Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 14-AUG-13 4M9E TITLE STRUCTURE OF KLF4 ZINC FINGER DNA BINDING DOMAIN IN COMPLEX WITH TITLE 2 METHYLATED DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: KRUEPPEL-LIKE FACTOR 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 396-483; COMPND 5 SYNONYM: EPITHELIAL ZINC FINGER PROTEIN EZF, GUT-ENRICHED KRUEPPEL- COMPND 6 LIKE FACTOR; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: DNA (5'-D(*GP*AP*GP*GP*(5CM)P*GP*TP*GP*GP*C)-3'); COMPND 10 CHAIN: B; COMPND 11 ENGINEERED: YES; COMPND 12 MOL_ID: 3; COMPND 13 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*(5CM)P*GP*CP*CP*TP*C)-3'); COMPND 14 CHAIN: C; COMPND 15 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: KLF4, EZF, GKLF, ZIE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PXC1248; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 OTHER_DETAILS: DNA SYNTHESIS; SOURCE 12 MOL_ID: 3; SOURCE 13 SYNTHETIC: YES; SOURCE 14 OTHER_DETAILS: DNA SYNTHESIS KEYWDS DNA METHYLATION, TRANSCRIPTION FACTOR, CELLULAR REPROGRAMMING, C2H2 KEYWDS 2 ZINC FINGER, DNA BINDING, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR Y.LIU,Y.O.OLANREWAJU,R.M.BLUMENTHAL,X.ZHANG,X.CHENG REVDAT 3 21-MAY-14 4M9E 1 JRNL REVDAT 2 19-MAR-14 4M9E 1 JRNL REVDAT 1 12-FEB-14 4M9E 0 JRNL AUTH Y.LIU,Y.O.OLANREWAJU,Y.ZHENG,H.HASHIMOTO,R.M.BLUMENTHAL, JRNL AUTH 2 X.ZHANG,X.CHENG JRNL TITL STRUCTURAL BASIS FOR KLF4 RECOGNITION OF METHYLATED DNA. JRNL REF NUCLEIC ACIDS RES. V. 42 4859 2014 JRNL REFN ISSN 0305-1048 JRNL PMID 24520114 JRNL DOI 10.1093/NAR/GKU134 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.1_1168) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.44 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.6 REMARK 3 NUMBER OF REFLECTIONS : 13843 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.189 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.980 REMARK 3 FREE R VALUE TEST SET COUNT : 689 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 34.4456 - 3.1645 0.99 2872 131 0.1648 0.1873 REMARK 3 2 3.1645 - 2.5120 1.00 2697 143 0.2094 0.3047 REMARK 3 3 2.5120 - 2.1946 1.00 2651 146 0.1940 0.2297 REMARK 3 4 2.1946 - 1.9939 1.00 2638 133 0.1978 0.2477 REMARK 3 5 1.9939 - 1.8510 0.89 2296 136 0.2345 0.2768 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 : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.130 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 26.42 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 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 1230 REMARK 3 ANGLE : 1.313 1753 REMARK 3 CHIRALITY : 0.063 166 REMARK 3 PLANARITY : 0.005 147 REMARK 3 DIHEDRAL : 26.221 512 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: all REMARK 3 ORIGIN FOR THE GROUP (A): 53.3137 72.2660 141.9154 REMARK 3 T TENSOR REMARK 3 T11: 0.1230 T22: 0.1368 REMARK 3 T33: 0.0927 T12: -0.0184 REMARK 3 T13: 0.0158 T23: 0.0155 REMARK 3 L TENSOR REMARK 3 L11: 1.5052 L22: 1.6636 REMARK 3 L33: 1.1247 L12: -0.8003 REMARK 3 L13: -0.2145 L23: 0.7061 REMARK 3 S TENSOR REMARK 3 S11: 0.0111 S12: 0.0839 S13: 0.0685 REMARK 3 S21: 0.0487 S22: 0.0233 S23: -0.0075 REMARK 3 S31: 0.0555 S32: -0.1108 S33: -0.0315 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 4M9E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-SEP-13. REMARK 100 THE RCSB ID CODE IS RCSB081631. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-APR-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-BM REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL - LIQUED NITROGEN REMARK 200 COOLED REMARK 200 OPTICS : ROSENBAUM-ROCK DOUBLE-CRYSTAL REMARK 200 MONOCHROMATOR: LIQUID NITROGEN REMARK 200 COOLED; SAGITALLY FOCUSING 2ND REMARK 200 CRYSTAL, ROSENBAUM-ROCK VERTICAL REMARK 200 FOCUSING MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13918 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 70.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 200 DATA REDUNDANCY : 12.000 REMARK 200 R MERGE (I) : 0.07600 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 27.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.92 REMARK 200 COMPLETENESS FOR SHELL (%) : 80.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.90 REMARK 200 R MERGE FOR SHELL (I) : 0.50100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: PDB ENTRY 2WBU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.35 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS-HCL, 0.25M NACL AND 20% REMARK 280 POLYETHYLENE GLYCOL 8000, PH 8.5, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 65.50750 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 24.35250 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 24.35250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 98.26125 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 24.35250 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 24.35250 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 32.75375 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 24.35250 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 24.35250 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 98.26125 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 24.35250 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 24.35250 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 32.75375 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 65.50750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4880 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7710 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 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 ARG A 396 REMARK 465 THR A 397 REMARK 465 ALA A 398 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 453 CE NZ REMARK 470 ARG A 458 NE CZ NH1 NH2 REMARK 470 LYS A 480 CE NZ REMARK 470 ARG A 481 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 638 O HOH B 126 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG B 1 O4' - C1' - N9 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT B 7 N1 - C1' - C2' ANGL. DEV. = 8.8 DEGREES REMARK 500 DC B 10 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 DA C 4 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES REMARK 500 DA C 4 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG C 6 C1' - O4' - C4' ANGL. DEV. = -6.2 DEGREES REMARK 500 DG C 6 C3' - C2' - C1' ANGL. DEV. = -5.2 DEGREES REMARK 500 DG C 6 O4' - C1' - N9 ANGL. DEV. = 7.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 405 -136.32 46.15 REMARK 500 CYS A 407 -75.09 -116.25 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 653 DISTANCE = 5.13 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 503 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 482 NE2 REMARK 620 2 HIS A 478 NE2 99.6 REMARK 620 3 CYS A 465 SG 115.8 102.0 REMARK 620 4 CYS A 462 SG 108.2 107.2 121.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 504 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 450 NE2 REMARK 620 2 HIS A 454 NE2 97.3 REMARK 620 3 CYS A 432 SG 108.9 111.8 REMARK 620 4 CYS A 437 SG 108.3 109.6 118.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 505 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 420 NE2 REMARK 620 2 HIS A 424 NE2 104.9 REMARK 620 3 CYS A 402 SG 109.2 108.0 REMARK 620 4 CYS A 407 SG 108.4 112.4 113.5 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 504 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 505 DBREF 4M9E A 396 483 UNP Q60793 KLF4_MOUSE 396 483 DBREF 4M9E B 1 10 PDB 4M9E 4M9E 1 10 DBREF 4M9E C 1 10 PDB 4M9E 4M9E 1 10 SEQRES 1 A 88 ARG THR ALA THR HIS THR CYS ASP TYR ALA GLY CYS GLY SEQRES 2 A 88 LYS THR TYR THR LYS SER SER HIS LEU LYS ALA HIS LEU SEQRES 3 A 88 ARG THR HIS THR GLY GLU LYS PRO TYR HIS CYS ASP TRP SEQRES 4 A 88 ASP GLY CYS GLY TRP LYS PHE ALA ARG SER ASP GLU LEU SEQRES 5 A 88 THR ARG HIS TYR ARG LYS HIS THR GLY HIS ARG PRO PHE SEQRES 6 A 88 GLN CYS GLN LYS CYS ASP ARG ALA PHE SER ARG SER ASP SEQRES 7 A 88 HIS LEU ALA LEU HIS MET LYS ARG HIS PHE SEQRES 1 B 10 DG DA DG DG 5CM DG DT DG DG DC SEQRES 1 C 10 DG DC DC DA 5CM DG DC DC DT DC MODRES 4M9E 5CM B 5 DC MODRES 4M9E 5CM C 5 DC HET 5CM B 5 20 HET 5CM C 5 31 HET GOL A 501 6 HET ACT A 502 4 HET ZN A 503 1 HET ZN A 504 1 HET ZN A 505 1 HETNAM 5CM 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE HETNAM GOL GLYCEROL HETNAM ACT ACETATE ION HETNAM ZN ZINC ION HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 5CM 2(C10 H16 N3 O7 P) FORMUL 4 GOL C3 H8 O3 FORMUL 5 ACT C2 H3 O2 1- FORMUL 6 ZN 3(ZN 2+) FORMUL 9 HOH *134(H2 O) HELIX 1 1 LYS A 413 GLY A 426 1 14 HELIX 2 2 ARG A 443 GLY A 456 1 14 HELIX 3 3 ARG A 471 ARG A 481 1 11 SHEET 1 A 2 HIS A 400 THR A 401 0 SHEET 2 A 2 THR A 410 TYR A 411 -1 O TYR A 411 N HIS A 400 SHEET 1 B 2 TYR A 430 HIS A 431 0 SHEET 2 B 2 LYS A 440 PHE A 441 -1 O PHE A 441 N TYR A 430 SHEET 1 C 2 PHE A 460 GLN A 461 0 SHEET 2 C 2 ALA A 468 PHE A 469 -1 O PHE A 469 N PHE A 460 LINK O3' DG B 4 P 5CM B 5 1555 1555 1.61 LINK O3' 5CM B 5 P DG B 6 1555 1555 1.61 LINK O3'A DA C 4 P A5CM C 5 1555 1555 1.61 LINK O3'B DA C 4 P B5CM C 5 1555 1555 1.61 LINK O3'A5CM C 5 P DG C 6 1555 1555 1.61 LINK O3'B5CM C 5 P DG C 6 1555 1555 1.61 LINK NE2 HIS A 482 ZN ZN A 503 1555 1555 2.03 LINK NE2 HIS A 478 ZN ZN A 503 1555 1555 2.03 LINK NE2 HIS A 450 ZN ZN A 504 1555 1555 2.04 LINK NE2 HIS A 454 ZN ZN A 504 1555 1555 2.04 LINK NE2 HIS A 420 ZN ZN A 505 1555 1555 2.05 LINK NE2 HIS A 424 ZN ZN A 505 1555 1555 2.07 LINK SG CYS A 402 ZN ZN A 505 1555 1555 2.24 LINK SG CYS A 432 ZN ZN A 504 1555 1555 2.26 LINK SG CYS A 465 ZN ZN A 503 1555 1555 2.28 LINK SG CYS A 407 ZN ZN A 505 1555 1555 2.28 LINK SG CYS A 437 ZN ZN A 504 1555 1555 2.30 LINK SG CYS A 462 ZN ZN A 503 1555 1555 2.33 SITE 1 AC1 6 THR A 448 ARG A 452 THR A 455 HIS A 457 SITE 2 AC1 6 HOH A 665 HOH A 668 SITE 1 AC2 4 ARG A 452 HOH A 603 HOH A 652 DA C 4 SITE 1 AC3 4 CYS A 462 CYS A 465 HIS A 478 HIS A 482 SITE 1 AC4 4 CYS A 432 CYS A 437 HIS A 450 HIS A 454 SITE 1 AC5 4 CYS A 402 CYS A 407 HIS A 420 HIS A 424 CRYST1 48.705 48.705 131.015 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.020532 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020532 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007633 0.00000 ATOM 1 N THR A 399 38.931 61.670 128.296 1.00 62.51 N ANISOU 1 N THR A 399 6859 9028 7865 -288 -705 -1340 N ATOM 2 CA THR A 399 39.465 61.683 126.939 1.00 63.80 C ANISOU 2 CA THR A 399 7093 9271 7877 -153 -791 -1360 C ATOM 3 C THR A 399 40.856 61.043 126.864 1.00 59.45 C ANISOU 3 C THR A 399 6659 8661 7270 -178 -757 -1322 C ATOM 4 O THR A 399 41.171 60.323 125.913 1.00 60.56 O ANISOU 4 O THR A 399 6831 8808 7370 -131 -803 -1391 O ATOM 5 CB THR A 399 39.505 63.116 126.356 1.00 67.88 C ANISOU 5 CB THR A 399 7653 9912 8225 5 -840 -1269 C ATOM 6 OG1 THR A 399 39.973 64.032 127.356 1.00 71.30 O ANISOU 6 OG1 THR A 399 8122 10335 8633 -23 -772 -1135 O ATOM 7 CG2 THR A 399 38.120 63.547 125.893 1.00 65.47 C ANISOU 7 CG2 THR A 399 7245 9682 7950 78 -911 -1348 C ATOM 8 N HIS A 400 41.684 61.306 127.872 1.00 49.42 N ANISOU 8 N HIS A 400 5460 7317 6000 -244 -663 -1199 N ATOM 9 CA HIS A 400 43.019 60.723 127.931 1.00 42.63 C ANISOU 9 CA HIS A 400 4721 6375 5103 -263 -609 -1140 C ATOM 10 C HIS A 400 43.129 59.755 129.105 1.00 38.09 C ANISOU 10 C HIS A 400 4152 5635 4685 -412 -514 -1132 C ATOM 11 O HIS A 400 43.161 60.165 130.269 1.00 32.71 O ANISOU 11 O HIS A 400 3497 4879 4052 -469 -420 -1018 O ATOM 12 CB HIS A 400 44.081 61.818 128.017 1.00 38.93 C ANISOU 12 CB HIS A 400 4369 5922 4501 -183 -554 -964 C ATOM 13 CG HIS A 400 44.032 62.791 126.879 1.00 41.46 C ANISOU 13 CG HIS A 400 4705 6387 4659 -32 -626 -947 C ATOM 14 ND1 HIS A 400 43.092 63.796 126.800 1.00 46.46 N ANISOU 14 ND1 HIS A 400 5281 7104 5269 30 -665 -931 N ATOM 15 CD2 HIS A 400 44.803 62.909 125.772 1.00 37.90 C ANISOU 15 CD2 HIS A 400 4328 6013 4058 78 -659 -939 C ATOM 16 CE1 HIS A 400 43.288 64.496 125.696 1.00 43.24 C ANISOU 16 CE1 HIS A 400 4920 6810 4698 176 -722 -906 C ATOM 17 NE2 HIS A 400 44.323 63.981 125.057 1.00 41.17 N ANISOU 17 NE2 HIS A 400 4741 6549 4355 205 -713 -907 N ATOM 18 N THR A 401 43.191 58.469 128.781 1.00 29.04 N ANISOU 18 N THR A 401 2991 4430 3614 -467 -540 -1255 N ATOM 19 CA THR A 401 43.135 57.409 129.779 1.00 29.76 C ANISOU 19 CA THR A 401 3085 4355 3866 -607 -454 -1265 C ATOM 20 C THR A 401 44.490 56.765 130.046 1.00 25.19 C ANISOU 20 C THR A 401 2639 3671 3261 -615 -403 -1197 C ATOM 21 O THR A 401 45.220 56.409 129.115 1.00 24.72 O ANISOU 21 O THR A 401 2622 3650 3120 -546 -462 -1251 O ATOM 22 CB THR A 401 42.181 56.303 129.320 1.00 39.00 C ANISOU 22 CB THR A 401 4153 5490 5173 -663 -498 -1432 C ATOM 23 OG1 THR A 401 40.931 56.889 128.941 1.00 41.27 O ANISOU 23 OG1 THR A 401 4325 5877 5477 -623 -549 -1484 O ATOM 24 CG2 THR A 401 41.955 55.294 130.435 1.00 40.82 C ANISOU 24 CG2 THR A 401 4388 5539 5583 -811 -387 -1421 C ATOM 25 N CYS A 402 44.822 56.600 131.320 1.00 23.75 N ANISOU 25 N CYS A 402 2523 3359 3143 -689 -295 -1085 N ATOM 26 CA CYS A 402 46.020 55.854 131.678 1.00 22.78 C ANISOU 26 CA CYS A 402 2517 3122 3015 -698 -252 -1035 C ATOM 27 C CYS A 402 45.823 54.368 131.391 1.00 28.49 C ANISOU 27 C CYS A 402 3220 3743 3860 -768 -268 -1170 C ATOM 28 O CYS A 402 44.964 53.726 131.993 1.00 30.76 O ANISOU 28 O CYS A 402 3458 3932 4298 -877 -217 -1211 O ATOM 29 CB CYS A 402 46.351 56.044 133.148 1.00 23.55 C ANISOU 29 CB CYS A 402 2694 3111 3143 -745 -142 -887 C ATOM 30 SG CYS A 402 47.889 55.257 133.590 1.00 20.98 S ANISOU 30 SG CYS A 402 2515 2663 2795 -726 -107 -823 S ATOM 31 N ASP A 403 46.620 53.823 130.477 1.00 24.02 N ANISOU 31 N ASP A 403 2694 3195 3237 -707 -332 -1242 N ATOM 32 CA ASP A 403 46.510 52.412 130.124 1.00 30.77 C ANISOU 32 CA ASP A 403 3534 3949 4207 -763 -356 -1383 C ATOM 33 C ASP A 403 47.571 51.554 130.811 1.00 26.17 C ANISOU 33 C ASP A 403 3077 3206 3659 -784 -291 -1317 C ATOM 34 O ASP A 403 47.834 50.430 130.386 1.00 33.23 O ANISOU 34 O ASP A 403 3989 4019 4617 -796 -319 -1419 O ATOM 35 CB ASP A 403 46.603 52.226 128.605 1.00 35.50 C ANISOU 35 CB ASP A 403 4101 4666 4720 -660 -467 -1499 C ATOM 36 CG ASP A 403 45.415 52.811 127.868 1.00 44.52 C ANISOU 36 CG ASP A 403 5128 5945 5844 -620 -534 -1560 C ATOM 37 OD1 ASP A 403 44.321 52.880 128.462 1.00 48.44 O ANISOU 37 OD1 ASP A 403 5543 6408 6453 -699 -501 -1565 O ATOM 38 OD2 ASP A 403 45.577 53.195 126.690 1.00 46.75 O ANISOU 38 OD2 ASP A 403 5405 6364 5995 -501 -615 -1599 O ATOM 39 N TYR A 404 48.185 52.077 131.867 1.00 22.88 N ANISOU 39 N TYR A 404 2749 2744 3201 -776 -213 -1149 N ATOM 40 CA TYR A 404 49.176 51.305 132.603 1.00 22.47 C ANISOU 40 CA TYR A 404 2819 2544 3175 -780 -159 -1082 C ATOM 41 C TYR A 404 48.515 50.356 133.602 1.00 29.30 C ANISOU 41 C TYR A 404 3706 3226 4202 -897 -71 -1069 C ATOM 42 O TYR A 404 47.760 50.801 134.472 1.00 33.94 O ANISOU 42 O TYR A 404 4272 3795 4830 -958 2 -992 O ATOM 43 CB TYR A 404 50.142 52.224 133.348 1.00 22.57 C ANISOU 43 CB TYR A 404 2917 2583 3077 -713 -121 -921 C ATOM 44 CG TYR A 404 51.339 51.479 133.874 1.00 23.15 C ANISOU 44 CG TYR A 404 3110 2536 3151 -680 -98 -874 C ATOM 45 CD1 TYR A 404 52.468 51.322 133.088 1.00 26.32 C ANISOU 45 CD1 TYR A 404 3542 2982 3478 -591 -154 -917 C ATOM 46 CD2 TYR A 404 51.336 50.912 135.142 1.00 23.16 C ANISOU 46 CD2 TYR A 404 3197 2379 3223 -729 -18 -789 C ATOM 47 CE1 TYR A 404 53.566 50.628 133.540 1.00 30.36 C ANISOU 47 CE1 TYR A 404 4152 3388 3996 -551 -142 -887 C ATOM 48 CE2 TYR A 404 52.437 50.212 135.612 1.00 27.14 C ANISOU 48 CE2 TYR A 404 3816 2775 3722 -681 -9 -749 C ATOM 49 CZ TYR A 404 53.551 50.076 134.800 1.00 31.31 C ANISOU 49 CZ TYR A 404 4359 3352 4184 -591 -77 -804 C ATOM 50 OH TYR A 404 54.659 49.386 135.230 1.00 32.70 O ANISOU 50 OH TYR A 404 4638 3427 4359 -532 -78 -777 O ATOM 51 N ALA A 405 48.812 49.063 133.470 1.00 28.59 N ANISOU 51 N ALA A 405 3661 2997 4203 -924 -71 -1142 N ATOM 52 CA ALA A 405 48.306 48.031 134.378 1.00 35.30 C ANISOU 52 CA ALA A 405 4553 3645 5213 -1033 26 -1123 C ATOM 53 C ALA A 405 46.819 48.210 134.625 1.00 43.31 C ANISOU 53 C ALA A 405 5453 4676 6327 -1125 73 -1134 C ATOM 54 O ALA A 405 46.048 48.483 133.704 1.00 49.62 O ANISOU 54 O ALA A 405 6122 5601 7131 -1119 -1 -1241 O ATOM 55 CB ALA A 405 49.070 48.063 135.705 1.00 28.59 C ANISOU 55 CB ALA A 405 3854 2691 4319 -1006 113 -942 C ATOM 56 N GLY A 406 46.426 48.074 135.883 1.00 47.51 N ANISOU 56 N GLY A 406 6038 5093 6922 -1191 197 -1013 N ATOM 57 CA GLY A 406 45.077 48.404 136.279 1.00 53.83 C ANISOU 57 CA GLY A 406 6732 5925 7797 -1264 258 -998 C ATOM 58 C GLY A 406 45.068 49.801 136.862 1.00 58.10 C ANISOU 58 C GLY A 406 7271 6569 8237 -1249 291 -907 C ATOM 59 O GLY A 406 45.131 49.963 138.085 1.00 66.34 O ANISOU 59 O GLY A 406 8403 7536 9268 -1269 401 -768 O ATOM 60 N CYS A 407 45.023 50.814 135.995 1.00 40.34 N ANISOU 60 N CYS A 407 4931 4500 5896 -1193 190 -971 N ATOM 61 CA CYS A 407 44.880 52.187 136.467 1.00 34.55 C ANISOU 61 CA CYS A 407 4183 3889 5055 -1146 205 -867 C ATOM 62 C CYS A 407 43.576 52.826 136.002 1.00 33.68 C ANISOU 62 C CYS A 407 3904 3899 4994 -1181 176 -956 C ATOM 63 O CYS A 407 42.656 53.007 136.795 1.00 27.92 O ANISOU 63 O CYS A 407 3125 3140 4345 -1257 269 -923 O ATOM 64 CB CYS A 407 46.065 53.064 136.055 1.00 29.51 C ANISOU 64 CB CYS A 407 3609 3366 4238 -1013 125 -807 C ATOM 65 SG CYS A 407 46.014 54.703 136.828 1.00 24.04 S ANISOU 65 SG CYS A 407 2921 2783 3431 -960 158 -667 S ATOM 66 N GLY A 408 43.515 53.198 134.728 1.00 39.22 N ANISOU 66 N GLY A 408 4523 4743 5638 -1115 47 -1069 N ATOM 67 CA GLY A 408 42.319 53.803 134.169 1.00 43.85 C ANISOU 67 CA GLY A 408 4950 5456 6257 -1122 -6 -1167 C ATOM 68 C GLY A 408 41.985 55.228 134.597 1.00 48.79 C ANISOU 68 C GLY A 408 5548 6197 6795 -1073 9 -1069 C ATOM 69 O GLY A 408 40.879 55.700 134.327 1.00 57.35 O ANISOU 69 O GLY A 408 6495 7369 7926 -1085 -21 -1146 O ATOM 70 N LYS A 409 42.916 55.921 135.256 1.00 38.58 N ANISOU 70 N LYS A 409 4377 4901 5382 -1011 49 -912 N ATOM 71 CA LYS A 409 42.701 57.334 135.575 1.00 31.25 C ANISOU 71 CA LYS A 409 3429 4079 4365 -951 52 -825 C ATOM 72 C LYS A 409 42.554 58.124 134.287 1.00 34.62 C ANISOU 72 C LYS A 409 3783 4671 4699 -851 -74 -896 C ATOM 73 O LYS A 409 43.099 57.732 133.254 1.00 37.86 O ANISOU 73 O LYS A 409 4211 5117 5058 -800 -158 -966 O ATOM 74 CB LYS A 409 43.849 57.905 136.403 1.00 33.80 C ANISOU 74 CB LYS A 409 3894 4369 4580 -896 101 -666 C ATOM 75 CG LYS A 409 43.914 57.343 137.808 1.00 37.54 C ANISOU 75 CG LYS A 409 4451 4699 5115 -969 226 -577 C ATOM 76 CD LYS A 409 44.764 58.199 138.720 1.00 34.42 C ANISOU 76 CD LYS A 409 4163 4303 4610 -903 263 -436 C ATOM 77 CE LYS A 409 44.682 57.681 140.152 1.00 39.54 C ANISOU 77 CE LYS A 409 4897 4823 5303 -961 387 -349 C ATOM 78 NZ LYS A 409 45.449 58.529 141.102 1.00 47.38 N ANISOU 78 NZ LYS A 409 5990 5825 6189 -890 412 -228 N ATOM 79 N THR A 410 41.809 59.226 134.335 1.00 32.85 N ANISOU 79 N THR A 410 3484 4548 4449 -815 -88 -879 N ATOM 80 CA THR A 410 41.563 60.005 133.121 1.00 32.80 C ANISOU 80 CA THR A 410 3416 4698 4350 -707 -207 -939 C ATOM 81 C THR A 410 41.880 61.483 133.299 1.00 32.22 C ANISOU 81 C THR A 410 3387 4699 4156 -612 -204 -813 C ATOM 82 O THR A 410 41.805 62.018 134.406 1.00 36.61 O ANISOU 82 O THR A 410 3968 5211 4732 -641 -119 -715 O ATOM 83 CB THR A 410 40.125 59.827 132.599 1.00 37.66 C ANISOU 83 CB THR A 410 3863 5384 5064 -734 -268 -1096 C ATOM 84 OG1 THR A 410 39.194 60.067 133.663 1.00 34.73 O ANISOU 84 OG1 THR A 410 3419 4974 4802 -813 -177 -1070 O ATOM 85 CG2 THR A 410 39.931 58.415 132.061 1.00 39.44 C ANISOU 85 CG2 THR A 410 4038 5551 5397 -806 -303 -1249 C ATOM 86 N TYR A 411 42.256 62.129 132.200 1.00 24.68 N ANISOU 86 N TYR A 411 2450 3854 3075 -495 -293 -816 N ATOM 87 CA TYR A 411 42.647 63.532 132.230 1.00 24.70 C ANISOU 87 CA TYR A 411 2504 3915 2967 -400 -288 -695 C ATOM 88 C TYR A 411 42.042 64.284 131.052 1.00 32.01 C ANISOU 88 C TYR A 411 3370 4985 3808 -284 -393 -747 C ATOM 89 O TYR A 411 41.514 63.669 130.127 1.00 31.38 O ANISOU 89 O TYR A 411 3222 4969 3734 -265 -481 -881 O ATOM 90 CB TYR A 411 44.173 63.659 132.249 1.00 22.50 C ANISOU 90 CB TYR A 411 2358 3591 2600 -366 -253 -592 C ATOM 91 CG TYR A 411 44.773 63.089 133.516 1.00 17.52 C ANISOU 91 CG TYR A 411 1794 2826 2038 -455 -160 -530 C ATOM 92 CD1 TYR A 411 44.902 63.872 134.653 1.00 18.99 C ANISOU 92 CD1 TYR A 411 2016 2970 2231 -465 -88 -424 C ATOM 93 CD2 TYR A 411 45.174 61.757 133.586 1.00 16.24 C ANISOU 93 CD2 TYR A 411 1662 2577 1930 -519 -147 -583 C ATOM 94 CE1 TYR A 411 45.432 63.358 135.815 1.00 18.27 C ANISOU 94 CE1 TYR A 411 1993 2765 2182 -527 -12 -370 C ATOM 95 CE2 TYR A 411 45.706 61.234 134.749 1.00 21.02 C ANISOU 95 CE2 TYR A 411 2342 3060 2586 -583 -65 -519 C ATOM 96 CZ TYR A 411 45.825 62.040 135.864 1.00 21.20 C ANISOU 96 CZ TYR A 411 2402 3053 2599 -583 0 -412 C ATOM 97 OH TYR A 411 46.351 61.529 137.036 1.00 18.80 O ANISOU 97 OH TYR A 411 2182 2636 2327 -629 74 -350 O ATOM 98 N THR A 412 42.116 65.612 131.096 1.00 34.23 N ANISOU 98 N THR A 412 3682 5314 4012 -200 -386 -645 N ATOM 99 CA THR A 412 41.508 66.452 130.066 1.00 37.78 C ANISOU 99 CA THR A 412 4091 5894 4372 -73 -480 -672 C ATOM 100 C THR A 412 42.529 66.936 129.041 1.00 33.71 C ANISOU 100 C THR A 412 3683 5428 3697 42 -505 -602 C ATOM 101 O THR A 412 42.153 67.433 127.985 1.00 34.67 O ANISOU 101 O THR A 412 3794 5661 3717 164 -589 -628 O ATOM 102 CB THR A 412 40.787 67.675 130.682 1.00 38.25 C ANISOU 102 CB THR A 412 4110 5974 4449 -38 -459 -607 C ATOM 103 OG1 THR A 412 41.727 68.480 131.406 1.00 39.08 O ANISOU 103 OG1 THR A 412 4319 6006 4523 -37 -371 -455 O ATOM 104 CG2 THR A 412 39.680 67.226 131.623 1.00 36.66 C ANISOU 104 CG2 THR A 412 3789 5738 4400 -145 -426 -684 C ATOM 105 N LYS A 413 43.815 66.800 129.367 1.00 26.12 N ANISOU 105 N LYS A 413 2825 4386 2715 9 -429 -513 N ATOM 106 CA LYS A 413 44.908 67.128 128.444 1.00 28.86 C ANISOU 106 CA LYS A 413 3270 4767 2929 99 -427 -449 C ATOM 107 C LYS A 413 45.869 65.947 128.339 1.00 29.20 C ANISOU 107 C LYS A 413 3358 4754 2984 42 -406 -490 C ATOM 108 O LYS A 413 46.096 65.237 129.324 1.00 26.18 O ANISOU 108 O LYS A 413 2973 4268 2706 -66 -355 -498 O ATOM 109 CB LYS A 413 45.708 68.340 128.943 1.00 26.50 C ANISOU 109 CB LYS A 413 3050 4418 2600 126 -342 -289 C ATOM 110 CG LYS A 413 45.173 69.699 128.555 1.00 31.20 C ANISOU 110 CG LYS A 413 3648 5077 3128 234 -362 -220 C ATOM 111 CD LYS A 413 45.746 70.794 129.455 1.00 33.52 C ANISOU 111 CD LYS A 413 3993 5287 3457 219 -271 -86 C ATOM 112 CE LYS A 413 47.173 71.165 129.089 1.00 33.29 C ANISOU 112 CE LYS A 413 4062 5219 3366 246 -201 11 C ATOM 113 NZ LYS A 413 47.226 72.082 127.934 1.00 27.69 N ANISOU 113 NZ LYS A 413 3408 4579 2532 378 -209 80 N ATOM 114 N SER A 414 46.448 65.747 127.157 1.00 21.64 N ANISOU 114 N SER A 414 2448 3865 1911 125 -441 -514 N ATOM 115 CA SER A 414 47.516 64.760 126.992 1.00 27.18 C ANISOU 115 CA SER A 414 3200 4517 2611 90 -415 -544 C ATOM 116 C SER A 414 48.677 64.991 127.965 1.00 27.84 C ANISOU 116 C SER A 414 3348 4489 2740 32 -311 -430 C ATOM 117 O SER A 414 49.220 64.038 128.528 1.00 24.84 O ANISOU 117 O SER A 414 2982 4023 2433 -44 -285 -461 O ATOM 118 CB SER A 414 48.031 64.745 125.543 1.00 29.81 C ANISOU 118 CB SER A 414 3584 4953 2791 208 -452 -568 C ATOM 119 OG SER A 414 48.638 65.981 125.208 1.00 33.39 O ANISOU 119 OG SER A 414 4108 5437 3142 293 -394 -429 O ATOM 120 N SER A 415 49.059 66.249 128.176 1.00 26.83 N ANISOU 120 N SER A 415 3259 4360 2576 73 -255 -304 N ATOM 121 CA SER A 415 50.206 66.543 129.036 1.00 25.79 C ANISOU 121 CA SER A 415 3179 4132 2489 29 -168 -212 C ATOM 122 C SER A 415 49.972 66.161 130.504 1.00 20.80 C ANISOU 122 C SER A 415 2524 3398 1981 -75 -143 -215 C ATOM 123 O SER A 415 50.908 65.775 131.202 1.00 21.02 O ANISOU 123 O SER A 415 2589 3343 2053 -119 -99 -193 O ATOM 124 CB SER A 415 50.612 68.016 128.924 1.00 34.27 C ANISOU 124 CB SER A 415 4291 5217 3514 92 -112 -87 C ATOM 125 OG SER A 415 49.649 68.860 129.529 1.00 39.15 O ANISOU 125 OG SER A 415 4873 5833 4170 90 -121 -51 O ATOM 126 N HIS A 416 48.729 66.274 130.972 1.00 16.58 N ANISOU 126 N HIS A 416 1929 2873 1498 -105 -168 -242 N ATOM 127 CA HIS A 416 48.385 65.836 132.326 1.00 16.18 C ANISOU 127 CA HIS A 416 1860 2732 1554 -199 -134 -246 C ATOM 128 C HIS A 416 48.555 64.320 132.446 1.00 14.34 C ANISOU 128 C HIS A 416 1633 2440 1376 -267 -142 -329 C ATOM 129 O HIS A 416 49.062 63.818 133.453 1.00 16.20 O ANISOU 129 O HIS A 416 1910 2578 1668 -324 -95 -303 O ATOM 130 CB HIS A 416 46.937 66.197 132.671 1.00 14.03 C ANISOU 130 CB HIS A 416 1508 2493 1329 -217 -153 -273 C ATOM 131 CG HIS A 416 46.661 67.667 132.693 1.00 19.80 C ANISOU 131 CG HIS A 416 2235 3268 2021 -150 -145 -195 C ATOM 132 ND1 HIS A 416 45.386 68.180 132.811 1.00 24.61 N ANISOU 132 ND1 HIS A 416 2767 3926 2657 -137 -172 -220 N ATOM 133 CD2 HIS A 416 47.489 68.734 132.601 1.00 17.50 C ANISOU 133 CD2 HIS A 416 2001 2971 1677 -92 -112 -97 C ATOM 134 CE1 HIS A 416 45.442 69.499 132.791 1.00 23.33 C ANISOU 134 CE1 HIS A 416 2626 3786 2454 -67 -159 -136 C ATOM 135 NE2 HIS A 416 46.708 69.861 132.666 1.00 18.61 N ANISOU 135 NE2 HIS A 416 2110 3149 1811 -43 -119 -59 N ATOM 136 N LEU A 417 48.106 63.592 131.428 1.00 14.73 N ANISOU 136 N LEU A 417 1644 2545 1409 -253 -206 -433 N ATOM 137 CA LEU A 417 48.265 62.143 131.418 1.00 15.30 C ANISOU 137 CA LEU A 417 1721 2553 1541 -313 -217 -522 C ATOM 138 C LEU A 417 49.738 61.753 131.350 1.00 18.23 C ANISOU 138 C LEU A 417 2176 2876 1876 -292 -191 -491 C ATOM 139 O LEU A 417 50.186 60.838 132.045 1.00 14.49 O ANISOU 139 O LEU A 417 1740 2298 1468 -348 -163 -500 O ATOM 140 CB LEU A 417 47.505 61.528 130.239 1.00 16.34 C ANISOU 140 CB LEU A 417 1786 2764 1659 -290 -303 -658 C ATOM 141 CG LEU A 417 47.751 60.041 129.981 1.00 16.96 C ANISOU 141 CG LEU A 417 1870 2778 1794 -338 -325 -768 C ATOM 142 CD1 LEU A 417 47.404 59.218 131.211 1.00 18.30 C ANISOU 142 CD1 LEU A 417 2037 2811 2106 -456 -266 -769 C ATOM 143 CD2 LEU A 417 46.940 59.572 128.783 1.00 18.28 C ANISOU 143 CD2 LEU A 417 1962 3038 1946 -305 -423 -919 C ATOM 144 N LYS A 418 50.491 62.443 130.498 1.00 16.88 N ANISOU 144 N LYS A 418 2034 2778 1602 -207 -196 -452 N ATOM 145 CA LYS A 418 51.917 62.176 130.373 1.00 16.98 C ANISOU 145 CA LYS A 418 2110 2756 1585 -182 -164 -428 C ATOM 146 C LYS A 418 52.631 62.365 131.711 1.00 19.14 C ANISOU 146 C LYS A 418 2425 2929 1921 -224 -105 -347 C ATOM 147 O LYS A 418 53.435 61.520 132.118 1.00 16.89 O ANISOU 147 O LYS A 418 2178 2566 1671 -244 -94 -366 O ATOM 148 CB LYS A 418 52.532 63.061 129.281 1.00 18.75 C ANISOU 148 CB LYS A 418 2354 3076 1693 -87 -155 -385 C ATOM 149 CG LYS A 418 53.942 62.638 128.868 1.00 31.04 C ANISOU 149 CG LYS A 418 3957 4620 3219 -56 -124 -390 C ATOM 150 CD LYS A 418 54.619 63.728 128.046 1.00 34.86 C ANISOU 150 CD LYS A 418 4464 5177 3604 25 -77 -313 C ATOM 151 CE LYS A 418 55.970 63.289 127.529 1.00 39.53 C ANISOU 151 CE LYS A 418 5087 5767 4166 57 -37 -330 C ATOM 152 NZ LYS A 418 56.494 64.237 126.510 1.00 42.28 N ANISOU 152 NZ LYS A 418 5458 6197 4408 139 21 -264 N ATOM 153 N ALA A 419 52.330 63.461 132.409 1.00 14.33 N ANISOU 153 N ALA A 419 1807 2318 1321 -228 -74 -265 N ATOM 154 CA ALA A 419 52.885 63.676 133.749 1.00 15.12 C ANISOU 154 CA ALA A 419 1942 2330 1473 -260 -29 -202 C ATOM 155 C ALA A 419 52.436 62.583 134.721 1.00 14.70 C ANISOU 155 C ALA A 419 1905 2187 1494 -330 -25 -234 C ATOM 156 O ALA A 419 53.236 62.082 135.514 1.00 13.47 O ANISOU 156 O ALA A 419 1804 1950 1366 -340 -6 -218 O ATOM 157 CB ALA A 419 52.512 65.066 134.287 1.00 12.96 C ANISOU 157 CB ALA A 419 1651 2074 1197 -248 -1 -123 C ATOM 158 N HIS A 420 51.157 62.220 134.678 1.00 12.67 N ANISOU 158 N HIS A 420 1600 1940 1273 -375 -38 -280 N ATOM 159 CA HIS A 420 50.670 61.145 135.541 1.00 13.28 C ANISOU 159 CA HIS A 420 1693 1920 1431 -450 -14 -306 C ATOM 160 C HIS A 420 51.410 59.825 135.284 1.00 14.02 C ANISOU 160 C HIS A 420 1835 1945 1546 -458 -29 -361 C ATOM 161 O HIS A 420 51.711 59.085 136.220 1.00 13.45 O ANISOU 161 O HIS A 420 1825 1766 1520 -489 4 -340 O ATOM 162 CB HIS A 420 49.160 60.934 135.400 1.00 13.91 C ANISOU 162 CB HIS A 420 1692 2025 1567 -505 -21 -364 C ATOM 163 CG HIS A 420 48.693 59.606 135.916 1.00 17.59 C ANISOU 163 CG HIS A 420 2167 2386 2129 -589 9 -413 C ATOM 164 ND1 HIS A 420 48.680 59.295 137.259 1.00 17.74 N ANISOU 164 ND1 HIS A 420 2245 2301 2194 -636 83 -348 N ATOM 165 CD2 HIS A 420 48.261 58.496 135.269 1.00 18.19 C ANISOU 165 CD2 HIS A 420 2208 2436 2267 -632 -20 -519 C ATOM 166 CE1 HIS A 420 48.241 58.057 137.419 1.00 21.86 C ANISOU 166 CE1 HIS A 420 2772 2730 2805 -708 109 -400 C ATOM 167 NE2 HIS A 420 47.977 57.551 136.227 1.00 19.71 N ANISOU 167 NE2 HIS A 420 2436 2498 2553 -712 46 -510 N ATOM 168 N LEU A 421 51.709 59.525 134.022 1.00 13.76 N ANISOU 168 N LEU A 421 1782 1972 1475 -419 -79 -432 N ATOM 169 CA LEU A 421 52.372 58.262 133.703 1.00 14.23 C ANISOU 169 CA LEU A 421 1881 1967 1557 -421 -98 -499 C ATOM 170 C LEU A 421 53.715 58.093 134.422 1.00 13.69 C ANISOU 170 C LEU A 421 1893 1826 1483 -390 -73 -444 C ATOM 171 O LEU A 421 54.136 56.967 134.695 1.00 14.09 O ANISOU 171 O LEU A 421 1995 1781 1578 -402 -75 -477 O ATOM 172 CB LEU A 421 52.534 58.082 132.186 1.00 14.76 C ANISOU 172 CB LEU A 421 1915 2129 1565 -367 -155 -589 C ATOM 173 CG LEU A 421 51.290 57.551 131.470 1.00 15.77 C ANISOU 173 CG LEU A 421 1971 2294 1728 -401 -205 -700 C ATOM 174 CD1 LEU A 421 51.322 57.832 129.972 1.00 16.48 C ANISOU 174 CD1 LEU A 421 2027 2518 1717 -320 -267 -770 C ATOM 175 CD2 LEU A 421 51.130 56.058 131.713 1.00 16.91 C ANISOU 175 CD2 LEU A 421 2130 2317 1978 -468 -208 -785 C ATOM 176 N ARG A 422 54.356 59.207 134.772 1.00 12.91 N ANISOU 176 N ARG A 422 1803 1765 1338 -348 -53 -365 N ATOM 177 CA ARG A 422 55.644 59.140 135.450 1.00 12.52 C ANISOU 177 CA ARG A 422 1812 1658 1287 -310 -42 -328 C ATOM 178 C ARG A 422 55.527 58.511 136.831 1.00 12.60 C ANISOU 178 C ARG A 422 1888 1552 1348 -342 -19 -292 C ATOM 179 O ARG A 422 56.517 58.025 137.367 1.00 16.31 O ANISOU 179 O ARG A 422 2419 1957 1823 -305 -27 -286 O ATOM 180 CB ARG A 422 56.285 60.526 135.566 1.00 11.83 C ANISOU 180 CB ARG A 422 1705 1629 1160 -267 -24 -263 C ATOM 181 CG ARG A 422 56.259 61.311 134.265 1.00 14.84 C ANISOU 181 CG ARG A 422 2033 2121 1483 -234 -26 -271 C ATOM 182 CD ARG A 422 57.244 62.468 134.258 1.00 20.33 C ANISOU 182 CD ARG A 422 2718 2848 2159 -191 6 -216 C ATOM 183 NE ARG A 422 57.290 63.035 132.915 1.00 19.25 N ANISOU 183 NE ARG A 422 2550 2805 1957 -151 18 -217 N ATOM 184 CZ ARG A 422 56.833 64.239 132.587 1.00 18.95 C ANISOU 184 CZ ARG A 422 2488 2825 1886 -136 41 -158 C ATOM 185 NH1 ARG A 422 56.336 65.048 133.519 1.00 13.32 N ANISOU 185 NH1 ARG A 422 1769 2085 1207 -160 53 -103 N ATOM 186 NH2 ARG A 422 56.910 64.645 131.326 1.00 18.50 N ANISOU 186 NH2 ARG A 422 2422 2852 1757 -86 56 -154 N ATOM 187 N THR A 423 54.329 58.518 137.412 1.00 15.80 N ANISOU 187 N THR A 423 2285 1932 1786 -403 11 -269 N ATOM 188 CA THR A 423 54.135 57.854 138.698 1.00 17.53 C ANISOU 188 CA THR A 423 2580 2038 2044 -432 51 -226 C ATOM 189 C THR A 423 54.325 56.346 138.549 1.00 25.51 C ANISOU 189 C THR A 423 3643 2945 3104 -449 44 -278 C ATOM 190 O THR A 423 54.759 55.675 139.490 1.00 23.80 O ANISOU 190 O THR A 423 3520 2623 2900 -433 65 -239 O ATOM 191 CB THR A 423 52.757 58.163 139.327 1.00 21.27 C ANISOU 191 CB THR A 423 3027 2508 2549 -499 104 -192 C ATOM 192 OG1 THR A 423 51.712 57.614 138.512 1.00 22.57 O ANISOU 192 OG1 THR A 423 3122 2685 2770 -563 101 -266 O ATOM 193 CG2 THR A 423 52.555 59.665 139.477 1.00 21.26 C ANISOU 193 CG2 THR A 423 2975 2601 2502 -475 107 -146 C ATOM 194 N HIS A 424 54.010 55.818 137.365 1.00 14.40 N ANISOU 194 N HIS A 424 2181 1567 1722 -471 13 -368 N ATOM 195 CA HIS A 424 54.180 54.395 137.092 1.00 15.29 C ANISOU 195 CA HIS A 424 2336 1579 1894 -487 1 -435 C ATOM 196 C HIS A 424 55.570 54.044 136.580 1.00 22.87 C ANISOU 196 C HIS A 424 3329 2542 2817 -405 -47 -472 C ATOM 197 O HIS A 424 56.087 52.974 136.876 1.00 22.55 O ANISOU 197 O HIS A 424 3362 2391 2816 -389 -51 -489 O ATOM 198 CB HIS A 424 53.153 53.887 136.063 1.00 16.58 C ANISOU 198 CB HIS A 424 2419 1768 2114 -548 -19 -540 C ATOM 199 CG HIS A 424 51.723 54.141 136.435 1.00 24.97 C ANISOU 199 CG HIS A 424 3422 2832 3233 -633 25 -530 C ATOM 200 ND1 HIS A 424 51.124 53.567 137.536 1.00 24.85 N ANISOU 200 ND1 HIS A 424 3454 2691 3295 -703 102 -481 N ATOM 201 CD2 HIS A 424 50.762 54.876 135.825 1.00 23.13 C ANISOU 201 CD2 HIS A 424 3085 2711 2993 -655 5 -568 C ATOM 202 CE1 HIS A 424 49.861 53.956 137.601 1.00 24.05 C ANISOU 202 CE1 HIS A 424 3269 2628 3240 -771 134 -493 C ATOM 203 NE2 HIS A 424 49.619 54.757 136.578 1.00 26.01 N ANISOU 203 NE2 HIS A 424 3422 3021 3439 -741 69 -549 N ATOM 204 N THR A 425 56.156 54.921 135.772 1.00 14.58 N ANISOU 204 N THR A 425 2225 1616 1699 -351 -77 -486 N ATOM 205 CA THR A 425 57.433 54.611 135.131 1.00 20.53 C ANISOU 205 CA THR A 425 2990 2387 2423 -277 -112 -534 C ATOM 206 C THR A 425 58.637 54.979 135.991 1.00 20.72 C ANISOU 206 C THR A 425 3060 2387 2427 -213 -110 -475 C ATOM 207 O THR A 425 59.737 54.449 135.786 1.00 17.97 O ANISOU 207 O THR A 425 2734 2015 2078 -152 -136 -516 O ATOM 208 CB THR A 425 57.577 55.341 133.788 1.00 17.37 C ANISOU 208 CB THR A 425 2514 2130 1956 -243 -130 -577 C ATOM 209 OG1 THR A 425 57.562 56.756 134.019 1.00 17.45 O ANISOU 209 OG1 THR A 425 2490 2220 1921 -234 -105 -496 O ATOM 210 CG2 THR A 425 56.446 54.963 132.852 1.00 15.12 C ANISOU 210 CG2 THR A 425 2179 1885 1679 -285 -154 -657 C ATOM 211 N GLY A 426 58.431 55.905 136.926 1.00 16.81 N ANISOU 211 N GLY A 426 2570 1902 1916 -222 -84 -390 N ATOM 212 CA GLY A 426 59.507 56.436 137.748 1.00 17.04 C ANISOU 212 CA GLY A 426 2624 1923 1925 -159 -93 -348 C ATOM 213 C GLY A 426 60.369 57.435 137.001 1.00 22.46 C ANISOU 213 C GLY A 426 3237 2715 2582 -118 -97 -363 C ATOM 214 O GLY A 426 61.478 57.757 137.419 1.00 15.62 O ANISOU 214 O GLY A 426 2369 1848 1717 -61 -111 -362 O ATOM 215 N GLU A 427 59.861 57.924 135.880 1.00 12.58 N ANISOU 215 N GLU A 427 1922 1554 1303 -142 -82 -381 N ATOM 216 CA GLU A 427 60.597 58.898 135.077 1.00 12.49 C ANISOU 216 CA GLU A 427 1848 1637 1259 -106 -65 -381 C ATOM 217 C GLU A 427 60.670 60.233 135.818 1.00 16.83 C ANISOU 217 C GLU A 427 2376 2207 1813 -109 -40 -308 C ATOM 218 O GLU A 427 59.658 60.690 136.353 1.00 11.43 O ANISOU 218 O GLU A 427 1699 1519 1127 -149 -30 -260 O ATOM 219 CB GLU A 427 59.867 59.111 133.754 1.00 16.02 C ANISOU 219 CB GLU A 427 2253 2174 1659 -120 -55 -404 C ATOM 220 CG GLU A 427 60.680 59.802 132.696 1.00 24.97 C ANISOU 220 CG GLU A 427 3342 3399 2746 -73 -24 -410 C ATOM 221 CD GLU A 427 61.628 58.846 132.002 1.00 31.43 C ANISOU 221 CD GLU A 427 4164 4216 3560 -26 -36 -492 C ATOM 222 OE1 GLU A 427 62.791 58.739 132.437 1.00 26.70 O ANISOU 222 OE1 GLU A 427 3564 3583 2999 7 -32 -504 O ATOM 223 OE2 GLU A 427 61.206 58.194 131.029 1.00 36.32 O ANISOU 223 OE2 GLU A 427 4785 4874 4141 -18 -55 -555 O ATOM 224 N LYS A 428 61.857 60.846 135.865 1.00 11.97 N ANISOU 224 N LYS A 428 1727 1609 1212 -68 -29 -310 N ATOM 225 CA LYS A 428 62.041 62.156 136.507 1.00 15.15 C ANISOU 225 CA LYS A 428 2099 2023 1634 -70 -7 -258 C ATOM 226 C LYS A 428 62.915 63.059 135.628 1.00 14.14 C ANISOU 226 C LYS A 428 1901 1957 1514 -51 41 -260 C ATOM 227 O LYS A 428 64.129 63.170 135.832 1.00 14.22 O ANISOU 227 O LYS A 428 1877 1954 1572 -18 42 -295 O ATOM 228 CB LYS A 428 62.628 62.009 137.917 1.00 19.40 C ANISOU 228 CB LYS A 428 2671 2492 2207 -41 -46 -263 C ATOM 229 CG LYS A 428 61.707 61.259 138.870 1.00 16.84 C ANISOU 229 CG LYS A 428 2429 2102 1867 -60 -69 -237 C ATOM 230 CD LYS A 428 62.282 61.132 140.278 1.00 18.09 C ANISOU 230 CD LYS A 428 2640 2200 2035 -11 -109 -235 C ATOM 231 CE LYS A 428 61.297 60.401 141.191 1.00 23.75 C ANISOU 231 CE LYS A 428 3450 2848 2725 -30 -107 -191 C ATOM 232 NZ LYS A 428 61.760 60.373 142.590 1.00 26.75 N ANISOU 232 NZ LYS A 428 3896 3179 3088 32 -143 -178 N ATOM 233 N PRO A 429 62.290 63.701 134.631 1.00 11.45 N ANISOU 233 N PRO A 429 1538 1682 1129 -67 85 -224 N ATOM 234 CA PRO A 429 63.030 64.401 133.575 1.00 14.30 C ANISOU 234 CA PRO A 429 1851 2101 1482 -45 150 -215 C ATOM 235 C PRO A 429 63.603 65.747 133.991 1.00 12.20 C ANISOU 235 C PRO A 429 1538 1821 1277 -53 199 -172 C ATOM 236 O PRO A 429 64.413 66.311 133.240 1.00 13.07 O ANISOU 236 O PRO A 429 1604 1959 1403 -41 270 -165 O ATOM 237 CB PRO A 429 61.969 64.627 132.483 1.00 17.24 C ANISOU 237 CB PRO A 429 2237 2545 1770 -47 170 -181 C ATOM 238 CG PRO A 429 60.748 63.837 132.908 1.00 13.67 C ANISOU 238 CG PRO A 429 1823 2072 1299 -75 105 -199 C ATOM 239 CD PRO A 429 60.837 63.702 134.389 1.00 11.20 C ANISOU 239 CD PRO A 429 1529 1677 1051 -98 75 -194 C ATOM 240 N TYR A 430 63.202 66.263 135.147 1.00 11.14 N ANISOU 240 N TYR A 430 1412 1641 1180 -74 171 -147 N ATOM 241 CA TYR A 430 63.620 67.604 135.550 1.00 11.13 C ANISOU 241 CA TYR A 430 1364 1620 1246 -85 212 -115 C ATOM 242 C TYR A 430 64.705 67.526 136.606 1.00 11.54 C ANISOU 242 C TYR A 430 1384 1618 1381 -69 174 -178 C ATOM 243 O TYR A 430 64.417 67.218 137.752 1.00 10.91 O ANISOU 243 O TYR A 430 1342 1502 1303 -62 108 -194 O ATOM 244 CB TYR A 430 62.405 68.381 136.067 1.00 10.70 C ANISOU 244 CB TYR A 430 1333 1558 1174 -108 205 -53 C ATOM 245 CG TYR A 430 61.303 68.382 135.023 1.00 10.76 C ANISOU 245 CG TYR A 430 1365 1625 1096 -110 225 -6 C ATOM 246 CD1 TYR A 430 61.343 69.263 133.949 1.00 15.28 C ANISOU 246 CD1 TYR A 430 1922 2238 1646 -97 296 48 C ATOM 247 CD2 TYR A 430 60.250 67.492 135.100 1.00 10.56 C ANISOU 247 CD2 TYR A 430 1380 1615 1018 -120 173 -19 C ATOM 248 CE1 TYR A 430 60.353 69.253 132.979 1.00 15.03 C ANISOU 248 CE1 TYR A 430 1916 2271 1523 -79 299 84 C ATOM 249 CE2 TYR A 430 59.248 67.474 134.130 1.00 10.77 C ANISOU 249 CE2 TYR A 430 1416 1705 973 -114 176 2 C ATOM 250 CZ TYR A 430 59.311 68.358 133.075 1.00 15.77 C ANISOU 250 CZ TYR A 430 2036 2388 1568 -86 231 51 C ATOM 251 OH TYR A 430 58.326 68.358 132.109 1.00 18.40 O ANISOU 251 OH TYR A 430 2382 2792 1817 -61 220 67 O ATOM 252 N HIS A 431 65.942 67.830 136.216 1.00 11.76 N ANISOU 252 N HIS A 431 1342 1648 1479 -60 218 -216 N ATOM 253 CA HIS A 431 67.094 67.604 137.088 1.00 12.06 C ANISOU 253 CA HIS A 431 1334 1647 1600 -32 168 -302 C ATOM 254 C HIS A 431 67.601 68.881 137.744 1.00 12.28 C ANISOU 254 C HIS A 431 1291 1639 1734 -49 186 -316 C ATOM 255 O HIS A 431 67.780 69.907 137.084 1.00 12.61 O ANISOU 255 O HIS A 431 1282 1683 1828 -84 279 -277 O ATOM 256 CB HIS A 431 68.274 67.026 136.300 1.00 12.73 C ANISOU 256 CB HIS A 431 1363 1755 1718 -7 199 -366 C ATOM 257 CG HIS A 431 67.956 65.800 135.504 1.00 18.03 C ANISOU 257 CG HIS A 431 2091 2461 2298 15 188 -371 C ATOM 258 ND1 HIS A 431 66.730 65.173 135.531 1.00 20.20 N ANISOU 258 ND1 HIS A 431 2454 2738 2482 7 147 -332 N ATOM 259 CD2 HIS A 431 68.723 65.081 134.645 1.00 19.32 C ANISOU 259 CD2 HIS A 431 2227 2656 2457 44 215 -424 C ATOM 260 CE1 HIS A 431 66.749 64.127 134.722 1.00 15.09 C ANISOU 260 CE1 HIS A 431 1833 2118 1783 28 143 -363 C ATOM 261 NE2 HIS A 431 67.951 64.047 134.178 1.00 21.10 N ANISOU 261 NE2 HIS A 431 2530 2900 2588 55 182 -418 N ATOM 262 N CYS A 432 67.910 68.797 139.029 1.00 12.26 N ANISOU 262 N CYS A 432 1289 1601 1770 -19 98 -377 N ATOM 263 CA CYS A 432 68.569 69.898 139.712 1.00 12.68 C ANISOU 263 CA CYS A 432 1260 1618 1939 -27 96 -426 C ATOM 264 C CYS A 432 70.013 69.994 139.252 1.00 15.35 C ANISOU 264 C CYS A 432 1482 1956 2394 -24 133 -509 C ATOM 265 O CYS A 432 70.712 68.978 139.202 1.00 13.86 O ANISOU 265 O CYS A 432 1284 1784 2198 22 89 -576 O ATOM 266 CB CYS A 432 68.556 69.665 141.215 1.00 12.60 C ANISOU 266 CB CYS A 432 1286 1583 1920 25 -23 -485 C ATOM 267 SG CYS A 432 69.302 71.046 142.122 1.00 13.25 S ANISOU 267 SG CYS A 432 1264 1624 2147 22 -45 -571 S ATOM 268 N ASP A 433 70.470 71.197 138.907 1.00 14.12 N ANISOU 268 N ASP A 433 1236 1775 2354 -73 222 -508 N ATOM 269 CA ASP A 433 71.869 71.358 138.524 1.00 15.15 C ANISOU 269 CA ASP A 433 1238 1900 2620 -81 273 -595 C ATOM 270 C ASP A 433 72.688 72.098 139.584 1.00 16.39 C ANISOU 270 C ASP A 433 1289 2008 2929 -77 216 -712 C ATOM 271 O ASP A 433 73.763 72.621 139.286 1.00 16.87 O ANISOU 271 O ASP A 433 1218 2048 3144 -108 280 -783 O ATOM 272 CB ASP A 433 72.004 72.038 137.154 1.00 15.67 C ANISOU 272 CB ASP A 433 1264 1969 2720 -140 442 -517 C ATOM 273 CG ASP A 433 73.312 71.695 136.468 1.00 38.39 C ANISOU 273 CG ASP A 433 4035 4866 5686 -138 510 -591 C ATOM 274 OD1 ASP A 433 73.970 70.717 136.893 1.00 44.40 O ANISOU 274 OD1 ASP A 433 4769 5650 6453 -82 416 -695 O ATOM 275 OD2 ASP A 433 73.690 72.398 135.510 1.00 42.16 O ANISOU 275 OD2 ASP A 433 4457 5335 6228 -187 663 -545 O ATOM 276 N TRP A 434 72.182 72.134 140.815 1.00 15.40 N ANISOU 276 N TRP A 434 1219 1869 2765 -39 97 -738 N ATOM 277 CA TRP A 434 72.921 72.716 141.935 1.00 16.13 C ANISOU 277 CA TRP A 434 1222 1927 2981 -15 12 -870 C ATOM 278 C TRP A 434 74.143 71.845 142.191 1.00 16.90 C ANISOU 278 C TRP A 434 1244 2049 3128 53 -71 -1006 C ATOM 279 O TRP A 434 74.046 70.612 142.195 1.00 16.53 O ANISOU 279 O TRP A 434 1279 2038 2965 116 -132 -996 O ATOM 280 CB TRP A 434 72.026 72.766 143.177 1.00 15.53 C ANISOU 280 CB TRP A 434 1248 1845 2809 32 -100 -861 C ATOM 281 CG TRP A 434 72.492 73.664 144.291 1.00 16.27 C ANISOU 281 CG TRP A 434 1264 1902 3014 52 -177 -981 C ATOM 282 CD1 TRP A 434 73.267 73.319 145.361 1.00 17.93 C ANISOU 282 CD1 TRP A 434 1437 2124 3250 139 -320 -1126 C ATOM 283 CD2 TRP A 434 72.174 75.053 144.459 1.00 16.48 C ANISOU 283 CD2 TRP A 434 1248 1875 3137 -8 -126 -974 C ATOM 284 NE1 TRP A 434 73.454 74.413 146.184 1.00 17.63 N ANISOU 284 NE1 TRP A 434 1330 2050 3318 137 -364 -1220 N ATOM 285 CE2 TRP A 434 72.798 75.487 145.647 1.00 17.32 C ANISOU 285 CE2 TRP A 434 1285 1965 3332 42 -243 -1129 C ATOM 286 CE3 TRP A 434 71.435 75.972 143.710 1.00 16.15 C ANISOU 286 CE3 TRP A 434 1223 1797 3117 -90 3 -855 C ATOM 287 CZ2 TRP A 434 72.691 76.803 146.106 1.00 17.82 C ANISOU 287 CZ2 TRP A 434 1291 1969 3512 4 -232 -1174 C ATOM 288 CZ3 TRP A 434 71.325 77.275 144.173 1.00 16.63 C ANISOU 288 CZ3 TRP A 434 1234 1793 3293 -124 18 -888 C ATOM 289 CH2 TRP A 434 71.959 77.680 145.350 1.00 17.45 C ANISOU 289 CH2 TRP A 434 1264 1875 3493 -83 -96 -1050 C ATOM 290 N ASP A 435 75.294 72.479 142.387 1.00 19.13 N ANISOU 290 N ASP A 435 1368 2307 3594 41 -71 -1137 N ATOM 291 CA ASP A 435 76.551 71.750 142.524 1.00 22.39 C ANISOU 291 CA ASP A 435 1680 2747 4080 105 -141 -1281 C ATOM 292 C ASP A 435 76.447 70.673 143.606 1.00 21.19 C ANISOU 292 C ASP A 435 1628 2625 3797 232 -323 -1332 C ATOM 293 O ASP A 435 76.089 70.968 144.746 1.00 22.08 O ANISOU 293 O ASP A 435 1790 2727 3872 279 -430 -1364 O ATOM 294 CB ASP A 435 77.701 72.723 142.819 1.00 26.98 C ANISOU 294 CB ASP A 435 2064 3292 4895 74 -136 -1437 C ATOM 295 CG ASP A 435 79.072 72.091 142.614 1.00 36.30 C ANISOU 295 CG ASP A 435 3171 4487 6135 113 -160 -1553 C ATOM 296 OD1 ASP A 435 79.150 71.015 141.975 1.00 34.28 O ANISOU 296 OD1 ASP A 435 2935 4283 5807 150 -147 -1526 O ATOM 297 OD2 ASP A 435 80.074 72.679 143.077 1.00 45.00 O ANISOU 297 OD2 ASP A 435 4195 5545 7360 110 -188 -1678 O ATOM 298 N GLY A 436 76.694 69.423 143.212 1.00 21.34 N ANISOU 298 N GLY A 436 1693 2679 3736 290 -348 -1327 N ATOM 299 CA GLY A 436 76.717 68.301 144.136 1.00 24.97 C ANISOU 299 CA GLY A 436 2252 3156 4080 418 -507 -1369 C ATOM 300 C GLY A 436 75.378 67.736 144.588 1.00 26.94 C ANISOU 300 C GLY A 436 2705 3398 4134 442 -540 -1236 C ATOM 301 O GLY A 436 75.345 66.848 145.438 1.00 27.31 O ANISOU 301 O GLY A 436 2851 3445 4078 551 -662 -1256 O ATOM 302 N CYS A 437 74.272 68.226 144.032 1.00 18.14 N ANISOU 302 N CYS A 437 1653 2272 2966 347 -431 -1099 N ATOM 303 CA CYS A 437 72.955 67.832 144.540 1.00 16.35 C ANISOU 303 CA CYS A 437 1598 2038 2578 360 -455 -985 C ATOM 304 C CYS A 437 72.417 66.471 144.040 1.00 22.65 C ANISOU 304 C CYS A 437 2517 2838 3249 379 -445 -903 C ATOM 305 O CYS A 437 72.233 65.541 144.830 1.00 34.58 O ANISOU 305 O CYS A 437 4140 4336 4664 463 -536 -900 O ATOM 306 CB CYS A 437 71.919 68.933 144.291 1.00 14.96 C ANISOU 306 CB CYS A 437 1436 1848 2399 263 -361 -885 C ATOM 307 SG CYS A 437 70.298 68.458 144.895 1.00 14.47 S ANISOU 307 SG CYS A 437 1560 1781 2156 273 -379 -757 S ATOM 308 N GLY A 438 72.126 66.363 142.751 1.00 18.90 N ANISOU 308 N GLY A 438 2030 2379 2774 305 -334 -836 N ATOM 309 CA GLY A 438 71.646 65.091 142.214 1.00 23.28 C ANISOU 309 CA GLY A 438 2685 2934 3225 320 -327 -779 C ATOM 310 C GLY A 438 70.145 64.811 142.224 1.00 20.89 C ANISOU 310 C GLY A 438 2513 2619 2804 278 -299 -657 C ATOM 311 O GLY A 438 69.694 63.825 141.630 1.00 15.80 O ANISOU 311 O GLY A 438 1937 1971 2095 273 -281 -617 O ATOM 312 N TRP A 439 69.358 65.654 142.884 1.00 14.31 N ANISOU 312 N TRP A 439 1709 1778 1950 249 -295 -608 N ATOM 313 CA TRP A 439 67.905 65.452 142.932 1.00 12.40 C ANISOU 313 CA TRP A 439 1573 1527 1609 207 -264 -502 C ATOM 314 C TRP A 439 67.268 65.618 141.556 1.00 12.26 C ANISOU 314 C TRP A 439 1535 1541 1582 128 -164 -436 C ATOM 315 O TRP A 439 67.741 66.414 140.739 1.00 12.83 O ANISOU 315 O TRP A 439 1515 1638 1721 92 -100 -445 O ATOM 316 CB TRP A 439 67.250 66.430 143.906 1.00 12.16 C ANISOU 316 CB TRP A 439 1564 1490 1568 198 -275 -474 C ATOM 317 CG TRP A 439 67.254 65.972 145.356 1.00 20.95 C ANISOU 317 CG TRP A 439 2765 2577 2617 283 -369 -497 C ATOM 318 CD1 TRP A 439 68.266 66.107 146.266 1.00 30.39 C ANISOU 318 CD1 TRP A 439 3932 3768 3845 370 -462 -595 C ATOM 319 CD2 TRP A 439 66.177 65.333 146.051 1.00 19.04 C ANISOU 319 CD2 TRP A 439 2656 2311 2266 296 -372 -422 C ATOM 320 NE1 TRP A 439 67.887 65.579 147.483 1.00 28.12 N ANISOU 320 NE1 TRP A 439 3769 3461 3456 448 -527 -577 N ATOM 321 CE2 TRP A 439 66.609 65.096 147.375 1.00 29.58 C ANISOU 321 CE2 TRP A 439 4056 3629 3555 399 -463 -465 C ATOM 322 CE3 TRP A 439 64.897 64.912 145.675 1.00 26.20 C ANISOU 322 CE3 TRP A 439 3631 3210 3113 232 -305 -327 C ATOM 323 CZ2 TRP A 439 65.799 64.470 148.327 1.00 34.99 C ANISOU 323 CZ2 TRP A 439 4883 4285 4128 438 -472 -400 C ATOM 324 CZ3 TRP A 439 64.096 64.291 146.618 1.00 33.27 C ANISOU 324 CZ3 TRP A 439 4650 4073 3920 258 -312 -272 C ATOM 325 CH2 TRP A 439 64.550 64.076 147.930 1.00 36.36 C ANISOU 325 CH2 TRP A 439 5114 4442 4257 360 -387 -301 C ATOM 326 N LYS A 440 66.202 64.855 141.314 1.00 11.56 N ANISOU 326 N LYS A 440 1534 1448 1411 105 -151 -373 N ATOM 327 CA LYS A 440 65.420 64.929 140.077 1.00 11.23 C ANISOU 327 CA LYS A 440 1484 1442 1340 43 -77 -318 C ATOM 328 C LYS A 440 63.937 64.806 140.394 1.00 12.53 C ANISOU 328 C LYS A 440 1724 1599 1439 6 -70 -247 C ATOM 329 O LYS A 440 63.562 64.256 141.441 1.00 10.82 O ANISOU 329 O LYS A 440 1582 1340 1188 28 -112 -238 O ATOM 330 CB LYS A 440 65.814 63.799 139.124 1.00 11.54 C ANISOU 330 CB LYS A 440 1530 1492 1362 59 -74 -352 C ATOM 331 CG LYS A 440 67.250 63.855 138.657 1.00 17.94 C ANISOU 331 CG LYS A 440 2256 2320 2240 93 -66 -426 C ATOM 332 CD LYS A 440 67.566 62.592 137.893 1.00 20.12 C ANISOU 332 CD LYS A 440 2554 2600 2489 122 -75 -468 C ATOM 333 CE LYS A 440 68.964 62.598 137.319 1.00 31.17 C ANISOU 333 CE LYS A 440 3862 4025 3955 157 -54 -546 C ATOM 334 NZ LYS A 440 69.227 61.282 136.670 1.00 36.74 N ANISOU 334 NZ LYS A 440 4599 4731 4630 195 -73 -595 N ATOM 335 N PHE A 441 63.097 65.310 139.493 1.00 10.51 N ANISOU 335 N PHE A 441 1447 1384 1161 -43 -13 -198 N ATOM 336 CA PHE A 441 61.662 65.405 139.766 1.00 10.18 C ANISOU 336 CA PHE A 441 1448 1344 1074 -81 -3 -141 C ATOM 337 C PHE A 441 60.833 65.090 138.537 1.00 10.45 C ANISOU 337 C PHE A 441 1477 1424 1069 -115 28 -121 C ATOM 338 O PHE A 441 61.297 65.271 137.410 1.00 10.36 O ANISOU 338 O PHE A 441 1424 1456 1055 -109 57 -132 O ATOM 339 CB PHE A 441 61.322 66.812 140.240 1.00 9.93 C ANISOU 339 CB PHE A 441 1384 1322 1066 -94 20 -104 C ATOM 340 CG PHE A 441 62.103 67.223 141.436 1.00 10.06 C ANISOU 340 CG PHE A 441 1397 1302 1121 -56 -20 -140 C ATOM 341 CD1 PHE A 441 63.350 67.817 141.293 1.00 11.06 C ANISOU 341 CD1 PHE A 441 1454 1427 1320 -35 -21 -189 C ATOM 342 CD2 PHE A 441 61.622 66.953 142.705 1.00 10.06 C ANISOU 342 CD2 PHE A 441 1464 1271 1086 -35 -56 -133 C ATOM 343 CE1 PHE A 441 64.102 68.172 142.409 1.00 10.62 C ANISOU 343 CE1 PHE A 441 1385 1343 1308 7 -73 -245 C ATOM 344 CE2 PHE A 441 62.364 67.311 143.828 1.00 10.33 C ANISOU 344 CE2 PHE A 441 1502 1282 1141 18 -106 -178 C ATOM 345 CZ PHE A 441 63.599 67.914 143.674 1.00 11.32 C ANISOU 345 CZ PHE A 441 1548 1409 1344 40 -124 -241 C ATOM 346 N ALA A 442 59.606 64.632 138.779 1.00 10.10 N ANISOU 346 N ALA A 442 1471 1371 994 -147 24 -98 N ATOM 347 CA ALA A 442 58.661 64.273 137.721 1.00 11.95 C ANISOU 347 CA ALA A 442 1695 1650 1196 -177 36 -99 C ATOM 348 C ALA A 442 58.002 65.506 137.108 1.00 11.27 C ANISOU 348 C ALA A 442 1562 1628 1093 -184 67 -55 C ATOM 349 O ALA A 442 57.562 65.469 135.957 1.00 13.77 O ANISOU 349 O ALA A 442 1858 2003 1371 -182 73 -60 O ATOM 350 CB ALA A 442 57.594 63.322 138.268 1.00 12.03 C ANISOU 350 CB ALA A 442 1749 1619 1204 -215 24 -102 C ATOM 351 N ARG A 443 57.933 66.596 137.874 1.00 9.81 N ANISOU 351 N ARG A 443 1366 1431 931 -183 82 -15 N ATOM 352 CA ARG A 443 57.310 67.836 137.390 1.00 9.77 C ANISOU 352 CA ARG A 443 1324 1471 916 -182 112 33 C ATOM 353 C ARG A 443 58.250 69.044 137.447 1.00 11.00 C ANISOU 353 C ARG A 443 1451 1614 1116 -162 145 57 C ATOM 354 O ARG A 443 59.083 69.160 138.357 1.00 9.65 O ANISOU 354 O ARG A 443 1279 1394 993 -155 133 33 O ATOM 355 CB ARG A 443 56.031 68.134 138.186 1.00 9.62 C ANISOU 355 CB ARG A 443 1309 1448 896 -205 107 57 C ATOM 356 CG ARG A 443 54.896 67.155 137.900 1.00 16.64 C ANISOU 356 CG ARG A 443 2203 2357 1761 -236 91 33 C ATOM 357 CD ARG A 443 53.734 67.307 138.874 1.00 11.08 C ANISOU 357 CD ARG A 443 1498 1640 1071 -265 100 49 C ATOM 358 NE ARG A 443 53.341 68.700 139.132 1.00 10.91 N ANISOU 358 NE ARG A 443 1448 1640 1056 -246 117 90 N ATOM 359 CZ ARG A 443 52.080 69.129 139.210 1.00 16.00 C ANISOU 359 CZ ARG A 443 2060 2319 1702 -256 124 101 C ATOM 360 NH1 ARG A 443 51.823 70.405 139.485 1.00 9.74 N ANISOU 360 NH1 ARG A 443 1247 1536 919 -230 137 135 N ATOM 361 NH2 ARG A 443 51.066 68.293 139.014 1.00 11.38 N ANISOU 361 NH2 ARG A 443 1454 1754 1117 -292 117 68 N ATOM 362 N SER A 444 58.111 69.949 136.481 1.00 11.76 N ANISOU 362 N SER A 444 1523 1748 1198 -148 186 101 N ATOM 363 CA SER A 444 58.974 71.124 136.422 1.00 12.03 C ANISOU 363 CA SER A 444 1527 1755 1289 -138 237 129 C ATOM 364 C SER A 444 58.754 72.024 137.633 1.00 10.94 C ANISOU 364 C SER A 444 1380 1567 1208 -147 228 137 C ATOM 365 O SER A 444 59.708 72.613 138.154 1.00 10.79 O ANISOU 365 O SER A 444 1333 1500 1267 -147 241 115 O ATOM 366 CB SER A 444 58.749 71.902 135.126 1.00 15.35 C ANISOU 366 CB SER A 444 1943 2218 1671 -115 294 192 C ATOM 367 OG SER A 444 57.401 72.308 135.001 1.00 14.52 O ANISOU 367 OG SER A 444 1850 2147 1519 -103 276 231 O ATOM 368 N ASP A 445 57.508 72.121 138.103 1.00 12.21 N ANISOU 368 N ASP A 445 1558 1742 1340 -152 204 155 N ATOM 369 CA ASP A 445 57.231 72.984 139.248 1.00 12.65 C ANISOU 369 CA ASP A 445 1609 1758 1441 -151 197 157 C ATOM 370 C ASP A 445 57.784 72.378 140.543 1.00 12.22 C ANISOU 370 C ASP A 445 1574 1664 1404 -152 155 100 C ATOM 371 O ASP A 445 58.081 73.105 141.492 1.00 10.80 O ANISOU 371 O ASP A 445 1386 1447 1272 -140 144 79 O ATOM 372 CB ASP A 445 55.732 73.293 139.386 1.00 18.70 C ANISOU 372 CB ASP A 445 2380 2555 2170 -150 192 188 C ATOM 373 CG ASP A 445 54.888 72.050 139.612 1.00 22.79 C ANISOU 373 CG ASP A 445 2919 3102 2637 -172 162 165 C ATOM 374 OD1 ASP A 445 55.095 71.041 138.919 1.00 27.73 O ANISOU 374 OD1 ASP A 445 3555 3750 3232 -181 151 145 O ATOM 375 OD2 ASP A 445 53.988 72.089 140.474 1.00 25.06 O ANISOU 375 OD2 ASP A 445 3212 3388 2920 -181 156 163 O ATOM 376 N GLU A 446 57.952 71.057 140.575 1.00 9.31 N ANISOU 376 N GLU A 446 1238 1302 998 -156 127 71 N ATOM 377 CA GLU A 446 58.608 70.419 141.721 1.00 9.33 C ANISOU 377 CA GLU A 446 1273 1264 1007 -138 84 23 C ATOM 378 C GLU A 446 60.088 70.798 141.781 1.00 9.56 C ANISOU 378 C GLU A 446 1263 1266 1103 -115 73 -24 C ATOM 379 O GLU A 446 60.656 70.956 142.870 1.00 9.71 O ANISOU 379 O GLU A 446 1288 1254 1149 -85 31 -71 O ATOM 380 CB GLU A 446 58.417 68.891 141.697 1.00 9.35 C ANISOU 380 CB GLU A 446 1328 1265 960 -144 62 11 C ATOM 381 CG GLU A 446 56.976 68.433 141.941 1.00 9.31 C ANISOU 381 CG GLU A 446 1355 1272 912 -174 75 42 C ATOM 382 CD GLU A 446 56.788 66.925 141.764 1.00 16.31 C ANISOU 382 CD GLU A 446 2287 2140 1771 -192 65 27 C ATOM 383 OE1 GLU A 446 55.845 66.352 142.363 1.00 13.85 O ANISOU 383 OE1 GLU A 446 2013 1810 1440 -217 80 42 O ATOM 384 OE2 GLU A 446 57.564 66.311 140.999 1.00 11.97 O ANISOU 384 OE2 GLU A 446 1732 1591 1226 -183 50 -2 O ATOM 385 N LEU A 447 60.716 70.944 140.613 1.00 9.73 N ANISOU 385 N LEU A 447 1241 1303 1153 -125 111 -20 N ATOM 386 CA LEU A 447 62.105 71.376 140.552 1.00 10.11 C ANISOU 386 CA LEU A 447 1231 1325 1286 -114 119 -68 C ATOM 387 C LEU A 447 62.191 72.839 140.995 1.00 11.93 C ANISOU 387 C LEU A 447 1417 1521 1596 -121 142 -66 C ATOM 388 O LEU A 447 63.086 73.221 141.758 1.00 10.64 O ANISOU 388 O LEU A 447 1213 1320 1509 -106 111 -135 O ATOM 389 CB LEU A 447 62.678 71.172 139.137 1.00 10.39 C ANISOU 389 CB LEU A 447 1234 1389 1325 -124 176 -55 C ATOM 390 CG LEU A 447 64.109 71.663 138.906 1.00 11.56 C ANISOU 390 CG LEU A 447 1305 1512 1577 -124 211 -102 C ATOM 391 CD1 LEU A 447 65.064 70.982 139.873 1.00 11.16 C ANISOU 391 CD1 LEU A 447 1239 1437 1564 -91 134 -199 C ATOM 392 CD2 LEU A 447 64.558 71.445 137.460 1.00 11.36 C ANISOU 392 CD2 LEU A 447 1257 1522 1535 -131 287 -78 C ATOM 393 N THR A 448 61.233 73.648 140.557 1.00 10.67 N ANISOU 393 N THR A 448 1263 1370 1420 -138 187 4 N ATOM 394 CA THR A 448 61.184 75.051 140.978 1.00 11.74 C ANISOU 394 CA THR A 448 1366 1461 1634 -143 210 10 C ATOM 395 C THR A 448 61.113 75.188 142.506 1.00 10.39 C ANISOU 395 C THR A 448 1207 1265 1476 -119 141 -53 C ATOM 396 O THR A 448 61.884 75.941 143.104 1.00 10.82 O ANISOU 396 O THR A 448 1214 1273 1625 -113 127 -116 O ATOM 397 CB THR A 448 59.991 75.783 140.343 1.00 11.19 C ANISOU 397 CB THR A 448 1316 1409 1528 -148 256 97 C ATOM 398 OG1 THR A 448 60.219 75.890 138.932 1.00 11.53 O ANISOU 398 OG1 THR A 448 1351 1471 1561 -155 325 155 O ATOM 399 CG2 THR A 448 59.859 77.184 140.927 1.00 12.55 C ANISOU 399 CG2 THR A 448 1463 1523 1783 -146 272 97 C ATOM 400 N ARG A 449 60.202 74.447 143.130 1.00 10.00 N ANISOU 400 N ARG A 449 1221 1246 1332 -104 101 -42 N ATOM 401 CA ARG A 449 60.107 74.428 144.592 1.00 10.07 C ANISOU 401 CA ARG A 449 1261 1242 1323 -68 42 -94 C ATOM 402 C ARG A 449 61.426 74.008 145.239 1.00 10.44 C ANISOU 402 C ARG A 449 1294 1268 1406 -32 -20 -184 C ATOM 403 O ARG A 449 61.859 74.605 146.228 1.00 10.84 O ANISOU 403 O ARG A 449 1328 1295 1498 3 -67 -255 O ATOM 404 CB ARG A 449 59.000 73.478 145.031 1.00 9.76 C ANISOU 404 CB ARG A 449 1297 1235 1175 -63 32 -57 C ATOM 405 CG ARG A 449 57.595 73.967 144.725 1.00 9.55 C ANISOU 405 CG ARG A 449 1274 1235 1120 -87 76 7 C ATOM 406 CD ARG A 449 56.606 72.852 145.019 1.00 9.40 C ANISOU 406 CD ARG A 449 1314 1244 1015 -97 78 35 C ATOM 407 NE ARG A 449 55.219 73.302 145.060 1.00 9.37 N ANISOU 407 NE ARG A 449 1303 1268 990 -111 112 74 N ATOM 408 CZ ARG A 449 54.209 72.516 145.434 1.00 9.88 C ANISOU 408 CZ ARG A 449 1402 1352 999 -127 130 94 C ATOM 409 NH1 ARG A 449 52.963 72.985 145.451 1.00 9.50 N ANISOU 409 NH1 ARG A 449 1330 1334 945 -139 162 118 N ATOM 410 NH2 ARG A 449 54.449 71.254 145.775 1.00 9.51 N ANISOU 410 NH2 ARG A 449 1411 1289 911 -132 120 87 N ATOM 411 N HIS A 450 62.064 72.987 144.673 1.00 10.42 N ANISOU 411 N HIS A 450 1295 1277 1388 -32 -28 -193 N ATOM 412 CA HIS A 450 63.317 72.459 145.209 1.00 10.87 C ANISOU 412 CA HIS A 450 1335 1320 1474 14 -95 -282 C ATOM 413 C HIS A 450 64.434 73.507 145.163 1.00 14.52 C ANISOU 413 C HIS A 450 1691 1751 2075 8 -94 -360 C ATOM 414 O HIS A 450 65.186 73.688 146.129 1.00 12.00 O ANISOU 414 O HIS A 450 1345 1415 1798 57 -168 -458 O ATOM 415 CB HIS A 450 63.709 71.203 144.423 1.00 10.77 C ANISOU 415 CB HIS A 450 1340 1326 1428 12 -91 -272 C ATOM 416 CG HIS A 450 65.082 70.689 144.729 1.00 11.33 C ANISOU 416 CG HIS A 450 1376 1384 1543 62 -154 -367 C ATOM 417 ND1 HIS A 450 65.375 70.001 145.886 1.00 11.65 N ANISOU 417 ND1 HIS A 450 1478 1418 1532 138 -244 -418 N ATOM 418 CD2 HIS A 450 66.237 70.761 144.028 1.00 11.74 C ANISOU 418 CD2 HIS A 450 1339 1435 1687 55 -138 -421 C ATOM 419 CE1 HIS A 450 66.654 69.662 145.881 1.00 12.23 C ANISOU 419 CE1 HIS A 450 1495 1487 1663 181 -295 -507 C ATOM 420 NE2 HIS A 450 67.200 70.120 144.768 1.00 12.28 N ANISOU 420 NE2 HIS A 450 1403 1497 1765 126 -228 -515 N ATOM 421 N TYR A 451 64.528 74.214 144.042 1.00 11.49 N ANISOU 421 N TYR A 451 1247 1355 1764 -48 -7 -317 N ATOM 422 CA TYR A 451 65.535 75.253 143.889 1.00 12.20 C ANISOU 422 CA TYR A 451 1231 1399 2006 -71 23 -379 C ATOM 423 C TYR A 451 65.321 76.360 144.913 1.00 13.47 C ANISOU 423 C TYR A 451 1373 1519 2225 -59 -12 -428 C ATOM 424 O TYR A 451 66.279 76.997 145.345 1.00 13.28 O ANISOU 424 O TYR A 451 1263 1454 2327 -56 -38 -532 O ATOM 425 CB TYR A 451 65.485 75.842 142.479 1.00 12.29 C ANISOU 425 CB TYR A 451 1207 1399 2066 -131 144 -295 C ATOM 426 CG TYR A 451 66.409 75.171 141.477 1.00 12.58 C ANISOU 426 CG TYR A 451 1202 1455 2124 -143 189 -303 C ATOM 427 CD1 TYR A 451 67.753 74.949 141.768 1.00 13.25 C ANISOU 427 CD1 TYR A 451 1202 1525 2307 -130 156 -417 C ATOM 428 CD2 TYR A 451 65.937 74.776 140.231 1.00 12.93 C ANISOU 428 CD2 TYR A 451 1285 1538 2089 -161 263 -208 C ATOM 429 CE1 TYR A 451 68.600 74.345 140.832 1.00 13.61 C ANISOU 429 CE1 TYR A 451 1202 1593 2376 -138 206 -429 C ATOM 430 CE2 TYR A 451 66.766 74.174 139.298 1.00 12.67 C ANISOU 430 CE2 TYR A 451 1217 1530 2067 -166 310 -219 C ATOM 431 CZ TYR A 451 68.089 73.959 139.594 1.00 13.29 C ANISOU 431 CZ TYR A 451 1212 1592 2247 -157 287 -326 C ATOM 432 OH TYR A 451 68.901 73.363 138.644 1.00 13.73 O ANISOU 432 OH TYR A 451 1227 1676 2314 -159 343 -340 O ATOM 433 N ARG A 452 64.075 76.598 145.306 1.00 13.23 N ANISOU 433 N ARG A 452 1414 1501 2110 -52 -12 -367 N ATOM 434 CA ARG A 452 63.829 77.631 146.310 1.00 13.93 C ANISOU 434 CA ARG A 452 1492 1556 2246 -31 -46 -421 C ATOM 435 C ARG A 452 64.292 77.178 147.690 1.00 12.75 C ANISOU 435 C ARG A 452 1363 1423 2057 44 -163 -532 C ATOM 436 O ARG A 452 64.582 78.011 148.547 1.00 19.18 O ANISOU 436 O ARG A 452 2139 2208 2940 72 -212 -626 O ATOM 437 CB ARG A 452 62.367 78.092 146.287 1.00 15.16 C ANISOU 437 CB ARG A 452 1707 1722 2330 -40 -6 -328 C ATOM 438 CG ARG A 452 62.088 78.910 145.034 1.00 18.92 C ANISOU 438 CG ARG A 452 2152 2167 2871 -95 97 -239 C ATOM 439 CD ARG A 452 60.682 79.465 144.889 1.00 25.70 C ANISOU 439 CD ARG A 452 3055 3035 3673 -94 133 -153 C ATOM 440 NE ARG A 452 60.579 80.116 143.580 1.00 27.19 N ANISOU 440 NE ARG A 452 3224 3197 3911 -129 226 -64 N ATOM 441 CZ ARG A 452 59.448 80.340 142.918 1.00 26.76 C ANISOU 441 CZ ARG A 452 3208 3167 3791 -126 266 34 C ATOM 442 NH1 ARG A 452 59.493 80.920 141.727 1.00 28.75 N ANISOU 442 NH1 ARG A 452 3453 3394 4077 -142 348 115 N ATOM 443 NH2 ARG A 452 58.281 79.982 143.430 1.00 22.74 N ANISOU 443 NH2 ARG A 452 2745 2710 3183 -101 229 49 N ATOM 444 N LYS A 453 64.405 75.866 147.894 1.00 12.50 N ANISOU 444 N LYS A 453 1395 1436 1919 85 -210 -527 N ATOM 445 CA LYS A 453 65.045 75.355 149.111 1.00 17.10 C ANISOU 445 CA LYS A 453 2004 2034 2461 174 -325 -632 C ATOM 446 C LYS A 453 66.532 75.671 149.094 1.00 22.05 C ANISOU 446 C LYS A 453 2512 2636 3231 185 -373 -763 C ATOM 447 O LYS A 453 67.088 76.087 150.105 1.00 19.16 O ANISOU 447 O LYS A 453 2114 2264 2903 246 -465 -887 O ATOM 448 CB LYS A 453 64.845 73.847 149.275 1.00 21.82 C ANISOU 448 CB LYS A 453 2706 2670 2917 218 -355 -585 C ATOM 449 CG LYS A 453 63.416 73.441 149.557 1.00 31.75 C ANISOU 449 CG LYS A 453 4076 3948 4039 215 -316 -478 C ATOM 450 CD LYS A 453 63.287 71.930 149.745 1.00 35.53 C ANISOU 450 CD LYS A 453 4658 4443 4399 253 -337 -434 C ATOM 451 N HIS A 454 67.176 75.473 147.943 1.00 14.25 N ANISOU 451 N HIS A 454 1453 1636 2324 128 -311 -745 N ATOM 452 CA HIS A 454 68.594 75.802 147.790 1.00 14.81 C ANISOU 452 CA HIS A 454 1390 1680 2555 123 -333 -869 C ATOM 453 C HIS A 454 68.872 77.290 148.013 1.00 16.19 C ANISOU 453 C HIS A 454 1463 1795 2895 84 -314 -945 C ATOM 454 O HIS A 454 69.802 77.642 148.736 1.00 18.23 O ANISOU 454 O HIS A 454 1634 2037 3256 122 -399 -1099 O ATOM 455 CB HIS A 454 69.100 75.422 146.392 1.00 14.68 C ANISOU 455 CB HIS A 454 1320 1664 2595 60 -236 -817 C ATOM 456 CG HIS A 454 69.407 73.964 146.219 1.00 15.43 C ANISOU 456 CG HIS A 454 1466 1805 2592 110 -279 -811 C ATOM 457 ND1 HIS A 454 70.335 73.301 146.994 1.00 15.13 N ANISOU 457 ND1 HIS A 454 1408 1785 2555 197 -398 -932 N ATOM 458 CD2 HIS A 454 68.948 73.057 145.323 1.00 13.78 C ANISOU 458 CD2 HIS A 454 1322 1624 2288 89 -223 -708 C ATOM 459 CE1 HIS A 454 70.418 72.042 146.598 1.00 20.05 C ANISOU 459 CE1 HIS A 454 2090 2437 3090 227 -407 -894 C ATOM 460 NE2 HIS A 454 69.582 71.865 145.585 1.00 14.01 N ANISOU 460 NE2 HIS A 454 1375 1678 2270 158 -302 -763 N ATOM 461 N THR A 455 68.074 78.156 147.385 1.00 17.18 N ANISOU 461 N THR A 455 1596 1882 3049 12 -206 -843 N ATOM 462 CA THR A 455 68.355 79.604 147.376 1.00 19.88 C ANISOU 462 CA THR A 455 1841 2143 3571 -40 -160 -897 C ATOM 463 C THR A 455 67.692 80.396 148.502 1.00 23.23 C ANISOU 463 C THR A 455 2299 2549 3978 1 -225 -947 C ATOM 464 O THR A 455 68.112 81.517 148.803 1.00 25.70 O ANISOU 464 O THR A 455 2523 2790 4452 -23 -225 -1042 O ATOM 465 CB THR A 455 67.912 80.272 146.053 1.00 20.03 C ANISOU 465 CB THR A 455 1853 2114 3644 -129 -2 -759 C ATOM 466 OG1 THR A 455 66.478 80.252 145.959 1.00 18.51 O ANISOU 466 OG1 THR A 455 1778 1950 3307 -120 23 -629 O ATOM 467 CG2 THR A 455 68.514 79.562 144.847 1.00 20.73 C ANISOU 467 CG2 THR A 455 1914 2225 3738 -167 78 -703 C ATOM 468 N GLY A 456 66.646 79.837 149.103 1.00 23.73 N ANISOU 468 N GLY A 456 2488 2672 3857 58 -269 -886 N ATOM 469 CA GLY A 456 65.880 80.558 150.109 1.00 25.90 C ANISOU 469 CA GLY A 456 2806 2940 4096 99 -312 -919 C ATOM 470 C GLY A 456 65.081 81.720 149.538 1.00 25.31 C ANISOU 470 C GLY A 456 2722 2802 4092 35 -210 -836 C ATOM 471 O GLY A 456 64.612 82.590 150.276 1.00 25.66 O ANISOU 471 O GLY A 456 2771 2819 4159 60 -236 -885 O ATOM 472 N HIS A 457 64.931 81.739 148.217 1.00 20.42 N ANISOU 472 N HIS A 457 2093 2162 3504 -37 -95 -713 N ATOM 473 CA HIS A 457 64.159 82.777 147.534 1.00 20.87 C ANISOU 473 CA HIS A 457 2155 2160 3614 -85 6 -615 C ATOM 474 C HIS A 457 62.681 82.694 147.917 1.00 27.38 C ANISOU 474 C HIS A 457 3081 3035 4286 -46 -3 -535 C ATOM 475 O HIS A 457 62.072 81.625 147.856 1.00 20.19 O ANISOU 475 O HIS A 457 2247 2205 3221 -25 -16 -468 O ATOM 476 CB HIS A 457 64.316 82.633 146.019 1.00 26.94 C ANISOU 476 CB HIS A 457 2912 2916 4409 -149 124 -493 C ATOM 477 CG HIS A 457 63.685 83.735 145.225 1.00 26.15 C ANISOU 477 CG HIS A 457 2819 2746 4369 -186 231 -388 C ATOM 478 ND1 HIS A 457 63.232 83.554 143.934 1.00 25.20 N ANISOU 478 ND1 HIS A 457 2742 2644 4189 -211 327 -242 N ATOM 479 CD2 HIS A 457 63.439 85.036 145.529 1.00 28.85 C ANISOU 479 CD2 HIS A 457 3139 2998 4825 -194 255 -409 C ATOM 480 CE1 HIS A 457 62.728 84.689 143.481 1.00 24.34 C ANISOU 480 CE1 HIS A 457 2642 2461 4144 -225 404 -169 C ATOM 481 NE2 HIS A 457 62.844 85.604 144.431 1.00 26.47 N ANISOU 481 NE2 HIS A 457 2873 2658 4528 -219 366 -267 N ATOM 482 N ARG A 458 62.110 83.824 148.325 1.00 22.59 N ANISOU 482 N ARG A 458 2472 2377 3736 -37 6 -551 N ATOM 483 CA ARG A 458 60.695 83.874 148.693 1.00 19.77 C ANISOU 483 CA ARG A 458 2195 2065 3254 1 5 -487 C ATOM 484 C ARG A 458 60.022 85.036 147.960 1.00 19.52 C ANISOU 484 C ARG A 458 2154 1963 3300 -27 91 -404 C ATOM 485 O ARG A 458 59.930 86.138 148.489 1.00 21.14 O ANISOU 485 O ARG A 458 2332 2098 3601 -13 83 -466 O ATOM 486 CB ARG A 458 60.526 83.975 150.221 1.00 19.43 C ANISOU 486 CB ARG A 458 2175 2049 3160 74 -91 -605 C ATOM 487 CG ARG A 458 60.952 82.709 150.975 1.00 23.39 C ANISOU 487 CG ARG A 458 2721 2630 3538 125 -175 -658 C ATOM 488 CD ARG A 458 60.674 82.798 152.476 1.00 30.73 C ANISOU 488 CD ARG A 458 3697 3597 4384 214 -261 -758 C ATOM 489 N PRO A 459 59.551 84.778 146.729 1.00 22.28 N ANISOU 489 N PRO A 459 2530 2331 3604 -57 169 -267 N ATOM 490 CA PRO A 459 59.026 85.800 145.815 1.00 28.25 C ANISOU 490 CA PRO A 459 3288 3020 4424 -73 256 -168 C ATOM 491 C PRO A 459 57.686 86.400 146.258 1.00 21.67 C ANISOU 491 C PRO A 459 2495 2197 3540 -24 245 -144 C ATOM 492 O PRO A 459 57.323 87.474 145.772 1.00 27.04 O ANISOU 492 O PRO A 459 3174 2801 4298 -21 300 -90 O ATOM 493 CB PRO A 459 58.817 85.023 144.501 1.00 26.51 C ANISOU 493 CB PRO A 459 3102 2858 4114 -94 314 -42 C ATOM 494 CG PRO A 459 59.516 83.704 144.680 1.00 28.86 C ANISOU 494 CG PRO A 459 3394 3224 4345 -105 266 -89 C ATOM 495 CD PRO A 459 59.483 83.430 146.140 1.00 24.66 C ANISOU 495 CD PRO A 459 2869 2721 3779 -67 171 -201 C ATOM 496 N PHE A 460 56.963 85.711 147.137 1.00 17.60 N ANISOU 496 N PHE A 460 2018 1773 2897 16 182 -177 N ATOM 497 CA PHE A 460 55.624 86.133 147.534 1.00 17.15 C ANISOU 497 CA PHE A 460 1992 1745 2781 63 180 -154 C ATOM 498 C PHE A 460 55.626 86.833 148.886 1.00 16.84 C ANISOU 498 C PHE A 460 1940 1674 2783 106 126 -277 C ATOM 499 O PHE A 460 55.522 86.193 149.939 1.00 21.15 O ANISOU 499 O PHE A 460 2513 2289 3236 140 70 -346 O ATOM 500 CB PHE A 460 54.679 84.932 147.526 1.00 14.59 C ANISOU 500 CB PHE A 460 1712 1540 2291 74 169 -101 C ATOM 501 CG PHE A 460 54.581 84.278 146.179 1.00 18.80 C ANISOU 501 CG PHE A 460 2254 2109 2780 40 211 5 C ATOM 502 CD1 PHE A 460 53.659 84.734 145.250 1.00 16.90 C ANISOU 502 CD1 PHE A 460 2021 1875 2526 55 253 97 C ATOM 503 CD2 PHE A 460 55.451 83.252 145.819 1.00 19.21 C ANISOU 503 CD2 PHE A 460 2308 2186 2805 4 204 5 C ATOM 504 CE1 PHE A 460 53.576 84.155 143.987 1.00 23.95 C ANISOU 504 CE1 PHE A 460 2926 2809 3367 38 283 185 C ATOM 505 CE2 PHE A 460 55.374 82.667 144.556 1.00 21.70 C ANISOU 505 CE2 PHE A 460 2633 2536 3075 -20 241 92 C ATOM 506 CZ PHE A 460 54.435 83.123 143.642 1.00 20.55 C ANISOU 506 CZ PHE A 460 2498 2405 2906 -2 280 180 C ATOM 507 N GLN A 461 55.744 88.157 148.835 1.00 17.01 N ANISOU 507 N GLN A 461 1930 1589 2945 110 149 -303 N ATOM 508 CA GLN A 461 55.861 88.997 150.030 1.00 16.80 C ANISOU 508 CA GLN A 461 1882 1513 2988 152 97 -438 C ATOM 509 C GLN A 461 54.490 89.478 150.490 1.00 19.01 C ANISOU 509 C GLN A 461 2193 1825 3204 214 99 -425 C ATOM 510 O GLN A 461 53.708 90.002 149.689 1.00 15.91 O ANISOU 510 O GLN A 461 1809 1407 2829 219 154 -327 O ATOM 511 CB GLN A 461 56.728 90.216 149.709 1.00 21.60 C ANISOU 511 CB GLN A 461 2432 1968 3808 117 127 -482 C ATOM 512 CG GLN A 461 56.786 91.268 150.812 1.00 28.84 C ANISOU 512 CG GLN A 461 3320 2814 4825 159 77 -628 C ATOM 513 CD GLN A 461 57.670 90.843 151.961 1.00 39.00 C ANISOU 513 CD GLN A 461 4579 4137 6103 180 -22 -794 C ATOM 514 OE1 GLN A 461 58.826 90.464 151.755 1.00 46.55 O ANISOU 514 OE1 GLN A 461 5487 5074 7126 134 -37 -836 O ATOM 515 NE2 GLN A 461 57.129 90.884 153.182 1.00 28.98 N ANISOU 515 NE2 GLN A 461 3340 2929 4743 258 -92 -890 N ATOM 516 N CYS A 462 54.187 89.288 151.773 1.00 16.17 N ANISOU 516 N CYS A 462 1853 1527 2764 269 41 -525 N ATOM 517 CA CYS A 462 52.954 89.835 152.328 1.00 16.28 C ANISOU 517 CA CYS A 462 1886 1570 2731 333 48 -535 C ATOM 518 C CYS A 462 53.066 91.345 152.362 1.00 17.31 C ANISOU 518 C CYS A 462 1981 1569 3029 351 52 -593 C ATOM 519 O CYS A 462 54.105 91.883 152.746 1.00 18.02 O ANISOU 519 O CYS A 462 2033 1571 3241 338 16 -702 O ATOM 520 CB CYS A 462 52.696 89.320 153.742 1.00 16.41 C ANISOU 520 CB CYS A 462 1938 1679 2617 394 -4 -632 C ATOM 521 SG CYS A 462 51.110 89.896 154.383 1.00 16.82 S ANISOU 521 SG CYS A 462 2007 1782 2603 471 23 -640 S ATOM 522 N GLN A 463 52.000 92.026 151.957 1.00 17.52 N ANISOU 522 N GLN A 463 2013 1576 3069 383 95 -527 N ATOM 523 CA GLN A 463 52.003 93.481 151.935 1.00 18.60 C ANISOU 523 CA GLN A 463 2125 1574 3368 408 107 -570 C ATOM 524 C GLN A 463 51.439 94.076 153.217 1.00 19.31 C ANISOU 524 C GLN A 463 2216 1679 3443 488 61 -702 C ATOM 525 O GLN A 463 51.346 95.294 153.344 1.00 20.32 O ANISOU 525 O GLN A 463 2324 1692 3703 520 64 -756 O ATOM 526 CB GLN A 463 51.214 93.979 150.732 1.00 18.65 C ANISOU 526 CB GLN A 463 2145 1538 3402 415 173 -424 C ATOM 527 CG GLN A 463 51.720 93.418 149.423 1.00 20.70 C ANISOU 527 CG GLN A 463 2413 1792 3659 349 223 -292 C ATOM 528 CD GLN A 463 53.136 93.853 149.148 1.00 19.13 C ANISOU 528 CD GLN A 463 2185 1462 3622 283 243 -324 C ATOM 529 OE1 GLN A 463 53.459 95.034 149.264 1.00 19.75 O ANISOU 529 OE1 GLN A 463 2244 1396 3865 286 260 -373 O ATOM 530 NE2 GLN A 463 53.993 92.905 148.796 1.00 18.40 N ANISOU 530 NE2 GLN A 463 2084 1414 3495 221 245 -305 N ATOM 531 N LYS A 464 51.074 93.215 154.164 1.00 19.87 N ANISOU 531 N LYS A 464 2313 1886 3351 525 26 -753 N ATOM 532 CA LYS A 464 50.535 93.677 155.445 1.00 21.34 C ANISOU 532 CA LYS A 464 2508 2107 3494 612 -11 -880 C ATOM 533 C LYS A 464 51.445 93.370 156.651 1.00 28.72 C ANISOU 533 C LYS A 464 3452 3073 4387 639 -91 -1034 C ATOM 534 O LYS A 464 51.183 93.826 157.763 1.00 27.75 O ANISOU 534 O LYS A 464 3340 2973 4231 720 -131 -1162 O ATOM 535 CB LYS A 464 49.115 93.135 155.661 1.00 22.76 C ANISOU 535 CB LYS A 464 2715 2419 3514 657 30 -817 C ATOM 536 CG LYS A 464 48.034 93.923 154.912 1.00 24.24 C ANISOU 536 CG LYS A 464 2880 2569 3762 683 80 -739 C ATOM 537 CD LYS A 464 46.631 93.488 155.300 1.00 27.12 C ANISOU 537 CD LYS A 464 3249 3066 3990 735 116 -715 C ATOM 538 CE LYS A 464 46.371 93.609 156.792 1.00 23.13 C ANISOU 538 CE LYS A 464 2761 2621 3405 810 95 -852 C ATOM 539 NZ LYS A 464 45.893 94.951 157.235 1.00 22.50 N ANISOU 539 NZ LYS A 464 2658 2473 3418 892 84 -947 N ATOM 540 N CYS A 465 52.510 92.603 156.428 1.00 19.62 N ANISOU 540 N CYS A 465 2297 1927 3231 584 -118 -1029 N ATOM 541 CA CYS A 465 53.537 92.384 157.455 1.00 21.78 C ANISOU 541 CA CYS A 465 2571 2217 3488 617 -210 -1184 C ATOM 542 C CYS A 465 54.846 91.990 156.782 1.00 25.44 C ANISOU 542 C CYS A 465 2993 2625 4046 536 -229 -1175 C ATOM 543 O CYS A 465 54.950 92.048 155.557 1.00 24.00 O ANISOU 543 O CYS A 465 2784 2380 3953 458 -163 -1054 O ATOM 544 CB CYS A 465 53.106 91.315 158.465 1.00 19.97 C ANISOU 544 CB CYS A 465 2417 2143 3027 685 -234 -1197 C ATOM 545 SG CYS A 465 53.102 89.619 157.855 1.00 20.32 S ANISOU 545 SG CYS A 465 2511 2287 2922 627 -192 -1038 S ATOM 546 N ASP A 466 55.836 91.574 157.574 1.00 20.33 N ANISOU 546 N ASP A 466 2341 2009 3374 565 -320 -1303 N ATOM 547 CA ASP A 466 57.173 91.308 157.034 1.00 27.05 C ANISOU 547 CA ASP A 466 3133 2804 4342 496 -346 -1329 C ATOM 548 C ASP A 466 57.386 89.898 156.475 1.00 23.45 C ANISOU 548 C ASP A 466 2714 2434 3763 458 -325 -1207 C ATOM 549 O ASP A 466 58.439 89.605 155.902 1.00 27.06 O ANISOU 549 O ASP A 466 3120 2851 4310 399 -333 -1212 O ATOM 550 CB ASP A 466 58.247 91.632 158.077 1.00 36.46 C ANISOU 550 CB ASP A 466 4276 4016 5563 524 -458 -1481 C ATOM 551 CG ASP A 466 58.374 93.121 158.334 1.00 47.86 C ANISOU 551 CG ASP A 466 5649 5369 7166 509 -467 -1556 C ATOM 552 OD1 ASP A 466 58.108 93.905 157.398 1.00 47.06 O ANISOU 552 OD1 ASP A 466 5518 5149 7216 446 -382 -1488 O ATOM 553 OD2 ASP A 466 58.738 93.511 159.467 1.00 53.18 O ANISOU 553 OD2 ASP A 466 6301 6089 7817 565 -558 -1677 O ATOM 554 N ARG A 467 56.393 89.028 156.626 1.00 21.02 N ANISOU 554 N ARG A 467 2489 2237 3259 488 -291 -1102 N ATOM 555 CA ARG A 467 56.534 87.640 156.182 1.00 22.37 C ANISOU 555 CA ARG A 467 2703 2485 3312 457 -273 -996 C ATOM 556 C ARG A 467 56.521 87.477 154.657 1.00 21.82 C ANISOU 556 C ARG A 467 2602 2372 3318 358 -189 -850 C ATOM 557 O ARG A 467 55.880 88.247 153.941 1.00 19.85 O ANISOU 557 O ARG A 467 2330 2067 3145 328 -123 -779 O ATOM 558 CB ARG A 467 55.463 86.765 156.830 1.00 24.44 C ANISOU 558 CB ARG A 467 3060 2866 3359 512 -250 -933 C ATOM 559 CG ARG A 467 55.518 86.805 158.352 1.00 29.28 C ANISOU 559 CG ARG A 467 3725 3537 3863 624 -326 -1067 C ATOM 560 CD ARG A 467 54.855 85.592 158.962 1.00 37.15 C ANISOU 560 CD ARG A 467 4828 4647 4639 671 -299 -994 C ATOM 561 NE ARG A 467 55.394 84.362 158.393 1.00 39.30 N ANISOU 561 NE ARG A 467 5126 4940 4867 624 -295 -910 N ATOM 562 CZ ARG A 467 55.006 83.145 158.750 1.00 38.86 C ANISOU 562 CZ ARG A 467 5163 4960 4642 648 -266 -832 C ATOM 563 NH1 ARG A 467 55.543 82.081 158.169 1.00 36.89 N ANISOU 563 NH1 ARG A 467 4931 4714 4373 605 -267 -763 N ATOM 564 NH2 ARG A 467 54.078 82.993 159.684 1.00 42.46 N ANISOU 564 NH2 ARG A 467 5696 5483 4954 715 -228 -822 N ATOM 565 N ALA A 468 57.266 86.486 154.175 1.00 20.39 N ANISOU 565 N ALA A 468 2421 2216 3111 319 -197 -811 N ATOM 566 CA ALA A 468 57.333 86.173 152.755 1.00 20.96 C ANISOU 566 CA ALA A 468 2471 2263 3228 237 -122 -681 C ATOM 567 C ALA A 468 57.324 84.662 152.562 1.00 16.11 C ANISOU 567 C ALA A 468 1912 1740 2470 229 -123 -608 C ATOM 568 O ALA A 468 57.680 83.909 153.477 1.00 17.28 O ANISOU 568 O ALA A 468 2102 1943 2521 280 -188 -672 O ATOM 569 CB ALA A 468 58.573 86.777 152.122 1.00 23.07 C ANISOU 569 CB ALA A 468 2654 2427 3685 180 -117 -727 C ATOM 570 N PHE A 469 56.950 84.236 151.360 1.00 13.87 N ANISOU 570 N PHE A 469 1630 1465 2174 171 -53 -479 N ATOM 571 CA PHE A 469 56.704 82.823 151.077 1.00 13.62 C ANISOU 571 CA PHE A 469 1652 1513 2011 158 -43 -402 C ATOM 572 C PHE A 469 57.269 82.401 149.734 1.00 12.87 C ANISOU 572 C PHE A 469 1527 1400 1965 93 -2 -329 C ATOM 573 O PHE A 469 57.506 83.236 148.856 1.00 14.89 O ANISOU 573 O PHE A 469 1733 1591 2334 56 44 -298 O ATOM 574 CB PHE A 469 55.193 82.561 151.138 1.00 14.98 C ANISOU 574 CB PHE A 469 1871 1748 2074 169 3 -322 C ATOM 575 CG PHE A 469 54.578 82.966 152.453 1.00 14.43 C ANISOU 575 CG PHE A 469 1832 1703 1946 237 -20 -389 C ATOM 576 CD1 PHE A 469 54.124 84.262 152.655 1.00 17.03 C ANISOU 576 CD1 PHE A 469 2129 1990 2352 261 -11 -426 C ATOM 577 CD2 PHE A 469 54.503 82.060 153.502 1.00 15.45 C ANISOU 577 CD2 PHE A 469 2032 1896 1943 284 -49 -417 C ATOM 578 CE1 PHE A 469 53.588 84.650 153.879 1.00 17.50 C ANISOU 578 CE1 PHE A 469 2217 2078 2354 331 -32 -500 C ATOM 579 CE2 PHE A 469 53.965 82.436 154.733 1.00 14.00 C ANISOU 579 CE2 PHE A 469 1886 1742 1690 357 -62 -480 C ATOM 580 CZ PHE A 469 53.505 83.734 154.922 1.00 17.42 C ANISOU 580 CZ PHE A 469 2278 2142 2198 380 -56 -527 C ATOM 581 N SER A 470 57.480 81.097 149.579 1.00 17.49 N ANISOU 581 N SER A 470 2147 2038 2459 85 -14 -299 N ATOM 582 CA SER A 470 57.973 80.529 148.332 1.00 13.77 C ANISOU 582 CA SER A 470 1656 1565 2010 33 22 -236 C ATOM 583 C SER A 470 56.841 80.238 147.359 1.00 11.17 C ANISOU 583 C SER A 470 1349 1276 1618 5 83 -120 C ATOM 584 O SER A 470 57.087 79.962 146.183 1.00 16.35 O ANISOU 584 O SER A 470 1990 1933 2289 -32 121 -61 O ATOM 585 CB SER A 470 58.713 79.226 148.624 1.00 18.18 C ANISOU 585 CB SER A 470 2245 2159 2503 45 -27 -268 C ATOM 586 OG SER A 470 57.844 78.302 149.253 1.00 19.13 O ANISOU 586 OG SER A 470 2444 2338 2487 72 -36 -237 O ATOM 587 N ARG A 471 55.604 80.296 147.849 1.00 11.08 N ANISOU 587 N ARG A 471 1370 1303 1537 27 91 -97 N ATOM 588 CA ARG A 471 54.436 79.910 147.057 1.00 11.57 C ANISOU 588 CA ARG A 471 1444 1416 1538 7 134 -9 C ATOM 589 C ARG A 471 53.257 80.852 147.265 1.00 16.20 C ANISOU 589 C ARG A 471 2018 2008 2131 34 156 7 C ATOM 590 O ARG A 471 53.020 81.329 148.374 1.00 16.61 O ANISOU 590 O ARG A 471 2079 2053 2181 71 138 -49 O ATOM 591 CB ARG A 471 54.000 78.488 147.439 1.00 11.56 C ANISOU 591 CB ARG A 471 1491 1474 1426 0 125 2 C ATOM 592 CG ARG A 471 54.883 77.387 146.875 1.00 12.89 C ANISOU 592 CG ARG A 471 1673 1646 1578 -27 111 8 C ATOM 593 CD ARG A 471 54.762 76.102 147.689 1.00 12.11 C ANISOU 593 CD ARG A 471 1639 1575 1389 -18 93 -3 C ATOM 594 NE ARG A 471 53.377 75.683 147.915 1.00 10.05 N ANISOU 594 NE ARG A 471 1400 1355 1063 -30 133 37 N ATOM 595 CZ ARG A 471 53.039 74.498 148.417 1.00 11.10 C ANISOU 595 CZ ARG A 471 1590 1504 1124 -38 145 50 C ATOM 596 NH1 ARG A 471 53.981 73.621 148.728 1.00 10.16 N ANISOU 596 NH1 ARG A 471 1521 1363 976 -23 111 31 N ATOM 597 NH2 ARG A 471 51.764 74.182 148.605 1.00 11.22 N ANISOU 597 NH2 ARG A 471 1610 1551 1103 -59 195 81 N ATOM 598 N SER A 472 52.491 81.078 146.203 1.00 14.49 N ANISOU 598 N SER A 472 1782 1809 1913 25 190 79 N ATOM 599 CA SER A 472 51.343 81.978 146.267 1.00 15.14 C ANISOU 599 CA SER A 472 1846 1899 2006 60 207 96 C ATOM 600 C SER A 472 50.245 81.449 147.186 1.00 15.97 C ANISOU 600 C SER A 472 1962 2070 2035 73 208 72 C ATOM 601 O SER A 472 49.521 82.235 147.812 1.00 15.16 O ANISOU 601 O SER A 472 1847 1968 1946 112 215 47 O ATOM 602 CB SER A 472 50.772 82.204 144.864 1.00 17.24 C ANISOU 602 CB SER A 472 2095 2183 2272 62 231 177 C ATOM 603 OG SER A 472 50.047 81.066 144.428 1.00 19.09 O ANISOU 603 OG SER A 472 2330 2501 2424 42 228 201 O ATOM 604 N ASP A 473 50.106 80.125 147.273 1.00 14.86 N ANISOU 604 N ASP A 473 1845 1980 1820 40 211 81 N ATOM 605 CA ASP A 473 49.028 79.568 148.089 1.00 16.90 C ANISOU 605 CA ASP A 473 2113 2294 2013 42 236 69 C ATOM 606 C ASP A 473 49.335 79.717 149.576 1.00 15.69 C ANISOU 606 C ASP A 473 2004 2127 1831 80 228 10 C ATOM 607 O ASP A 473 48.433 79.930 150.386 1.00 11.83 O ANISOU 607 O ASP A 473 1516 1670 1310 107 258 -9 O ATOM 608 CB ASP A 473 48.685 78.117 147.702 1.00 15.10 C ANISOU 608 CB ASP A 473 1897 2110 1729 -9 253 99 C ATOM 609 CG ASP A 473 49.859 77.165 147.835 1.00 16.01 C ANISOU 609 CG ASP A 473 2066 2198 1818 -30 230 92 C ATOM 610 OD1 ASP A 473 51.019 77.589 147.675 1.00 14.51 O ANISOU 610 OD1 ASP A 473 1881 1964 1668 -17 196 75 O ATOM 611 OD2 ASP A 473 49.618 75.963 148.072 1.00 13.49 O ANISOU 611 OD2 ASP A 473 1780 1898 1447 -60 250 103 O ATOM 612 N HIS A 474 50.614 79.629 149.924 1.00 11.30 N ANISOU 612 N HIS A 474 1481 1529 1285 89 187 -27 N ATOM 613 CA HIS A 474 51.049 79.930 151.284 1.00 11.75 C ANISOU 613 CA HIS A 474 1578 1573 1315 143 159 -100 C ATOM 614 C HIS A 474 50.744 81.370 151.665 1.00 12.23 C ANISOU 614 C HIS A 474 1603 1608 1437 188 153 -148 C ATOM 615 O HIS A 474 50.282 81.642 152.785 1.00 12.75 O ANISOU 615 O HIS A 474 1695 1697 1454 239 158 -196 O ATOM 616 CB HIS A 474 52.550 79.694 151.427 1.00 11.71 C ANISOU 616 CB HIS A 474 1591 1526 1331 151 99 -147 C ATOM 617 CG HIS A 474 52.932 78.248 151.432 1.00 12.77 C ANISOU 617 CG HIS A 474 1780 1682 1390 132 94 -119 C ATOM 618 ND1 HIS A 474 54.238 77.822 151.343 1.00 13.96 N ANISOU 618 ND1 HIS A 474 1940 1804 1559 136 41 -153 N ATOM 619 CD2 HIS A 474 52.173 77.127 151.527 1.00 11.37 C ANISOU 619 CD2 HIS A 474 1647 1544 1128 109 138 -64 C ATOM 620 CE1 HIS A 474 54.271 76.497 151.377 1.00 11.75 C ANISOU 620 CE1 HIS A 474 1717 1545 1203 125 48 -117 C ATOM 621 NE2 HIS A 474 53.029 76.055 151.490 1.00 12.43 N ANISOU 621 NE2 HIS A 474 1828 1666 1229 104 110 -61 N ATOM 622 N LEU A 475 51.048 82.293 150.758 1.00 12.18 N ANISOU 622 N LEU A 475 1545 1547 1537 174 147 -136 N ATOM 623 CA LEU A 475 50.752 83.700 150.999 1.00 12.73 C ANISOU 623 CA LEU A 475 1582 1571 1684 215 145 -175 C ATOM 624 C LEU A 475 49.255 83.916 151.161 1.00 13.55 C ANISOU 624 C LEU A 475 1673 1730 1747 241 187 -152 C ATOM 625 O LEU A 475 48.828 84.615 152.067 1.00 15.87 O ANISOU 625 O LEU A 475 1967 2025 2040 294 186 -212 O ATOM 626 CB LEU A 475 51.292 84.578 149.871 1.00 12.77 C ANISOU 626 CB LEU A 475 1545 1496 1811 192 150 -142 C ATOM 627 CG LEU A 475 50.936 86.066 149.988 1.00 13.46 C ANISOU 627 CG LEU A 475 1603 1517 1993 234 156 -171 C ATOM 628 CD1 LEU A 475 51.536 86.651 151.265 1.00 14.06 C ANISOU 628 CD1 LEU A 475 1683 1553 2106 274 111 -295 C ATOM 629 CD2 LEU A 475 51.412 86.835 148.768 1.00 15.58 C ANISOU 629 CD2 LEU A 475 1848 1699 2375 210 182 -111 C ATOM 630 N ALA A 476 48.456 83.302 150.291 1.00 12.60 N ANISOU 630 N ALA A 476 1534 1660 1595 207 221 -76 N ATOM 631 CA ALA A 476 47.005 83.484 150.339 1.00 12.92 C ANISOU 631 CA ALA A 476 1540 1758 1612 229 258 -62 C ATOM 632 C ALA A 476 46.394 83.056 151.681 1.00 15.64 C ANISOU 632 C ALA A 476 1911 2158 1874 252 290 -107 C ATOM 633 O ALA A 476 45.527 83.749 152.234 1.00 13.89 O ANISOU 633 O ALA A 476 1664 1958 1657 300 314 -142 O ATOM 634 CB ALA A 476 46.343 82.743 149.178 1.00 12.60 C ANISOU 634 CB ALA A 476 1466 1767 1553 187 276 9 C ATOM 635 N LEU A 477 46.830 81.915 152.201 1.00 17.05 N ANISOU 635 N LEU A 477 2146 2359 1975 225 298 -104 N ATOM 636 CA LEU A 477 46.299 81.420 153.468 1.00 13.64 C ANISOU 636 CA LEU A 477 1757 1976 1448 251 344 -130 C ATOM 637 C LEU A 477 46.728 82.321 154.610 1.00 22.97 C ANISOU 637 C LEU A 477 2972 3137 2618 330 313 -215 C ATOM 638 O LEU A 477 45.957 82.582 155.540 1.00 20.14 O ANISOU 638 O LEU A 477 2624 2821 2208 378 356 -250 O ATOM 639 CB LEU A 477 46.766 79.992 153.737 1.00 13.73 C ANISOU 639 CB LEU A 477 1839 2000 1377 215 359 -97 C ATOM 640 CG LEU A 477 46.300 78.950 152.729 1.00 22.68 C ANISOU 640 CG LEU A 477 2944 3154 2520 135 393 -28 C ATOM 641 CD1 LEU A 477 46.995 77.619 152.967 1.00 23.64 C ANISOU 641 CD1 LEU A 477 3144 3262 2575 106 395 -1 C ATOM 642 CD2 LEU A 477 44.787 78.798 152.769 1.00 32.21 C ANISOU 642 CD2 LEU A 477 4096 4418 3723 115 472 -13 C ATOM 643 N HIS A 478 47.968 82.789 154.532 1.00 14.06 N ANISOU 643 N HIS A 478 1855 1945 1543 343 240 -258 N ATOM 644 CA HIS A 478 48.512 83.699 155.529 1.00 14.72 C ANISOU 644 CA HIS A 478 1957 1998 1636 417 191 -361 C ATOM 645 C HIS A 478 47.725 84.996 155.557 1.00 16.93 C ANISOU 645 C HIS A 478 2183 2262 1988 457 204 -397 C ATOM 646 O HIS A 478 47.418 85.519 156.634 1.00 16.26 O ANISOU 646 O HIS A 478 2118 2198 1863 528 205 -475 O ATOM 647 CB HIS A 478 49.978 84.014 155.223 1.00 14.54 C ANISOU 647 CB HIS A 478 1926 1899 1697 407 112 -406 C ATOM 648 CG HIS A 478 50.486 85.215 155.953 1.00 15.30 C ANISOU 648 CG HIS A 478 2009 1945 1860 470 55 -525 C ATOM 649 ND1 HIS A 478 50.851 85.178 157.282 1.00 16.46 N ANISOU 649 ND1 HIS A 478 2210 2122 1924 548 10 -625 N ATOM 650 CD2 HIS A 478 50.658 86.496 155.551 1.00 15.60 C ANISOU 650 CD2 HIS A 478 1987 1901 2040 472 37 -565 C ATOM 651 CE1 HIS A 478 51.234 86.385 157.664 1.00 19.08 C ANISOU 651 CE1 HIS A 478 2505 2394 2349 592 -42 -736 C ATOM 652 NE2 HIS A 478 51.132 87.201 156.631 1.00 16.48 N ANISOU 652 NE2 HIS A 478 2107 1989 2166 542 -22 -699 N ATOM 653 N MET A 479 47.404 85.513 154.370 1.00 14.89 N ANISOU 653 N MET A 479 1863 1967 1828 422 214 -342 N ATOM 654 CA MET A 479 46.616 86.737 154.246 1.00 18.62 C ANISOU 654 CA MET A 479 2285 2414 2376 466 225 -364 C ATOM 655 C MET A 479 45.295 86.672 155.000 1.00 19.18 C ANISOU 655 C MET A 479 2347 2570 2371 509 282 -382 C ATOM 656 O MET A 479 44.860 87.669 155.583 1.00 17.41 O ANISOU 656 O MET A 479 2106 2333 2177 576 281 -451 O ATOM 657 CB MET A 479 46.329 87.051 152.773 1.00 17.97 C ANISOU 657 CB MET A 479 2153 2298 2377 430 234 -277 C ATOM 658 CG MET A 479 47.524 87.556 151.998 1.00 28.84 C ANISOU 658 CG MET A 479 3528 3571 3858 402 197 -263 C ATOM 659 SD MET A 479 48.234 89.021 152.775 1.00 46.80 S ANISOU 659 SD MET A 479 5798 5735 6249 455 156 -379 S ATOM 660 CE MET A 479 46.771 90.004 153.029 1.00 16.51 C ANISOU 660 CE MET A 479 1931 1913 2428 533 183 -396 C ATOM 661 N LYS A 480 44.652 85.505 154.989 1.00 28.23 N ANISOU 661 N LYS A 480 3501 3796 3429 469 339 -325 N ATOM 662 CA LYS A 480 43.364 85.346 155.670 1.00 29.60 C ANISOU 662 CA LYS A 480 3656 4052 3540 497 415 -338 C ATOM 663 C LYS A 480 43.497 85.605 157.168 1.00 29.74 C ANISOU 663 C LYS A 480 3733 4091 3475 572 424 -423 C ATOM 664 O LYS A 480 42.543 86.034 157.817 1.00 32.23 O ANISOU 664 O LYS A 480 4026 4455 3765 625 477 -465 O ATOM 665 CB LYS A 480 42.762 83.957 155.399 1.00 32.56 C ANISOU 665 CB LYS A 480 4027 4493 3851 425 483 -264 C ATOM 666 CG LYS A 480 42.327 83.746 153.944 1.00 35.29 C ANISOU 666 CG LYS A 480 4299 4841 4270 367 474 -199 C ATOM 667 CD LYS A 480 41.594 82.419 153.736 1.00 34.45 C ANISOU 667 CD LYS A 480 4171 4797 4120 296 543 -151 C ATOM 668 N ARG A 481 44.692 85.375 157.707 1.00 25.63 N ANISOU 668 N ARG A 481 3286 3539 2911 586 369 -459 N ATOM 669 CA ARG A 481 44.942 85.562 159.131 1.00 28.25 C ANISOU 669 CA ARG A 481 3688 3899 3146 673 360 -549 C ATOM 670 C ARG A 481 44.961 87.034 159.516 1.00 31.48 C ANISOU 670 C ARG A 481 4064 4265 3632 750 311 -659 C ATOM 671 O ARG A 481 44.828 87.364 160.692 1.00 31.59 O ANISOU 671 O ARG A 481 4120 4317 3567 836 315 -746 O ATOM 672 CB ARG A 481 46.257 84.897 159.553 1.00 30.45 C ANISOU 672 CB ARG A 481 4051 4160 3361 680 295 -567 C ATOM 673 N HIS A 482 45.124 87.922 158.535 1.00 21.70 N ANISOU 673 N HIS A 482 2756 2944 2546 724 270 -654 N ATOM 674 CA HIS A 482 45.116 89.357 158.822 1.00 24.23 C ANISOU 674 CA HIS A 482 3043 3201 2962 793 228 -755 C ATOM 675 C HIS A 482 43.702 89.901 158.949 1.00 25.82 C ANISOU 675 C HIS A 482 3196 3448 3166 840 293 -760 C ATOM 676 O HIS A 482 43.510 91.025 159.402 1.00 29.47 O ANISOU 676 O HIS A 482 3639 3874 3685 913 271 -854 O ATOM 677 CB HIS A 482 45.841 90.151 157.732 1.00 20.95 C ANISOU 677 CB HIS A 482 2582 2661 2717 752 173 -739 C ATOM 678 CG HIS A 482 47.331 90.051 157.798 1.00 22.17 C ANISOU 678 CG HIS A 482 2763 2750 2910 726 100 -786 C ATOM 679 ND1 HIS A 482 48.068 90.624 158.808 1.00 23.04 N ANISOU 679 ND1 HIS A 482 2893 2828 3033 788 32 -928 N ATOM 680 CD2 HIS A 482 48.222 89.453 156.971 1.00 21.62 C ANISOU 680 CD2 HIS A 482 2694 2645 2877 649 80 -721 C ATOM 681 CE1 HIS A 482 49.352 90.379 158.608 1.00 22.97 C ANISOU 681 CE1 HIS A 482 2887 2766 3073 748 -29 -952 C ATOM 682 NE2 HIS A 482 49.471 89.665 157.500 1.00 20.81 N ANISOU 682 NE2 HIS A 482 2603 2490 2813 663 5 -824 N ATOM 683 N PHE A 483 42.716 89.105 158.550 1.00 26.56 N ANISOU 683 N PHE A 483 3262 3621 3208 798 372 -671 N ATOM 684 CA PHE A 483 41.348 89.611 158.410 1.00 31.02 C ANISOU 684 CA PHE A 483 3753 4228 3804 833 428 -671 C ATOM 685 C PHE A 483 40.314 88.877 159.261 1.00 40.77 C ANISOU 685 C PHE A 483 4990 5583 4916 848 533 -673 C ATOM 686 O PHE A 483 39.169 89.323 159.374 1.00 42.10 O ANISOU 686 O PHE A 483 5092 5800 5105 890 587 -698 O ATOM 687 CB PHE A 483 40.938 89.581 156.936 1.00 25.00 C ANISOU 687 CB PHE A 483 2922 3443 3135 777 424 -576 C ATOM 688 CG PHE A 483 41.834 90.400 156.049 1.00 19.86 C ANISOU 688 CG PHE A 483 2271 2669 2607 769 345 -561 C ATOM 689 CD1 PHE A 483 41.838 91.786 156.137 1.00 26.25 C ANISOU 689 CD1 PHE A 483 3062 3393 3518 840 309 -626 C ATOM 690 CD2 PHE A 483 42.671 89.790 155.129 1.00 22.53 C ANISOU 690 CD2 PHE A 483 2628 2969 2963 691 318 -481 C ATOM 691 CE1 PHE A 483 42.665 92.544 155.320 1.00 22.79 C ANISOU 691 CE1 PHE A 483 2629 2827 3205 826 257 -603 C ATOM 692 CE2 PHE A 483 43.501 90.541 154.312 1.00 23.08 C ANISOU 692 CE2 PHE A 483 2698 2923 3147 680 267 -460 C ATOM 693 CZ PHE A 483 43.495 91.919 154.406 1.00 25.25 C ANISOU 693 CZ PHE A 483 2958 3106 3529 745 241 -516 C ATOM 694 OXT PHE A 483 40.594 87.836 159.857 1.00 45.71 O ANISOU 694 OXT PHE A 483 5685 6258 5424 822 574 -647 O TER 695 PHE A 483 ATOM 696 O5' DG B 1 55.510 78.488 155.647 1.00 29.76 O ANISOU 696 O5' DG B 1 4094 3832 3381 409 -136 -425 O ATOM 697 C5' DG B 1 56.370 78.007 156.697 1.00 22.28 C ANISOU 697 C5' DG B 1 3216 2901 2347 502 -219 -500 C ATOM 698 C4' DG B 1 56.882 76.599 156.412 1.00 21.30 C ANISOU 698 C4' DG B 1 3150 2779 2164 495 -227 -443 C ATOM 699 O4' DG B 1 55.831 75.613 156.608 1.00 20.81 O ANISOU 699 O4' DG B 1 3180 2744 1982 481 -138 -332 O ATOM 700 C3' DG B 1 57.435 76.311 155.017 1.00 13.40 C ANISOU 700 C3' DG B 1 2072 1741 1277 405 -219 -406 C ATOM 701 O3' DG B 1 58.502 75.404 155.221 1.00 20.59 O ANISOU 701 O3' DG B 1 3023 2648 2153 452 -289 -439 O ATOM 702 C2' DG B 1 56.252 75.670 154.286 1.00 12.74 C ANISOU 702 C2' DG B 1 2008 1671 1162 326 -114 -280 C ATOM 703 C1' DG B 1 55.601 74.873 155.410 1.00 13.33 C ANISOU 703 C1' DG B 1 2204 1778 1082 384 -84 -243 C ATOM 704 N9 DG B 1 54.148 74.760 155.357 1.00 13.22 N ANISOU 704 N9 DG B 1 2203 1788 1031 336 23 -162 N ATOM 705 C8 DG B 1 53.225 75.753 155.134 1.00 13.07 C ANISOU 705 C8 DG B 1 2116 1784 1064 305 70 -160 C ATOM 706 N7 DG B 1 51.993 75.335 155.194 1.00 13.94 N ANISOU 706 N7 DG B 1 2246 1921 1129 270 163 -91 N ATOM 707 C5 DG B 1 52.104 73.977 155.482 1.00 13.82 C ANISOU 707 C5 DG B 1 2324 1899 1029 271 188 -39 C ATOM 708 C6 DG B 1 51.094 72.998 155.663 1.00 13.74 C ANISOU 708 C6 DG B 1 2366 1895 958 232 291 42 C ATOM 709 O6 DG B 1 49.862 73.135 155.610 1.00 13.88 O ANISOU 709 O6 DG B 1 2348 1939 988 186 380 75 O ATOM 710 N1 DG B 1 51.645 71.752 155.936 1.00 14.05 N ANISOU 710 N1 DG B 1 2506 1902 930 250 287 80 N ATOM 711 C2 DG B 1 52.989 71.485 156.041 1.00 15.16 C ANISOU 711 C2 DG B 1 2688 2018 1054 311 187 39 C ATOM 712 N2 DG B 1 53.320 70.210 156.317 1.00 14.48 N ANISOU 712 N2 DG B 1 2708 1897 897 332 197 88 N ATOM 713 N3 DG B 1 53.943 72.395 155.866 1.00 16.56 N ANISOU 713 N3 DG B 1 2801 2198 1292 346 86 -47 N ATOM 714 C4 DG B 1 53.424 73.615 155.598 1.00 13.43 C ANISOU 714 C4 DG B 1 2312 1823 969 319 98 -79 C ATOM 715 P DA B 2 59.411 74.925 153.989 1.00 22.02 P ANISOU 715 P DA B 2 3136 2798 2434 389 -301 -430 P ATOM 716 OP1 DA B 2 60.767 74.664 154.505 1.00 21.67 O ANISOU 716 OP1 DA B 2 3088 2748 2396 468 -410 -534 O ATOM 717 OP2 DA B 2 59.190 75.855 152.849 1.00 21.35 O ANISOU 717 OP2 DA B 2 2944 2688 2482 297 -246 -407 O ATOM 718 O5' DA B 2 58.775 73.525 153.553 1.00 14.27 O ANISOU 718 O5' DA B 2 2234 1824 1365 352 -236 -312 O ATOM 719 C5' DA B 2 58.840 72.393 154.390 1.00 16.64 C ANISOU 719 C5' DA B 2 2655 2131 1536 423 -256 -290 C ATOM 720 C4' DA B 2 58.058 71.294 153.703 1.00 15.27 C ANISOU 720 C4' DA B 2 2524 1945 1331 350 -171 -178 C ATOM 721 O4' DA B 2 56.654 71.628 153.722 1.00 15.55 O ANISOU 721 O4' DA B 2 2562 2001 1347 298 -77 -114 O ATOM 722 C3' DA B 2 58.397 71.121 152.226 1.00 11.99 C ANISOU 722 C3' DA B 2 2022 1514 1021 265 -157 -162 C ATOM 723 O3' DA B 2 59.115 69.899 152.132 1.00 13.42 O ANISOU 723 O3' DA B 2 2257 1671 1170 293 -191 -158 O ATOM 724 C2' DA B 2 57.044 71.081 151.499 1.00 11.47 C ANISOU 724 C2' DA B 2 1935 1459 964 173 -58 -77 C ATOM 725 C1' DA B 2 56.052 70.930 152.649 1.00 15.73 C ANISOU 725 C1' DA B 2 2562 2013 1403 205 -11 -41 C ATOM 726 N9 DA B 2 54.762 71.582 152.478 1.00 11.80 N ANISOU 726 N9 DA B 2 2021 1541 922 152 64 -4 N ATOM 727 C8 DA B 2 54.532 72.897 152.161 1.00 11.53 C ANISOU 727 C8 DA B 2 1897 1523 958 138 62 -35 C ATOM 728 N7 DA B 2 53.263 73.195 152.112 1.00 11.51 N ANISOU 728 N7 DA B 2 1874 1547 953 101 132 5 N ATOM 729 C5 DA B 2 52.609 72.007 152.420 1.00 11.82 C ANISOU 729 C5 DA B 2 1985 1586 923 81 192 62 C ATOM 730 C6 DA B 2 51.239 71.666 152.530 1.00 12.10 C ANISOU 730 C6 DA B 2 2022 1640 937 34 287 112 C ATOM 731 N6 DA B 2 50.230 72.530 152.340 1.00 12.92 N ANISOU 731 N6 DA B 2 2050 1779 1078 10 327 111 N ATOM 732 N1 DA B 2 50.939 70.395 152.849 1.00 12.56 N ANISOU 732 N1 DA B 2 2158 1673 942 14 342 162 N ATOM 733 C2 DA B 2 51.933 69.516 153.045 1.00 12.71 C ANISOU 733 C2 DA B 2 2258 1650 920 49 298 166 C ATOM 734 N3 DA B 2 53.247 69.725 152.975 1.00 12.46 N ANISOU 734 N3 DA B 2 2230 1607 896 104 200 116 N ATOM 735 C4 DA B 2 53.520 71.003 152.652 1.00 12.02 C ANISOU 735 C4 DA B 2 2085 1577 904 112 154 62 C ATOM 736 P DG B 3 59.570 69.313 150.710 1.00 16.41 P ANISOU 736 P DG B 3 2575 2034 1626 225 -180 -144 P ATOM 737 OP1 DG B 3 60.709 68.438 151.004 1.00 13.88 O ANISOU 737 OP1 DG B 3 2299 1692 1283 299 -255 -188 O ATOM 738 OP2 DG B 3 59.665 70.435 149.733 1.00 14.41 O ANISOU 738 OP2 DG B 3 2199 1795 1481 164 -161 -164 O ATOM 739 O5' DG B 3 58.353 68.380 150.265 1.00 17.05 O ANISOU 739 O5' DG B 3 2708 2106 1666 156 -93 -49 O ATOM 740 C5' DG B 3 58.023 67.240 151.033 1.00 16.81 C ANISOU 740 C5' DG B 3 2799 2044 1544 190 -75 -2 C ATOM 741 C4' DG B 3 56.799 66.596 150.420 1.00 15.33 C ANISOU 741 C4' DG B 3 2618 1845 1362 97 18 70 C ATOM 742 O4' DG B 3 55.643 67.444 150.631 1.00 16.87 O ANISOU 742 O4' DG B 3 2777 2076 1557 59 79 95 O ATOM 743 C3' DG B 3 56.869 66.336 148.914 1.00 11.79 C ANISOU 743 C3' DG B 3 2087 1401 992 23 24 64 C ATOM 744 O3' DG B 3 56.613 64.951 148.731 1.00 14.26 O ANISOU 744 O3' DG B 3 2465 1664 1287 -2 53 99 O ATOM 745 C2' DG B 3 55.772 67.209 148.314 1.00 10.75 C ANISOU 745 C2' DG B 3 1871 1314 900 -47 77 84 C ATOM 746 C1' DG B 3 54.815 67.371 149.494 1.00 12.35 C ANISOU 746 C1' DG B 3 2130 1518 1043 -34 129 119 C ATOM 747 N9 DG B 3 54.015 68.590 149.419 1.00 12.65 N ANISOU 747 N9 DG B 3 2095 1604 1108 -57 156 118 N ATOM 748 C8 DG B 3 54.473 69.876 149.274 1.00 10.62 C ANISOU 748 C8 DG B 3 1771 1372 892 -32 117 79 C ATOM 749 N7 DG B 3 53.523 70.765 149.234 1.00 10.54 N ANISOU 749 N7 DG B 3 1710 1393 901 -53 154 90 N ATOM 750 C5 DG B 3 52.356 70.026 149.379 1.00 11.06 C ANISOU 750 C5 DG B 3 1801 1465 938 -97 223 133 C ATOM 751 C6 DG B 3 51.013 70.457 149.409 1.00 12.30 C ANISOU 751 C6 DG B 3 1912 1656 1105 -131 284 152 C ATOM 752 O6 DG B 3 50.573 71.617 149.322 1.00 16.17 O ANISOU 752 O6 DG B 3 2341 2180 1625 -120 285 138 O ATOM 753 N1 DG B 3 50.139 69.383 149.567 1.00 12.68 N ANISOU 753 N1 DG B 3 1990 1692 1137 -181 354 185 N ATOM 754 C2 DG B 3 50.518 68.058 149.672 1.00 15.52 C ANISOU 754 C2 DG B 3 2425 1999 1473 -195 364 206 C ATOM 755 N2 DG B 3 49.525 67.168 149.815 1.00 12.38 N ANISOU 755 N2 DG B 3 2042 1579 1081 -255 447 238 N ATOM 756 N3 DG B 3 51.778 67.645 149.643 1.00 12.43 N ANISOU 756 N3 DG B 3 2086 1574 1063 -153 300 193 N ATOM 757 C4 DG B 3 52.643 68.682 149.489 1.00 13.33 C ANISOU 757 C4 DG B 3 2160 1710 1193 -105 230 153 C ATOM 758 P DG B 4 56.488 64.321 147.258 1.00 15.80 P ANISOU 758 P DG B 4 2600 1858 1544 -75 65 90 P ATOM 759 OP1 DG B 4 56.798 62.885 147.462 1.00 15.27 O ANISOU 759 OP1 DG B 4 2627 1718 1457 -57 62 102 O ATOM 760 OP2 DG B 4 57.219 65.137 146.260 1.00 14.34 O ANISOU 760 OP2 DG B 4 2315 1721 1412 -77 25 45 O ATOM 761 O5' DG B 4 54.937 64.460 146.894 1.00 18.18 O ANISOU 761 O5' DG B 4 2858 2183 1866 -162 142 125 O ATOM 762 C5' DG B 4 53.994 63.663 147.586 1.00 17.07 C ANISOU 762 C5' DG B 4 2786 1997 1703 -193 211 171 C ATOM 763 C4' DG B 4 52.648 63.846 146.921 1.00 16.63 C ANISOU 763 C4' DG B 4 2647 1977 1696 -280 268 175 C ATOM 764 O4' DG B 4 52.152 65.177 147.204 1.00 16.23 O ANISOU 764 O4' DG B 4 2539 1990 1639 -270 277 178 O ATOM 765 C3' DG B 4 52.668 63.698 145.399 1.00 15.25 C ANISOU 765 C3' DG B 4 2386 1835 1575 -323 234 132 C ATOM 766 O3' DG B 4 51.692 62.731 145.033 1.00 14.29 O ANISOU 766 O3' DG B 4 2251 1681 1495 -398 282 127 O ATOM 767 C2' DG B 4 52.299 65.083 144.870 1.00 14.09 C ANISOU 767 C2' DG B 4 2142 1770 1440 -323 222 122 C ATOM 768 C1' DG B 4 51.530 65.681 146.045 1.00 15.32 C ANISOU 768 C1' DG B 4 2316 1932 1573 -317 272 155 C ATOM 769 N9 DG B 4 51.589 67.139 146.056 1.00 11.40 N ANISOU 769 N9 DG B 4 1765 1490 1075 -281 250 150 N ATOM 770 C8 DG B 4 52.708 67.936 145.982 1.00 10.42 C ANISOU 770 C8 DG B 4 1635 1374 950 -227 196 133 C ATOM 771 N7 DG B 4 52.430 69.211 146.007 1.00 10.33 N ANISOU 771 N7 DG B 4 1571 1399 953 -211 196 132 N ATOM 772 C5 DG B 4 51.047 69.258 146.098 1.00 11.03 C ANISOU 772 C5 DG B 4 1630 1515 1047 -248 247 149 C ATOM 773 C6 DG B 4 50.181 70.374 146.140 1.00 13.65 C ANISOU 773 C6 DG B 4 1901 1889 1394 -242 265 152 C ATOM 774 O6 DG B 4 50.487 71.569 146.107 1.00 11.22 O ANISOU 774 O6 DG B 4 1566 1595 1103 -204 242 146 O ATOM 775 N1 DG B 4 48.839 70.005 146.228 1.00 10.74 N ANISOU 775 N1 DG B 4 1501 1543 1035 -286 319 157 N ATOM 776 C2 DG B 4 48.400 68.703 146.247 1.00 15.61 C ANISOU 776 C2 DG B 4 2140 2134 1657 -341 357 159 C ATOM 777 N2 DG B 4 47.067 68.533 146.329 1.00 11.96 N ANISOU 777 N2 DG B 4 1624 1696 1226 -388 414 154 N ATOM 778 N3 DG B 4 49.205 67.646 146.207 1.00 11.18 N ANISOU 778 N3 DG B 4 1644 1520 1082 -349 343 162 N ATOM 779 C4 DG B 4 50.513 67.995 146.127 1.00 12.23 C ANISOU 779 C4 DG B 4 1810 1642 1195 -296 283 156 C HETATM 780 N1 5CM B 5 49.771 67.901 142.536 1.00 12.25 N ANISOU 780 N1 5CM B 5 1631 1756 1267 -356 216 100 N HETATM 781 C2 5CM B 5 49.147 69.096 142.734 1.00 10.49 C ANISOU 781 C2 5CM B 5 1364 1573 1049 -333 225 114 C HETATM 782 N3 5CM B 5 49.864 70.234 142.864 1.00 10.26 N ANISOU 782 N3 5CM B 5 1342 1543 1012 -282 209 135 N HETATM 783 C4 5CM B 5 51.206 70.174 142.796 1.00 11.47 C ANISOU 783 C4 5CM B 5 1535 1663 1158 -259 184 135 C HETATM 784 C5 5CM B 5 51.863 68.958 142.596 1.00 13.04 C ANISOU 784 C5 5CM B 5 1775 1832 1348 -277 171 118 C HETATM 785 C5A 5CM B 5 53.347 68.902 142.516 1.00 13.56 C ANISOU 785 C5A 5CM B 5 1871 1867 1415 -245 142 107 C HETATM 786 C6 5CM B 5 51.123 67.798 142.454 1.00 15.62 C ANISOU 786 C6 5CM B 5 2106 2153 1678 -324 186 102 C HETATM 787 O2 5CM B 5 47.929 69.142 142.804 1.00 11.50 O ANISOU 787 O2 5CM B 5 1441 1733 1198 -359 251 103 O HETATM 788 N4 5CM B 5 51.956 71.401 142.919 1.00 9.47 N ANISOU 788 N4 5CM B 5 1275 1400 921 -216 173 146 N HETATM 789 C1' 5CM B 5 48.975 66.706 142.380 1.00 13.53 C ANISOU 789 C1' 5CM B 5 1782 1904 1456 -417 238 72 C HETATM 790 C2' 5CM B 5 49.270 65.965 141.141 1.00 21.75 C ANISOU 790 C2' 5CM B 5 2805 2957 2502 -429 196 30 C HETATM 791 C3' 5CM B 5 48.591 64.710 141.348 1.00 19.86 C ANISOU 791 C3' 5CM B 5 2568 2671 2305 -496 228 1 C HETATM 792 C4' 5CM B 5 48.514 64.570 142.856 1.00 20.38 C ANISOU 792 C4' 5CM B 5 2703 2673 2368 -507 295 49 C HETATM 793 O4' 5CM B 5 49.096 65.731 143.395 1.00 13.58 O ANISOU 793 O4' 5CM B 5 1863 1833 1462 -444 282 87 O HETATM 794 O3' 5CM B 5 47.301 64.872 140.881 1.00 27.09 O ANISOU 794 O3' 5CM B 5 3391 3643 3260 -529 232 -38 O HETATM 795 C5' 5CM B 5 49.286 63.415 143.342 1.00 16.79 C ANISOU 795 C5' 5CM B 5 2347 2127 1908 -512 307 62 C HETATM 796 O5' 5CM B 5 50.579 63.272 142.828 1.00 18.61 O ANISOU 796 O5' 5CM B 5 2613 2349 2110 -465 247 51 O HETATM 797 P 5CM B 5 51.581 62.245 143.507 1.00 19.26 P ANISOU 797 P 5CM B 5 2808 2338 2174 -440 246 68 P HETATM 798 OP1 5CM B 5 52.957 62.412 142.813 1.00 17.46 O ANISOU 798 OP1 5CM B 5 2581 2129 1923 -381 175 42 O HETATM 799 OP2 5CM B 5 51.082 60.828 143.521 1.00 20.64 O ANISOU 799 OP2 5CM B 5 3017 2430 2395 -500 287 56 O ATOM 800 P DG B 6 46.730 64.012 139.642 1.00 28.75 P ANISOU 800 P DG B 6 3531 3882 3510 -566 191 -124 P ATOM 801 OP1 DG B 6 46.284 62.705 140.176 1.00 34.99 O ANISOU 801 OP1 DG B 6 4338 4585 4372 -648 245 -150 O ATOM 802 OP2 DG B 6 47.679 64.119 138.507 1.00 33.94 O ANISOU 802 OP2 DG B 6 4204 4580 4113 -509 122 -140 O ATOM 803 O5' DG B 6 45.431 64.847 139.225 1.00 22.56 O ANISOU 803 O5' DG B 6 2633 3191 2747 -560 175 -158 O ATOM 804 C5' DG B 6 44.433 65.095 140.220 1.00 18.25 C ANISOU 804 C5' DG B 6 2050 2636 2250 -599 243 -145 C ATOM 805 C4' DG B 6 43.712 66.384 139.885 1.00 14.25 C ANISOU 805 C4' DG B 6 1463 2224 1728 -544 211 -148 C ATOM 806 O4' DG B 6 44.522 67.514 140.286 1.00 16.51 O ANISOU 806 O4' DG B 6 1811 2511 1949 -475 210 -71 O ATOM 807 C3' DG B 6 43.416 66.593 138.401 1.00 14.22 C ANISOU 807 C3' DG B 6 1387 2311 1703 -498 118 -211 C ATOM 808 O3' DG B 6 42.099 67.122 138.269 1.00 15.45 O ANISOU 808 O3' DG B 6 1430 2539 1900 -489 105 -258 O ATOM 809 C2' DG B 6 44.476 67.595 137.951 1.00 14.51 C ANISOU 809 C2' DG B 6 1490 2373 1651 -408 81 -143 C ATOM 810 C1' DG B 6 44.671 68.423 139.217 1.00 15.97 C ANISOU 810 C1' DG B 6 1717 2516 1836 -400 142 -69 C ATOM 811 N9 DG B 6 46.002 69.025 139.320 1.00 12.76 N ANISOU 811 N9 DG B 6 1394 2077 1377 -353 138 -4 N ATOM 812 C8 DG B 6 47.225 68.389 139.305 1.00 12.41 C ANISOU 812 C8 DG B 6 1424 1980 1311 -360 137 10 C ATOM 813 N7 DG B 6 48.232 69.207 139.427 1.00 12.94 N ANISOU 813 N7 DG B 6 1537 2030 1349 -314 137 59 N ATOM 814 C5 DG B 6 47.661 70.467 139.530 1.00 14.38 C ANISOU 814 C5 DG B 6 1684 2247 1533 -273 140 86 C ATOM 815 C6 DG B 6 48.268 71.738 139.673 1.00 10.58 C ANISOU 815 C6 DG B 6 1223 1754 1044 -221 145 135 C ATOM 816 O6 DG B 6 49.480 72.023 139.735 1.00 12.40 O ANISOU 816 O6 DG B 6 1499 1942 1270 -204 149 161 O ATOM 817 N1 DG B 6 47.308 72.747 139.730 1.00 10.88 N ANISOU 817 N1 DG B 6 1213 1827 1093 -187 145 145 N ATOM 818 C2 DG B 6 45.950 72.555 139.663 1.00 14.51 C ANISOU 818 C2 DG B 6 1605 2339 1570 -199 138 107 C ATOM 819 N2 DG B 6 45.189 73.664 139.747 1.00 15.74 N ANISOU 819 N2 DG B 6 1718 2525 1736 -150 135 119 N ATOM 820 N3 DG B 6 45.380 71.363 139.535 1.00 14.16 N ANISOU 820 N3 DG B 6 1528 2310 1541 -255 136 54 N ATOM 821 C4 DG B 6 46.290 70.368 139.463 1.00 14.96 C ANISOU 821 C4 DG B 6 1684 2367 1631 -291 138 49 C ATOM 822 P DT B 7 41.459 67.344 136.814 1.00 20.41 P ANISOU 822 P DT B 7 1968 3278 2508 -428 -1 -340 P ATOM 823 OP1 DT B 7 39.991 67.346 137.002 1.00 19.98 O ANISOU 823 OP1 DT B 7 1781 3269 2543 -459 4 -420 O ATOM 824 OP2 DT B 7 42.084 66.391 135.872 1.00 23.65 O ANISOU 824 OP2 DT B 7 2409 3685 2893 -433 -52 -389 O ATOM 825 O5' DT B 7 41.914 68.822 136.408 1.00 16.97 O ANISOU 825 O5' DT B 7 1574 2895 1978 -311 -38 -261 O ATOM 826 C5' DT B 7 41.432 69.932 137.146 1.00 16.83 C ANISOU 826 C5' DT B 7 1537 2886 1973 -279 -5 -214 C ATOM 827 C4' DT B 7 42.198 71.166 136.717 1.00 19.37 C ANISOU 827 C4' DT B 7 1928 3221 2211 -179 -30 -128 C ATOM 828 O4' DT B 7 43.617 70.965 136.909 1.00 26.32 O ANISOU 828 O4' DT B 7 2914 4029 3055 -196 2 -66 O ATOM 829 C3' DT B 7 42.046 71.483 135.234 1.00 24.40 C ANISOU 829 C3' DT B 7 2546 3946 2777 -85 -119 -150 C ATOM 830 O3' DT B 7 40.957 72.446 135.142 1.00 25.92 O ANISOU 830 O3' DT B 7 2666 4204 2979 -14 -153 -163 O ATOM 831 C2' DT B 7 43.450 71.978 134.819 1.00 27.14 C ANISOU 831 C2' DT B 7 3006 4258 3046 -38 -105 -57 C ATOM 832 C1' DT B 7 44.299 71.905 136.099 1.00 19.74 C ANISOU 832 C1' DT B 7 2130 3218 2152 -108 -25 -5 C ATOM 833 N1 DT B 7 45.786 71.520 136.098 1.00 20.89 N ANISOU 833 N1 DT B 7 2365 3301 2272 -129 3 37 N ATOM 834 C2 DT B 7 46.729 72.523 136.267 1.00 16.15 C ANISOU 834 C2 DT B 7 1823 2657 1654 -90 34 116 C ATOM 835 O2 DT B 7 46.427 73.691 136.374 1.00 17.67 O ANISOU 835 O2 DT B 7 2010 2855 1850 -39 41 159 O ATOM 836 N3 DT B 7 48.045 72.135 136.290 1.00 13.00 N ANISOU 836 N3 DT B 7 1486 2208 1246 -111 58 137 N ATOM 837 C4 DT B 7 48.540 70.860 136.193 1.00 23.74 C ANISOU 837 C4 DT B 7 2865 3551 2605 -159 52 94 C ATOM 838 O4 DT B 7 49.750 70.616 136.232 1.00 25.95 O ANISOU 838 O4 DT B 7 3194 3786 2880 -166 71 111 O ATOM 839 C5 DT B 7 47.522 69.846 136.031 1.00 25.43 C ANISOU 839 C5 DT B 7 3028 3800 2836 -199 22 18 C ATOM 840 C7 DT B 7 47.962 68.418 135.910 1.00 30.91 C ANISOU 840 C7 DT B 7 3742 4462 3540 -252 15 -36 C ATOM 841 C6 DT B 7 46.222 70.208 135.998 1.00 17.24 C ANISOU 841 C6 DT B 7 1920 2814 1816 -187 1 -9 C ATOM 842 P DG B 8 40.154 72.689 133.767 1.00 44.29 P ANISOU 842 P DG B 8 4930 6648 5249 93 -263 -224 P ATOM 843 OP1 DG B 8 38.795 73.157 134.118 1.00 39.49 O ANISOU 843 OP1 DG B 8 4207 6092 4705 117 -286 -282 O ATOM 844 OP2 DG B 8 40.327 71.514 132.883 1.00 40.60 O ANISOU 844 OP2 DG B 8 4453 6216 4756 70 -316 -304 O ATOM 845 O5' DG B 8 40.930 73.909 133.096 1.00 31.86 O ANISOU 845 O5' DG B 8 3460 5076 3571 213 -273 -108 O ATOM 846 C5' DG B 8 40.854 75.194 133.671 1.00 27.16 C ANISOU 846 C5' DG B 8 2887 4445 2988 262 -237 -28 C ATOM 847 C4' DG B 8 41.830 76.126 132.991 1.00 23.83 C ANISOU 847 C4' DG B 8 2577 3995 2481 349 -224 87 C ATOM 848 O4' DG B 8 43.187 75.716 133.289 1.00 22.50 O ANISOU 848 O4' DG B 8 2489 3745 2313 275 -155 136 O ATOM 849 C3' DG B 8 41.743 76.161 131.470 1.00 26.81 C ANISOU 849 C3' DG B 8 2982 4463 2743 464 -300 86 C ATOM 850 O3' DG B 8 42.061 77.472 131.057 1.00 33.05 O ANISOU 850 O3' DG B 8 3852 5229 3476 573 -281 201 O ATOM 851 C2' DG B 8 42.848 75.198 131.053 1.00 22.26 C ANISOU 851 C2' DG B 8 2465 3867 2126 406 -275 86 C ATOM 852 C1' DG B 8 43.908 75.573 132.078 1.00 24.13 C ANISOU 852 C1' DG B 8 2762 3983 2424 331 -173 169 C ATOM 853 N9 DG B 8 44.971 74.583 132.267 1.00 19.87 N ANISOU 853 N9 DG B 8 2259 3395 1895 240 -132 157 N ATOM 854 C8 DG B 8 44.895 73.213 132.172 1.00 19.48 C ANISOU 854 C8 DG B 8 2175 3369 1857 173 -160 65 C ATOM 855 N7 DG B 8 46.031 72.610 132.402 1.00 21.61 N ANISOU 855 N7 DG B 8 2498 3578 2136 112 -114 80 N ATOM 856 C5 DG B 8 46.922 73.639 132.679 1.00 18.86 C ANISOU 856 C5 DG B 8 2211 3166 1788 134 -51 181 C ATOM 857 C6 DG B 8 48.300 73.608 133.004 1.00 15.10 C ANISOU 857 C6 DG B 8 1794 2613 1330 95 12 227 C ATOM 858 O6 DG B 8 49.052 72.636 133.130 1.00 18.25 O ANISOU 858 O6 DG B 8 2209 2985 1740 39 23 193 O ATOM 859 N1 DG B 8 48.816 74.889 133.197 1.00 16.37 N ANISOU 859 N1 DG B 8 1992 2720 1508 130 64 316 N ATOM 860 C2 DG B 8 48.079 76.046 133.087 1.00 18.66 C ANISOU 860 C2 DG B 8 2275 3021 1793 199 57 362 C ATOM 861 N2 DG B 8 48.730 77.200 133.301 1.00 23.73 N ANISOU 861 N2 DG B 8 2959 3590 2469 220 118 444 N ATOM 862 N3 DG B 8 46.793 76.084 132.786 1.00 18.33 N ANISOU 862 N3 DG B 8 2186 3056 1725 247 -6 325 N ATOM 863 C4 DG B 8 46.279 74.851 132.602 1.00 18.53 C ANISOU 863 C4 DG B 8 2163 3141 1738 209 -58 231 C ATOM 864 P DG B 9 41.233 78.208 129.892 1.00 31.92 P ANISOU 864 P DG B 9 3715 5183 3232 746 -370 213 P ATOM 865 OP1 DG B 9 39.956 78.699 130.464 1.00 34.81 O ANISOU 865 OP1 DG B 9 3981 5579 3668 778 -416 157 O ATOM 866 OP2 DG B 9 41.222 77.326 128.698 1.00 34.75 O ANISOU 866 OP2 DG B 9 4076 5642 3485 792 -444 151 O ATOM 867 O5' DG B 9 42.152 79.475 129.585 1.00 39.01 O ANISOU 867 O5' DG B 9 4744 5997 4080 822 -294 376 O ATOM 868 C5' DG B 9 42.684 80.180 130.700 1.00 30.35 C ANISOU 868 C5' DG B 9 3669 4776 3087 752 -202 440 C ATOM 869 C4' DG B 9 43.973 80.878 130.318 1.00 26.50 C ANISOU 869 C4' DG B 9 3303 4198 2570 769 -110 572 C ATOM 870 O4' DG B 9 45.109 80.007 130.548 1.00 28.87 O ANISOU 870 O4' DG B 9 3621 4458 2892 653 -52 559 O ATOM 871 C3' DG B 9 44.067 81.312 128.862 1.00 29.22 C ANISOU 871 C3' DG B 9 3737 4592 2772 912 -125 654 C ATOM 872 O3' DG B 9 44.730 82.562 128.845 1.00 29.98 O ANISOU 872 O3' DG B 9 3926 4575 2889 953 -32 791 O ATOM 873 C2' DG B 9 44.891 80.201 128.206 1.00 21.58 C ANISOU 873 C2' DG B 9 2797 3669 1735 865 -113 628 C ATOM 874 C1' DG B 9 45.817 79.779 129.335 1.00 25.04 C ANISOU 874 C1' DG B 9 3212 4007 2295 705 -34 610 C ATOM 875 N9 DG B 9 46.169 78.360 129.335 1.00 22.53 N ANISOU 875 N9 DG B 9 2857 3731 1971 616 -55 517 N ATOM 876 C8 DG B 9 45.333 77.285 129.132 1.00 19.14 C ANISOU 876 C8 DG B 9 2354 3400 1517 606 -148 396 C ATOM 877 N7 DG B 9 45.943 76.138 129.213 1.00 20.61 N ANISOU 877 N7 DG B 9 2530 3584 1716 517 -139 336 N ATOM 878 C5 DG B 9 47.258 76.464 129.514 1.00 21.22 C ANISOU 878 C5 DG B 9 2672 3565 1825 470 -38 419 C ATOM 879 C6 DG B 9 48.377 75.624 129.724 1.00 21.35 C ANISOU 879 C6 DG B 9 2705 3539 1868 383 9 399 C ATOM 880 O6 DG B 9 48.428 74.382 129.696 1.00 20.54 O ANISOU 880 O6 DG B 9 2573 3468 1765 328 -27 309 O ATOM 881 N1 DG B 9 49.527 76.365 129.993 1.00 18.89 N ANISOU 881 N1 DG B 9 2445 3132 1598 362 106 489 N ATOM 882 C2 DG B 9 49.588 77.737 130.050 1.00 15.99 C ANISOU 882 C2 DG B 9 2114 2707 1253 411 158 587 C ATOM 883 N2 DG B 9 50.796 78.263 130.333 1.00 20.31 N ANISOU 883 N2 DG B 9 2696 3157 1865 370 254 650 N ATOM 884 N3 DG B 9 48.538 78.527 129.854 1.00 15.90 N ANISOU 884 N3 DG B 9 2100 2726 1214 496 117 615 N ATOM 885 C4 DG B 9 47.410 77.827 129.597 1.00 17.17 C ANISOU 885 C4 DG B 9 2206 2991 1326 524 16 526 C ATOM 886 P DC B 10 44.855 83.400 127.487 1.00 33.15 P ANISOU 886 P DC B 10 4450 4985 3161 1111 -11 917 P ATOM 887 OP1 DC B 10 45.005 84.827 127.865 1.00 36.02 O ANISOU 887 OP1 DC B 10 4867 5213 3606 1142 65 1021 O ATOM 888 OP2 DC B 10 43.760 83.015 126.562 1.00 31.68 O ANISOU 888 OP2 DC B 10 4235 4931 2871 1216 -132 833 O ATOM 889 O5' DC B 10 46.242 82.901 126.865 1.00 27.76 O ANISOU 889 O5' DC B 10 3832 4264 2452 1040 86 949 O ATOM 890 C5' DC B 10 47.445 83.256 127.517 1.00 26.77 C ANISOU 890 C5' DC B 10 3732 4008 2431 938 210 1014 C ATOM 891 C4' DC B 10 48.620 82.409 127.064 1.00 23.59 C ANISOU 891 C4' DC B 10 3347 3607 2008 860 270 997 C ATOM 892 O4' DC B 10 48.402 81.036 127.429 1.00 23.94 O ANISOU 892 O4' DC B 10 3321 3753 2023 802 194 890 O ATOM 893 C3' DC B 10 48.843 82.304 125.566 1.00 26.03 C ANISOU 893 C3' DC B 10 3724 3962 2204 936 280 1013 C ATOM 894 O3' DC B 10 49.537 83.444 125.121 1.00 26.06 O ANISOU 894 O3' DC B 10 3805 3854 2243 958 393 1122 O ATOM 895 C2' DC B 10 49.720 81.051 125.467 1.00 22.28 C ANISOU 895 C2' DC B 10 3224 3524 1715 848 296 949 C ATOM 896 C1' DC B 10 49.355 80.267 126.726 1.00 22.99 C ANISOU 896 C1' DC B 10 3226 3646 1862 764 235 869 C ATOM 897 N1 DC B 10 48.804 78.890 126.513 1.00 23.61 N ANISOU 897 N1 DC B 10 3250 3856 1864 759 129 749 N ATOM 898 C2 DC B 10 49.662 77.806 126.692 1.00 24.47 C ANISOU 898 C2 DC B 10 3338 3967 1991 664 153 690 C ATOM 899 O2 DC B 10 50.838 78.047 127.007 1.00 19.96 O ANISOU 899 O2 DC B 10 2792 3304 1489 599 258 744 O ATOM 900 N3 DC B 10 49.184 76.544 126.505 1.00 22.42 N ANISOU 900 N3 DC B 10 3026 3800 1694 645 59 565 N ATOM 901 C4 DC B 10 47.904 76.360 126.161 1.00 20.09 C ANISOU 901 C4 DC B 10 2690 3602 1342 716 -55 497 C ATOM 902 N4 DC B 10 47.468 75.101 125.993 1.00 20.07 N ANISOU 902 N4 DC B 10 2626 3676 1324 685 -142 363 N ATOM 903 C5 DC B 10 47.015 77.465 125.973 1.00 19.23 C ANISOU 903 C5 DC B 10 2595 3511 1200 824 -86 556 C ATOM 904 C6 DC B 10 47.498 78.701 126.163 1.00 22.79 C ANISOU 904 C6 DC B 10 3109 3858 1694 841 9 683 C TER 905 DC B 10 ATOM 906 O5' DG C 1 55.136 68.223 126.402 1.00 43.12 O ANISOU 906 O5' DG C 1 5589 6368 4429 233 115 42 O ATOM 907 C5' DG C 1 56.392 68.665 125.938 1.00 31.20 C ANISOU 907 C5' DG C 1 4112 4848 2895 259 217 105 C ATOM 908 C4' DG C 1 56.740 69.982 126.606 1.00 23.04 C ANISOU 908 C4' DG C 1 3079 3740 1936 235 297 217 C ATOM 909 O4' DG C 1 55.694 70.955 126.351 1.00 18.88 O ANISOU 909 O4' DG C 1 2570 3247 1356 289 280 284 O ATOM 910 C3' DG C 1 56.941 69.999 128.120 1.00 16.03 C ANISOU 910 C3' DG C 1 2150 2747 1195 142 290 205 C ATOM 911 O3' DG C 1 57.936 70.971 128.290 1.00 26.36 O ANISOU 911 O3' DG C 1 3460 3996 2560 133 390 283 O ATOM 912 C2' DG C 1 55.596 70.500 128.658 1.00 13.69 C ANISOU 912 C2' DG C 1 1840 2452 912 138 231 222 C ATOM 913 C1' DG C 1 55.131 71.450 127.555 1.00 18.85 C ANISOU 913 C1' DG C 1 2531 3173 1457 231 255 300 C ATOM 914 N9 DG C 1 53.676 71.501 127.366 1.00 18.32 N ANISOU 914 N9 DG C 1 2452 3171 1339 272 167 275 N ATOM 915 C8 DG C 1 52.796 70.452 127.307 1.00 16.44 C ANISOU 915 C8 DG C 1 2177 2986 1084 261 68 167 C ATOM 916 N7 DG C 1 51.556 70.822 127.128 1.00 21.89 N ANISOU 916 N7 DG C 1 2845 3731 1740 306 3 158 N ATOM 917 C5 DG C 1 51.607 72.201 127.041 1.00 15.68 C ANISOU 917 C5 DG C 1 2096 2927 936 360 60 276 C ATOM 918 C6 DG C 1 50.564 73.148 126.842 1.00 20.27 C ANISOU 918 C6 DG C 1 2677 3546 1480 434 25 321 C ATOM 919 O6 DG C 1 49.345 72.942 126.698 1.00 16.69 O ANISOU 919 O6 DG C 1 2178 3162 1002 469 -70 254 O ATOM 920 N1 DG C 1 51.051 74.452 126.822 1.00 16.44 N ANISOU 920 N1 DG C 1 2244 3004 997 472 114 450 N ATOM 921 C2 DG C 1 52.378 74.782 126.978 1.00 16.78 C ANISOU 921 C2 DG C 1 2322 2966 1087 431 225 517 C ATOM 922 N2 DG C 1 52.677 76.090 126.936 1.00 19.88 N ANISOU 922 N2 DG C 1 2759 3298 1498 465 308 636 N ATOM 923 N3 DG C 1 53.355 73.901 127.170 1.00 18.61 N ANISOU 923 N3 DG C 1 2541 3172 1357 361 253 466 N ATOM 924 C4 DG C 1 52.903 72.630 127.189 1.00 15.74 C ANISOU 924 C4 DG C 1 2140 2862 980 334 165 350 C ATOM 925 P DC C 2 58.577 71.275 129.730 1.00 26.96 P ANISOU 925 P DC C 2 3496 3963 2786 56 406 278 P ATOM 926 OP1 DC C 2 60.046 71.306 129.518 1.00 28.88 O ANISOU 926 OP1 DC C 2 3722 4175 3077 46 489 277 O ATOM 927 OP2 DC C 2 57.982 70.405 130.770 1.00 28.54 O ANISOU 927 OP2 DC C 2 3678 4139 3028 9 314 204 O ATOM 928 O5' DC C 2 58.087 72.751 130.042 1.00 17.65 O ANISOU 928 O5' DC C 2 2321 2743 1641 64 443 370 O ATOM 929 C5' DC C 2 58.358 73.767 129.102 1.00 21.59 C ANISOU 929 C5' DC C 2 2853 3251 2100 115 536 465 C ATOM 930 C4' DC C 2 57.746 75.058 129.589 1.00 27.48 C ANISOU 930 C4' DC C 2 3605 3944 2895 120 551 539 C ATOM 931 O4' DC C 2 56.308 75.031 129.415 1.00 24.79 O ANISOU 931 O4' DC C 2 3280 3666 2471 167 467 539 O ATOM 932 C3' DC C 2 57.983 75.343 131.067 1.00 29.45 C ANISOU 932 C3' DC C 2 3806 4101 3284 48 532 503 C ATOM 933 O3' DC C 2 58.449 76.674 131.151 1.00 38.10 O ANISOU 933 O3' DC C 2 4900 5115 4460 45 620 577 O ATOM 934 C2' DC C 2 56.608 75.175 131.717 1.00 22.04 C ANISOU 934 C2' DC C 2 2862 3187 2324 50 435 474 C ATOM 935 C1' DC C 2 55.665 75.521 130.577 1.00 23.81 C ANISOU 935 C1' DC C 2 3126 3488 2431 132 427 531 C ATOM 936 N1 DC C 2 54.340 74.848 130.569 1.00 23.84 N ANISOU 936 N1 DC C 2 3118 3569 2370 151 325 476 N ATOM 937 C2 DC C 2 53.176 75.600 130.397 1.00 21.17 C ANISOU 937 C2 DC C 2 2786 3262 1996 208 292 515 C ATOM 938 O2 DC C 2 53.270 76.830 130.294 1.00 22.86 O ANISOU 938 O2 DC C 2 3027 3429 2230 245 349 603 O ATOM 939 N3 DC C 2 51.980 74.954 130.351 1.00 20.85 N ANISOU 939 N3 DC C 2 2716 3296 1911 222 200 449 N ATOM 940 C4 DC C 2 51.922 73.624 130.456 1.00 16.13 C ANISOU 940 C4 DC C 2 2090 2730 1308 176 149 355 C ATOM 941 N4 DC C 2 50.715 73.025 130.417 1.00 14.82 N ANISOU 941 N4 DC C 2 1884 2628 1120 180 67 283 N ATOM 942 C5 DC C 2 53.103 72.848 130.623 1.00 21.65 C ANISOU 942 C5 DC C 2 2798 3390 2037 122 183 325 C ATOM 943 C6 DC C 2 54.280 73.490 130.659 1.00 21.58 C ANISOU 943 C6 DC C 2 2812 3320 2066 116 266 384 C ATOM 944 P DC C 3 59.139 77.213 132.495 1.00 38.90 P ANISOU 944 P DC C 3 4947 5108 4724 -22 629 537 P ATOM 945 OP1 DC C 3 60.100 78.282 132.111 1.00 47.14 O ANISOU 945 OP1 DC C 3 5981 6073 5856 -33 753 598 O ATOM 946 OP2 DC C 3 59.594 76.029 133.265 1.00 36.17 O ANISOU 946 OP2 DC C 3 4567 4774 4402 -63 560 431 O ATOM 947 O5' DC C 3 57.929 77.877 133.276 1.00 27.05 O ANISOU 947 O5' DC C 3 3453 3590 3236 -10 571 550 O ATOM 948 C5' DC C 3 57.111 78.754 132.538 1.00 31.46 C ANISOU 948 C5' DC C 3 4055 4160 3737 52 598 642 C ATOM 949 C4' DC C 3 55.838 79.036 133.306 1.00 25.02 C ANISOU 949 C4' DC C 3 3234 3353 2919 67 520 627 C ATOM 950 O4' DC C 3 54.828 78.020 133.105 1.00 21.70 O ANISOU 950 O4' DC C 3 2814 3034 2395 87 433 583 O ATOM 951 C3' DC C 3 56.002 79.175 134.808 1.00 29.69 C ANISOU 951 C3' DC C 3 3781 3879 3620 11 487 558 C ATOM 952 O3' DC C 3 55.472 80.446 134.999 1.00 42.06 O ANISOU 952 O3' DC C 3 5357 5391 5233 41 508 610 O ATOM 953 C2' DC C 3 55.129 78.066 135.398 1.00 24.56 C ANISOU 953 C2' DC C 3 3120 3299 2912 -1 393 487 C ATOM 954 C1' DC C 3 54.100 77.854 134.298 1.00 22.15 C ANISOU 954 C1' DC C 3 2839 3083 2493 57 369 525 C ATOM 955 N1 DC C 3 53.509 76.487 134.207 1.00 19.93 N ANISOU 955 N1 DC C 3 2546 2884 2141 43 300 459 N ATOM 956 C2 DC C 3 52.159 76.337 133.874 1.00 15.05 C ANISOU 956 C2 DC C 3 1919 2340 1460 82 244 450 C ATOM 957 O2 DC C 3 51.454 77.337 133.679 1.00 20.10 O ANISOU 957 O2 DC C 3 2562 2983 2092 137 245 499 O ATOM 958 N3 DC C 3 51.649 75.088 133.775 1.00 16.52 N ANISOU 958 N3 DC C 3 2085 2587 1604 59 187 379 N ATOM 959 C4 DC C 3 52.415 74.022 133.987 1.00 15.77 C ANISOU 959 C4 DC C 3 1993 2478 1520 8 186 330 C ATOM 960 N4 DC C 3 51.846 72.814 133.872 1.00 13.42 N ANISOU 960 N4 DC C 3 1679 2228 1193 -16 134 261 N ATOM 961 C5 DC C 3 53.793 74.161 134.321 1.00 19.53 C ANISOU 961 C5 DC C 3 2485 2887 2050 -20 236 342 C ATOM 962 C6 DC C 3 54.299 75.400 134.411 1.00 19.01 C ANISOU 962 C6 DC C 3 2426 2765 2033 -4 292 402 C ATOM 963 P A DA C 4 55.950 81.339 136.241 0.51 35.52 P ANISOU 963 P A DA C 4 4494 4453 4549 3 521 571 P ATOM 964 P B DA C 4 55.706 81.256 136.365 0.49 34.02 P ANISOU 964 P B DA C 4 4303 4275 4347 7 504 563 P ATOM 965 OP1A DA C 4 56.211 82.703 135.738 0.51 37.72 O ANISOU 965 OP1A DA C 4 4792 4642 4899 26 608 653 O ATOM 966 OP1B DA C 4 56.100 82.621 135.955 0.49 35.99 O ANISOU 966 OP1B DA C 4 4566 4428 4679 23 591 637 O ATOM 967 OP2A DA C 4 57.013 80.593 136.958 0.51 34.05 O ANISOU 967 OP2A DA C 4 4269 4250 4418 -56 504 483 O ATOM 968 OP2B DA C 4 56.605 80.472 137.247 0.49 36.71 O ANISOU 968 OP2B DA C 4 4607 4604 4737 -51 474 470 O ATOM 969 O5'A DA C 4 54.657 81.387 137.164 0.51 24.00 O ANISOU 969 O5'A DA C 4 3027 3025 3067 23 443 534 O ATOM 970 O5'B DA C 4 54.239 81.348 137.001 0.49 23.85 O ANISOU 970 O5'B DA C 4 3014 3030 3017 40 432 545 O ATOM 971 C5'A DA C 4 53.454 81.726 136.500 0.51 25.04 C ANISOU 971 C5'A DA C 4 3184 3208 3124 88 429 592 C ATOM 972 C5'B DA C 4 53.326 82.143 136.235 0.49 24.96 C ANISOU 972 C5'B DA C 4 3185 3186 3115 110 444 624 C ATOM 973 C4'A DA C 4 52.318 80.973 137.140 0.51 24.31 C ANISOU 973 C4'A DA C 4 3067 3193 2976 87 350 532 C ATOM 974 C4'B DA C 4 51.847 82.148 136.612 0.49 26.17 C ANISOU 974 C4'B DA C 4 3324 3399 3220 151 376 604 C ATOM 975 O4'A DA C 4 52.380 79.578 136.741 0.51 20.69 O ANISOU 975 O4'A DA C 4 2608 2813 2441 61 318 497 O ATOM 976 O4'B DA C 4 51.191 80.893 136.287 0.49 26.05 O ANISOU 976 O4'B DA C 4 3296 3495 3107 148 319 565 O ATOM 977 C3'A DA C 4 52.381 80.982 138.665 0.51 23.05 C ANISOU 977 C3'A DA C 4 2880 2993 2885 47 325 456 C ATOM 978 C3'B DA C 4 51.460 82.434 138.058 0.49 27.96 C ANISOU 978 C3'B DA C 4 3516 3592 3515 128 345 535 C ATOM 979 O3'A DA C 4 51.080 81.232 139.179 0.51 27.97 O ANISOU 979 O3'A DA C 4 3486 3651 3489 78 290 441 O ATOM 980 O3'B DA C 4 50.214 83.112 137.960 0.49 27.85 O ANISOU 980 O3'B DA C 4 3499 3603 3482 195 322 560 O ATOM 981 C2'A DA C 4 52.801 79.553 138.986 0.51 17.44 C ANISOU 981 C2'A DA C 4 2166 2325 2136 -3 295 397 C ATOM 982 C2'B DA C 4 51.293 81.030 138.627 0.49 26.37 C ANISOU 982 C2'B DA C 4 3293 3462 3265 79 297 461 C ATOM 983 C1'A DA C 4 52.000 78.863 137.890 0.51 19.63 C ANISOU 983 C1'A DA C 4 2449 2693 2317 20 274 423 C ATOM 984 C1'B DA C 4 50.591 80.360 137.450 0.49 23.88 C ANISOU 984 C1'B DA C 4 2983 3241 2848 111 273 488 C ATOM 985 N9 A DA C 4 52.262 77.438 137.782 0.51 15.91 N ANISOU 985 N9 A DA C 4 1979 2267 1799 -19 249 379 N ATOM 986 N9 B DA C 4 50.758 78.913 137.396 0.49 18.60 N ANISOU 986 N9 B DA C 4 2307 2629 2131 63 245 438 N ATOM 987 C8 A DA C 4 53.436 76.796 138.064 0.51 12.93 C ANISOU 987 C8 A DA C 4 1610 1856 1445 -59 257 346 C ATOM 988 C8 B DA C 4 51.885 78.201 137.704 0.49 15.44 C ANISOU 988 C8 B DA C 4 1916 2198 1751 10 258 407 C ATOM 989 N7 A DA C 4 53.372 75.497 137.906 0.51 10.22 N ANISOU 989 N7 A DA C 4 1272 1556 1053 -83 228 309 N ATOM 990 N7 B DA C 4 51.750 76.911 137.548 0.49 12.27 N ANISOU 990 N7 B DA C 4 1513 1851 1299 -19 227 366 N ATOM 991 C5 A DA C 4 52.064 75.277 137.503 0.51 10.77 C ANISOU 991 C5 A DA C 4 1329 1692 1072 -66 200 310 C ATOM 992 C5 B DA C 4 50.448 76.764 137.110 0.49 12.91 C ANISOU 992 C5 B DA C 4 1572 2002 1330 9 192 363 C ATOM 993 C6 A DA C 4 51.377 74.096 137.178 0.51 12.03 C ANISOU 993 C6 A DA C 4 1477 1910 1184 -85 164 269 C ATOM 994 C6 B DA C 4 49.693 75.626 136.776 0.49 14.34 C ANISOU 994 C6 B DA C 4 1731 2255 1463 -8 151 315 C ATOM 995 N6 A DA C 4 51.965 72.890 137.208 0.51 10.22 N ANISOU 995 N6 A DA C 4 1264 1674 945 -123 154 228 N ATOM 996 N6 B DA C 4 50.181 74.382 136.844 0.49 14.57 N ANISOU 996 N6 B DA C 4 1769 2284 1482 -58 142 271 N ATOM 997 N1 A DA C 4 50.078 74.214 136.818 0.51 14.18 N ANISOU 997 N1 A DA C 4 1717 2243 1429 -62 137 263 N ATOM 998 N1 B DA C 4 48.421 75.822 136.370 0.49 13.34 N ANISOU 998 N1 B DA C 4 1566 2193 1309 31 116 306 N ATOM 999 C2 A DA C 4 49.515 75.435 136.783 0.51 14.60 C ANISOU 999 C2 A DA C 4 1758 2299 1492 -12 143 304 C ATOM 1000 C2 B DA C 4 47.944 77.076 136.311 0.49 13.70 C ANISOU 1000 C2 B DA C 4 1607 2233 1366 92 121 351 C ATOM 1001 N3 A DA C 4 50.072 76.617 137.064 0.51 12.99 N ANISOU 1001 N3 A DA C 4 1572 2034 1328 12 180 354 N ATOM 1002 N3 B DA C 4 48.556 78.220 136.605 0.49 12.02 N ANISOU 1002 N3 B DA C 4 1425 1947 1196 115 163 406 N ATOM 1003 C4 A DA C 4 51.361 76.463 137.419 0.51 11.86 C ANISOU 1003 C4 A DA C 4 1454 1830 1220 -23 209 352 C ATOM 1004 C4 B DA C 4 49.818 77.988 137.004 0.49 15.70 C ANISOU 1004 C4 B DA C 4 1919 2350 1697 65 199 406 C HETATM 1005 N1 5CM C 5 47.947 77.737 140.299 1.00 17.52 N ANISOU 1005 N1 5CM C 5 2076 2570 2009 -2 183 285 N HETATM 1006 C2 5CM C 5 47.530 76.473 139.981 1.00 16.61 C ANISOU 1006 C2 5CM C 5 1944 2509 1859 -41 165 251 C HETATM 1007 N3 5CM C 5 48.386 75.436 140.049 1.00 11.75 N ANISOU 1007 N3 5CM C 5 1362 1872 1231 -89 168 235 N HETATM 1008 C4 5CM C 5 49.658 75.659 140.422 1.00 12.35 C ANISOU 1008 C4 5CM C 5 1480 1885 1328 -94 183 248 C HETATM 1009 C5 5CM C 5 50.103 76.935 140.746 1.00 17.30 C ANISOU 1009 C5 5CM C 5 2114 2462 1999 -61 200 273 C HETATM 1010 C5A 5CM C 5 51.516 77.144 141.156 1.00 18.43 C ANISOU 1010 C5A 5CM C 5 2284 2536 2182 -72 211 266 C HETATM 1011 C6 5CM C 5 49.223 77.991 140.673 1.00 14.68 C ANISOU 1011 C6 5CM C 5 1756 2141 1681 -16 202 294 C HETATM 1012 O2 5CM C 5 46.380 76.249 139.635 1.00 13.67 O ANISOU 1012 O2 5CM C 5 1522 2200 1474 -32 144 228 O HETATM 1013 N4 A5CM C 5 50.581 74.552 140.496 0.57 9.91 N ANISOU 1013 N4 A5CM C 5 1204 1555 1006 -133 179 226 N HETATM 1014 N4 B5CM C 5 50.582 74.551 140.496 0.43 10.17 N ANISOU 1014 N4 B5CM C 5 1237 1588 1039 -133 179 226 N HETATM 1015 C1' 5CM C 5 47.030 78.864 140.222 1.00 23.62 C ANISOU 1015 C1' 5CM C 5 2818 3356 2799 58 178 302 C HETATM 1016 C2'A5CM C 5 46.830 79.522 141.523 0.57 22.73 C ANISOU 1016 C2'A5CM C 5 2700 3202 2733 61 198 278 C HETATM 1017 C2'B5CM C 5 46.832 79.630 141.458 0.43 23.22 C ANISOU 1017 C2'B5CM C 5 2763 3263 2797 67 198 282 C HETATM 1018 C3'A5CM C 5 46.545 80.894 141.219 0.57 25.14 C ANISOU 1018 C3'A5CM C 5 3000 3481 3070 131 198 313 C HETATM 1019 C3'B5CM C 5 46.411 80.939 141.018 0.43 25.77 C ANISOU 1019 C3'B5CM C 5 3076 3570 3145 140 194 319 C HETATM 1020 C4'A5CM C 5 47.146 81.126 139.851 0.57 25.39 C ANISOU 1020 C4'A5CM C 5 3063 3504 3079 160 197 378 C HETATM 1021 C4'B5CM C 5 46.670 80.989 139.533 0.43 24.01 C ANISOU 1021 C4'B5CM C 5 2874 3367 2883 175 182 377 C HETATM 1022 O4'A5CM C 5 47.379 79.868 139.265 0.57 21.81 O ANISOU 1022 O4'A5CM C 5 2613 3103 2572 119 182 365 O HETATM 1023 O4'B5CM C 5 47.375 79.816 139.211 0.43 22.39 O ANISOU 1023 O4'B5CM C 5 2686 3180 2642 118 181 365 O HETATM 1024 O3'A5CM C 5 45.170 81.086 141.197 0.57 27.51 O ANISOU 1024 O3'A5CM C 5 3247 3844 3363 170 180 293 O HETATM 1025 O3'B5CM C 5 45.047 81.060 141.149 0.43 27.39 O ANISOU 1025 O3'B5CM C 5 3226 3837 3344 173 177 292 O HETATM 1026 C5'A5CM C 5 48.427 81.845 139.947 0.57 29.37 C ANISOU 1026 C5'A5CM C 5 3610 3910 3641 152 234 410 C HETATM 1027 C5'B5CM C 5 47.400 82.205 139.151 0.43 24.14 C ANISOU 1027 C5'B5CM C 5 2932 3300 2939 218 213 442 C HETATM 1028 O5'A5CM C 5 49.347 81.520 140.966 0.57 28.00 O ANISOU 1028 O5'A5CM C 5 3446 3687 3507 96 245 362 O HETATM 1029 O5'B5CM C 5 48.605 82.499 139.798 0.43 30.71 O ANISOU 1029 O5'B5CM C 5 3791 4042 3837 175 249 436 O HETATM 1030 P A5CM C 5 50.882 81.778 140.677 0.57 32.02 P ANISOU 1030 P A5CM C 5 3981 4118 4068 71 278 382 P HETATM 1031 P B5CM C 5 49.481 83.699 139.264 0.43 37.30 P ANISOU 1031 P B5CM C 5 4662 4774 4735 203 298 503 P HETATM 1032 OP1A5CM C 5 51.228 83.299 140.717 0.57 29.62 O ANISOU 1032 OP1A5CM C 5 3682 3713 3858 103 314 412 O HETATM 1033 OP1B5CM C 5 48.558 84.882 138.836 0.43 18.41 O ANISOU 1033 OP1B5CM C 5 2278 2366 2352 293 298 557 O HETATM 1034 OP2A5CM C 5 51.787 81.017 141.601 0.57 21.93 O ANISOU 1034 OP2A5CM C 5 2705 2821 2806 19 266 317 O HETATM 1035 OP2B5CM C 5 50.498 84.113 140.292 0.43 36.37 O ANISOU 1035 OP2B5CM C 5 4542 4562 4716 157 321 457 O ATOM 1036 P DG C 6 44.391 81.505 142.545 1.00 31.24 P ANISOU 1036 P DG C 6 3684 4315 3871 177 199 242 P ATOM 1037 OP1 DG C 6 43.084 82.089 142.196 1.00 27.36 O ANISOU 1037 OP1 DG C 6 3131 3878 3386 244 177 233 O ATOM 1038 OP2 DG C 6 45.380 82.225 143.377 1.00 27.71 O ANISOU 1038 OP2 DG C 6 3284 3776 3467 176 220 240 O ATOM 1039 O5' DG C 6 44.098 80.123 143.281 1.00 21.55 O ANISOU 1039 O5' DG C 6 2440 3131 2615 100 219 192 O ATOM 1040 C5' DG C 6 43.271 79.169 142.670 1.00 16.42 C ANISOU 1040 C5' DG C 6 1738 2558 1943 73 204 171 C ATOM 1041 C4' DG C 6 43.538 77.837 143.343 1.00 17.21 C ANISOU 1041 C4' DG C 6 1859 2653 2026 -12 237 145 C ATOM 1042 O4' DG C 6 44.803 77.323 142.857 1.00 18.67 O ANISOU 1042 O4' DG C 6 2108 2799 2188 -37 222 173 O ATOM 1043 C3' DG C 6 43.679 77.904 144.871 1.00 24.37 C ANISOU 1043 C3' DG C 6 2801 3523 2936 -27 288 127 C ATOM 1044 O3' DG C 6 42.949 76.863 145.473 1.00 35.53 O ANISOU 1044 O3' DG C 6 4191 4966 4342 -84 336 99 O ATOM 1045 C2' DG C 6 45.152 77.606 145.096 1.00 23.25 C ANISOU 1045 C2' DG C 6 2742 3317 2775 -46 280 147 C ATOM 1046 C1' DG C 6 45.324 76.616 143.953 1.00 19.16 C ANISOU 1046 C1' DG C 6 2217 2823 2240 -85 256 159 C ATOM 1047 N9 DG C 6 46.717 76.221 143.846 1.00 16.01 N ANISOU 1047 N9 DG C 6 1884 2374 1827 -101 243 175 N ATOM 1048 C8 DG C 6 47.822 77.014 144.036 1.00 14.24 C ANISOU 1048 C8 DG C 6 1697 2093 1621 -72 232 188 C ATOM 1049 N7 DG C 6 48.940 76.366 143.912 1.00 18.48 N ANISOU 1049 N7 DG C 6 2274 2598 2148 -96 221 189 N ATOM 1050 C5 DG C 6 48.542 75.062 143.638 1.00 12.66 C ANISOU 1050 C5 DG C 6 1538 1895 1379 -140 224 181 C ATOM 1051 C6 DG C 6 49.325 73.916 143.420 1.00 10.76 C ANISOU 1051 C6 DG C 6 1334 1636 1118 -174 215 174 C ATOM 1052 O6 DG C 6 50.560 73.849 143.427 1.00 13.32 O ANISOU 1052 O6 DG C 6 1695 1921 1446 -167 199 173 O ATOM 1053 N1 DG C 6 48.531 72.788 143.188 1.00 12.30 N ANISOU 1053 N1 DG C 6 1515 1860 1299 -219 225 159 N ATOM 1054 C2 DG C 6 47.157 72.771 143.163 1.00 12.43 C ANISOU 1054 C2 DG C 6 1473 1922 1327 -234 243 145 C ATOM 1055 N2 DG C 6 46.568 71.581 142.910 1.00 12.46 N ANISOU 1055 N2 DG C 6 1458 1940 1337 -288 254 119 N ATOM 1056 N3 DG C 6 46.411 73.852 143.363 1.00 11.16 N ANISOU 1056 N3 DG C 6 1270 1789 1183 -198 250 148 N ATOM 1057 C4 DG C 6 47.176 74.952 143.601 1.00 12.75 C ANISOU 1057 C4 DG C 6 1498 1957 1391 -150 239 170 C ATOM 1058 P DC C 7 41.675 77.171 146.403 1.00 31.10 P ANISOU 1058 P DC C 7 3571 4444 3802 -75 394 62 P ATOM 1059 OP1 DC C 7 40.651 77.836 145.565 1.00 28.06 O ANISOU 1059 OP1 DC C 7 3088 4118 3456 -30 358 40 O ATOM 1060 OP2 DC C 7 42.171 77.820 147.641 1.00 28.13 O ANISOU 1060 OP2 DC C 7 3258 4027 3403 -39 422 63 O ATOM 1061 O5' DC C 7 41.153 75.702 146.769 1.00 30.55 O ANISOU 1061 O5' DC C 7 3488 4388 3731 -162 458 46 O ATOM 1062 C5' DC C 7 40.752 74.861 145.698 1.00 23.30 C ANISOU 1062 C5' DC C 7 2511 3501 2842 -210 431 26 C ATOM 1063 C4' DC C 7 41.262 73.456 145.929 1.00 18.11 C ANISOU 1063 C4' DC C 7 1913 2797 2169 -288 468 38 C ATOM 1064 O4' DC C 7 42.673 73.365 145.583 1.00 17.25 O ANISOU 1064 O4' DC C 7 1896 2640 2018 -272 416 75 O ATOM 1065 C3' DC C 7 41.116 72.970 147.366 1.00 20.46 C ANISOU 1065 C3' DC C 7 2266 3061 2448 -321 569 52 C ATOM 1066 O3' DC C 7 40.257 71.822 147.361 1.00 28.75 O ANISOU 1066 O3' DC C 7 3264 4112 3547 -407 637 28 O ATOM 1067 C2' DC C 7 42.550 72.652 147.805 1.00 18.41 C ANISOU 1067 C2' DC C 7 2137 2733 2124 -307 551 96 C ATOM 1068 C1' DC C 7 43.291 72.472 146.488 1.00 18.43 C ANISOU 1068 C1' DC C 7 2136 2732 2135 -309 464 96 C ATOM 1069 N1 DC C 7 44.735 72.818 146.558 1.00 15.57 N ANISOU 1069 N1 DC C 7 1859 2325 1731 -265 414 124 N ATOM 1070 C2 DC C 7 45.682 71.817 146.309 1.00 13.74 C ANISOU 1070 C2 DC C 7 1691 2049 1479 -293 395 135 C ATOM 1071 O2 DC C 7 45.283 70.671 146.041 1.00 12.74 O ANISOU 1071 O2 DC C 7 1556 1915 1370 -353 421 126 O ATOM 1072 N3 DC C 7 47.003 72.139 146.364 1.00 12.41 N ANISOU 1072 N3 DC C 7 1584 1846 1287 -253 350 148 N ATOM 1073 C4 DC C 7 47.380 73.391 146.657 1.00 14.44 C ANISOU 1073 C4 DC C 7 1840 2102 1546 -196 327 147 C ATOM 1074 N4 DC C 7 48.697 73.647 146.706 1.00 10.44 N ANISOU 1074 N4 DC C 7 1379 1556 1034 -166 285 146 N ATOM 1075 C5 DC C 7 46.423 74.425 146.921 1.00 12.88 C ANISOU 1075 C5 DC C 7 1588 1939 1368 -168 346 138 C ATOM 1076 C6 DC C 7 45.123 74.101 146.856 1.00 13.22 C ANISOU 1076 C6 DC C 7 1570 2025 1427 -199 388 127 C ATOM 1077 P DC C 8 39.690 71.204 148.734 1.00 36.17 P ANISOU 1077 P DC C 8 4237 5022 4482 -453 776 45 P ATOM 1078 OP1 DC C 8 38.387 70.578 148.413 1.00 36.72 O ANISOU 1078 OP1 DC C 8 4181 5122 4650 -532 837 -7 O ATOM 1079 OP2 DC C 8 39.771 72.241 149.787 1.00 32.22 O ANISOU 1079 OP2 DC C 8 3781 4537 3924 -378 804 62 O ATOM 1080 O5' DC C 8 40.745 70.052 149.094 1.00 30.28 O ANISOU 1080 O5' DC C 8 3629 4191 3687 -487 796 98 O ATOM 1081 C5' DC C 8 40.980 69.000 148.168 1.00 25.02 C ANISOU 1081 C5' DC C 8 2953 3492 3063 -549 762 84 C ATOM 1082 C4' DC C 8 42.016 68.036 148.722 1.00 23.91 C ANISOU 1082 C4' DC C 8 2955 3262 2866 -558 785 139 C ATOM 1083 O4' DC C 8 43.351 68.567 148.582 1.00 16.67 O ANISOU 1083 O4' DC C 8 2116 2338 1881 -483 689 158 O ATOM 1084 C3' DC C 8 41.866 67.701 150.198 1.00 20.15 C ANISOU 1084 C3' DC C 8 2575 2742 2337 -557 906 192 C ATOM 1085 O3' DC C 8 41.904 66.285 150.294 1.00 24.08 O ANISOU 1085 O3' DC C 8 3132 3156 2860 -628 973 220 O ATOM 1086 C2' DC C 8 43.071 68.365 150.875 1.00 21.56 C ANISOU 1086 C2' DC C 8 2871 2913 2407 -455 848 226 C ATOM 1087 C1' DC C 8 44.105 68.363 149.759 1.00 20.06 C ANISOU 1087 C1' DC C 8 2678 2716 2228 -441 722 207 C ATOM 1088 N1 DC C 8 45.127 69.463 149.782 1.00 15.99 N ANISOU 1088 N1 DC C 8 2191 2221 1664 -353 629 201 N ATOM 1089 C2 DC C 8 46.496 69.163 149.716 1.00 12.79 C ANISOU 1089 C2 DC C 8 1868 1772 1218 -316 561 211 C ATOM 1090 O2 DC C 8 46.863 67.982 149.659 1.00 14.94 O ANISOU 1090 O2 DC C 8 2201 1990 1485 -347 574 230 O ATOM 1091 N3 DC C 8 47.392 70.175 149.734 1.00 12.17 N ANISOU 1091 N3 DC C 8 1798 1708 1120 -248 485 194 N ATOM 1092 C4 DC C 8 46.981 71.448 149.797 1.00 15.14 C ANISOU 1092 C4 DC C 8 2113 2127 1511 -214 475 174 C ATOM 1093 N4 DC C 8 47.904 72.421 149.787 1.00 12.09 N ANISOU 1093 N4 DC C 8 1732 1738 1124 -155 406 153 N ATOM 1094 C5 DC C 8 45.590 71.772 149.867 1.00 17.06 C ANISOU 1094 C5 DC C 8 2281 2415 1785 -240 538 167 C ATOM 1095 C6 DC C 8 44.709 70.761 149.849 1.00 16.85 C ANISOU 1095 C6 DC C 8 2236 2385 1781 -310 613 178 C ATOM 1096 P DT C 9 41.483 65.558 151.663 1.00 33.14 P ANISOU 1096 P DT C 9 4367 4244 3982 -628 1091 281 P ATOM 1097 OP1 DT C 9 40.930 64.229 151.304 1.00 37.72 O ANISOU 1097 OP1 DT C 9 4917 4753 4662 -719 1139 274 O ATOM 1098 OP2 DT C 9 40.717 66.539 152.473 1.00 31.00 O ANISOU 1098 OP2 DT C 9 4053 4040 3683 -585 1142 278 O ATOM 1099 O5' DT C 9 42.870 65.309 152.405 1.00 27.20 O ANISOU 1099 O5' DT C 9 3792 3436 3106 -543 1053 342 O ATOM 1100 C5' DT C 9 43.809 64.476 151.782 1.00 24.73 C ANISOU 1100 C5' DT C 9 3542 3059 2796 -559 997 350 C ATOM 1101 C4' DT C 9 45.134 64.617 152.495 1.00 21.81 C ANISOU 1101 C4' DT C 9 3317 2666 2303 -453 939 389 C ATOM 1102 O4' DT C 9 45.699 65.930 152.279 1.00 20.91 O ANISOU 1102 O4' DT C 9 3172 2626 2148 -389 848 352 O ATOM 1103 C3' DT C 9 45.072 64.440 154.005 1.00 18.17 C ANISOU 1103 C3' DT C 9 2962 2186 1758 -382 996 442 C ATOM 1104 O3' DT C 9 45.761 63.219 154.273 1.00 19.92 O ANISOU 1104 O3' DT C 9 3300 2314 1954 -366 994 486 O ATOM 1105 C2' DT C 9 45.776 65.672 154.582 1.00 17.75 C ANISOU 1105 C2' DT C 9 2949 2194 1600 -276 930 426 C ATOM 1106 C1' DT C 9 46.558 66.172 153.377 1.00 21.53 C ANISOU 1106 C1' DT C 9 3379 2694 2108 -285 827 380 C ATOM 1107 N1 DT C 9 46.843 67.617 153.326 1.00 18.79 N ANISOU 1107 N1 DT C 9 2969 2421 1749 -222 743 329 N ATOM 1108 C2 DT C 9 48.146 68.041 153.173 1.00 17.98 C ANISOU 1108 C2 DT C 9 2895 2318 1620 -152 623 298 C ATOM 1109 O2 DT C 9 49.076 67.265 153.136 1.00 17.48 O ANISOU 1109 O2 DT C 9 2908 2205 1530 -129 579 310 O ATOM 1110 N3 DT C 9 48.331 69.404 153.101 1.00 13.96 N ANISOU 1110 N3 DT C 9 2319 1863 1122 -107 559 249 N ATOM 1111 C4 DT C 9 47.328 70.357 153.163 1.00 15.20 C ANISOU 1111 C4 DT C 9 2393 2074 1309 -117 599 230 C ATOM 1112 O4 DT C 9 47.567 71.558 153.075 1.00 14.01 O ANISOU 1112 O4 DT C 9 2192 1955 1176 -73 540 187 O ATOM 1113 C5 DT C 9 45.980 69.841 153.302 1.00 18.48 C ANISOU 1113 C5 DT C 9 2777 2498 1746 -184 718 259 C ATOM 1114 C7 DT C 9 44.809 70.783 153.367 1.00 22.54 C ANISOU 1114 C7 DT C 9 3190 3075 2299 -193 767 233 C ATOM 1115 C6 DT C 9 45.796 68.512 153.375 1.00 16.62 C ANISOU 1115 C6 DT C 9 2598 2208 1508 -239 788 305 C ATOM 1116 P DC C 10 45.821 62.591 155.750 1.00 26.28 P ANISOU 1116 P DC C 10 4241 3071 2672 -295 1055 553 P ATOM 1117 OP1 DC C 10 46.068 61.145 155.548 1.00 28.89 O ANISOU 1117 OP1 DC C 10 4640 3294 3043 -330 1082 589 O ATOM 1118 OP2 DC C 10 44.653 62.990 156.564 1.00 24.23 O ANISOU 1118 OP2 DC C 10 3941 2854 2410 -307 1156 566 O ATOM 1119 O5' DC C 10 47.153 63.218 156.378 1.00 22.95 O ANISOU 1119 O5' DC C 10 3923 2678 2120 -157 949 546 O ATOM 1120 C5' DC C 10 48.407 62.813 155.892 1.00 18.90 C ANISOU 1120 C5' DC C 10 3472 2124 1586 -117 851 536 C ATOM 1121 C4' DC C 10 49.520 63.707 156.411 1.00 18.81 C ANISOU 1121 C4' DC C 10 3514 2161 1470 8 741 502 C ATOM 1122 O4' DC C 10 49.391 65.036 155.834 1.00 16.80 O ANISOU 1122 O4' DC C 10 3155 1988 1239 -9 702 445 O ATOM 1123 C3' DC C 10 49.505 63.942 157.914 1.00 21.82 C ANISOU 1123 C3' DC C 10 3984 2564 1744 113 760 521 C ATOM 1124 O3' DC C 10 50.308 62.996 158.604 1.00 27.21 O ANISOU 1124 O3' DC C 10 4799 3182 2356 198 733 556 O ATOM 1125 C2' DC C 10 50.101 65.336 158.069 1.00 20.23 C ANISOU 1125 C2' DC C 10 3752 2444 1490 191 663 451 C ATOM 1126 C1' DC C 10 50.122 65.918 156.664 1.00 22.60 C ANISOU 1126 C1' DC C 10 3939 2770 1879 110 626 409 C ATOM 1127 N1 DC C 10 49.511 67.266 156.577 1.00 16.30 N ANISOU 1127 N1 DC C 10 3049 2049 1094 98 639 367 N ATOM 1128 C2 DC C 10 50.341 68.350 156.322 1.00 15.48 C ANISOU 1128 C2 DC C 10 2898 1987 997 153 523 291 C ATOM 1129 O2 DC C 10 51.551 68.135 156.188 1.00 15.21 O ANISOU 1129 O2 DC C 10 2897 1930 953 205 419 261 O ATOM 1130 N3 DC C 10 49.786 69.590 156.231 1.00 15.69 N ANISOU 1130 N3 DC C 10 2823 2072 1066 144 522 245 N ATOM 1131 C4 DC C 10 48.472 69.756 156.393 1.00 15.55 C ANISOU 1131 C4 DC C 10 2765 2081 1061 93 634 272 C ATOM 1132 N4 DC C 10 47.976 70.996 156.298 1.00 15.26 N ANISOU 1132 N4 DC C 10 2632 2099 1067 98 623 223 N ATOM 1133 C5 DC C 10 47.609 68.648 156.666 1.00 18.10 C ANISOU 1133 C5 DC C 10 3132 2371 1375 35 759 345 C ATOM 1134 C6 DC C 10 48.168 67.433 156.744 1.00 16.77 C ANISOU 1134 C6 DC C 10 3044 2134 1193 35 747 387 C TER 1135 DC C 10 HETATM 1136 C1 GOL A 501 64.945 79.888 143.096 1.00 28.17 C ANISOU 1136 C1 GOL A 501 3116 3218 4370 -198 255 -289 C HETATM 1137 O1 GOL A 501 65.612 80.993 143.659 1.00 25.85 O ANISOU 1137 O1 GOL A 501 2739 2839 4245 -217 255 -380 O HETATM 1138 C2 GOL A 501 64.054 80.362 141.951 1.00 26.95 C ANISOU 1138 C2 GOL A 501 3009 3060 4170 -221 358 -143 C HETATM 1139 O2 GOL A 501 62.920 81.044 142.454 1.00 22.59 O ANISOU 1139 O2 GOL A 501 2504 2495 3584 -200 339 -108 O HETATM 1140 C3 GOL A 501 63.611 79.158 141.120 1.00 31.40 C ANISOU 1140 C3 GOL A 501 3636 3712 4583 -208 364 -68 C HETATM 1141 O3 GOL A 501 62.594 79.561 140.226 1.00 31.27 O ANISOU 1141 O3 GOL A 501 3673 3709 4499 -207 429 53 O HETATM 1142 C ACT A 502 55.878 78.243 141.748 1.00 45.92 C ANISOU 1142 C ACT A 502 5760 5818 5870 -97 244 200 C HETATM 1143 O ACT A 502 55.644 77.789 142.893 1.00 38.10 O ANISOU 1143 O ACT A 502 4786 4835 4855 -93 203 150 O HETATM 1144 OXT ACT A 502 56.116 79.469 141.679 1.00 51.92 O ANISOU 1144 OXT ACT A 502 6499 6520 6710 -87 276 214 O HETATM 1145 CH3 ACT A 502 55.872 77.372 140.526 1.00 42.54 C ANISOU 1145 CH3 ACT A 502 5343 5442 5378 -106 259 239 C HETATM 1146 ZN ZN A 503 51.236 89.227 156.608 1.00 19.58 ZN ANISOU 1146 ZN ZN A 503 2426 2250 2764 573 -50 -806 ZN HETATM 1147 ZN ZN A 504 69.164 70.355 144.273 1.00 13.30 ZN ANISOU 1147 ZN ZN A 504 1367 1621 2065 138 -237 -652 ZN HETATM 1148 ZN ZN A 505 47.871 55.551 135.813 1.00 20.78 ZN ANISOU 1148 ZN ZN A 505 2583 2499 2814 -789 40 -634 ZN HETATM 1149 O HOH A 601 55.842 67.172 144.920 1.00 12.88 O ANISOU 1149 O HOH A 601 1966 1641 1286 -159 80 65 O HETATM 1150 O HOH A 602 59.647 69.551 145.108 1.00 9.80 O ANISOU 1150 O HOH A 602 1451 1240 1032 -35 -36 -72 O HETATM 1151 O HOH A 603 54.152 75.602 143.678 1.00 13.06 O ANISOU 1151 O HOH A 603 1677 1755 1530 -110 166 140 O HETATM 1152 O HOH A 604 58.379 59.675 138.612 1.00 13.86 O ANISOU 1152 O HOH A 604 2123 1671 1471 -203 -31 -205 O HETATM 1153 O HOH A 605 56.974 69.557 145.672 1.00 12.17 O ANISOU 1153 O HOH A 605 1809 1567 1247 -88 39 24 O HETATM 1154 O HOH A 606 57.955 76.214 137.694 1.00 19.63 O ANISOU 1154 O HOH A 606 2435 2580 2442 -122 344 282 O HETATM 1155 O HOH A 607 57.567 75.087 135.248 1.00 16.14 O ANISOU 1155 O HOH A 607 2034 2266 1831 -84 373 341 O HETATM 1156 O HOH A 608 55.306 60.100 130.888 1.00 15.29 O ANISOU 1156 O HOH A 608 2027 2359 1424 -179 -113 -466 O HETATM 1157 O HOH A 609 48.902 65.219 135.953 1.00 22.93 O ANISOU 1157 O HOH A 609 2794 3336 2584 -366 10 -152 O HETATM 1158 O HOH A 610 63.197 69.016 147.522 1.00 25.02 O ANISOU 1158 O HOH A 610 3399 3109 2998 179 -258 -300 O HETATM 1159 O HOH A 611 57.036 58.369 131.892 1.00 19.46 O ANISOU 1159 O HOH A 611 2637 2714 2045 -187 -107 -510 O HETATM 1160 O HOH A 612 48.762 84.676 147.022 1.00 15.63 O ANISOU 1160 O HOH A 612 1854 1945 2138 188 231 79 O HETATM 1161 O HOH A 613 50.597 79.836 154.771 1.00 21.00 O ANISOU 1161 O HOH A 613 2892 2809 2276 298 157 -225 O HETATM 1162 O HOH A 614 58.384 76.178 147.457 1.00 19.03 O ANISOU 1162 O HOH A 614 2451 2363 2418 6 -4 -142 O HETATM 1163 O HOH A 615 67.971 72.753 136.269 1.00 22.45 O ANISOU 1163 O HOH A 615 2428 2870 3231 -168 486 -171 O HETATM 1164 O HOH A 616 66.495 69.139 133.555 1.00 24.00 O ANISOU 1164 O HOH A 616 2827 3278 3014 -77 444 -122 O HETATM 1165 O HOH A 617 61.610 74.007 136.616 1.00 12.24 O ANISOU 1165 O HOH A 617 1439 1650 1564 -151 386 152 O HETATM 1166 O HOH A 618 70.034 66.104 139.289 1.00 15.93 O ANISOU 1166 O HOH A 618 1737 2067 2248 118 -44 -574 O HETATM 1167 O HOH A 619 51.062 65.979 137.366 1.00 21.60 O ANISOU 1167 O HOH A 619 2744 3066 2399 -332 67 -37 O HETATM 1168 O HOH A 620 49.324 80.619 157.296 1.00 27.65 O ANISOU 1168 O HOH A 620 3817 3733 2957 446 209 -319 O HETATM 1169 O HOH A 621 59.065 63.995 141.498 1.00 17.33 O ANISOU 1169 O HOH A 621 2509 2174 1899 -133 -10 -69 O HETATM 1170 O HOH A 622 56.537 79.281 151.754 1.00 27.68 O ANISOU 1170 O HOH A 622 3599 3451 3467 185 -75 -324 O HETATM 1171 O HOH A 623 56.321 71.549 132.714 1.00 21.92 O ANISOU 1171 O HOH A 623 2816 3230 2281 -38 258 243 O HETATM 1172 O HOH A 624 52.380 51.727 139.166 1.00 28.38 O ANISOU 1172 O HOH A 624 4146 2849 3789 -675 172 -383 O HETATM 1173 O HOH A 625 57.111 73.639 148.559 1.00 10.25 O ANISOU 1173 O HOH A 625 1507 1311 1077 31 -10 -81 O HETATM 1174 O HOH A 626 63.586 86.231 148.935 1.00 23.88 O ANISOU 1174 O HOH A 626 2453 2325 4294 -80 4 -774 O HETATM 1175 O HOH A 627 62.514 79.706 149.802 1.00 23.58 O ANISOU 1175 O HOH A 627 2769 2748 3442 101 -199 -596 O HETATM 1176 O HOH A 628 55.840 69.256 134.478 1.00 18.54 O ANISOU 1176 O HOH A 628 2387 2749 1908 -128 152 108 O HETATM 1177 O HOH A 629 65.918 62.550 143.019 1.00 22.96 O ANISOU 1177 O HOH A 629 3188 2791 2743 212 -274 -374 O HETATM 1178 O HOH A 630 53.307 74.288 141.525 1.00 23.06 O ANISOU 1178 O HOH A 630 2931 3109 2723 -145 179 192 O HETATM 1179 O HOH A 631 47.991 55.678 128.959 1.00 27.55 O ANISOU 1179 O HOH A 631 3202 3912 3354 -469 -416 -1152 O HETATM 1180 O HOH A 632 71.556 74.096 149.394 1.00 29.27 O ANISOU 1180 O HOH A 632 3112 3572 4437 350 -643 -1225 O HETATM 1181 O HOH A 633 55.480 89.653 146.148 1.00 25.12 O ANISOU 1181 O HOH A 633 2960 2456 4127 68 324 -58 O HETATM 1182 O HOH A 634 54.161 62.600 138.002 1.00 30.64 O ANISOU 1182 O HOH A 634 4069 4001 3573 -337 47 -110 O HETATM 1183 O HOH A 635 50.364 90.403 150.163 1.00 24.07 O ANISOU 1183 O HOH A 635 2881 2585 3679 355 174 -259 O HETATM 1184 O HOH A 636 42.876 66.840 133.321 1.00 32.86 O ANISOU 1184 O HOH A 636 3608 4997 3878 -260 -213 -421 O HETATM 1185 O HOH A 637 61.686 63.407 143.071 1.00 23.37 O ANISOU 1185 O HOH A 637 3334 2862 2683 13 -118 -152 O HETATM 1186 O HOH A 638 48.876 61.174 139.380 1.00 31.59 O ANISOU 1186 O HOH A 638 4065 4055 3884 -594 171 -164 O HETATM 1187 O HOH A 639 51.070 78.103 144.865 1.00 23.81 O ANISOU 1187 O HOH A 639 2986 3149 2911 -46 205 162 O HETATM 1188 O HOH A 640 73.132 68.740 140.508 1.00 32.00 O ANISOU 1188 O HOH A 640 3403 4058 4698 118 -50 -834 O HETATM 1189 O HOH A 641 60.545 75.233 148.466 1.00 25.11 O ANISOU 1189 O HOH A 641 3225 3112 3204 78 -124 -284 O HETATM 1190 O HOH A 642 41.651 50.750 138.089 1.00 43.68 O ANISOU 1190 O HOH A 642 5173 4832 6591 -1396 467 -870 O HETATM 1191 O HOH A 643 51.443 68.440 132.962 1.00 37.83 O ANISOU 1191 O HOH A 643 4747 5390 4237 -111 11 14 O HETATM 1192 O HOH A 644 50.731 82.495 158.499 1.00 29.72 O ANISOU 1192 O HOH A 644 4068 3942 3282 582 54 -538 O HETATM 1193 O HOH A 645 77.132 68.335 140.627 1.00 44.08 O ANISOU 1193 O HOH A 645 4539 5611 6599 224 -123 -1235 O HETATM 1194 O HOH A 646 56.317 66.425 129.152 1.00 43.93 O ANISOU 1194 O HOH A 646 5640 6245 4804 31 99 -65 O HETATM 1195 O HOH A 647 65.489 68.252 149.083 1.00 40.58 O ANISOU 1195 O HOH A 647 5387 5063 4967 371 -454 -480 O HETATM 1196 O HOH A 648 55.042 50.947 137.953 1.00 43.30 O ANISOU 1196 O HOH A 648 6107 4748 5599 -493 25 -481 O HETATM 1197 O HOH A 649 55.155 67.369 131.822 1.00 47.75 O ANISOU 1197 O HOH A 649 6092 6599 5451 -75 86 2 O HETATM 1198 O HOH A 650 56.669 63.836 143.578 1.00 36.40 O ANISOU 1198 O HOH A 650 5027 4536 4267 -186 51 22 O HETATM 1199 O HOH A 651 76.541 73.175 146.606 1.00 33.12 O ANISOU 1199 O HOH A 651 3029 4065 5491 281 -555 -1581 O HETATM 1200 O HOH A 652 57.821 77.528 145.030 1.00 31.66 O ANISOU 1200 O HOH A 652 3965 3945 4121 -70 115 -20 O HETATM 1201 O HOH A 653 72.928 81.153 146.681 1.00 37.59 O ANISOU 1201 O HOH A 653 3566 4215 6502 -156 -84 -1304 O HETATM 1202 O HOH A 654 47.738 75.355 150.149 1.00 15.78 O ANISOU 1202 O HOH A 654 2115 2238 1642 -52 359 97 O HETATM 1203 O HOH A 655 45.195 76.491 149.591 1.00 25.46 O ANISOU 1203 O HOH A 655 3182 3555 2938 -59 425 90 O HETATM 1204 O HOH A 656 47.512 80.376 144.877 1.00 20.09 O ANISOU 1204 O HOH A 656 2408 2757 2467 53 238 186 O HETATM 1205 O HOH A 657 47.361 86.594 148.473 1.00 35.67 O ANISOU 1205 O HOH A 657 4361 4454 4739 301 233 -10 O HETATM 1206 O HOH A 658 62.377 79.467 152.082 1.00 33.68 O ANISOU 1206 O HOH A 658 4136 4081 4581 243 -347 -732 O HETATM 1207 O HOH A 659 45.679 67.821 124.944 1.00 28.46 O ANISOU 1207 O HOH A 659 3357 4976 2479 435 -545 -440 O HETATM 1208 O HOH A 660 45.080 73.742 128.227 1.00 26.39 O ANISOU 1208 O HOH A 660 3164 4477 2386 490 -290 103 O HETATM 1209 O HOH A 661 42.566 72.431 128.520 1.00 36.28 O ANISOU 1209 O HOH A 661 4186 5850 3748 441 -460 -163 O HETATM 1210 O HOH A 662 58.130 50.329 135.745 1.00 35.32 O ANISOU 1210 O HOH A 662 5080 3848 4494 -272 -142 -670 O HETATM 1211 O HOH A 663 63.920 60.352 133.998 1.00 42.58 O ANISOU 1211 O HOH A 663 5533 5561 5083 15 0 -419 O HETATM 1212 O HOH A 664 66.155 61.850 132.783 1.00 37.15 O ANISOU 1212 O HOH A 664 4704 4975 4435 67 123 -436 O HETATM 1213 O HOH A 665 62.343 77.560 138.312 1.00 33.64 O ANISOU 1213 O HOH A 665 4043 4154 4585 -191 460 144 O HETATM 1214 O HOH A 666 63.597 75.357 137.713 1.00 24.28 O ANISOU 1214 O HOH A 666 2846 3049 3331 -184 425 63 O HETATM 1215 O HOH A 667 58.295 94.242 154.156 1.00 40.03 O ANISOU 1215 O HOH A 667 4580 4009 6619 253 -139 -1199 O HETATM 1216 O HOH A 668 66.268 83.191 142.303 1.00 27.62 O ANISOU 1216 O HOH A 668 2860 2882 4754 -323 480 -306 O HETATM 1217 O HOH A 669 69.110 83.745 146.237 1.00 44.00 O ANISOU 1217 O HOH A 669 4630 4876 7211 -261 118 -937 O HETATM 1218 O HOH A 670 66.509 60.406 134.503 1.00 43.59 O ANISOU 1218 O HOH A 670 5586 5665 5312 101 -3 -500 O HETATM 1219 O HOH A 671 48.932 68.901 126.256 1.00 47.22 O ANISOU 1219 O HOH A 671 5925 7117 4898 336 -249 -123 O HETATM 1220 O HOH A 672 46.173 84.674 145.913 1.00 43.04 O ANISOU 1220 O HOH A 672 5261 5547 5546 244 245 151 O HETATM 1221 O HOH A 673 45.605 79.291 149.247 1.00 31.17 O ANISOU 1221 O HOH A 673 3851 4241 3751 54 346 56 O HETATM 1222 O HOH A 674 45.290 80.421 147.025 1.00 37.66 O ANISOU 1222 O HOH A 674 4586 5062 4660 79 293 107 O HETATM 1223 O HOH A 675 53.595 70.380 135.682 1.00 28.69 O ANISOU 1223 O HOH A 675 3643 4039 3220 -146 130 149 O HETATM 1224 O HOH B 101 57.435 70.940 148.064 1.00 14.38 O ANISOU 1224 O HOH B 101 2128 1828 1508 14 -15 -37 O HETATM 1225 O HOH B 102 61.077 70.869 147.427 1.00 18.61 O ANISOU 1225 O HOH B 102 2559 2323 2190 84 -147 -202 O HETATM 1226 O HOH B 103 45.402 67.973 143.027 1.00 19.48 O ANISOU 1226 O HOH B 103 2341 2769 2290 -471 331 44 O HETATM 1227 O HOH B 104 56.206 69.203 156.051 1.00 24.22 O ANISOU 1227 O HOH B 104 3994 3073 2136 448 -24 -2 O HETATM 1228 O HOH B 105 49.254 75.430 152.251 1.00 23.55 O ANISOU 1228 O HOH B 105 3244 3179 2524 53 316 43 O HETATM 1229 O HOH B 106 57.030 74.882 150.941 1.00 19.62 O ANISOU 1229 O HOH B 106 2739 2497 2220 144 -67 -179 O HETATM 1230 O HOH B 107 45.723 65.719 144.510 1.00 30.90 O ANISOU 1230 O HOH B 107 3927 4060 3754 -564 443 73 O HETATM 1231 O HOH B 108 48.078 65.125 146.926 1.00 23.89 O ANISOU 1231 O HOH B 108 3333 3022 2721 -462 473 187 O HETATM 1232 O HOH B 109 50.054 77.072 154.514 1.00 25.08 O ANISOU 1232 O HOH B 109 3508 3370 2651 217 249 -83 O HETATM 1233 O HOH B 110 53.254 64.892 141.474 1.00 23.84 O ANISOU 1233 O HOH B 110 3249 3095 2712 -331 128 37 O HETATM 1234 O HOH B 111 60.417 73.290 150.191 1.00 23.96 O ANISOU 1234 O HOH B 111 3251 3001 2852 185 -208 -296 O HETATM 1235 O HOH B 112 52.231 64.040 138.889 1.00 30.90 O ANISOU 1235 O HOH B 112 4042 4081 3619 -377 91 -49 O HETATM 1236 O HOH B 113 42.294 71.159 131.322 1.00 27.45 O ANISOU 1236 O HOH B 113 2959 4553 2917 141 -337 -232 O HETATM 1237 O HOH B 114 61.183 73.843 156.959 1.00 35.60 O ANISOU 1237 O HOH B 114 5048 4567 3911 703 -546 -620 O HETATM 1238 O HOH B 115 52.009 65.262 150.735 1.00 27.98 O ANISOU 1238 O HOH B 115 4259 3423 2950 -140 362 261 O HETATM 1239 O HOH B 116 47.659 61.033 152.037 1.00 33.45 O ANISOU 1239 O HOH B 116 5092 3859 3760 -440 867 464 O HETATM 1240 O HOH B 117 51.582 68.449 135.663 1.00 23.02 O ANISOU 1240 O HOH B 117 2889 3367 2491 -208 61 44 O HETATM 1241 O HOH B 118 53.958 64.553 151.781 1.00 39.15 O ANISOU 1241 O HOH B 118 5838 4776 4261 12 259 253 O HETATM 1242 O HOH B 119 42.974 71.325 141.027 1.00 39.11 O ANISOU 1242 O HOH B 119 4562 5502 4797 -316 212 -7 O HETATM 1243 O HOH B 120 49.046 59.912 141.638 1.00 33.56 O ANISOU 1243 O HOH B 120 4474 4106 4170 -645 295 -72 O HETATM 1244 O HOH B 121 52.870 79.851 127.170 1.00 42.72 O ANISOU 1244 O HOH B 121 5743 5947 4542 535 490 905 O HETATM 1245 O HOH B 122 56.667 61.746 149.969 1.00 30.41 O ANISOU 1245 O HOH B 122 4797 3528 3231 55 101 192 O HETATM 1246 O HOH B 123 50.087 63.832 149.318 1.00 37.32 O ANISOU 1246 O HOH B 123 5346 4568 4265 -333 487 279 O HETATM 1247 O HOH B 124 54.610 67.363 153.525 1.00 27.66 O ANISOU 1247 O HOH B 124 4351 3440 2720 178 157 156 O HETATM 1248 O HOH B 125 48.471 63.530 151.345 1.00 44.61 O ANISOU 1248 O HOH B 125 6372 5453 5126 -352 690 374 O HETATM 1249 O HOH B 126 50.084 62.786 138.524 1.00 31.87 O ANISOU 1249 O HOH B 126 4093 4204 3815 -480 105 -128 O HETATM 1250 O HOH B 127 38.125 68.559 135.722 1.00 32.70 O ANISOU 1250 O HOH B 127 3190 5077 4156 -328 -137 -540 O HETATM 1251 O HOH B 128 53.029 60.029 147.002 1.00 42.09 O ANISOU 1251 O HOH B 128 6079 4961 4951 -324 321 204 O HETATM 1252 O HOH B 129 59.913 64.132 144.413 1.00 39.35 O ANISOU 1252 O HOH B 129 5418 4881 4654 -24 -73 -66 O HETATM 1253 O HOH B 130 61.116 76.838 150.193 1.00 29.99 O ANISOU 1253 O HOH B 130 3802 3694 3898 157 -212 -441 O HETATM 1254 O HOH B 131 44.663 74.758 125.488 1.00 30.25 O ANISOU 1254 O HOH B 131 3767 5162 2566 810 -390 169 O HETATM 1255 O HOH B 132 42.843 77.301 126.439 1.00 51.87 O ANISOU 1255 O HOH B 132 6457 7864 5387 943 -421 279 O HETATM 1256 O HOH B 133 52.928 79.197 156.080 1.00 33.60 O ANISOU 1256 O HOH B 133 4592 4378 3796 399 11 -345 O HETATM 1257 O HOH B 134 47.892 77.222 156.455 1.00 36.98 O ANISOU 1257 O HOH B 134 5075 4967 4010 281 406 -76 O HETATM 1258 O HOH B 135 44.497 77.523 134.850 1.00 37.23 O ANISOU 1258 O HOH B 135 4453 5430 4262 256 -23 286 O HETATM 1259 O HOH C 101 53.181 79.562 143.742 1.00 14.93 O ANISOU 1259 O HOH C 101 1840 1913 1919 -38 216 181 O HETATM 1260 O HOH C 102 46.516 65.308 148.983 1.00 25.75 O ANISOU 1260 O HOH C 102 3612 3245 2926 -481 648 249 O HETATM 1261 O HOH C 103 50.782 64.961 152.986 1.00 28.64 O ANISOU 1261 O HOH C 103 4501 3478 2902 -98 520 354 O HETATM 1262 O HOH C 104 51.835 75.735 144.908 1.00 25.93 O ANISOU 1262 O HOH C 104 3312 3436 3103 -102 188 146 O HETATM 1263 O HOH C 105 53.894 67.006 128.206 1.00 34.87 O ANISOU 1263 O HOH C 105 4468 5232 3549 95 5 -74 O HETATM 1264 O HOH C 106 54.352 79.207 129.791 1.00 37.22 O ANISOU 1264 O HOH C 106 4922 5104 4117 296 536 800 O HETATM 1265 O HOH C 107 45.245 60.636 153.374 1.00 30.84 O ANISOU 1265 O HOH C 107 4693 3521 3506 -521 1085 511 O HETATM 1266 O HOH C 108 42.377 68.243 154.381 1.00 34.13 O ANISOU 1266 O HOH C 108 4669 4481 3819 -362 1082 326 O HETATM 1267 O HOH C 109 43.699 73.667 142.963 1.00 26.10 O ANISOU 1267 O HOH C 109 3002 3793 3123 -222 269 87 O HETATM 1268 O HOH C 110 43.823 69.308 144.335 1.00 29.49 O ANISOU 1268 O HOH C 110 3536 4087 3582 -455 411 54 O HETATM 1269 O HOH C 111 55.659 77.277 127.394 1.00 31.78 O ANISOU 1269 O HOH C 111 4289 4572 3213 344 575 758 O HETATM 1270 O HOH C 112 50.865 70.552 131.933 1.00 37.33 O ANISOU 1270 O HOH C 112 4682 5411 4091 8 23 120 O HETATM 1271 O HOH C 113 51.204 79.993 133.538 1.00 33.60 O ANISOU 1271 O HOH C 113 4313 4592 3860 234 320 644 O HETATM 1272 O HOH C 114 52.933 66.137 154.672 1.00 35.88 O ANISOU 1272 O HOH C 114 5543 4437 3652 150 340 285 O HETATM 1273 O HOH C 115 40.854 71.184 154.062 1.00 46.28 O ANISOU 1273 O HOH C 115 5962 6201 5423 -303 1068 205 O HETATM 1274 O HOH C 116 50.477 69.442 124.301 1.00 29.05 O ANISOU 1274 O HOH C 116 3768 4906 2365 500 -170 -20 O HETATM 1275 O HOH C 117 46.486 73.992 153.421 1.00 16.30 O ANISOU 1275 O HOH C 117 2355 2327 1510 -11 541 119 O HETATM 1276 O HOH C 118 61.280 76.460 135.245 1.00 39.35 O ANISOU 1276 O HOH C 118 4871 5037 5043 -142 553 315 O HETATM 1277 O HOH C 119 44.191 64.088 147.658 1.00 41.02 O ANISOU 1277 O HOH C 119 5345 5181 5060 -676 747 173 O HETATM 1278 O HOH C 120 62.545 72.807 134.520 1.00 26.62 O ANISOU 1278 O HOH C 120 3263 3555 3296 -128 460 156 O HETATM 1279 O HOH C 121 61.210 73.720 132.833 1.00 34.01 O ANISOU 1279 O HOH C 121 4263 4560 4098 -82 536 299 O HETATM 1280 O HOH C 122 52.472 66.518 126.073 1.00 37.78 O ANISOU 1280 O HOH C 122 4828 5797 3728 228 -118 -186 O HETATM 1281 O HOH C 123 53.516 68.153 123.840 1.00 33.38 O ANISOU 1281 O HOH C 123 4397 5383 2903 443 -7 -23 O HETATM 1282 O HOH C 124 44.369 77.622 137.833 1.00 38.01 O ANISOU 1282 O HOH C 124 4514 5412 4516 122 65 242 O CONECT 30 1148 CONECT 65 1148 CONECT 167 1148 CONECT 203 1148 CONECT 267 1147 CONECT 307 1147 CONECT 420 1147 CONECT 460 1147 CONECT 521 1146 CONECT 545 1146 CONECT 652 1146 CONECT 682 1146 CONECT 766 797 CONECT 780 781 786 789 CONECT 781 780 782 787 CONECT 782 781 783 CONECT 783 782 784 788 CONECT 784 783 785 786 CONECT 785 784 CONECT 786 780 784 CONECT 787 781 CONECT 788 783 CONECT 789 780 790 793 CONECT 790 789 791 CONECT 791 790 792 794 CONECT 792 791 793 795 CONECT 793 789 792 CONECT 794 791 800 CONECT 795 792 796 CONECT 796 795 797 CONECT 797 766 796 798 799 CONECT 798 797 CONECT 799 797 CONECT 800 794 CONECT 979 1030 CONECT 980 1031 CONECT 1005 1006 1011 1015 CONECT 1006 1005 1007 1012 CONECT 1007 1006 1008 CONECT 1008 1007 1009 1013 1014 CONECT 1009 1008 1010 1011 CONECT 1010 1009 CONECT 1011 1005 1009 CONECT 1012 1006 CONECT 1013 1008 CONECT 1014 1008 CONECT 1015 1005 1016 1017 1022 CONECT 1015 1023 CONECT 1016 1015 1018 CONECT 1017 1015 1019 CONECT 1018 1016 1020 1024 CONECT 1019 1017 1021 1025 CONECT 1020 1018 1022 1026 CONECT 1021 1019 1023 1027 CONECT 1022 1015 1020 CONECT 1023 1015 1021 CONECT 1024 1018 1036 CONECT 1025 1019 1036 CONECT 1026 1020 1028 CONECT 1027 1021 1029 CONECT 1028 1026 1030 CONECT 1029 1027 1031 CONECT 1030 979 1028 1032 1034 CONECT 1031 980 1029 1033 1035 CONECT 1032 1030 CONECT 1033 1031 CONECT 1034 1030 CONECT 1035 1031 CONECT 1036 1024 1025 CONECT 1136 1137 1138 CONECT 1137 1136 CONECT 1138 1136 1139 1140 CONECT 1139 1138 CONECT 1140 1138 1141 CONECT 1141 1140 CONECT 1142 1143 1144 1145 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1142 CONECT 1146 521 545 652 682 CONECT 1147 267 307 420 460 CONECT 1148 30 65 167 203 MASTER 374 0 7 3 6 0 6 6 1247 3 82 9 END
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Related entries of code: 4m9e
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Protein Sequence Similarity
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93aa, >5KE6_1|Chain... *
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93aa, >5KEB_1|Chain... at 98%
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
4m9e
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Klf4 zinc finger DNA binding domain
Ligand Name
10-bp methylated dsDNA
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=30nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Nucleic Acids Res. Vol. 42: pp. 4859-4867
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):
Q60793
Entrez Gene ID
NCBI Entrez Gene ID:
16600
ASD
Information of known allosteric effects of PDB entries
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