 127.064 -61.121 0.70 58.08 C ATOM 1297 O3' DA B 2 67.906 125.958 -61.659 0.70 52.37 O ATOM 1298 C2' DA B 2 68.187 128.151 -60.655 0.70 64.33 C ATOM 1299 C1' DA B 2 68.147 129.178 -61.780 0.70 66.23 C ATOM 1300 N9 DA B 2 68.228 130.575 -61.353 0.70 78.31 N ATOM 1301 C8 DA B 2 68.940 131.570 -61.964 0.70 81.94 C ATOM 1302 N7 DA B 2 68.834 132.741 -61.381 0.70 84.86 N ATOM 1303 C5 DA B 2 67.987 132.501 -60.312 0.70 83.85 C ATOM 1304 C6 DA B 2 67.477 133.340 -59.302 0.70 85.97 C ATOM 1305 N6 DA B 2 67.765 134.641 -59.211 0.70 89.04 N ATOM 1306 N1 DA B 2 66.657 132.789 -58.385 0.70 89.24 N ATOM 1307 C2 DA B 2 66.369 131.484 -58.477 0.70 85.72 C ATOM 1308 N3 DA B 2 66.786 130.597 -59.380 0.70 82.25 N ATOM 1309 C4 DA B 2 67.601 131.173 -60.279 0.70 80.88 C ATOM 1310 P DA B 3 67.629 124.498 -61.078 0.70 46.87 P ATOM 1311 OP1 DA B 3 68.150 123.476 -62.010 0.70 45.08 O ATOM 1312 OP2 DA B 3 66.216 124.409 -60.648 0.70 52.46 O ATOM 1313 O5' DA B 3 68.552 124.491 -59.787 0.70 56.00 O ATOM 1314 C5' DA B 3 69.852 125.006 -59.846 0.70 57.33 C ATOM 1315 C4' DA B 3 70.348 125.035 -58.417 0.70 61.06 C ATOM 1316 O4' DA B 3 70.301 123.673 -57.929 0.70 57.19 O ATOM 1317 C3' DA B 3 71.780 125.491 -58.203 0.70 58.67 C ATOM 1318 O3' DA B 3 71.781 126.877 -57.959 0.70 54.94 O ATOM 1319 C2' DA B 3 72.145 124.744 -56.929 0.70 59.75 C ATOM 1320 C1' DA B 3 71.393 123.430 -57.066 0.70 57.88 C ATOM 1321 N9 DA B 3 72.241 122.343 -57.575 0.70 61.17 N ATOM 1322 C8 DA B 3 73.169 122.393 -58.587 0.70 60.27 C ATOM 1323 N7 DA B 3 73.783 121.257 -58.808 0.70 54.30 N ATOM 1324 C5 DA B 3 73.231 120.394 -57.882 0.70 51.70 C ATOM 1325 C6 DA B 3 73.456 119.032 -57.598 0.70 57.98 C ATOM 1326 N6 DA B 3 74.338 118.266 -58.249 0.70 58.36 N ATOM 1327 N1 DA B 3 72.731 118.482 -56.601 0.70 62.25 N ATOM 1328 C2 DA B 3 71.847 119.240 -55.942 0.70 58.63 C ATOM 1329 N3 DA B 3 71.550 120.526 -56.120 0.70 52.82 N ATOM 1330 C4 DA B 3 72.282 121.045 -57.114 0.70 54.04 C ATOM 1331 P DA B 4 73.177 127.656 -57.907 0.70 60.08 P ATOM 1332 OP1 DA B 4 72.840 129.085 -57.735 0.70 70.83 O ATOM 1333 OP2 DA B 4 74.011 127.218 -59.047 0.70 63.44 O ATOM 1334 O5' DA B 4 73.855 127.108 -56.576 0.70 55.06 O ATOM 1335 C5' DA B 4 73.363 127.529 -55.321 0.70 63.22 C ATOM 1336 C4' DA B 4 74.472 127.500 -54.291 0.70 66.53 C ATOM 1337 O4' DA B 4 74.866 126.128 -54.051 0.70 70.58 O ATOM 1338 C3' DA B 4 75.749 128.227 -54.695 0.70 67.80 C ATOM 1339 O3' DA B 4 76.321 128.819 -53.542 0.70 69.42 O ATOM 1340 C2' DA B 4 76.625 127.097 -55.217 0.70 66.10 C ATOM 1341 C1' DA B 4 76.266 126.028 -54.195 0.70 69.91 C ATOM 1342 N9 DA B 4 76.572 124.659 -54.590 0.70 70.58 N ATOM 1343 C8 DA B 4 76.924 123.636 -53.756 0.70 73.18 C ATOM 1344 N7 DA B 4 77.139 122.499 -54.375 0.70 73.90 N ATOM 1345 C5 DA B 4 76.912 122.802 -55.708 0.70 69.82 C ATOM 1346 C6 DA B 4 76.977 122.021 -56.875 0.70 67.67 C ATOM 1347 N6 DA B 4 77.304 120.725 -56.873 0.70 66.97 N ATOM 1348 N1 DA B 4 76.693 122.628 -58.045 0.70 70.94 N ATOM 1349 C2 DA B 4 76.364 123.925 -58.042 0.70 68.44 C ATOM 1350 N3 DA B 4 76.271 124.758 -57.010 0.70 66.68 N ATOM 1351 C4 DA B 4 76.560 124.129 -55.861 0.70 68.82 C ATOM 1352 P DA B 5 77.703 129.604 -53.657 0.70 75.08 P ATOM 1353 OP1 DA B 5 77.687 130.718 -52.684 0.70 73.44 O ATOM 1354 OP2 DA B 5 77.994 129.851 -55.088 0.70 76.18 O ATOM 1355 O5' DA B 5 78.722 128.499 -53.143 0.70 71.17 O ATOM 1356 C5' DA B 5 78.592 128.052 -51.815 0.70 73.77 C ATOM 1357 C4' DA B 5 79.937 127.515 -51.394 0.70 79.65 C ATOM 1358 O4' DA B 5 80.016 126.146 -51.842 0.70 78.58 O ATOM 1359 C3' DA B 5 81.108 128.259 -52.030 0.70 75.27 C ATOM 1360 O3' DA B 5 82.100 128.540 -51.059 0.70 71.40 O ATOM 1361 C2' DA B 5 81.626 127.303 -53.101 0.70 73.58 C ATOM 1362 C1' DA B 5 81.223 125.947 -52.539 0.70 73.46 C ATOM 1363 N9 DA B 5 80.945 124.940 -53.554 0.70 71.71 N ATOM 1364 C8 DA B 5 81.044 123.586 -53.391 0.70 68.66 C ATOM 1365 N7 DA B 5 80.732 122.900 -54.463 0.70 67.28 N ATOM 1366 C5 DA B 5 80.404 123.875 -55.390 0.70 67.79 C ATOM 1367 C6 DA B 5 79.988 123.787 -56.729 0.70 69.23 C ATOM 1368 N6 DA B 5 79.837 122.619 -57.360 0.70 65.19 N ATOM 1369 N1 DA B 5 79.741 124.943 -57.384 0.70 72.04 N ATOM 1370 C2 DA B 5 79.904 126.102 -56.732 0.70 69.94 C ATOM 1371 N3 DA B 5 80.290 126.310 -55.473 0.70 65.74 N ATOM 1372 C4 DA B 5 80.527 125.143 -54.851 0.70 66.86 C ATOM 1373 P DA B 6 83.278 129.554 -51.432 0.70 80.79 P ATOM 1374 OP1 DA B 6 83.428 130.514 -50.314 0.70 81.07 O ATOM 1375 OP2 DA B 6 83.052 130.046 -52.810 0.70 72.41 O ATOM 1376 O5' DA B 6 84.550 128.588 -51.455 0.70 71.27 O ATOM 1377 C5' DA B 6 84.787 127.730 -50.349 0.70 68.67 C ATOM 1378 C4' DA B 6 86.001 126.866 -50.625 0.70 69.56 C ATOM 1379 O4' DA B 6 85.637 125.766 -51.493 0.70 68.11 O ATOM 1380 C3' DA B 6 87.138 127.601 -51.322 0.70 62.97 C ATOM 1381 O3' DA B 6 88.362 127.158 -50.801 0.70 66.06 O ATOM 1382 C2' DA B 6 87.002 127.189 -52.779 0.70 63.51 C ATOM 1383 C1' DA B 6 86.450 125.780 -52.643 0.70 62.46 C ATOM 1384 N9 DA B 6 85.609 125.434 -53.771 0.70 59.56 N ATOM 1385 C8 DA B 6 85.212 126.258 -54.783 0.70 57.62 C ATOM 1386 N7 DA B 6 84.451 125.662 -55.666 0.70 58.71 N ATOM 1387 C5 DA B 6 84.344 124.368 -55.188 0.70 56.55 C ATOM 1388 C6 DA B 6 83.670 123.235 -55.669 0.70 59.97 C ATOM 1389 N6 DA B 6 82.947 123.243 -56.793 0.70 63.16 N ATOM 1390 N1 DA B 6 83.769 122.097 -54.949 0.70 58.10 N ATOM 1391 C2 DA B 6 84.498 122.099 -53.827 0.70 57.96 C ATOM 1392 N3 DA B 6 85.175 123.102 -53.277 0.70 58.91 N ATOM 1393 C4 DA B 6 85.051 124.212 -54.017 0.70 57.54 C ATOM 1394 P DA B 7 89.374 128.269 -50.281 0.70 66.79 P ATOM 1395 OP1 DA B 7 90.660 127.602 -49.980 0.70 64.98 O ATOM 1396 OP2 DA B 7 88.677 129.081 -49.257 0.70 65.05 O ATOM 1397 O5' DA B 7 89.552 129.172 -51.577 0.70 57.39 O ATOM 1398 C5' DA B 7 90.285 128.657 -52.665 0.70 61.29 C ATOM 1399 C4' DA B 7 91.603 129.388 -52.773 0.70 64.41 C ATOM 1400 O4' DA B 7 92.138 129.161 -54.095 0.70 60.34 O ATOM 1401 C3' DA B 7 91.501 130.900 -52.632 0.70 66.42 C ATOM 1402 O3' DA B 7 92.715 131.411 -52.115 0.70 69.03 O ATOM 1403 C2' DA B 7 91.289 131.360 -54.068 0.70 61.82 C ATOM 1404 C1' DA B 7 92.165 130.371 -54.824 0.70 63.66 C ATOM 1405 N9 DA B 7 91.678 130.053 -56.159 0.70 65.29 N ATOM 1406 C8 DA B 7 92.413 130.015 -57.310 0.70 60.46 C ATOM 1407 N7 DA B 7 91.716 129.691 -58.370 0.70 59.45 N ATOM 1408 C5 DA B 7 90.434 129.506 -57.880 0.70 60.79 C ATOM 1409 C6 DA B 7 89.224 129.152 -58.506 0.70 59.54 C ATOM 1410 N6 DA B 7 89.122 128.913 -59.817 0.70 56.72 N ATOM 1411 N1 DA B 7 88.126 129.053 -57.728 0.70 59.93 N ATOM 1412 C2 DA B 7 88.236 129.294 -56.418 0.70 57.48 C ATOM 1413 N3 DA B 7 89.312 129.635 -55.719 0.70 56.42 N ATOM 1414 C4 DA B 7 90.389 129.723 -56.516 0.70 61.69 C ATOM 1415 P DA B 8 92.783 132.949 -51.700 0.70 73.77 P ATOM 1416 OP1 DA B 8 93.886 133.084 -50.724 0.70 75.99 O ATOM 1417 OP2 DA B 8 91.410 133.389 -51.365 0.70 74.77 O ATOM 1418 O5' DA B 8 93.194 133.693 -53.050 0.70 70.10 O ATOM 1419 C5' DA B 8 94.529 133.604 -53.505 0.70 72.62 C ATOM 1420 C4' DA B 8 94.633 134.175 -54.904 0.70 74.06 C ATOM 1421 O4' DA B 8 93.830 133.375 -55.797 0.70 70.78 O ATOM 1422 C3' DA B 8 94.108 135.594 -55.038 0.70 78.79 C ATOM 1423 O3' DA B 8 95.216 136.462 -54.891 0.70 83.75 O ATOM 1424 C2' DA B 8 93.558 135.646 -56.460 0.70 77.37 C ATOM 1425 C1' DA B 8 93.246 134.189 -56.789 0.70 72.53 C ATOM 1426 N9 DA B 8 91.829 133.883 -56.757 0.70 71.26 N ATOM 1427 C8 DA B 8 90.990 134.016 -55.688 0.70 74.71 C ATOM 1428 N7 DA B 8 89.755 133.659 -55.942 0.70 68.73 N ATOM 1429 C5 DA B 8 89.797 133.266 -57.269 0.70 67.61 C ATOM 1430 C6 DA B 8 88.806 132.776 -58.137 0.70 70.35 C ATOM 1431 N6 DA B 8 87.533 132.600 -57.757 0.70 68.18 N ATOM 1432 N1 DA B 8 89.177 132.475 -59.402 0.70 66.87 N ATOM 1433 C2 DA B 8 90.454 132.655 -59.761 0.70 67.77 C ATOM 1434 N3 DA B 8 91.474 133.108 -59.031 0.70 70.01 N ATOM 1435 C4 DA B 8 91.070 133.396 -57.787 0.70 66.97 C ATOM 1436 P DA B 9 95.025 138.025 -54.623 0.70 92.19 P ATOM 1437 OP1 DA B 9 95.947 138.373 -53.517 0.70 86.91 O ATOM 1438 OP2 DA B 9 93.575 138.317 -54.510 0.70 82.51 O ATOM 1439 O5' DA B 9 95.562 138.684 -55.983 0.70 88.69 O ATOM 1440 C5' DA B 9 96.944 138.576 -56.321 0.70 87.36 C ATOM 1441 C4' DA B 9 97.155 138.501 -57.825 0.70 92.03 C ATOM 1442 O4' DA B 9 96.270 137.497 -58.394 0.70 93.52 O ATOM 1443 C3' DA B 9 96.889 139.796 -58.597 0.70 95.75 C ATOM 1444 O3' DA B 9 97.977 140.068 -59.483 0.70 91.34 O ATOM 1445 C2' DA B 9 95.606 139.494 -59.370 0.70 92.37 C ATOM 1446 C1' DA B 9 95.774 137.999 -59.620 0.70 93.59 C ATOM 1447 N9 DA B 9 94.549 137.292 -60.006 0.70 94.14 N ATOM 1448 C8 DA B 9 94.437 136.317 -60.960 0.70 88.58 C ATOM 1449 N7 DA B 9 93.219 135.852 -61.108 0.70 82.50 N ATOM 1450 C5 DA B 9 92.471 136.572 -60.195 0.70 82.33 C ATOM 1451 C6 DA B 9 91.103 136.549 -59.863 0.70 81.64 C ATOM 1452 N6 DA B 9 90.215 135.739 -60.449 0.70 86.10 N ATOM 1453 N1 DA B 9 90.678 137.394 -58.901 0.70 85.62 N ATOM 1454 C2 DA B 9 91.570 138.204 -58.316 0.70 87.54 C ATOM 1455 N3 DA B 9 92.879 138.317 -58.542 0.70 88.47 N ATOM 1456 C4 DA B 9 93.273 137.465 -59.503 0.70 90.01 C TER 1457 DA B 9 HETATM 1458 O HOH A 1 54.290 113.093 -79.275 1.00 52.80 O HETATM 1459 O HOH A 2 56.815 111.289 -80.798 1.00 58.78 O HETATM 1460 O HOH A 3 64.759 127.802 -72.016 1.00 54.78 O HETATM 1461 O HOH A 4 77.979 126.292 -65.186 1.00 44.64 O HETATM 1462 O HOH A 7 73.734 124.355 -62.185 1.00 48.35 O HETATM 1463 O HOH A 8 80.185 122.865 -64.155 1.00 33.19 O HETATM 1464 O HOH A 9 73.113 115.339 -60.076 1.00 56.18 O HETATM 1465 O HOH A 10 77.344 105.866 -79.552 1.00 53.20 O HETATM 1466 O HOH A 11 68.835 106.157 -78.442 1.00 57.79 O HETATM 1467 O HOH A 12 61.990 114.962 -58.259 1.00 47.70 O HETATM 1468 O HOH A 13 71.936 122.202 -49.295 1.00 66.71 O HETATM 1469 O HOH A 14 78.965 122.549 -82.179 1.00 37.45 O HETATM 1470 O HOH A 15 81.852 127.184 -80.164 1.00 43.32 O HETATM 1471 O HOH A 16 65.458 111.728 -86.358 1.00 43.66 O HETATM 1472 O HOH A 17 63.243 114.741 -86.359 1.00 40.21 O HETATM 1473 O HOH A 18 59.267 105.443 -70.505 1.00 62.63 O HETATM 1474 O HOH A 19 71.461 112.410 -81.850 1.00 49.97 O HETATM 1475 O HOH A 20 64.690 115.433 -89.027 1.00 42.05 O HETATM 1476 O HOH A 21 73.686 110.547 -64.902 1.00 55.84 O HETATM 1477 O HOH A 22 77.069 120.125 -62.026 1.00 60.22 O HETATM 1478 O HOH A 23 75.633 126.726 -62.550 1.00 55.08 O HETATM 1479 O HOH A 24 73.444 111.970 -60.864 1.00 58.50 O HETATM 1480 O HOH A 25 60.033 120.026 -46.494 1.00 67.65 O HETATM 1481 O HOH A 26 67.803 116.708 -55.397 1.00 57.86 O HETATM 1482 O HOH A 27 72.575 109.789 -80.424 1.00 64.93 O HETATM 1483 O HOH A 28 75.946 104.022 -76.480 1.00 58.45 O HETATM 1484 O HOH A 29 59.263 112.298 -81.177 1.00 51.30 O HETATM 1485 O HOH A 30 61.669 109.118 -78.040 1.00 58.71 O HETATM 1486 O HOH A 31 55.408 114.750 -74.906 1.00 60.10 O HETATM 1487 O HOH A 32 63.417 112.311 -64.758 1.00 49.55 O HETATM 1488 O HOH A 33 74.966 105.436 -69.435 1.00 58.31 O HETATM 1489 O HOH A 34 94.785 144.348 -67.195 1.00 86.66 O HETATM 1490 O HOH A 36 64.669 109.184 -85.024 1.00 57.79 O HETATM 1491 O HOH A 37 43.433 120.735 -70.839 1.00 75.21 O HETATM 1492 O HOH A 38 60.045 115.441 -84.833 1.00 58.10 O HETATM 1493 O HOH A 39 81.331 118.695 -79.017 1.00 60.25 O HETATM 1494 O HOH A 40 79.004 124.350 -84.309 1.00 46.55 O HETATM 1495 O HOH A 41 58.908 120.951 -82.545 1.00 55.51 O HETATM 1496 O HOH A 42 50.710 123.730 -48.911 1.00 59.59 O HETATM 1497 O HOH A 43 62.016 130.395 -69.589 1.00 65.17 O HETATM 1498 O HOH A 44 54.249 114.388 -69.875 1.00 58.87 O HETATM 1499 O HOH A 45 78.260 110.849 -79.947 1.00 61.36 O HETATM 1500 O HOH A 46 74.273 113.243 -82.193 1.00 52.88 O HETATM 1501 O HOH A 225 94.377 142.339 -63.628 1.00 83.64 O HETATM 1502 O HOH A 226 59.389 116.776 -46.275 1.00 71.01 O HETATM 1503 O HOH A 227 57.490 126.484 -52.334 1.00 63.76 O HETATM 1504 O HOH A 228 72.224 131.628 -59.964 1.00 81.86 O HETATM 1505 O HOH A 229 72.214 135.609 -71.693 1.00 61.74 O HETATM 1506 O HOH A 230 86.559 139.373 -79.285 1.00 80.74 O HETATM 1507 O HOH A 231 60.940 125.401 -58.189 1.00 61.77 O HETATM 1508 O HOH A 232 61.862 127.623 -81.162 1.00 59.34 O HETATM 1509 O HOH B 10 61.134 126.540 -62.077 1.00 63.96 O HETATM 1510 O HOH B 35 71.176 130.425 -63.340 1.00 70.67 O HETATM 1511 O HOH B 47 92.370 129.362 -61.112 1.00 53.67 O HETATM 1512 O HOH B 49 75.183 122.599 -60.866 1.00 66.04 O HETATM 1513 O HOH B 56 86.357 131.181 -55.510 1.00 62.52 O MASTER 657 0 0 4 10 0 0 6 1511 2 0 15 END
Display Options:
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3n1k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3n1i
RCSB PDB
PDBbind
178aa, >3N1I_1|Chain... *
3n1j
RCSB PDB
PDBbind
178aa, >3N1J_1|Chain... at 100%
3n1l
RCSB PDB
PDBbind
178aa, >3N1L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3n1k
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Whirly protein StWhy2
Ligand Name
DNA 32-mer cERE32
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=5.73nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Plant Cell Vol. 22: pp. 1849-1867
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
D9J034
Entrez Gene ID
NCBI Entrez Gene ID:
102577630
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓