Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION FACTOR/DNA 09-JUN-16 5KEB TITLE MOUSE KLF4 ZNF1-3 (E446D) AND CPG/CPG SEQUENCE DNA COMPLEX STRUCTURE: TITLE 2 FORM II 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 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: DNA (5'-D(*GP*AP*GP*GP*CP*GP*TP*GP*GP*C)-3'); COMPND 11 CHAIN: B; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 3; COMPND 14 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*CP*GP*CP*CP*TP*C)-3'); COMPND 15 CHAIN: C; COMPND 16 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: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) CODON PLUS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-6P-1; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PXC1411; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 14 ORGANISM_TAXID: 32630; SOURCE 15 MOL_ID: 3; SOURCE 16 SYNTHETIC: YES; SOURCE 17 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 18 ORGANISM_TAXID: 32630 KEYWDS KLF4, ZINC FINGER, KRUPPEL-LIKE FACTORS, TRANSCRIPTION FACTOR-DNA KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR H.HASHIMOTO,X.CHENG REVDAT 5 25-DEC-19 5KEB 1 REMARK REVDAT 4 20-SEP-17 5KEB 1 REMARK REVDAT 3 14-DEC-16 5KEB 1 JRNL REVDAT 2 21-SEP-16 5KEB 1 JRNL REVDAT 1 14-SEP-16 5KEB 0 JRNL AUTH H.HASHIMOTO,D.WANG,A.N.STEVES,P.JIN,R.M.BLUMENTHAL,X.ZHANG, JRNL AUTH 2 X.CHENG JRNL TITL DISTINCTIVE KLF4 MUTANTS DETERMINE PREFERENCE FOR DNA JRNL TITL 2 METHYLATION STATUS. JRNL REF NUCLEIC ACIDS RES. V. 44 10177 2016 JRNL REFN ESSN 1362-4962 JRNL PMID 27596594 JRNL DOI 10.1093/NAR/GKW774 REMARK 2 REMARK 2 RESOLUTION. 2.45 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (DEV_2400: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 47.64 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.450 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 6710 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.251 REMARK 3 R VALUE (WORKING SET) : 0.248 REMARK 3 FREE R VALUE : 0.286 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.020 REMARK 3 FREE R VALUE TEST SET COUNT : 337 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 47.6511 - 3.0910 0.99 3336 176 0.2231 0.2580 REMARK 3 2 3.0910 - 2.4534 0.96 3037 161 0.3551 0.3945 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) : 0.390 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 35.290 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 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 : 0.004 1187 REMARK 3 ANGLE : 0.496 1663 REMARK 3 CHIRALITY : 0.032 168 REMARK 3 PLANARITY : 0.001 144 REMARK 3 DIHEDRAL : 27.476 453 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 4 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 400 THROUGH 443 ) REMARK 3 ORIGIN FOR THE GROUP (A): -17.5182 -10.3705 4.8907 REMARK 3 T TENSOR REMARK 3 T11: 0.4990 T22: 0.4096 REMARK 3 T33: 0.5500 T12: -0.0436 REMARK 3 T13: 0.0693 T23: -0.0105 REMARK 3 L TENSOR REMARK 3 L11: 3.3089 L22: 3.4675 REMARK 3 L33: 5.0757 L12: -1.5831 REMARK 3 L13: 0.0395 L23: 0.8058 REMARK 3 S TENSOR REMARK 3 S11: 0.1505 S12: -0.0195 S13: 0.1425 REMARK 3 S21: 0.3676 S22: 0.1982 S23: -0.0968 REMARK 3 S31: 0.1629 S32: -0.2755 S33: -0.3183 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 444 THROUGH 483 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.1308 8.8267 19.3369 REMARK 3 T TENSOR REMARK 3 T11: 0.4987 T22: 0.6197 REMARK 3 T33: 0.6672 T12: -0.0201 REMARK 3 T13: -0.0411 T23: -0.0980 REMARK 3 L TENSOR REMARK 3 L11: 2.9579 L22: 6.4429 REMARK 3 L33: 3.6224 L12: -0.6936 REMARK 3 L13: 0.0418 L23: 1.3245 REMARK 3 S TENSOR REMARK 3 S11: -0.3053 S12: -0.2491 S13: 0.6876 REMARK 3 S21: 0.5491 S22: 0.5605 S23: -0.3954 REMARK 3 S31: 0.0726 S32: -0.1275 S33: -0.3117 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 10 ) REMARK 3 ORIGIN FOR THE GROUP (A): -24.4897 -1.3856 10.3496 REMARK 3 T TENSOR REMARK 3 T11: 0.5290 T22: 0.6118 REMARK 3 T33: 0.4979 T12: 0.0369 REMARK 3 T13: -0.0131 T23: -0.0265 REMARK 3 L TENSOR REMARK 3 L11: 0.7969 L22: 1.8667 REMARK 3 L33: 3.3121 L12: 0.3290 REMARK 3 L13: -0.3250 L23: -0.4610 REMARK 3 S TENSOR REMARK 3 S11: 0.0693 S12: 0.1270 S13: -0.0122 REMARK 3 S21: 0.3365 S22: 0.3246 S23: 0.0546 REMARK 3 S31: -0.1473 S32: -0.3954 S33: -0.4405 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 10 ) REMARK 3 ORIGIN FOR THE GROUP (A): -24.7417 0.0840 11.2245 REMARK 3 T TENSOR REMARK 3 T11: 0.6631 T22: 0.6210 REMARK 3 T33: 0.5513 T12: -0.0958 REMARK 3 T13: 0.0214 T23: 0.0018 REMARK 3 L TENSOR REMARK 3 L11: 1.6990 L22: 1.3147 REMARK 3 L33: 2.6144 L12: -1.3283 REMARK 3 L13: -0.8342 L23: 0.2568 REMARK 3 S TENSOR REMARK 3 S11: 0.3009 S12: 0.0184 S13: 0.4163 REMARK 3 S21: 0.1119 S22: 0.1205 S23: -0.1292 REMARK 3 S31: -0.7612 S32: 0.0726 S33: -0.3612 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 5KEB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JUN-16. REMARK 100 THE DEPOSITION ID IS D_1000222055. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-APR-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX300-HS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6808 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 REMARK 200 RESOLUTION RANGE LOW (A) : 47.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 200 DATA REDUNDANCY : 7.100 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 20.3700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.45 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.52 REMARK 200 COMPLETENESS FOR SHELL (%) : 73.2 REMARK 200 DATA REDUNDANCY IN SHELL : 2.40 REMARK 200 R MERGE FOR SHELL (I) : 0.39000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 4M9E REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.54 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS-HCL PH8.5 , 0.25M NACL AND REMARK 280 20% POLYETHYLENE GLYCOL 8000, VAPOR DIFFUSION, HANGING 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 65.79000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 25.55500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 25.55500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 98.68500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 25.55500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 25.55500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 32.89500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 25.55500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 25.55500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 98.68500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 25.55500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 25.55500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 32.89500 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 65.79000 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: 2960 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8470 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 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 GLY A 391 REMARK 465 PRO A 392 REMARK 465 LEU A 393 REMARK 465 GLY A 394 REMARK 465 SER A 395 REMARK 465 ARG A 396 REMARK 465 THR A 397 REMARK 465 ALA A 398 REMARK 465 THR A 399 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 CYS A 402 SG REMARK 620 2 CYS A 407 SG 90.5 REMARK 620 3 HIS A 420 NE2 110.7 94.4 REMARK 620 4 HIS A 424 NE2 126.5 126.0 104.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 502 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 432 SG REMARK 620 2 CYS A 437 SG 104.4 REMARK 620 3 HIS A 450 NE2 131.3 95.4 REMARK 620 4 HIS A 454 NE2 123.4 102.8 93.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 501 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 462 SG REMARK 620 2 CYS A 465 SG 119.3 REMARK 620 3 HIS A 478 NE2 124.6 115.3 REMARK 620 4 HIS A 482 NE2 103.9 82.2 91.8 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 ZN A 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5KE6 RELATED DB: PDB REMARK 900 RELATED ID: 5KE7 RELATED DB: PDB REMARK 900 RELATED ID: 5KE8 RELATED DB: PDB REMARK 900 RELATED ID: 5KE9 RELATED DB: PDB REMARK 900 RELATED ID: 5KEA RELATED DB: PDB DBREF 5KEB A 396 483 UNP Q60793 KLF4_MOUSE 396 483 DBREF 5KEB B 1 10 PDB 5KEB 5KEB 1 10 DBREF 5KEB C 1 10 PDB 5KEB 5KEB 1 10 SEQADV 5KEB GLY A 391 UNP Q60793 EXPRESSION TAG SEQADV 5KEB PRO A 392 UNP Q60793 EXPRESSION TAG SEQADV 5KEB LEU A 393 UNP Q60793 EXPRESSION TAG SEQADV 5KEB GLY A 394 UNP Q60793 EXPRESSION TAG SEQADV 5KEB SER A 395 UNP Q60793 EXPRESSION TAG SEQADV 5KEB ASP A 446 UNP Q60793 GLU 446 ENGINEERED MUTATION SEQRES 1 A 93 GLY PRO LEU GLY SER ARG THR ALA THR HIS THR CYS ASP SEQRES 2 A 93 TYR ALA GLY CYS GLY LYS THR TYR THR LYS SER SER HIS SEQRES 3 A 93 LEU LYS ALA HIS LEU ARG THR HIS THR GLY GLU LYS PRO SEQRES 4 A 93 TYR HIS CYS ASP TRP ASP GLY CYS GLY TRP LYS PHE ALA SEQRES 5 A 93 ARG SER ASP ASP LEU THR ARG HIS TYR ARG LYS HIS THR SEQRES 6 A 93 GLY HIS ARG PRO PHE GLN CYS GLN LYS CYS ASP ARG ALA SEQRES 7 A 93 PHE SER ARG SER ASP HIS LEU ALA LEU HIS MET LYS ARG SEQRES 8 A 93 HIS PHE SEQRES 1 B 10 DG DA DG DG DC DG DT DG DG DC SEQRES 1 C 10 DG DC DC DA DC DG DC DC DT DC HET ZN A 501 1 HET ZN A 502 1 HET ZN A 503 1 HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *5(H2 O) HELIX 1 AA1 LYS A 413 GLY A 426 1 14 HELIX 2 AA2 ARG A 443 GLY A 456 1 14 HELIX 3 AA3 ARG A 471 PHE A 483 1 13 SHEET 1 AA1 2 TYR A 430 HIS A 431 0 SHEET 2 AA1 2 LYS A 440 PHE A 441 -1 O PHE A 441 N TYR A 430 SHEET 1 AA2 2 PHE A 460 GLN A 461 0 SHEET 2 AA2 2 ALA A 468 PHE A 469 -1 O PHE A 469 N PHE A 460 LINK SG CYS A 402 ZN ZN A 503 1555 1555 2.28 LINK SG CYS A 407 ZN ZN A 503 1555 1555 2.28 LINK NE2 HIS A 420 ZN ZN A 503 1555 1555 2.02 LINK NE2 HIS A 424 ZN ZN A 503 1555 1555 2.03 LINK SG CYS A 432 ZN ZN A 502 1555 1555 2.28 LINK SG CYS A 437 ZN ZN A 502 1555 1555 2.25 LINK NE2 HIS A 450 ZN ZN A 502 1555 1555 2.04 LINK NE2 HIS A 454 ZN ZN A 502 1555 1555 2.04 LINK SG CYS A 462 ZN ZN A 501 1555 1555 2.27 LINK SG CYS A 465 ZN ZN A 501 1555 1555 2.32 LINK NE2 HIS A 478 ZN ZN A 501 1555 1555 2.02 LINK NE2 HIS A 482 ZN ZN A 501 1555 1555 2.07 SITE 1 AC1 4 CYS A 462 CYS A 465 HIS A 478 HIS A 482 SITE 1 AC2 4 CYS A 432 CYS A 437 HIS A 450 HIS A 454 SITE 1 AC3 4 CYS A 402 CYS A 407 HIS A 420 HIS A 424 CRYST1 51.110 51.110 131.580 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 0.019566 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019566 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007600 0.00000 ATOM 1 N HIS A 400 -31.605 -12.633 -4.470 1.00 76.90 N ANISOU 1 N HIS A 400 7394 11883 9943 -767 140 147 N ATOM 2 CA HIS A 400 -30.439 -12.694 -3.597 1.00 77.16 C ANISOU 2 CA HIS A 400 7753 11535 10028 -831 282 213 C ATOM 3 C HIS A 400 -30.690 -13.615 -2.410 1.00 87.15 C ANISOU 3 C HIS A 400 9017 12680 11415 -1192 352 222 C ATOM 4 O HIS A 400 -31.527 -13.321 -1.558 1.00 87.54 O ANISOU 4 O HIS A 400 8871 12892 11500 -1244 498 298 O ATOM 5 CB HIS A 400 -30.071 -11.300 -3.091 1.00 70.49 C ANISOU 5 CB HIS A 400 7001 10636 9148 -530 487 351 C ATOM 6 CG HIS A 400 -29.638 -10.358 -4.169 1.00 67.88 C ANISOU 6 CG HIS A 400 6755 10333 8702 -187 465 388 C ATOM 7 ND1 HIS A 400 -30.431 -9.320 -4.610 1.00 68.79 N ANISOU 7 ND1 HIS A 400 6704 10704 8730 113 492 458 N ATOM 8 CD2 HIS A 400 -28.495 -10.291 -4.892 1.00 65.63 C ANISOU 8 CD2 HIS A 400 6714 9856 8366 -87 437 380 C ATOM 9 CE1 HIS A 400 -29.796 -8.655 -5.557 1.00 67.72 C ANISOU 9 CE1 HIS A 400 6738 10505 8489 375 486 510 C ATOM 10 NE2 HIS A 400 -28.619 -9.223 -5.748 1.00 66.80 N ANISOU 10 NE2 HIS A 400 6856 10129 8395 246 465 465 N ATOM 11 HA HIS A 400 -29.685 -13.043 -4.097 1.00 92.46 H ATOM 12 HB2 HIS A 400 -30.851 -10.916 -2.665 1.00 84.47 H ATOM 13 HB3 HIS A 400 -29.346 -11.377 -2.451 1.00 84.47 H ATOM 14 HD1 HIS A 400 -31.216 -9.134 -4.313 1.00 82.43 H ATOM 15 HD2 HIS A 400 -27.763 -10.860 -4.822 1.00 78.63 H ATOM 16 HE1 HIS A 400 -30.123 -7.914 -6.014 1.00 81.14 H ATOM 17 N THR A 401 -29.960 -14.727 -2.354 1.00 93.92 N ANISOU 17 N THR A 401 10110 13253 12322 -1419 261 151 N ATOM 18 CA THR A 401 -30.087 -15.664 -1.248 1.00 92.36 C ANISOU 18 CA THR A 401 9990 12882 12220 -1752 330 186 C ATOM 19 C THR A 401 -28.750 -16.353 -1.020 1.00 82.78 C ANISOU 19 C THR A 401 9169 11271 11012 -1795 281 156 C ATOM 20 O THR A 401 -28.033 -16.665 -1.974 1.00 84.78 O ANISOU 20 O THR A 401 9559 11422 11232 -1708 122 44 O ATOM 21 CB THR A 401 -31.183 -16.705 -1.513 1.00 93.54 C ANISOU 21 CB THR A 401 9908 13171 12460 -2103 214 101 C ATOM 22 OG1 THR A 401 -31.239 -17.634 -0.423 1.00 93.00 O ANISOU 22 OG1 THR A 401 9972 12883 12483 -2440 312 171 O ATOM 23 CG2 THR A 401 -30.918 -17.457 -2.810 1.00 94.39 C ANISOU 23 CG2 THR A 401 10083 13224 12556 -2144 -61 -87 C ATOM 24 H THR A 401 -29.383 -14.960 -2.947 1.00112.58 H ATOM 25 HA THR A 401 -30.319 -15.178 -0.441 1.00110.70 H ATOM 26 HB THR A 401 -32.038 -16.255 -1.593 1.00112.12 H ATOM 27 HG1 THR A 401 -31.838 -18.206 -0.564 1.00111.48 H ATOM 28 HG21 THR A 401 -31.597 -18.138 -2.940 1.00113.14 H ATOM 29 HG22 THR A 401 -30.943 -16.843 -3.560 1.00113.14 H ATOM 30 HG23 THR A 401 -30.049 -17.884 -2.780 1.00113.14 H ATOM 31 N CYS A 402 -28.426 -16.586 0.249 1.00 69.18 N ANISOU 31 N CYS A 402 7623 9350 9314 -1900 417 254 N ATOM 32 CA CYS A 402 -27.194 -17.276 0.610 1.00 61.84 C ANISOU 32 CA CYS A 402 7057 8057 8381 -1918 363 229 C ATOM 33 C CYS A 402 -27.349 -18.763 0.321 1.00 66.35 C ANISOU 33 C CYS A 402 7744 8446 9019 -2217 204 145 C ATOM 34 O CYS A 402 -28.219 -19.426 0.896 1.00 69.48 O ANISOU 34 O CYS A 402 8075 8843 9482 -2521 260 206 O ATOM 35 CB CYS A 402 -26.863 -17.044 2.081 1.00 54.63 C ANISOU 35 CB CYS A 402 6304 7014 7440 -1905 538 357 C ATOM 36 SG CYS A 402 -25.433 -17.977 2.656 1.00 49.41 S ANISOU 36 SG CYS A 402 6079 5936 6759 -1906 448 329 S ATOM 37 H CYS A 402 -28.907 -16.353 0.923 1.00 82.89 H ATOM 38 HA CYS A 402 -26.462 -16.935 0.073 1.00 74.08 H ATOM 39 HB2 CYS A 402 -26.676 -16.102 2.215 1.00 65.43 H ATOM 40 HB3 CYS A 402 -27.626 -17.308 2.619 1.00 65.43 H ATOM 41 N ASP A 403 -26.503 -19.285 -0.567 1.00 62.19 N ANISOU 41 N ASP A 403 7398 7757 8476 -2134 19 3 N ATOM 42 CA ASP A 403 -26.584 -20.671 -1.009 1.00 68.10 C ANISOU 42 CA ASP A 403 8291 8300 9283 -2375 -165 -119 C ATOM 43 C ASP A 403 -25.566 -21.566 -0.310 1.00 69.10 C ANISOU 43 C ASP A 403 8820 8022 9411 -2399 -195 -106 C ATOM 44 O ASP A 403 -25.103 -22.550 -0.895 1.00 64.47 O ANISOU 44 O ASP A 403 8448 7209 8838 -2436 -378 -248 O ATOM 45 CB ASP A 403 -26.398 -20.745 -2.524 1.00 69.46 C ANISOU 45 CB ASP A 403 8412 8573 9406 -2237 -369 -313 C ATOM 46 CG ASP A 403 -27.322 -19.804 -3.271 1.00 69.86 C ANISOU 46 CG ASP A 403 8092 9034 9416 -2139 -362 -321 C ATOM 47 OD1 ASP A 403 -28.520 -19.750 -2.925 1.00 70.06 O ANISOU 47 OD1 ASP A 403 7854 9255 9510 -2346 -305 -267 O ATOM 48 OD2 ASP A 403 -26.849 -19.114 -4.199 1.00 66.38 O ANISOU 48 OD2 ASP A 403 7625 8730 8867 -1842 -405 -373 O ATOM 49 H ASP A 403 -25.862 -18.845 -0.933 1.00 74.51 H ATOM 50 HA ASP A 403 -27.468 -21.014 -0.804 1.00 81.59 H ATOM 51 HB2 ASP A 403 -25.483 -20.509 -2.744 1.00 83.23 H ATOM 52 HB3 ASP A 403 -26.590 -21.648 -2.818 1.00 83.23 H ATOM 53 N TYR A 404 -25.211 -21.249 0.933 1.00 85.31 N ANISOU 53 N TYR A 404 10994 9984 11434 -2349 -32 49 N ATOM 54 CA TYR A 404 -24.239 -22.046 1.669 1.00 87.33 C ANISOU 54 CA TYR A 404 11637 9882 11664 -2321 -73 71 C ATOM 55 C TYR A 404 -24.928 -23.309 2.192 1.00 91.37 C ANISOU 55 C TYR A 404 12319 10154 12244 -2685 -78 142 C ATOM 56 O TYR A 404 -26.072 -23.610 1.840 1.00 94.28 O ANISOU 56 O TYR A 404 12482 10637 12705 -2978 -74 133 O ATOM 57 CB TYR A 404 -23.601 -21.207 2.776 1.00 81.98 C ANISOU 57 CB TYR A 404 11025 9220 10905 -2111 76 189 C ATOM 58 CG TYR A 404 -22.258 -21.732 3.237 1.00 75.96 C ANISOU 58 CG TYR A 404 10609 8167 10085 -1928 -22 151 C ATOM 59 CD1 TYR A 404 -21.184 -21.813 2.360 1.00 72.63 C ANISOU 59 CD1 TYR A 404 10251 7687 9659 -1703 -177 -18 C ATOM 60 CD2 TYR A 404 -22.064 -22.150 4.547 1.00 74.22 C ANISOU 60 CD2 TYR A 404 10646 7755 9798 -1957 43 285 C ATOM 61 CE1 TYR A 404 -19.958 -22.297 2.773 1.00 72.27 C ANISOU 61 CE1 TYR A 404 10481 7415 9564 -1509 -276 -70 C ATOM 62 CE2 TYR A 404 -20.841 -22.636 4.969 1.00 74.06 C ANISOU 62 CE2 TYR A 404 10935 7494 9711 -1750 -75 241 C ATOM 63 CZ TYR A 404 -19.791 -22.707 4.077 1.00 71.83 C ANISOU 63 CZ TYR A 404 10675 7173 9446 -1525 -240 55 C ATOM 64 OH TYR A 404 -18.571 -23.188 4.490 1.00 71.00 O ANISOU 64 OH TYR A 404 10835 6865 9276 -1292 -365 -6 O ATOM 65 H TYR A 404 -25.520 -20.577 1.371 1.00102.24 H ATOM 66 HA TYR A 404 -23.537 -22.322 1.059 1.00104.68 H ATOM 67 HB2 TYR A 404 -23.470 -20.303 2.448 1.00 98.26 H ATOM 68 HB3 TYR A 404 -24.195 -21.196 3.543 1.00 98.26 H ATOM 69 HD1 TYR A 404 -21.293 -21.539 1.478 1.00 87.03 H ATOM 70 HD2 TYR A 404 -22.771 -22.106 5.150 1.00 88.94 H ATOM 71 HE1 TYR A 404 -19.249 -22.345 2.173 1.00 86.60 H ATOM 72 HE2 TYR A 404 -20.726 -22.913 5.849 1.00 88.75 H ATOM 73 HH TYR A 404 -18.606 -23.401 5.302 1.00 85.07 H ATOM 74 N ALA A 405 -24.229 -24.066 3.043 1.00 89.59 N ANISOU 74 N ALA A 405 12475 9589 11977 -2671 -89 214 N ATOM 75 CA ALA A 405 -24.692 -25.376 3.488 1.00 94.65 C ANISOU 75 CA ALA A 405 13378 9905 12678 -3001 -101 292 C ATOM 76 C ALA A 405 -26.172 -25.386 3.851 1.00 98.23 C ANISOU 76 C ALA A 405 13573 10530 13220 -3392 79 429 C ATOM 77 O ALA A 405 -26.977 -26.079 3.218 1.00101.23 O ANISOU 77 O ALA A 405 13856 10873 13736 -3716 1 350 O ATOM 78 CB ALA A 405 -23.855 -25.828 4.689 1.00 95.96 C ANISOU 78 CB ALA A 405 13962 9765 12734 -2872 -61 433 C ATOM 79 H ALA A 405 -23.471 -23.848 3.376 1.00107.38 H ATOM 80 HA ALA A 405 -24.557 -26.016 2.772 1.00113.45 H ATOM 81 HB1 ALA A 405 -24.130 -26.722 4.947 1.00115.03 H ATOM 82 HB2 ALA A 405 -22.918 -25.827 4.441 1.00115.03 H ATOM 83 HB3 ALA A 405 -24.000 -25.211 5.423 1.00115.03 H ATOM 84 N GLY A 406 -26.547 -24.613 4.865 1.00 96.25 N ANISOU 84 N GLY A 406 13192 10485 12893 -3365 319 616 N ATOM 85 CA GLY A 406 -27.923 -24.573 5.319 1.00 98.56 C ANISOU 85 CA GLY A 406 13211 10985 13252 -3706 531 761 C ATOM 86 C GLY A 406 -28.450 -23.162 5.467 1.00 96.43 C ANISOU 86 C GLY A 406 12534 11178 12928 -3534 696 796 C ATOM 87 O GLY A 406 -29.642 -22.959 5.716 1.00 98.32 O ANISOU 87 O GLY A 406 12454 11684 13220 -3761 871 885 O ATOM 88 H GLY A 406 -26.016 -24.102 5.308 1.00115.37 H ATOM 89 HA2 GLY A 406 -28.491 -25.044 4.689 1.00118.15 H ATOM 90 HA3 GLY A 406 -27.990 -25.015 6.180 1.00118.15 H ATOM 91 N CYS A 407 -27.571 -22.176 5.312 1.00 93.32 N ANISOU 91 N CYS A 407 12144 10878 12437 -3131 645 721 N ATOM 92 CA CYS A 407 -27.978 -20.785 5.449 1.00 92.26 C ANISOU 92 CA CYS A 407 11684 11123 12249 -2927 791 746 C ATOM 93 C CYS A 407 -28.992 -20.423 4.374 1.00 90.41 C ANISOU 93 C CYS A 407 11018 11216 12117 -3016 745 647 C ATOM 94 O CYS A 407 -28.733 -20.589 3.178 1.00 93.23 O ANISOU 94 O CYS A 407 11338 11560 12526 -2969 533 479 O ATOM 95 CB CYS A 407 -26.759 -19.869 5.358 1.00 88.63 C ANISOU 95 CB CYS A 407 11337 10639 11701 -2518 722 664 C ATOM 96 SG CYS A 407 -27.167 -18.109 5.388 1.00 86.10 S ANISOU 96 SG CYS A 407 10676 10706 11331 -2243 875 672 S ATOM 97 H CYS A 407 -26.738 -22.283 5.129 1.00111.86 H ATOM 98 HA CYS A 407 -28.393 -20.656 6.316 1.00110.59 H ATOM 99 HB2 CYS A 407 -26.174 -20.051 6.110 1.00106.23 H ATOM 100 HB3 CYS A 407 -26.292 -20.051 4.528 1.00106.23 H ATOM 101 N GLY A 408 -30.153 -19.933 4.807 1.00 84.94 N ANISOU 101 N GLY A 408 9997 10843 11435 -3121 942 745 N ATOM 102 CA GLY A 408 -31.160 -19.412 3.908 1.00 84.65 C ANISOU 102 CA GLY A 408 9509 11186 11470 -3135 905 656 C ATOM 103 C GLY A 408 -31.326 -17.912 3.965 1.00 83.26 C ANISOU 103 C GLY A 408 9107 11324 11203 -2772 1017 674 C ATOM 104 O GLY A 408 -32.293 -17.390 3.389 1.00 88.71 O ANISOU 104 O GLY A 408 9404 12373 11928 -2743 1018 630 O ATOM 105 H GLY A 408 -30.378 -19.894 5.636 1.00101.81 H ATOM 106 HA2 GLY A 408 -30.934 -19.655 2.997 1.00101.46 H ATOM 107 HA3 GLY A 408 -32.015 -19.817 4.123 1.00101.46 H ATOM 108 N LYS A 409 -30.429 -17.191 4.633 1.00 72.68 N ANISOU 108 N LYS A 409 8004 9861 9751 -2486 1098 725 N ATOM 109 CA LYS A 409 -30.557 -15.745 4.744 1.00 66.62 C ANISOU 109 CA LYS A 409 7074 9331 8909 -2145 1208 735 C ATOM 110 C LYS A 409 -30.575 -15.103 3.364 1.00 69.45 C ANISOU 110 C LYS A 409 7247 9844 9294 -1942 1048 615 C ATOM 111 O LYS A 409 -29.766 -15.442 2.496 1.00 70.52 O ANISOU 111 O LYS A 409 7544 9802 9451 -1907 858 516 O ATOM 112 CB LYS A 409 -29.408 -15.175 5.575 1.00 60.27 C ANISOU 112 CB LYS A 409 6595 8302 8002 -1900 1265 761 C ATOM 113 CG LYS A 409 -29.478 -15.523 7.052 1.00 67.23 C ANISOU 113 CG LYS A 409 7652 9103 8790 -2001 1450 893 C ATOM 114 CD LYS A 409 -28.512 -14.673 7.862 1.00 68.44 C ANISOU 114 CD LYS A 409 8049 9130 8825 -1701 1494 880 C ATOM 115 CE LYS A 409 -28.742 -14.837 9.354 1.00 75.16 C ANISOU 115 CE LYS A 409 9048 9981 9528 -1737 1694 1010 C ATOM 116 NZ LYS A 409 -27.973 -13.836 10.145 1.00 77.06 N ANISOU 116 NZ LYS A 409 9472 10163 9643 -1420 1728 958 N ATOM 117 H LYS A 409 -29.739 -17.516 5.030 1.00 87.09 H ATOM 118 HA LYS A 409 -31.391 -15.531 5.190 1.00 79.82 H ATOM 119 HB2 LYS A 409 -28.571 -15.522 5.229 1.00 72.20 H ATOM 120 HB3 LYS A 409 -29.418 -14.208 5.498 1.00 72.20 H ATOM 121 HG2 LYS A 409 -30.377 -15.359 7.378 1.00 80.55 H ATOM 122 HG3 LYS A 409 -29.240 -16.455 7.174 1.00 80.55 H ATOM 123 HD2 LYS A 409 -27.602 -14.945 7.663 1.00 82.01 H ATOM 124 HD3 LYS A 409 -28.640 -13.738 7.636 1.00 82.01 H ATOM 125 HE2 LYS A 409 -29.685 -14.716 9.547 1.00 90.06 H ATOM 126 HE3 LYS A 409 -28.455 -15.723 9.626 1.00 90.06 H ATOM 127 HZ1 LYS A 409 -28.125 -13.954 11.014 1.00 92.34 H ATOM 128 HZ2 LYS A 409 -27.102 -13.929 9.988 1.00 92.34 H ATOM 129 HZ3 LYS A 409 -28.221 -13.012 9.917 1.00 92.34 H ATOM 130 N THR A 410 -31.504 -14.173 3.169 1.00 72.80 N ANISOU 130 N THR A 410 7345 10615 9700 -1779 1131 630 N ATOM 131 CA THR A 410 -31.650 -13.448 1.916 1.00 71.26 C ANISOU 131 CA THR A 410 6978 10602 9494 -1536 999 548 C ATOM 132 C THR A 410 -31.458 -11.961 2.172 1.00 66.98 C ANISOU 132 C THR A 410 6458 10119 8872 -1145 1128 598 C ATOM 133 O THR A 410 -31.957 -11.424 3.166 1.00 62.41 O ANISOU 133 O THR A 410 5803 9655 8255 -1071 1322 671 O ATOM 134 CB THR A 410 -33.026 -13.693 1.289 1.00 75.76 C ANISOU 134 CB THR A 410 7120 11553 10113 -1662 937 502 C ATOM 135 OG1 THR A 410 -34.047 -13.187 2.158 1.00 78.27 O ANISOU 135 OG1 THR A 410 7165 12157 10418 -1636 1153 590 O ATOM 136 CG2 THR A 410 -33.249 -15.180 1.061 1.00 79.90 C ANISOU 136 CG2 THR A 410 7633 11981 10745 -2095 806 434 C ATOM 137 H THR A 410 -32.077 -13.939 3.766 1.00 87.23 H ATOM 138 HA THR A 410 -30.971 -13.741 1.288 1.00 85.38 H ATOM 139 HB THR A 410 -33.077 -13.240 0.433 1.00 90.79 H ATOM 140 HG1 THR A 410 -34.804 -13.319 1.819 1.00 93.80 H ATOM 141 HG21 THR A 410 -34.051 -15.318 0.534 1.00 95.75 H ATOM 142 HG22 THR A 410 -32.492 -15.559 0.589 1.00 95.75 H ATOM 143 HG23 THR A 410 -33.348 -15.634 1.912 1.00 95.75 H ATOM 144 N TYR A 411 -30.737 -11.302 1.272 1.00 61.98 N ANISOU 144 N TYR A 411 5944 9395 8210 -896 1030 558 N ATOM 145 CA TYR A 411 -30.435 -9.886 1.395 1.00 62.81 C ANISOU 145 CA TYR A 411 6126 9477 8263 -542 1139 602 C ATOM 146 C TYR A 411 -31.016 -9.131 0.208 1.00 61.81 C ANISOU 146 C TYR A 411 5807 9589 8088 -280 1065 600 C ATOM 147 O TYR A 411 -31.435 -9.719 -0.791 1.00 59.44 O ANISOU 147 O TYR A 411 5348 9455 7783 -358 899 542 O ATOM 148 CB TYR A 411 -28.923 -9.658 1.497 1.00 62.68 C ANISOU 148 CB TYR A 411 6463 9095 8258 -478 1127 583 C ATOM 149 CG TYR A 411 -28.325 -10.241 2.757 1.00 63.93 C ANISOU 149 CG TYR A 411 6826 9034 8429 -654 1188 584 C ATOM 150 CD1 TYR A 411 -28.222 -9.480 3.913 1.00 65.49 C ANISOU 150 CD1 TYR A 411 7119 9176 8588 -528 1344 614 C ATOM 151 CD2 TYR A 411 -27.878 -11.554 2.794 1.00 64.06 C ANISOU 151 CD2 TYR A 411 6965 8898 8478 -919 1078 548 C ATOM 152 CE1 TYR A 411 -27.684 -10.008 5.070 1.00 67.45 C ANISOU 152 CE1 TYR A 411 7570 9249 8807 -653 1384 614 C ATOM 153 CE2 TYR A 411 -27.337 -12.091 3.947 1.00 67.17 C ANISOU 153 CE2 TYR A 411 7575 9093 8855 -1039 1124 566 C ATOM 154 CZ TYR A 411 -27.244 -11.314 5.083 1.00 68.52 C ANISOU 154 CZ TYR A 411 7828 9240 8965 -902 1274 601 C ATOM 155 OH TYR A 411 -26.706 -11.842 6.235 1.00 69.15 O ANISOU 155 OH TYR A 411 8139 9145 8991 -987 1304 617 O ATOM 156 H TYR A 411 -30.405 -11.664 0.566 1.00 74.25 H ATOM 157 HA TYR A 411 -30.846 -9.538 2.202 1.00 75.25 H ATOM 158 HB2 TYR A 411 -28.488 -10.076 0.737 1.00 75.09 H ATOM 159 HB3 TYR A 411 -28.748 -8.704 1.496 1.00 75.09 H ATOM 160 HD1 TYR A 411 -28.519 -8.599 3.908 1.00 78.46 H ATOM 161 HD2 TYR A 411 -27.941 -12.080 2.030 1.00 76.75 H ATOM 162 HE1 TYR A 411 -27.619 -9.485 5.836 1.00 80.81 H ATOM 163 HE2 TYR A 411 -27.039 -12.972 3.958 1.00 80.48 H ATOM 164 HH TYR A 411 -26.708 -11.264 6.844 1.00 82.86 H ATOM 165 N THR A 412 -31.046 -7.804 0.334 1.00 62.82 N ANISOU 165 N THR A 412 5974 9725 8171 52 1181 658 N ATOM 166 CA THR A 412 -31.635 -6.966 -0.705 1.00 68.97 C ANISOU 166 CA THR A 412 6609 10720 8877 366 1128 686 C ATOM 167 C THR A 412 -30.672 -6.782 -1.873 1.00 67.81 C ANISOU 167 C THR A 412 6680 10390 8696 472 1024 692 C ATOM 168 O THR A 412 -30.962 -7.188 -3.003 1.00 70.16 O ANISOU 168 O THR A 412 6863 10861 8932 489 860 656 O ATOM 169 CB THR A 412 -32.030 -5.608 -0.119 1.00 71.97 C ANISOU 169 CB THR A 412 6994 11134 9218 704 1298 753 C ATOM 170 OG1 THR A 412 -30.855 -4.907 0.307 1.00 71.89 O ANISOU 170 OG1 THR A 412 7339 10736 9240 785 1395 776 O ATOM 171 CG2 THR A 412 -32.969 -5.788 1.067 1.00 74.82 C ANISOU 171 CG2 THR A 412 7133 11709 9585 622 1432 746 C ATOM 172 H THR A 412 -30.734 -7.369 1.007 1.00 75.26 H ATOM 173 HA THR A 412 -32.438 -7.394 -1.041 1.00 82.64 H ATOM 174 HB THR A 412 -32.490 -5.087 -0.795 1.00 86.24 H ATOM 175 HG1 THR A 412 -31.067 -4.161 0.629 1.00 86.14 H ATOM 176 HG21 THR A 412 -33.287 -4.924 1.372 1.00 89.65 H ATOM 177 HG22 THR A 412 -33.730 -6.330 0.807 1.00 89.65 H ATOM 178 HG23 THR A 412 -32.504 -6.227 1.796 1.00 89.65 H ATOM 179 N LYS A 413 -29.520 -6.175 -1.613 1.00 63.88 N ANISOU 179 N LYS A 413 6485 9556 8232 541 1120 727 N ATOM 180 CA LYS A 413 -28.509 -5.953 -2.632 1.00 58.56 C ANISOU 180 CA LYS A 413 6017 8700 7533 624 1075 750 C ATOM 181 C LYS A 413 -27.530 -7.120 -2.671 1.00 57.57 C ANISOU 181 C LYS A 413 6010 8402 7462 335 984 660 C ATOM 182 O LYS A 413 -27.449 -7.928 -1.743 1.00 57.33 O ANISOU 182 O LYS A 413 5982 8304 7499 91 977 600 O ATOM 183 CB LYS A 413 -27.756 -4.648 -2.364 1.00 58.33 C ANISOU 183 CB LYS A 413 6229 8394 7541 825 1239 829 C ATOM 184 CG LYS A 413 -28.623 -3.403 -2.456 1.00 63.85 C ANISOU 184 CG LYS A 413 6882 9204 8176 1173 1326 924 C ATOM 185 CD LYS A 413 -27.936 -2.187 -1.850 1.00 65.10 C ANISOU 185 CD LYS A 413 7301 9026 8409 1308 1495 970 C ATOM 186 CE LYS A 413 -26.651 -1.835 -2.581 1.00 68.48 C ANISOU 186 CE LYS A 413 7977 9161 8881 1287 1535 1023 C ATOM 187 NZ LYS A 413 -26.065 -0.560 -2.082 1.00 70.61 N ANISOU 187 NZ LYS A 413 8490 9090 9247 1404 1697 1063 N ATOM 188 H LYS A 413 -29.299 -5.877 -0.837 1.00 76.54 H ATOM 189 HA LYS A 413 -28.936 -5.884 -3.500 1.00 70.15 H ATOM 190 HB2 LYS A 413 -27.381 -4.682 -1.470 1.00 69.88 H ATOM 191 HB3 LYS A 413 -27.043 -4.561 -3.016 1.00 69.88 H ATOM 192 HG2 LYS A 413 -28.809 -3.212 -3.389 1.00 76.50 H ATOM 193 HG3 LYS A 413 -29.451 -3.554 -1.974 1.00 76.50 H ATOM 194 HD2 LYS A 413 -28.533 -1.424 -1.904 1.00 78.00 H ATOM 195 HD3 LYS A 413 -27.716 -2.374 -0.924 1.00 78.00 H ATOM 196 HE2 LYS A 413 -26.000 -2.540 -2.443 1.00 82.05 H ATOM 197 HE3 LYS A 413 -26.839 -1.733 -3.527 1.00 82.05 H ATOM 198 HZ1 LYS A 413 -25.315 -0.376 -2.525 1.00 84.60 H ATOM 199 HZ2 LYS A 413 -26.642 0.107 -2.201 1.00 84.60 H ATOM 200 HZ3 LYS A 413 -25.879 -0.630 -1.214 1.00 84.60 H ATOM 201 N SER A 414 -26.781 -7.205 -3.772 1.00 64.55 N ANISOU 201 N SER A 414 7008 9219 8297 390 921 659 N ATOM 202 CA SER A 414 -25.722 -8.203 -3.859 1.00 61.40 C ANISOU 202 CA SER A 414 6743 8645 7942 180 845 566 C ATOM 203 C SER A 414 -24.548 -7.826 -2.966 1.00 57.46 C ANISOU 203 C SER A 414 6438 7842 7554 129 967 564 C ATOM 204 O SER A 414 -23.897 -8.701 -2.383 1.00 58.47 O ANISOU 204 O SER A 414 6642 7830 7742 -65 912 476 O ATOM 205 CB SER A 414 -25.263 -8.364 -5.306 1.00 60.87 C ANISOU 205 CB SER A 414 6731 8630 7765 289 763 557 C ATOM 206 OG SER A 414 -24.241 -9.339 -5.403 1.00 59.86 O ANISOU 206 OG SER A 414 6725 8349 7672 124 691 451 O ATOM 207 H SER A 414 -26.865 -6.706 -4.467 1.00 77.33 H ATOM 208 HA SER A 414 -26.067 -9.058 -3.557 1.00 73.56 H ATOM 209 HB2 SER A 414 -26.018 -8.642 -5.848 1.00 72.91 H ATOM 210 HB3 SER A 414 -24.921 -7.514 -5.625 1.00 72.91 H ATOM 211 HG SER A 414 -23.996 -9.420 -6.202 1.00 71.71 H ATOM 212 N SER A 415 -24.265 -6.527 -2.847 1.00 61.17 N ANISOU 212 N SER A 415 6994 8196 8052 307 1118 651 N ATOM 213 CA SER A 415 -23.225 -6.071 -1.931 1.00 65.84 C ANISOU 213 CA SER A 415 7740 8511 8764 248 1217 620 C ATOM 214 C SER A 415 -23.455 -6.615 -0.528 1.00 59.79 C ANISOU 214 C SER A 415 6962 7716 8038 94 1194 544 C ATOM 215 O SER A 415 -22.502 -6.965 0.177 1.00 54.64 O ANISOU 215 O SER A 415 6423 6884 7455 -28 1175 462 O ATOM 216 CB SER A 415 -23.185 -4.543 -1.911 1.00 72.24 C ANISOU 216 CB SER A 415 8642 9196 9609 450 1378 716 C ATOM 217 OG SER A 415 -22.304 -4.067 -0.909 1.00 72.79 O ANISOU 217 OG SER A 415 8841 9007 9808 375 1451 649 O ATOM 218 H SER A 415 -24.658 -5.898 -3.282 1.00 73.28 H ATOM 219 HA SER A 415 -22.364 -6.392 -2.242 1.00 78.88 H ATOM 220 HB2 SER A 415 -22.880 -4.229 -2.776 1.00 86.56 H ATOM 221 HB3 SER A 415 -24.077 -4.207 -1.732 1.00 86.56 H ATOM 222 HG SER A 415 -22.293 -3.227 -0.911 1.00 87.22 H ATOM 223 N HIS A 416 -24.718 -6.692 -0.107 1.00 54.24 N ANISOU 223 N HIS A 416 6116 7212 7281 111 1202 575 N ATOM 224 CA HIS A 416 -25.033 -7.260 1.199 1.00 51.37 C ANISOU 224 CA HIS A 416 5743 6851 6923 -37 1212 534 C ATOM 225 C HIS A 416 -24.715 -8.749 1.237 1.00 53.23 C ANISOU 225 C HIS A 416 6005 7057 7164 -284 1079 472 C ATOM 226 O HIS A 416 -24.044 -9.228 2.158 1.00 51.70 O ANISOU 226 O HIS A 416 5953 6698 6991 -394 1066 422 O ATOM 227 CB HIS A 416 -26.505 -7.016 1.531 1.00 55.49 C ANISOU 227 CB HIS A 416 6062 7638 7384 35 1279 591 C ATOM 228 CG HIS A 416 -26.843 -5.576 1.748 1.00 59.10 C ANISOU 228 CG HIS A 416 6534 8094 7828 313 1413 639 C ATOM 229 ND1 HIS A 416 -25.916 -4.565 1.614 1.00 60.01 N ANISOU 229 ND1 HIS A 416 6848 7953 8000 448 1470 638 N ATOM 230 CD2 HIS A 416 -28.005 -4.975 2.098 1.00 62.82 C ANISOU 230 CD2 HIS A 416 6850 8776 8242 485 1504 681 C ATOM 231 CE1 HIS A 416 -26.492 -3.404 1.869 1.00 62.12 C ANISOU 231 CE1 HIS A 416 7121 8234 8245 694 1582 679 C ATOM 232 NE2 HIS A 416 -27.760 -3.625 2.166 1.00 63.30 N ANISOU 232 NE2 HIS A 416 7056 8680 8317 745 1603 702 N ATOM 233 H HIS A 416 -25.402 -6.425 -0.555 1.00 64.96 H ATOM 234 HA HIS A 416 -24.494 -6.820 1.875 1.00 61.52 H ATOM 235 HB2 HIS A 416 -27.048 -7.340 0.795 1.00 66.47 H ATOM 236 HB3 HIS A 416 -26.727 -7.499 2.342 1.00 66.47 H ATOM 237 HD1 HIS A 416 -25.091 -4.672 1.397 1.00 71.89 H ATOM 238 HD2 HIS A 416 -28.817 -5.397 2.261 1.00 75.25 H ATOM 239 HE1 HIS A 416 -26.076 -2.573 1.843 1.00 74.41 H ATOM 240 N LEU A 417 -25.188 -9.499 0.240 1.00 55.36 N ANISOU 240 N LEU A 417 6157 7474 7402 -356 966 463 N ATOM 241 CA LEU A 417 -24.953 -10.938 0.222 1.00 51.85 C ANISOU 241 CA LEU A 417 5766 6966 6969 -588 830 393 C ATOM 242 C LEU A 417 -23.461 -11.248 0.223 1.00 48.91 C ANISOU 242 C LEU A 417 5609 6341 6633 -593 777 320 C ATOM 243 O LEU A 417 -22.994 -12.097 0.989 1.00 46.90 O ANISOU 243 O LEU A 417 5489 5935 6394 -726 724 277 O ATOM 244 CB LEU A 417 -25.637 -11.567 -0.992 1.00 53.85 C ANISOU 244 CB LEU A 417 5869 7406 7184 -638 694 358 C ATOM 245 CG LEU A 417 -25.451 -13.077 -1.165 1.00 55.61 C ANISOU 245 CG LEU A 417 6170 7532 7427 -877 534 263 C ATOM 246 CD1 LEU A 417 -25.859 -13.836 0.091 1.00 55.50 C ANISOU 246 CD1 LEU A 417 6194 7439 7456 -1115 574 294 C ATOM 247 CD2 LEU A 417 -26.244 -13.573 -2.365 1.00 58.37 C ANISOU 247 CD2 LEU A 417 6353 8090 7734 -918 383 196 C ATOM 248 H LEU A 417 -25.641 -9.202 -0.428 1.00 66.30 H ATOM 249 HA LEU A 417 -25.340 -11.327 1.021 1.00 62.10 H ATOM 250 HB2 LEU A 417 -26.590 -11.400 -0.925 1.00 64.49 H ATOM 251 HB3 LEU A 417 -25.291 -11.140 -1.791 1.00 64.49 H ATOM 252 HG LEU A 417 -24.514 -13.261 -1.333 1.00 66.61 H ATOM 253 HD11 LEU A 417 -25.825 -14.787 -0.093 1.00 66.48 H ATOM 254 HD12 LEU A 417 -25.244 -13.616 0.808 1.00 66.48 H ATOM 255 HD13 LEU A 417 -26.762 -13.579 0.336 1.00 66.48 H ATOM 256 HD21 LEU A 417 -26.111 -14.529 -2.457 1.00 69.92 H ATOM 257 HD22 LEU A 417 -27.184 -13.381 -2.223 1.00 69.92 H ATOM 258 HD23 LEU A 417 -25.930 -13.117 -3.161 1.00 69.92 H ATOM 259 N LYS A 418 -22.693 -10.558 -0.625 1.00 48.67 N ANISOU 259 N LYS A 418 5611 6271 6610 -436 798 313 N ATOM 260 CA LYS A 418 -21.259 -10.819 -0.694 1.00 52.40 C ANISOU 260 CA LYS A 418 6228 6553 7127 -434 760 232 C ATOM 261 C LYS A 418 -20.604 -10.653 0.671 1.00 54.89 C ANISOU 261 C LYS A 418 6658 6697 7501 -468 796 197 C ATOM 262 O LYS A 418 -19.737 -11.447 1.052 1.00 57.82 O ANISOU 262 O LYS A 418 7143 6937 7889 -527 702 111 O ATOM 263 CB LYS A 418 -20.600 -9.892 -1.717 1.00 53.21 C ANISOU 263 CB LYS A 418 6323 6657 7236 -272 840 262 C ATOM 264 CG LYS A 418 -19.139 -10.228 -1.988 1.00 58.29 C ANISOU 264 CG LYS A 418 7052 7168 7926 -273 812 170 C ATOM 265 CD LYS A 418 -18.551 -9.382 -3.107 1.00 63.79 C ANISOU 265 CD LYS A 418 7729 7892 8618 -141 929 226 C ATOM 266 CE LYS A 418 -17.132 -9.825 -3.442 1.00 66.04 C ANISOU 266 CE LYS A 418 8047 8102 8944 -145 913 124 C ATOM 267 NZ LYS A 418 -16.489 -8.960 -4.470 1.00 69.20 N ANISOU 267 NZ LYS A 418 8422 8528 9343 -42 1077 202 N ATOM 268 H LYS A 418 -22.974 -9.946 -1.160 1.00 58.28 H ATOM 269 HA LYS A 418 -21.118 -11.734 -0.984 1.00 62.75 H ATOM 270 HB2 LYS A 418 -21.081 -9.959 -2.556 1.00 63.72 H ATOM 271 HB3 LYS A 418 -20.639 -8.981 -1.386 1.00 63.72 H ATOM 272 HG2 LYS A 418 -18.621 -10.066 -1.184 1.00 69.82 H ATOM 273 HG3 LYS A 418 -19.070 -11.160 -2.247 1.00 69.82 H ATOM 274 HD2 LYS A 418 -19.097 -9.478 -3.903 1.00 76.43 H ATOM 275 HD3 LYS A 418 -18.523 -8.454 -2.827 1.00 76.43 H ATOM 276 HE2 LYS A 418 -16.591 -9.788 -2.638 1.00 79.13 H ATOM 277 HE3 LYS A 418 -17.156 -10.732 -3.785 1.00 79.13 H ATOM 278 HZ1 LYS A 418 -15.664 -9.250 -4.638 1.00 82.91 H ATOM 279 HZ2 LYS A 418 -16.962 -8.980 -5.224 1.00 82.91 H ATOM 280 HZ3 LYS A 418 -16.447 -8.120 -4.178 1.00 82.91 H ATOM 281 N ALA A 419 -21.005 -9.627 1.423 1.00 58.20 N ANISOU 281 N ALA A 419 7058 7121 7935 -401 918 249 N ATOM 282 CA ALA A 419 -20.430 -9.414 2.746 1.00 55.25 C ANISOU 282 CA ALA A 419 6801 6605 7589 -410 936 192 C ATOM 283 C ALA A 419 -20.798 -10.546 3.696 1.00 54.82 C ANISOU 283 C ALA A 419 6823 6545 7462 -540 867 191 C ATOM 284 O ALA A 419 -19.948 -11.033 4.450 1.00 59.64 O ANISOU 284 O ALA A 419 7577 7018 8066 -562 790 118 O ATOM 285 CB ALA A 419 -20.893 -8.071 3.309 1.00 55.23 C ANISOU 285 CB ALA A 419 6780 6608 7597 -290 1078 231 C ATOM 286 H ALA A 419 -21.599 -9.050 1.193 1.00 69.72 H ATOM 287 HA ALA A 419 -19.464 -9.390 2.670 1.00 66.18 H ATOM 288 HB1 ALA A 419 -20.502 -7.946 4.188 1.00 66.15 H ATOM 289 HB2 ALA A 419 -20.603 -7.363 2.713 1.00 66.15 H ATOM 290 HB3 ALA A 419 -21.861 -8.073 3.374 1.00 66.15 H ATOM 291 N HIS A 420 -22.061 -10.979 3.675 1.00 40.91 N ANISOU 291 N HIS A 420 4965 4936 5644 -626 897 276 N ATOM 292 CA HIS A 420 -22.497 -12.043 4.573 1.00 42.75 C ANISOU 292 CA HIS A 420 5279 5150 5812 -785 873 311 C ATOM 293 C HIS A 420 -21.672 -13.308 4.382 1.00 42.25 C ANISOU 293 C HIS A 420 5378 4918 5758 -881 711 248 C ATOM 294 O HIS A 420 -21.317 -13.979 5.359 1.00 42.12 O ANISOU 294 O HIS A 420 5546 4769 5687 -929 673 250 O ATOM 295 CB HIS A 420 -23.978 -12.342 4.351 1.00 53.97 C ANISOU 295 CB HIS A 420 6513 6783 7209 -905 934 403 C ATOM 296 CG HIS A 420 -24.420 -13.649 4.931 1.00 65.66 C ANISOU 296 CG HIS A 420 8071 8219 8656 -1140 907 452 C ATOM 297 ND1 HIS A 420 -24.394 -13.909 6.284 1.00 67.48 N ANISOU 297 ND1 HIS A 420 8462 8373 8806 -1181 985 511 N ATOM 298 CD2 HIS A 420 -24.891 -14.773 4.340 1.00 68.87 C ANISOU 298 CD2 HIS A 420 8444 8627 9098 -1352 814 454 C ATOM 299 CE1 HIS A 420 -24.834 -15.136 6.502 1.00 71.06 C ANISOU 299 CE1 HIS A 420 8985 8768 9247 -1416 964 576 C ATOM 300 NE2 HIS A 420 -25.143 -15.681 5.340 1.00 75.41 N ANISOU 300 NE2 HIS A 420 9416 9351 9884 -1538 855 532 N ATOM 301 H HIS A 420 -22.676 -10.676 3.156 1.00 48.97 H ATOM 302 HA HIS A 420 -22.385 -11.748 5.490 1.00 51.17 H ATOM 303 HB2 HIS A 420 -24.503 -11.640 4.766 1.00 64.64 H ATOM 304 HB3 HIS A 420 -24.154 -12.365 3.397 1.00 64.64 H ATOM 305 HD1 HIS A 420 -24.134 -13.359 6.891 1.00 80.86 H ATOM 306 HD2 HIS A 420 -25.022 -14.904 3.429 1.00 82.52 H ATOM 307 HE1 HIS A 420 -24.914 -15.546 7.333 1.00 85.15 H ATOM 308 N LEU A 421 -21.360 -13.656 3.131 1.00 48.72 N ANISOU 308 N LEU A 421 6150 5739 6621 -881 613 191 N ATOM 309 CA LEU A 421 -20.638 -14.895 2.865 1.00 47.74 C ANISOU 309 CA LEU A 421 6186 5456 6499 -941 454 113 C ATOM 310 C LEU A 421 -19.287 -14.936 3.563 1.00 44.89 C ANISOU 310 C LEU A 421 5993 4926 6137 -826 394 33 C ATOM 311 O LEU A 421 -18.743 -16.027 3.768 1.00 45.69 O ANISOU 311 O LEU A 421 6275 4872 6213 -849 266 -15 O ATOM 312 CB LEU A 421 -20.445 -15.084 1.359 1.00 55.56 C ANISOU 312 CB LEU A 421 7094 6505 7510 -901 371 41 C ATOM 313 CG LEU A 421 -21.705 -15.035 0.491 1.00 54.63 C ANISOU 313 CG LEU A 421 6790 6590 7379 -977 381 83 C ATOM 314 CD1 LEU A 421 -21.370 -15.400 -0.945 1.00 53.87 C ANISOU 314 CD1 LEU A 421 6674 6535 7259 -912 266 -14 C ATOM 315 CD2 LEU A 421 -22.800 -15.944 1.032 1.00 56.22 C ANISOU 315 CD2 LEU A 421 6986 6797 7579 -1217 361 134 C ATOM 316 H LEU A 421 -21.553 -13.197 2.430 1.00 58.34 H ATOM 317 HA LEU A 421 -21.163 -15.640 3.195 1.00 57.17 H ATOM 318 HB2 LEU A 421 -19.851 -14.387 1.041 1.00 66.55 H ATOM 319 HB3 LEU A 421 -20.030 -15.949 1.214 1.00 66.55 H ATOM 320 HG LEU A 421 -22.046 -14.130 0.490 1.00 65.43 H ATOM 321 HD11 LEU A 421 -22.176 -15.340 -1.482 1.00 64.52 H ATOM 322 HD12 LEU A 421 -20.702 -14.782 -1.280 1.00 64.52 H ATOM 323 HD13 LEU A 421 -21.024 -16.306 -0.967 1.00 64.52 H ATOM 324 HD21 LEU A 421 -23.531 -15.970 0.395 1.00 67.34 H ATOM 325 HD22 LEU A 421 -22.437 -16.835 1.156 1.00 67.34 H ATOM 326 HD23 LEU A 421 -23.113 -15.593 1.880 1.00 67.34 H ATOM 327 N ARG A 422 -18.732 -13.781 3.935 1.00 48.29 N ANISOU 327 N ARG A 422 6373 5376 6600 -699 471 5 N ATOM 328 CA ARG A 422 -17.455 -13.766 4.637 1.00 48.57 C ANISOU 328 CA ARG A 422 6523 5287 6645 -596 391 -102 C ATOM 329 C ARG A 422 -17.550 -14.405 6.016 1.00 50.79 C ANISOU 329 C ARG A 422 7006 5474 6818 -618 345 -70 C ATOM 330 O ARG A 422 -16.520 -14.801 6.573 1.00 51.74 O ANISOU 330 O ARG A 422 7260 5488 6912 -521 219 -163 O ATOM 331 CB ARG A 422 -16.937 -12.332 4.755 1.00 47.73 C ANISOU 331 CB ARG A 422 6308 5210 6619 -497 483 -154 C ATOM 332 CG ARG A 422 -16.792 -11.630 3.413 1.00 52.37 C ANISOU 332 CG ARG A 422 6732 5868 7296 -466 561 -148 C ATOM 333 CD ARG A 422 -15.865 -10.430 3.494 1.00 57.39 C ANISOU 333 CD ARG A 422 7301 6457 8048 -398 629 -224 C ATOM 334 NE ARG A 422 -15.615 -9.850 2.175 1.00 67.43 N ANISOU 334 NE ARG A 422 8451 7776 9391 -372 726 -191 N ATOM 335 CZ ARG A 422 -16.252 -8.796 1.670 1.00 74.45 C ANISOU 335 CZ ARG A 422 9281 8704 10303 -342 875 -84 C ATOM 336 NH1 ARG A 422 -17.193 -8.167 2.364 1.00 76.09 N ANISOU 336 NH1 ARG A 422 9514 8917 10481 -325 943 -21 N ATOM 337 NH2 ARG A 422 -15.940 -8.362 0.457 1.00 75.52 N ANISOU 337 NH2 ARG A 422 9344 8875 10474 -304 966 -35 N ATOM 338 H ARG A 422 -19.071 -13.004 3.794 1.00 57.83 H ATOM 339 HA ARG A 422 -16.809 -14.273 4.120 1.00 58.16 H ATOM 340 HB2 ARG A 422 -17.557 -11.818 5.295 1.00 57.15 H ATOM 341 HB3 ARG A 422 -16.065 -12.347 5.179 1.00 57.15 H ATOM 342 HG2 ARG A 422 -16.425 -12.253 2.766 1.00 62.71 H ATOM 343 HG3 ARG A 422 -17.663 -11.320 3.120 1.00 62.71 H ATOM 344 HD2 ARG A 422 -16.258 -9.757 4.069 1.00 68.74 H ATOM 345 HD3 ARG A 422 -15.013 -10.717 3.858 1.00 68.74 H ATOM 346 HE ARG A 422 -15.010 -10.218 1.688 1.00 80.79 H ATOM 347 HH11 ARG A 422 -17.408 -8.436 3.151 1.00 91.19 H ATOM 348 HH12 ARG A 422 -17.593 -7.487 2.021 1.00 91.19 H ATOM 349 HH21 ARG A 422 -15.330 -8.762 0.001 1.00 90.49 H ATOM 350 HH22 ARG A 422 -16.346 -7.680 0.127 1.00 90.49 H ATOM 351 N THR A 423 -18.757 -14.514 6.580 1.00 57.80 N ANISOU 351 N THR A 423 7911 6419 7630 -728 449 63 N ATOM 352 CA THR A 423 -18.915 -15.223 7.846 1.00 59.74 C ANISOU 352 CA THR A 423 8379 6577 7742 -759 436 132 C ATOM 353 C THR A 423 -18.741 -16.724 7.663 1.00 62.07 C ANISOU 353 C THR A 423 8868 6704 8010 -846 306 155 C ATOM 354 O THR A 423 -18.353 -17.422 8.606 1.00 63.98 O ANISOU 354 O THR A 423 9364 6806 8140 -803 237 184 O ATOM 355 CB THR A 423 -20.287 -14.930 8.459 1.00 57.36 C ANISOU 355 CB THR A 423 8017 6410 7366 -864 624 280 C ATOM 356 OG1 THR A 423 -21.314 -15.507 7.644 1.00 58.03 O ANISOU 356 OG1 THR A 423 7977 6566 7507 -1060 666 366 O ATOM 357 CG2 THR A 423 -20.518 -13.428 8.579 1.00 56.96 C ANISOU 357 CG2 THR A 423 7796 6504 7340 -742 749 246 C ATOM 358 H THR A 423 -19.485 -14.192 6.254 1.00 69.23 H ATOM 359 HA THR A 423 -18.237 -14.916 8.467 1.00 71.56 H ATOM 360 HB THR A 423 -20.329 -15.316 9.348 1.00 68.70 H ATOM 361 HG1 THR A 423 -21.284 -15.181 6.870 1.00 69.51 H ATOM 362 HG21 THR A 423 -21.341 -13.257 9.064 1.00 68.22 H ATOM 363 HG22 THR A 423 -19.780 -13.017 9.056 1.00 68.22 H ATOM 364 HG23 THR A 423 -20.584 -13.030 7.697 1.00 68.22 H ATOM 365 N HIS A 424 -19.022 -17.235 6.464 1.00 49.28 N ANISOU 365 N HIS A 424 7161 5083 6478 -950 261 139 N ATOM 366 CA HIS A 424 -18.839 -18.649 6.169 1.00 52.44 C ANISOU 366 CA HIS A 424 7766 5288 6871 -1027 122 129 C ATOM 367 C HIS A 424 -17.442 -18.973 5.661 1.00 52.12 C ANISOU 367 C HIS A 424 7804 5143 6857 -828 -54 -36 C ATOM 368 O HIS A 424 -17.014 -20.128 5.765 1.00 55.18 O ANISOU 368 O HIS A 424 8438 5324 7206 -803 -191 -59 O ATOM 369 CB HIS A 424 -19.868 -19.109 5.130 1.00 58.89 C ANISOU 369 CB HIS A 424 8457 6158 7760 -1240 135 156 C ATOM 370 CG HIS A 424 -21.290 -18.918 5.560 1.00 68.62 C ANISOU 370 CG HIS A 424 9563 7527 8984 -1452 303 306 C ATOM 371 ND1 HIS A 424 -21.909 -19.742 6.475 1.00 72.28 N ANISOU 371 ND1 HIS A 424 10202 7872 9390 -1641 367 447 N ATOM 372 CD2 HIS A 424 -22.216 -18.001 5.193 1.00 69.69 C ANISOU 372 CD2 HIS A 424 9403 7920 9155 -1491 431 342 C ATOM 373 CE1 HIS A 424 -23.154 -19.339 6.656 1.00 73.59 C ANISOU 373 CE1 HIS A 424 10150 8244 9566 -1805 539 555 C ATOM 374 NE2 HIS A 424 -23.365 -18.284 5.890 1.00 77.62 N ANISOU 374 NE2 HIS A 424 10370 8989 10131 -1700 568 485 N ATOM 375 H HIS A 424 -19.323 -16.777 5.801 1.00 59.01 H ATOM 376 HA HIS A 424 -18.987 -19.161 6.980 1.00 62.80 H ATOM 377 HB2 HIS A 424 -19.735 -18.603 4.313 1.00 70.54 H ATOM 378 HB3 HIS A 424 -19.734 -20.053 4.956 1.00 70.54 H ATOM 379 HD1 HIS A 424 -21.542 -20.413 6.868 1.00 86.61 H ATOM 380 HD2 HIS A 424 -22.096 -17.308 4.585 1.00 83.50 H ATOM 381 HE1 HIS A 424 -23.776 -19.731 7.226 1.00 88.18 H ATOM 382 N THR A 425 -16.723 -17.988 5.115 1.00 54.47 N ANISOU 382 N THR A 425 7900 5573 7223 -683 -41 -147 N ATOM 383 CA THR A 425 -15.384 -18.207 4.589 1.00 55.37 C ANISOU 383 CA THR A 425 8020 5645 7373 -497 -175 -309 C ATOM 384 C THR A 425 -14.281 -17.632 5.463 1.00 59.32 C ANISOU 384 C THR A 425 8517 6155 7866 -319 -221 -399 C ATOM 385 O THR A 425 -13.121 -18.021 5.296 1.00 52.78 O ANISOU 385 O THR A 425 7713 5290 7052 -150 -356 -538 O ATOM 386 CB THR A 425 -15.251 -17.596 3.185 1.00 53.73 C ANISOU 386 CB THR A 425 7573 5590 7253 -474 -118 -375 C ATOM 387 OG1 THR A 425 -15.343 -16.168 3.270 1.00 52.63 O ANISOU 387 OG1 THR A 425 7232 5595 7171 -466 32 -344 O ATOM 388 CG2 THR A 425 -16.342 -18.116 2.262 1.00 49.49 C ANISOU 388 CG2 THR A 425 7016 5079 6708 -628 -108 -320 C ATOM 389 H THR A 425 -16.997 -17.176 5.039 1.00 65.24 H ATOM 390 HA THR A 425 -15.229 -19.161 4.510 1.00 66.32 H ATOM 391 HB THR A 425 -14.391 -17.840 2.809 1.00 64.35 H ATOM 392 HG1 THR A 425 -15.271 -15.829 2.505 1.00 63.03 H ATOM 393 HG21 THR A 425 -16.180 -17.814 1.355 1.00 59.26 H ATOM 394 HG22 THR A 425 -16.351 -19.086 2.274 1.00 59.26 H ATOM 395 HG23 THR A 425 -17.208 -17.789 2.554 1.00 59.26 H ATOM 396 N GLY A 426 -14.605 -16.724 6.382 1.00 65.52 N ANISOU 396 N GLY A 426 9263 7005 8627 -340 -123 -347 N ATOM 397 CA GLY A 426 -13.594 -16.067 7.182 1.00 66.32 C ANISOU 397 CA GLY A 426 9337 7131 8732 -188 -185 -470 C ATOM 398 C GLY A 426 -12.742 -15.068 6.434 1.00 67.83 C ANISOU 398 C GLY A 426 9264 7429 9081 -137 -150 -605 C ATOM 399 O GLY A 426 -11.809 -14.511 7.024 1.00 68.37 O ANISOU 399 O GLY A 426 9268 7520 9188 -39 -216 -742 O ATOM 400 H GLY A 426 -15.409 -16.474 6.557 1.00 78.50 H ATOM 401 HA2 GLY A 426 -14.026 -15.602 7.915 1.00 79.46 H ATOM 402 HA3 GLY A 426 -13.005 -16.739 7.559 1.00 79.46 H ATOM 403 N GLU A 427 -13.024 -14.830 5.155 1.00 55.00 N ANISOU 403 N GLU A 427 7484 5871 7543 -207 -47 -571 N ATOM 404 CA GLU A 427 -12.287 -13.835 4.390 1.00 58.98 C ANISOU 404 CA GLU A 427 7753 6466 8190 -183 37 -654 C ATOM 405 C GLU A 427 -12.438 -12.461 5.032 1.00 55.26 C ANISOU 405 C GLU A 427 7200 6012 7786 -225 150 -652 C ATOM 406 O GLU A 427 -13.512 -12.098 5.517 1.00 54.15 O ANISOU 406 O GLU A 427 7125 5867 7583 -285 236 -539 O ATOM 407 CB GLU A 427 -12.796 -13.803 2.948 1.00 67.05 C ANISOU 407 CB GLU A 427 8675 7564 9237 -236 147 -576 C ATOM 408 CG GLU A 427 -11.959 -12.959 1.996 1.00 76.68 C ANISOU 408 CG GLU A 427 9684 8871 10578 -202 257 -630 C ATOM 409 CD GLU A 427 -10.861 -13.752 1.308 1.00 83.91 C ANISOU 409 CD GLU A 427 10552 9829 11500 -86 168 -759 C ATOM 410 OE1 GLU A 427 -11.045 -14.968 1.084 1.00 85.25 O ANISOU 410 OE1 GLU A 427 10867 9957 11569 -33 42 -777 O ATOM 411 OE2 GLU A 427 -9.812 -13.155 0.984 1.00 86.68 O ANISOU 411 OE2 GLU A 427 10718 10251 11964 -50 234 -847 O ATOM 412 H GLU A 427 -13.639 -15.232 4.708 1.00 65.87 H ATOM 413 HA GLU A 427 -11.345 -14.068 4.379 1.00 70.65 H ATOM 414 HB2 GLU A 427 -12.817 -14.710 2.607 1.00 80.33 H ATOM 415 HB3 GLU A 427 -13.694 -13.437 2.948 1.00 80.33 H ATOM 416 HG2 GLU A 427 -12.538 -12.594 1.309 1.00 91.89 H ATOM 417 HG3 GLU A 427 -11.540 -12.238 2.491 1.00 91.89 H ATOM 418 N LYS A 428 -11.350 -11.695 5.030 1.00 57.57 N ANISOU 418 N LYS A 428 7340 6321 8212 -194 151 -790 N ATOM 419 CA LYS A 428 -11.313 -10.370 5.650 1.00 52.25 C ANISOU 419 CA LYS A 428 6606 5617 7629 -239 232 -834 C ATOM 420 C LYS A 428 -10.499 -9.442 4.762 1.00 55.62 C ANISOU 420 C LYS A 428 6815 6063 8256 -296 352 -890 C ATOM 421 O LYS A 428 -9.304 -9.220 4.991 1.00 52.49 O ANISOU 421 O LYS A 428 6285 5678 7980 -290 278 -1065 O ATOM 422 CB LYS A 428 -10.732 -10.446 7.064 1.00 57.54 C ANISOU 422 CB LYS A 428 7363 6253 8246 -162 58 -989 C ATOM 423 CG LYS A 428 -11.580 -11.276 8.013 1.00 56.11 C ANISOU 423 CG LYS A 428 7431 6045 7844 -109 -15 -895 C ATOM 424 CD LYS A 428 -10.987 -11.340 9.405 1.00 68.34 C ANISOU 424 CD LYS A 428 9096 7577 9292 9 -193 -1041 C ATOM 425 CE LYS A 428 -11.914 -12.081 10.354 1.00 77.08 C ANISOU 425 CE LYS A 428 10476 8655 10155 53 -210 -902 C ATOM 426 NZ LYS A 428 -11.355 -12.182 11.729 1.00 80.32 N ANISOU 426 NZ LYS A 428 11043 9065 10412 209 -389 -1030 N ATOM 427 H LYS A 428 -10.604 -11.925 4.668 1.00 68.95 H ATOM 428 HA LYS A 428 -12.215 -10.022 5.721 1.00 62.58 H ATOM 429 HB2 LYS A 428 -9.852 -10.852 7.020 1.00 68.92 H ATOM 430 HB3 LYS A 428 -10.664 -9.550 7.427 1.00 68.92 H ATOM 431 HG2 LYS A 428 -12.463 -10.880 8.079 1.00 67.21 H ATOM 432 HG3 LYS A 428 -11.645 -12.181 7.672 1.00 67.21 H ATOM 433 HD2 LYS A 428 -10.140 -11.812 9.373 1.00 81.88 H ATOM 434 HD3 LYS A 428 -10.860 -10.440 9.742 1.00 81.88 H ATOM 435 HE2 LYS A 428 -12.759 -11.607 10.406 1.00 92.37 H ATOM 436 HE3 LYS A 428 -12.057 -12.980 10.020 1.00 92.37 H ATOM 437 HZ1 LYS A 428 -11.922 -12.620 12.256 1.00 96.26 H ATOM 438 HZ2 LYS A 428 -10.580 -12.619 11.711 1.00 96.26 H ATOM 439 HZ3 LYS A 428 -11.220 -11.368 12.063 1.00 96.26 H ATOM 440 N PRO A 429 -11.123 -8.869 3.726 1.00 65.81 N ANISOU 440 N PRO A 429 8057 7365 9582 -352 543 -737 N ATOM 441 CA PRO A 429 -10.359 -8.071 2.752 1.00 67.99 C ANISOU 441 CA PRO A 429 8155 7651 10026 -410 695 -744 C ATOM 442 C PRO A 429 -9.792 -6.774 3.307 1.00 66.37 C ANISOU 442 C PRO A 429 7876 7333 10009 -505 761 -842 C ATOM 443 O PRO A 429 -8.973 -6.146 2.624 1.00 72.82 O ANISOU 443 O PRO A 429 8532 8141 10995 -591 888 -864 O ATOM 444 CB PRO A 429 -11.387 -7.782 1.645 1.00 66.50 C ANISOU 444 CB PRO A 429 8001 7495 9772 -409 869 -528 C ATOM 445 CG PRO A 429 -12.526 -8.720 1.888 1.00 64.86 C ANISOU 445 CG PRO A 429 7930 7333 9379 -361 769 -451 C ATOM 446 CD PRO A 429 -12.545 -8.971 3.357 1.00 66.14 C ANISOU 446 CD PRO A 429 8196 7432 9503 -355 629 -548 C ATOM 447 HA PRO A 429 -9.635 -8.601 2.382 1.00 81.46 H ATOM 448 HB2 PRO A 429 -11.684 -6.861 1.710 1.00 79.68 H ATOM 449 HB3 PRO A 429 -10.986 -7.950 0.778 1.00 79.68 H ATOM 450 HG2 PRO A 429 -13.355 -8.305 1.603 1.00 77.70 H ATOM 451 HG3 PRO A 429 -12.374 -9.547 1.404 1.00 77.70 H ATOM 452 HD2 PRO A 429 -13.064 -8.289 3.812 1.00 79.24 H ATOM 453 HD3 PRO A 429 -12.885 -9.861 3.540 1.00 79.24 H ATOM 454 N TYR A 430 -10.190 -6.352 4.503 1.00 56.47 N ANISOU 454 N TYR A 430 6738 5989 8729 -499 687 -908 N ATOM 455 CA TYR A 430 -9.839 -5.036 5.029 1.00 53.69 C ANISOU 455 CA TYR A 430 6360 5490 8549 -590 745 -1012 C ATOM 456 C TYR A 430 -8.778 -5.200 6.110 1.00 51.17 C ANISOU 456 C TYR A 430 5974 5181 8288 -593 527 -1284 C ATOM 457 O TYR A 430 -9.076 -5.660 7.218 1.00 45.89 O ANISOU 457 O TYR A 430 5446 4531 7459 -489 357 -1360 O ATOM 458 CB TYR A 430 -11.083 -4.333 5.561 1.00 51.61 C ANISOU 458 CB TYR A 430 6283 5128 8200 -544 820 -915 C ATOM 459 CG TYR A 430 -12.192 -4.287 4.538 1.00 51.52 C ANISOU 459 CG TYR A 430 6317 5156 8102 -500 992 -661 C ATOM 460 CD1 TYR A 430 -13.163 -5.277 4.493 1.00 52.41 C ANISOU 460 CD1 TYR A 430 6497 5405 8012 -417 943 -543 C ATOM 461 CD2 TYR A 430 -12.252 -3.267 3.599 1.00 51.83 C ANISOU 461 CD2 TYR A 430 6332 5097 8263 -543 1197 -538 C ATOM 462 CE1 TYR A 430 -14.172 -5.245 3.552 1.00 52.90 C ANISOU 462 CE1 TYR A 430 6565 5537 7996 -374 1067 -343 C ATOM 463 CE2 TYR A 430 -13.256 -3.226 2.652 1.00 53.04 C ANISOU 463 CE2 TYR A 430 6528 5315 8310 -462 1326 -314 C ATOM 464 CZ TYR A 430 -14.213 -4.218 2.633 1.00 53.65 C ANISOU 464 CZ TYR A 430 6635 5562 8188 -375 1246 -234 C ATOM 465 OH TYR A 430 -15.216 -4.180 1.693 1.00 52.98 O ANISOU 465 OH TYR A 430 6558 5572 7998 -291 1342 -43 O ATOM 466 H TYR A 430 -10.674 -6.818 5.040 1.00 67.64 H ATOM 467 HA TYR A 430 -9.466 -4.493 4.317 1.00 64.30 H ATOM 468 HB2 TYR A 430 -11.410 -4.811 6.339 1.00 61.81 H ATOM 469 HB3 TYR A 430 -10.855 -3.421 5.800 1.00 61.81 H ATOM 470 HD1 TYR A 430 -13.137 -5.971 5.112 1.00 62.77 H ATOM 471 HD2 TYR A 430 -11.607 -2.597 3.610 1.00 62.07 H ATOM 472 HE1 TYR A 430 -14.819 -5.913 3.537 1.00 63.35 H ATOM 473 HE2 TYR A 430 -13.287 -2.534 2.032 1.00 63.53 H ATOM 474 HH TYR A 430 -15.122 -3.506 1.200 1.00 63.44 H ATOM 475 N HIS A 431 -7.548 -4.817 5.784 1.00 55.00 N ANISOU 475 N HIS A 431 6234 5670 8992 -708 536 -1428 N ATOM 476 CA HIS A 431 -6.409 -4.933 6.681 1.00 58.73 C ANISOU 476 CA HIS A 431 6572 6194 9549 -712 311 -1718 C ATOM 477 C HIS A 431 -6.126 -3.596 7.356 1.00 62.00 C ANISOU 477 C HIS A 431 6969 6434 10156 -859 317 -1890 C ATOM 478 O HIS A 431 -6.480 -2.529 6.851 1.00 64.99 O ANISOU 478 O HIS A 431 7382 6636 10676 -993 537 -1782 O ATOM 479 CB HIS A 431 -5.166 -5.399 5.917 1.00 61.81 C ANISOU 479 CB HIS A 431 6666 6741 10077 -750 305 -1806 C ATOM 480 CG HIS A 431 -5.397 -6.601 5.055 1.00 59.98 C ANISOU 480 CG HIS A 431 6461 6650 9680 -610 327 -1650 C ATOM 481 ND1 HIS A 431 -6.508 -7.406 5.179 1.00 57.05 N ANISOU 481 ND1 HIS A 431 6347 6270 9060 -474 281 -1491 N ATOM 482 CD2 HIS A 431 -4.658 -7.132 4.051 1.00 58.86 C ANISOU 482 CD2 HIS A 431 6118 6658 9587 -589 392 -1644 C ATOM 483 CE1 HIS A 431 -6.444 -8.382 4.291 1.00 54.92 C ANISOU 483 CE1 HIS A 431 6053 6110 8703 -386 295 -1408 C ATOM 484 NE2 HIS A 431 -5.331 -8.239 3.594 1.00 56.45 N ANISOU 484 NE2 HIS A 431 5980 6409 9060 -430 362 -1501 N ATOM 485 H HIS A 431 -7.344 -4.475 5.021 1.00 65.87 H ATOM 486 HA HIS A 431 -6.606 -5.587 7.370 1.00 70.35 H ATOM 487 HB2 HIS A 431 -4.863 -4.677 5.344 1.00 74.04 H ATOM 488 HB3 HIS A 431 -4.472 -5.623 6.557 1.00 74.04 H ATOM 489 HD2 HIS A 431 -3.847 -6.808 3.732 1.00 70.50 H ATOM 490 HE1 HIS A 431 -7.075 -9.056 4.176 1.00 65.77 H ATOM 491 HE2 HIS A 431 -5.070 -8.755 2.957 1.00 67.62 H ATOM 492 N CYS A 432 -5.476 -3.670 8.514 1.00 57.91 N ANISOU 492 N CYS A 432 6417 5956 9632 -815 57 -2169 N ATOM 493 CA CYS A 432 -5.090 -2.482 9.264 1.00 56.51 C ANISOU 493 CA CYS A 432 6217 5618 9637 -953 1 -2404 C ATOM 494 C CYS A 432 -3.689 -2.055 8.838 1.00 64.00 C ANISOU 494 C CYS A 432 6803 6600 10913 -1175 2 -2601 C ATOM 495 O CYS A 432 -2.740 -2.841 8.927 1.00 59.93 O ANISOU 495 O CYS A 432 6059 6308 10405 -1112 -178 -2758 O ATOM 496 CB CYS A 432 -5.139 -2.754 10.767 1.00 58.91 C ANISOU 496 CB CYS A 432 6678 5971 9735 -776 -297 -2626 C ATOM 497 SG CYS A 432 -4.673 -1.342 11.798 1.00 60.65 S ANISOU 497 SG CYS A 432 6900 5998 10145 -917 -425 -2981 S ATOM 498 H CYS A 432 -5.245 -4.408 8.890 1.00 69.37 H ATOM 499 HA CYS A 432 -5.704 -1.759 9.064 1.00 67.69 H ATOM 500 HB2 CYS A 432 -6.044 -3.008 11.007 1.00 70.57 H ATOM 501 HB3 CYS A 432 -4.530 -3.481 10.971 1.00 70.57 H ATOM 502 N ASP A 433 -3.565 -0.813 8.372 1.00 86.25 N ANISOU 502 N ASP A 433 9567 9195 14007 -1431 214 -2588 N ATOM 503 CA ASP A 433 -2.283 -0.272 7.942 1.00 92.27 C ANISOU 503 CA ASP A 433 9972 9964 15122 -1708 269 -2756 C ATOM 504 C ASP A 433 -1.423 0.209 9.103 1.00 92.95 C ANISOU 504 C ASP A 433 9918 10034 15366 -1810 -16 -3174 C ATOM 505 O ASP A 433 -0.308 0.688 8.869 1.00 96.31 O ANISOU 505 O ASP A 433 10001 10478 16116 -2075 2 -3362 O ATOM 506 CB ASP A 433 -2.506 0.883 6.962 1.00107.50 C ANISOU 506 CB ASP A 433 11938 11620 17286 -1963 634 -2546 C ATOM 507 CG ASP A 433 -3.246 0.450 5.712 1.00115.16 C ANISOU 507 CG ASP A 433 13013 12642 18101 -1858 904 -2152 C ATOM 508 OD1 ASP A 433 -2.934 -0.636 5.180 1.00117.13 O ANISOU 508 OD1 ASP A 433 13108 13166 18230 -1735 879 -2091 O ATOM 509 OD2 ASP A 433 -4.144 1.195 5.263 1.00117.71 O ANISOU 509 OD2 ASP A 433 13582 12732 18410 -1875 1126 -1918 O ATOM 510 H ASP A 433 -4.219 -0.259 8.295 1.00103.37 H ATOM 511 HA ASP A 433 -1.791 -0.966 7.476 1.00110.60 H ATOM 512 HB2 ASP A 433 -3.031 1.572 7.399 1.00128.87 H ATOM 513 HB3 ASP A 433 -1.645 1.241 6.693 1.00128.87 H ATOM 514 N TRP A 434 -1.907 0.100 10.336 1.00 76.40 N ANISOU 514 N TRP A 434 8063 7920 13045 -1612 -273 -3329 N ATOM 515 CA TRP A 434 -1.137 0.549 11.486 1.00 77.52 C ANISOU 515 CA TRP A 434 8100 8062 13293 -1672 -582 -3754 C ATOM 516 C TRP A 434 0.111 -0.308 11.654 1.00 85.41 C ANISOU 516 C TRP A 434 8720 9404 14330 -1616 -840 -3993 C ATOM 517 O TRP A 434 0.067 -1.533 11.519 1.00 85.09 O ANISOU 517 O TRP A 434 8681 9605 14045 -1354 -919 -3871 O ATOM 518 CB TRP A 434 -1.993 0.490 12.750 1.00 75.44 C ANISOU 518 CB TRP A 434 8213 7751 12700 -1406 -791 -3840 C ATOM 519 CG TRP A 434 -1.569 1.460 13.804 1.00 78.25 C ANISOU 519 CG TRP A 434 8585 7961 13184 -1512 -1014 -4240 C ATOM 520 CD1 TRP A 434 -0.779 1.206 14.887 1.00 80.45 C ANISOU 520 CD1 TRP A 434 8747 8427 13394 -1410 -1408 -4629 C ATOM 521 CD2 TRP A 434 -1.915 2.847 13.875 1.00 77.87 C ANISOU 521 CD2 TRP A 434 8701 7540 13346 -1723 -877 -4309 C ATOM 522 NE1 TRP A 434 -0.613 2.351 15.629 1.00 81.36 N ANISOU 522 NE1 TRP A 434 8931 8317 13665 -1561 -1533 -4957 N ATOM 523 CE2 TRP A 434 -1.299 3.373 15.027 1.00 79.75 C ANISOU 523 CE2 TRP A 434 8910 7748 13643 -1760 -1206 -4768 C ATOM 524 CE3 TRP A 434 -2.686 3.695 13.074 1.00 75.52 C ANISOU 524 CE3 TRP A 434 8591 6922 13180 -1861 -521 -4033 C ATOM 525 CZ2 TRP A 434 -1.432 4.708 15.401 1.00 82.84 C ANISOU 525 CZ2 TRP A 434 9488 7838 14150 -1903 -1157 -4856 C ATOM 526 CZ3 TRP A 434 -2.815 5.020 13.446 1.00 78.02 C ANISOU 526 CZ3 TRP A 434 9081 6870 13695 -2028 -491 -4211 C ATOM 527 CH2 TRP A 434 -2.192 5.514 14.598 1.00 81.92 C ANISOU 527 CH2 TRP A 434 9569 7376 14179 -2039 -802 -4586 C ATOM 528 H TRP A 434 -2.676 -0.229 10.533 1.00 91.55 H ATOM 529 HA TRP A 434 -0.860 1.468 11.348 1.00 92.90 H ATOM 530 HB2 TRP A 434 -2.911 0.696 12.515 1.00 90.40 H ATOM 531 HB3 TRP A 434 -1.939 -0.403 13.126 1.00 90.40 H ATOM 532 HD1 TRP A 434 -0.408 0.379 15.094 1.00 96.42 H ATOM 533 HE1 TRP A 434 -0.152 2.416 16.352 1.00 97.50 H ATOM 534 HE3 TRP A 434 -3.103 3.374 12.307 1.00 90.49 H ATOM 535 HZ2 TRP A 434 -1.019 5.039 16.165 1.00 99.28 H ATOM 536 HZ3 TRP A 434 -3.325 5.594 12.921 1.00 93.50 H ATOM 537 HH2 TRP A 434 -2.297 6.410 14.823 1.00 98.17 H ATOM 538 N ASP A 435 1.232 0.346 11.951 1.00 94.90 N ANISOU 538 N ASP A 435 9589 10619 15848 -1861 -980 -4347 N ATOM 539 CA ASP A 435 2.495 -0.363 12.110 1.00 95.77 C ANISOU 539 CA ASP A 435 9274 11087 16029 -1808 -1236 -4613 C ATOM 540 C ASP A 435 2.414 -1.336 13.279 1.00 89.09 C ANISOU 540 C ASP A 435 8599 10461 14792 -1390 -1640 -4771 C ATOM 541 O ASP A 435 2.122 -0.939 14.412 1.00 90.34 O ANISOU 541 O ASP A 435 8988 10525 14811 -1302 -1871 -4980 O ATOM 542 CB ASP A 435 3.634 0.633 12.322 1.00103.80 C ANISOU 542 CB ASP A 435 9927 12084 17430 -2147 -1309 -4944 C ATOM 543 CG ASP A 435 3.946 1.439 11.075 1.00107.16 C ANISOU 543 CG ASP A 435 10164 12355 18198 -2530 -878 -4717 C ATOM 544 OD1 ASP A 435 3.670 0.945 9.961 1.00104.74 O ANISOU 544 OD1 ASP A 435 9795 12086 17916 -2544 -600 -4442 O ATOM 545 OD2 ASP A 435 4.471 2.564 11.207 1.00111.43 O ANISOU 545 OD2 ASP A 435 10636 12735 18966 -2809 -817 -4806 O ATOM 546 H ASP A 435 1.286 1.197 12.065 1.00113.75 H ATOM 547 HA ASP A 435 2.680 -0.871 11.305 1.00114.80 H ATOM 548 HB2 ASP A 435 3.385 1.253 13.026 1.00124.44 H ATOM 549 HB3 ASP A 435 4.435 0.148 12.574 1.00124.44 H ATOM 550 N GLY A 436 2.671 -2.611 13.000 1.00 87.36 N ANISOU 550 N GLY A 436 8293 10522 14378 -1117 -1719 -4666 N ATOM 551 CA GLY A 436 2.712 -3.619 14.040 1.00 87.04 C ANISOU 551 CA GLY A 436 8414 10688 13967 -706 -2095 -4790 C ATOM 552 C GLY A 436 1.366 -4.075 14.552 1.00 87.52 C ANISOU 552 C GLY A 436 9026 10611 13618 -449 -2067 -4523 C ATOM 553 O GLY A 436 1.283 -4.554 15.687 1.00 89.00 O ANISOU 553 O GLY A 436 9430 10893 13494 -155 -2372 -4654 O ATOM 554 H GLY A 436 2.825 -2.914 12.210 1.00104.71 H ATOM 555 HA2 GLY A 436 3.181 -4.398 13.702 1.00104.32 H ATOM 556 HA3 GLY A 436 3.214 -3.271 14.793 1.00104.32 H ATOM 557 N CYS A 437 0.306 -3.948 13.752 1.00 82.91 N ANISOU 557 N CYS A 437 8665 9823 13013 -543 -1708 -4150 N ATOM 558 CA CYS A 437 -1.033 -4.362 14.163 1.00 80.35 C ANISOU 558 CA CYS A 437 8814 9388 12329 -336 -1643 -3884 C ATOM 559 C CYS A 437 -1.454 -5.664 13.489 1.00 81.39 C ANISOU 559 C CYS A 437 9053 9614 12258 -150 -1544 -3567 C ATOM 560 O CYS A 437 -1.798 -6.636 14.168 1.00 84.46 O ANISOU 560 O CYS A 437 9700 10078 12311 137 -1712 -3501 O ATOM 561 CB CYS A 437 -2.042 -3.249 13.854 1.00 72.90 C ANISOU 561 CB CYS A 437 8060 8154 11487 -547 -1340 -3717 C ATOM 562 SG CYS A 437 -3.724 -3.608 14.396 1.00 66.70 S ANISOU 562 SG CYS A 437 7786 7270 10288 -316 -1235 -3417 S ATOM 563 H CYS A 437 0.339 -3.621 12.957 1.00 99.36 H ATOM 564 HA CYS A 437 -1.040 -4.509 15.122 1.00 96.30 H ATOM 565 HB2 CYS A 437 -1.755 -2.436 14.299 1.00 87.36 H ATOM 566 HB3 CYS A 437 -2.065 -3.107 12.895 1.00 87.36 H ATOM 567 N GLY A 438 -1.434 -5.700 12.158 1.00 73.30 N ANISOU 567 N GLY A 438 7855 8572 11422 -309 -1272 -3369 N ATOM 568 CA GLY A 438 -1.736 -6.915 11.427 1.00 69.97 C ANISOU 568 CA GLY A 438 7513 8235 10838 -148 -1195 -3116 C ATOM 569 C GLY A 438 -3.174 -7.379 11.489 1.00 67.18 C ANISOU 569 C GLY A 438 7563 7754 10206 -48 -1069 -2804 C ATOM 570 O GLY A 438 -3.468 -8.487 11.032 1.00 64.78 O ANISOU 570 O GLY A 438 7368 7499 9745 91 -1051 -2619 O ATOM 571 H GLY A 438 -1.247 -5.027 11.657 1.00 87.83 H ATOM 572 HA2 GLY A 438 -1.508 -6.782 10.494 1.00 83.84 H ATOM 573 HA3 GLY A 438 -1.179 -7.631 11.770 1.00 83.84 H ATOM 574 N TRP A 439 -4.083 -6.573 12.031 1.00 74.86 N ANISOU 574 N TRP A 439 8753 8568 11121 -116 -980 -2751 N ATOM 575 CA TRP A 439 -5.476 -6.979 12.141 1.00 69.86 C ANISOU 575 CA TRP A 439 8456 7854 10233 -31 -849 -2466 C ATOM 576 C TRP A 439 -6.181 -6.895 10.791 1.00 63.10 C ANISOU 576 C TRP A 439 7566 6931 9478 -172 -542 -2186 C ATOM 577 O TRP A 439 -5.814 -6.104 9.917 1.00 58.48 O ANISOU 577 O TRP A 439 6769 6297 9153 -359 -376 -2192 O ATOM 578 CB TRP A 439 -6.212 -6.114 13.165 1.00 72.87 C ANISOU 578 CB TRP A 439 9056 8125 10507 -21 -844 -2519 C ATOM 579 CG TRP A 439 -6.152 -6.656 14.562 1.00 73.45 C ANISOU 579 CG TRP A 439 9345 8283 10280 219 -1109 -2647 C ATOM 580 CD1 TRP A 439 -5.164 -6.451 15.481 1.00 76.13 C ANISOU 580 CD1 TRP A 439 9610 8705 10612 310 -1402 -2979 C ATOM 581 CD2 TRP A 439 -7.123 -7.496 15.198 1.00 72.08 C ANISOU 581 CD2 TRP A 439 9502 8131 9755 401 -1100 -2440 C ATOM 582 NE1 TRP A 439 -5.460 -7.110 16.649 1.00 77.34 N ANISOU 582 NE1 TRP A 439 10056 8930 10398 573 -1583 -2982 N ATOM 583 CE2 TRP A 439 -6.657 -7.759 16.502 1.00 74.24 C ANISOU 583 CE2 TRP A 439 9922 8493 9795 620 -1382 -2639 C ATOM 584 CE3 TRP A 439 -8.342 -8.050 14.792 1.00 68.04 C ANISOU 584 CE3 TRP A 439 9166 7581 9106 388 -880 -2109 C ATOM 585 CZ2 TRP A 439 -7.366 -8.552 17.402 1.00 73.94 C ANISOU 585 CZ2 TRP A 439 10228 8489 9377 828 -1418 -2484 C ATOM 586 CZ3 TRP A 439 -9.044 -8.837 15.688 1.00 69.51 C ANISOU 586 CZ3 TRP A 439 9658 7801 8953 557 -914 -1971 C ATOM 587 CH2 TRP A 439 -8.554 -9.080 16.978 1.00 71.26 C ANISOU 587 CH2 TRP A 439 10049 8094 8933 775 -1166 -2141 C ATOM 588 H TRP A 439 -3.917 -5.788 12.341 1.00 89.70 H ATOM 589 HA TRP A 439 -5.514 -7.900 12.443 1.00 83.71 H ATOM 590 HB2 TRP A 439 -5.815 -5.229 13.172 1.00 87.32 H ATOM 591 HB3 TRP A 439 -7.146 -6.054 12.910 1.00 87.32 H ATOM 592 HD1 TRP A 439 -4.401 -5.941 15.338 1.00 91.23 H ATOM 593 HE1 TRP A 439 -4.973 -7.115 17.358 1.00 92.68 H ATOM 594 HE3 TRP A 439 -8.674 -7.893 13.937 1.00 81.53 H ATOM 595 HZ2 TRP A 439 -7.044 -8.715 18.259 1.00 88.60 H ATOM 596 HZ3 TRP A 439 -9.855 -9.211 15.430 1.00 83.29 H ATOM 597 HH2 TRP A 439 -9.047 -9.613 17.559 1.00 85.39 H ATOM 598 N LYS A 440 -7.206 -7.729 10.632 1.00 61.86 N ANISOU 598 N LYS A 440 7626 6773 9104 -83 -468 -1937 N ATOM 599 CA LYS A 440 -8.013 -7.766 9.423 1.00 62.82 C ANISOU 599 CA LYS A 440 7742 6861 9267 -179 -219 -1680 C ATOM 600 C LYS A 440 -9.472 -7.929 9.820 1.00 62.97 C ANISOU 600 C LYS A 440 8018 6837 9071 -136 -124 -1473 C ATOM 601 O LYS A 440 -9.783 -8.508 10.864 1.00 67.62 O ANISOU 601 O LYS A 440 8807 7447 9440 -13 -249 -1478 O ATOM 602 CB LYS A 440 -7.588 -8.910 8.493 1.00 61.12 C ANISOU 602 CB LYS A 440 7442 6741 9040 -126 -246 -1613 C ATOM 603 CG LYS A 440 -6.090 -8.997 8.254 1.00 63.21 C ANISOU 603 CG LYS A 440 7435 7110 9470 -110 -368 -1835 C ATOM 604 CD LYS A 440 -5.721 -10.300 7.571 1.00 70.13 C ANISOU 604 CD LYS A 440 8294 8085 10269 25 -436 -1794 C ATOM 605 CE LYS A 440 -4.219 -10.510 7.541 1.00 75.35 C ANISOU 605 CE LYS A 440 8677 8895 11056 107 -593 -2041 C ATOM 606 NZ LYS A 440 -3.526 -9.545 6.645 1.00 76.52 N ANISOU 606 NZ LYS A 440 8489 9099 11485 -87 -401 -2099 N ATOM 607 H LYS A 440 -7.457 -8.296 11.228 1.00 74.10 H ATOM 608 HA LYS A 440 -7.916 -6.929 8.944 1.00 75.26 H ATOM 609 HB2 LYS A 440 -7.874 -9.750 8.884 1.00 73.22 H ATOM 610 HB3 LYS A 440 -8.017 -8.787 7.632 1.00 73.22 H ATOM 611 HG2 LYS A 440 -5.812 -8.263 7.683 1.00 75.72 H ATOM 612 HG3 LYS A 440 -5.622 -8.961 9.102 1.00 75.72 H ATOM 613 HD2 LYS A 440 -6.121 -11.039 8.055 1.00 84.04 H ATOM 614 HD3 LYS A 440 -6.044 -10.284 6.656 1.00 84.04 H ATOM 615 HE2 LYS A 440 -3.863 -10.402 8.437 1.00 90.29 H ATOM 616 HE3 LYS A 440 -4.036 -11.403 7.214 1.00 90.29 H ATOM 617 HZ1 LYS A 440 -2.649 -9.698 6.653 1.00 91.70 H ATOM 618 HZ2 LYS A 440 -3.827 -9.633 5.812 1.00 91.70 H ATOM 619 HZ3 LYS A 440 -3.677 -8.712 6.921 1.00 91.70 H ATOM 620 N PHE A 441 -10.369 -7.416 8.980 1.00 60.56 N ANISOU 620 N PHE A 441 7700 6489 8821 -229 106 -1285 N ATOM 621 CA PHE A 441 -11.789 -7.413 9.298 1.00 59.23 C ANISOU 621 CA PHE A 441 7707 6316 8483 -199 219 -1103 C ATOM 622 C PHE A 441 -12.601 -7.762 8.061 1.00 54.99 C ANISOU 622 C PHE A 441 7124 5821 7948 -255 377 -879 C ATOM 623 O PHE A 441 -12.154 -7.588 6.925 1.00 51.04 O ANISOU 623 O PHE A 441 6476 5325 7593 -316 450 -856 O ATOM 624 CB PHE A 441 -12.230 -6.055 9.855 1.00 62.38 C ANISOU 624 CB PHE A 441 8153 6624 8925 -204 319 -1156 C ATOM 625 CG PHE A 441 -11.508 -5.660 11.106 1.00 67.88 C ANISOU 625 CG PHE A 441 8911 7283 9599 -143 144 -1410 C ATOM 626 CD1 PHE A 441 -10.328 -4.938 11.041 1.00 71.87 C ANISOU 626 CD1 PHE A 441 9261 7715 10332 -228 65 -1635 C ATOM 627 CD2 PHE A 441 -12.000 -6.021 12.348 1.00 71.77 C ANISOU 627 CD2 PHE A 441 9609 7826 9835 -6 57 -1429 C ATOM 628 CE1 PHE A 441 -9.656 -4.577 12.192 1.00 76.75 C ANISOU 628 CE1 PHE A 441 9918 8315 10930 -174 -133 -1906 C ATOM 629 CE2 PHE A 441 -11.334 -5.664 13.502 1.00 77.25 C ANISOU 629 CE2 PHE A 441 10374 8506 10471 81 -129 -1681 C ATOM 630 CZ PHE A 441 -10.160 -4.941 13.425 1.00 78.45 C ANISOU 630 CZ PHE A 441 10360 8589 10859 -1 -243 -1936 C ATOM 631 H PHE A 441 -10.178 -7.064 8.219 1.00 72.55 H ATOM 632 HA PHE A 441 -11.968 -8.087 9.972 1.00 70.95 H ATOM 633 HB2 PHE A 441 -12.062 -5.372 9.187 1.00 74.74 H ATOM 634 HB3 PHE A 441 -13.178 -6.092 10.058 1.00 74.74 H ATOM 635 HD1 PHE A 441 -9.985 -4.691 10.212 1.00 86.12 H ATOM 636 HD2 PHE A 441 -12.790 -6.508 12.405 1.00 86.00 H ATOM 637 HE1 PHE A 441 -8.866 -4.090 12.137 1.00 91.98 H ATOM 638 HE2 PHE A 441 -11.675 -5.910 14.331 1.00 92.57 H ATOM 639 HZ PHE A 441 -9.710 -4.699 14.202 1.00 94.02 H ATOM 640 N ALA A 442 -13.814 -8.261 8.305 1.00 56.29 N ANISOU 640 N ALA A 442 7411 6036 7942 -233 432 -717 N ATOM 641 CA ALA A 442 -14.698 -8.663 7.218 1.00 55.56 C ANISOU 641 CA ALA A 442 7268 6010 7833 -286 544 -529 C ATOM 642 C ALA A 442 -15.363 -7.460 6.561 1.00 54.03 C ANISOU 642 C ALA A 442 6989 5813 7727 -295 733 -439 C ATOM 643 O ALA A 442 -15.576 -7.457 5.343 1.00 54.44 O ANISOU 643 O ALA A 442 6947 5910 7828 -321 812 -338 O ATOM 644 CB ALA A 442 -15.758 -9.632 7.742 1.00 56.33 C ANISOU 644 CB ALA A 442 7493 6170 7742 -295 536 -399 C ATOM 645 H ALA A 442 -14.145 -8.375 9.090 1.00 67.43 H ATOM 646 HA ALA A 442 -14.178 -9.124 6.542 1.00 66.55 H ATOM 647 HB1 ALA A 442 -16.338 -9.891 7.009 1.00 67.47 H ATOM 648 HB2 ALA A 442 -15.317 -10.415 8.107 1.00 67.47 H ATOM 649 HB3 ALA A 442 -16.275 -9.190 8.434 1.00 67.47 H ATOM 650 N ARG A 443 -15.693 -6.437 7.343 1.00 41.16 N ANISOU 650 N ARG A 443 5416 4127 6097 -244 799 -480 N ATOM 651 CA ARG A 443 -16.394 -5.263 6.848 1.00 41.49 C ANISOU 651 CA ARG A 443 5425 4138 6203 -206 972 -392 C ATOM 652 C ARG A 443 -15.498 -4.035 6.917 1.00 42.64 C ANISOU 652 C ARG A 443 5570 4098 6534 -223 1002 -528 C ATOM 653 O ARG A 443 -14.641 -3.918 7.796 1.00 43.50 O ANISOU 653 O ARG A 443 5716 4129 6684 -243 883 -721 O ATOM 654 CB ARG A 443 -17.674 -5.011 7.647 1.00 42.05 C ANISOU 654 CB ARG A 443 5570 4286 6122 -109 1051 -324 C ATOM 655 CG ARG A 443 -18.742 -6.070 7.442 1.00 41.47 C ANISOU 655 CG ARG A 443 5453 4400 5903 -136 1068 -166 C ATOM 656 CD ARG A 443 -19.977 -5.830 8.302 1.00 42.50 C ANISOU 656 CD ARG A 443 5614 4648 5886 -49 1173 -103 C ATOM 657 NE ARG A 443 -20.410 -4.435 8.293 1.00 43.47 N ANISOU 657 NE ARG A 443 5736 4725 6055 95 1298 -113 N ATOM 658 CZ ARG A 443 -21.653 -4.029 8.537 1.00 44.51 C ANISOU 658 CZ ARG A 443 5825 5000 6088 217 1428 -28 C ATOM 659 NH1 ARG A 443 -21.940 -2.736 8.511 1.00 46.84 N ANISOU 659 NH1 ARG A 443 6154 5214 6429 385 1526 -53 N ATOM 660 NH2 ARG A 443 -22.612 -4.907 8.795 1.00 45.08 N ANISOU 660 NH2 ARG A 443 5815 5289 6023 172 1465 79 N ATOM 661 H ARG A 443 -15.516 -6.401 8.184 1.00 49.27 H ATOM 662 HA ARG A 443 -16.642 -5.403 5.921 1.00 49.67 H ATOM 663 HB2 ARG A 443 -17.456 -4.988 8.590 1.00 50.34 H ATOM 664 HB3 ARG A 443 -18.041 -4.157 7.372 1.00 50.34 H ATOM 665 HG2 ARG A 443 -19.018 -6.066 6.512 1.00 49.64 H ATOM 666 HG3 ARG A 443 -18.377 -6.938 7.676 1.00 49.64 H ATOM 667 HD2 ARG A 443 -20.702 -6.376 7.961 1.00 50.87 H ATOM 668 HD3 ARG A 443 -19.778 -6.077 9.219 1.00 50.87 H ATOM 669 HE ARG A 443 -19.798 -3.833 8.314 1.00 52.04 H ATOM 670 HH11 ARG A 443 -21.323 -2.162 8.340 1.00 56.08 H ATOM 671 HH12 ARG A 443 -22.744 -2.471 8.663 1.00 56.08 H ATOM 672 HH21 ARG A 443 -22.438 -5.748 8.816 1.00 53.97 H ATOM 673 HH22 ARG A 443 -23.412 -4.633 8.949 1.00 53.97 H ATOM 674 N SER A 444 -15.709 -3.114 5.974 1.00 54.17 N ANISOU 674 N SER A 444 7122 7236 6223 -1779 665 -737 N ATOM 675 CA SER A 444 -14.916 -1.891 5.946 1.00 52.05 C ANISOU 675 CA SER A 444 6624 6975 6177 -1742 811 -758 C ATOM 676 C SER A 444 -15.197 -1.026 7.168 1.00 51.10 C ANISOU 676 C SER A 444 6300 6866 6250 -1647 656 -697 C ATOM 677 O SER A 444 -14.272 -0.451 7.754 1.00 48.89 O ANISOU 677 O SER A 444 5797 6537 6243 -1529 689 -828 O ATOM 678 CB SER A 444 -15.199 -1.113 4.662 1.00 51.41 C ANISOU 678 CB SER A 444 6645 6951 5936 -1918 966 -606 C ATOM 679 OG SER A 444 -16.497 -0.549 4.679 1.00 50.45 O ANISOU 679 OG SER A 444 6572 6907 5688 -2003 787 -375 O ATOM 680 H SER A 444 -16.297 -3.174 5.349 1.00 64.87 H ATOM 681 HA SER A 444 -13.975 -2.125 5.954 1.00 62.33 H ATOM 682 HB2 SER A 444 -14.546 -0.401 4.574 1.00 61.56 H ATOM 683 HB3 SER A 444 -15.134 -1.717 3.907 1.00 61.56 H ATOM 684 HG SER A 444 -16.636 -0.126 3.967 1.00 60.41 H ATOM 685 N ASP A 445 -16.466 -0.919 7.570 1.00 49.52 N ANISOU 685 N ASP A 445 6159 6729 5926 -1695 487 -522 N ATOM 686 CA ASP A 445 -16.794 -0.126 8.749 1.00 51.27 C ANISOU 686 CA ASP A 445 6218 6963 6301 -1591 365 -479 C ATOM 687 C ASP A 445 -16.193 -0.734 10.008 1.00 47.76 C ANISOU 687 C ASP A 445 5741 6444 5960 -1392 260 -647 C ATOM 688 O ASP A 445 -15.819 -0.003 10.932 1.00 50.73 O ANISOU 688 O ASP A 445 5961 6797 6517 -1257 191 -716 O ATOM 689 CB ASP A 445 -18.310 0.013 8.893 1.00 60.96 C ANISOU 689 CB ASP A 445 7497 8278 7386 -1678 243 -275 C ATOM 690 CG ASP A 445 -18.993 -1.306 9.190 1.00 66.68 C ANISOU 690 CG ASP A 445 8388 9002 7944 -1718 156 -264 C ATOM 691 OD1 ASP A 445 -19.002 -1.720 10.369 1.00 68.75 O ANISOU 691 OD1 ASP A 445 8662 9221 8239 -1597 91 -313 O ATOM 692 OD2 ASP A 445 -19.529 -1.925 8.247 1.00 70.83 O ANISOU 692 OD2 ASP A 445 9058 9556 8296 -1876 151 -208 O ATOM 693 H ASP A 445 -17.140 -1.289 7.184 1.00 59.30 H ATOM 694 HA ASP A 445 -16.422 0.764 8.642 1.00 61.40 H ATOM 695 HB2 ASP A 445 -18.504 0.622 9.623 1.00 73.03 H ATOM 696 HB3 ASP A 445 -18.676 0.360 8.064 1.00 73.03 H ATOM 697 N ASP A 446 -16.090 -2.064 10.067 1.00 47.97 N ANISOU 697 N ASP A 446 5944 6416 5865 -1360 224 -718 N ATOM 698 CA ASP A 446 -15.417 -2.699 11.194 1.00 46.72 C ANISOU 698 CA ASP A 446 5807 6160 5784 -1139 102 -873 C ATOM 699 C ASP A 446 -13.986 -2.195 11.328 1.00 47.69 C ANISOU 699 C ASP A 446 5698 6232 6190 -986 123 -1094 C ATOM 700 O ASP A 446 -13.529 -1.884 12.434 1.00 47.85 O ANISOU 700 O ASP A 446 5619 6212 6349 -796 -32 -1202 O ATOM 701 CB ASP A 446 -15.433 -4.220 11.032 1.00 47.53 C ANISOU 701 CB ASP A 446 6163 6170 5728 -1132 80 -915 C ATOM 702 CG ASP A 446 -16.826 -4.803 11.138 1.00 47.06 C ANISOU 702 CG ASP A 446 6308 6130 5443 -1288 38 -723 C ATOM 703 OD1 ASP A 446 -17.756 -4.058 11.511 1.00 46.14 O ANISOU 703 OD1 ASP A 446 6113 6110 5306 -1359 16 -571 O ATOM 704 OD2 ASP A 446 -16.989 -6.010 10.854 1.00 47.94 O ANISOU 704 OD2 ASP A 446 6642 6147 5425 -1341 34 -739 O ATOM 705 H ASP A 446 -16.396 -2.610 9.477 1.00 57.43 H ATOM 706 HA ASP A 446 -15.891 -2.478 12.011 1.00 55.94 H ATOM 707 HB2 ASP A 446 -15.077 -4.450 10.160 1.00 56.92 H ATOM 708 HB3 ASP A 446 -14.888 -4.618 11.729 1.00 56.92 H ATOM 709 N LEU A 447 -13.263 -2.104 10.209 1.00 48.76 N ANISOU 709 N LEU A 447 5742 6366 6419 -1069 319 -1177 N ATOM 710 CA LEU A 447 -11.899 -1.588 10.249 1.00 50.22 C ANISOU 710 CA LEU A 447 5642 6502 6935 -962 387 -1400 C ATOM 711 C LEU A 447 -11.877 -0.120 10.656 1.00 49.81 C ANISOU 711 C LEU A 447 5365 6474 7085 -989 371 -1369 C ATOM 712 O LEU A 447 -10.989 0.309 11.401 1.00 50.75 O ANISOU 712 O LEU A 447 5252 6539 7492 -841 267 -1565 O ATOM 713 CB LEU A 447 -11.226 -1.774 8.888 1.00 51.89 C ANISOU 713 CB LEU A 447 5821 6710 7183 -1080 680 -1476 C ATOM 714 CG LEU A 447 -9.799 -1.229 8.762 1.00 56.64 C ANISOU 714 CG LEU A 447 6077 7265 8179 -1018 833 -1714 C ATOM 715 CD1 LEU A 447 -8.836 -2.021 9.634 1.00 60.06 C ANISOU 715 CD1 LEU A 447 6374 7614 8833 -737 640 -1988 C ATOM 716 CD2 LEU A 447 -9.341 -1.235 7.312 1.00 57.26 C ANISOU 716 CD2 LEU A 447 6165 7356 8234 -1186 1213 -1733 C ATOM 717 H LEU A 447 -13.537 -2.332 9.426 1.00 58.39 H ATOM 718 HA LEU A 447 -11.392 -2.089 10.906 1.00 60.13 H ATOM 719 HB2 LEU A 447 -11.191 -2.723 8.693 1.00 62.14 H ATOM 720 HB3 LEU A 447 -11.766 -1.327 8.217 1.00 62.14 H ATOM 721 HG LEU A 447 -9.783 -0.309 9.067 1.00 67.84 H ATOM 722 HD11 LEU A 447 -7.942 -1.662 9.522 1.00 71.95 H ATOM 723 HD12 LEU A 447 -9.111 -1.942 10.561 1.00 71.95 H ATOM 724 HD13 LEU A 447 -8.855 -2.952 9.361 1.00 71.95 H ATOM 725 HD21 LEU A 447 -8.452 -0.850 7.261 1.00 68.58 H ATOM 726 HD22 LEU A 447 -9.324 -2.150 6.990 1.00 68.58 H ATOM 727 HD23 LEU A 447 -9.961 -0.709 6.783 1.00 68.58 H ATOM 728 N THR A 448 -12.840 0.667 10.169 1.00 56.32 N ANISOU 728 N THR A 448 6255 7366 7779 -1168 449 -1138 N ATOM 729 CA THR A 448 -12.885 2.083 10.519 1.00 59.66 C ANISOU 729 CA THR A 448 6497 7779 8394 -1190 438 -1099 C ATOM 730 C THR A 448 -12.992 2.268 12.027 1.00 58.86 C ANISOU 730 C THR A 448 6347 7656 8361 -992 174 -1185 C ATOM 731 O THR A 448 -12.361 3.166 12.597 1.00 59.27 O ANISOU 731 O THR A 448 6187 7648 8685 -921 111 -1325 O ATOM 732 CB THR A 448 -14.059 2.762 9.812 1.00 54.19 C ANISOU 732 CB THR A 448 5927 7149 7514 -1368 511 -821 C ATOM 733 OG1 THR A 448 -13.934 2.586 8.395 1.00 55.21 O ANISOU 733 OG1 THR A 448 6163 7292 7521 -1538 737 -743 O ATOM 734 CG2 THR A 448 -14.096 4.253 10.128 1.00 53.08 C ANISOU 734 CG2 THR A 448 5623 6957 7587 -1379 508 -779 C ATOM 735 H THR A 448 -13.469 0.408 9.642 1.00 67.46 H ATOM 736 HA THR A 448 -12.066 2.509 10.221 1.00 71.47 H ATOM 737 HB THR A 448 -14.891 2.364 10.114 1.00 64.91 H ATOM 738 HG1 THR A 448 -13.946 1.768 8.205 1.00 66.12 H ATOM 739 HG21 THR A 448 -14.728 4.699 9.542 1.00 63.57 H ATOM 740 HG22 THR A 448 -14.369 4.393 11.048 1.00 63.57 H ATOM 741 HG23 THR A 448 -13.217 4.642 9.996 1.00 63.57 H ATOM 742 N ARG A 449 -13.787 1.427 12.691 1.00 46.94 N ANISOU 742 N ARG A 449 5054 6183 6599 -910 27 -1109 N ATOM 743 CA ARG A 449 -13.893 1.500 14.144 1.00 46.82 C ANISOU 743 CA ARG A 449 5071 6144 6575 -707 -199 -1184 C ATOM 744 C ARG A 449 -12.574 1.128 14.809 1.00 48.42 C ANISOU 744 C ARG A 449 5169 6258 6973 -489 -362 -1466 C ATOM 745 O ARG A 449 -12.161 1.766 15.784 1.00 49.18 O ANISOU 745 O ARG A 449 5160 6313 7213 -334 -544 -1614 O ATOM 746 CB ARG A 449 -15.006 0.579 14.635 1.00 45.97 C ANISOU 746 CB ARG A 449 5246 6076 6144 -694 -257 -1025 C ATOM 747 CG ARG A 449 -16.399 0.919 14.138 1.00 44.85 C ANISOU 747 CG ARG A 449 5159 6032 5849 -885 -148 -774 C ATOM 748 CD ARG A 449 -17.315 -0.268 14.361 1.00 44.64 C ANISOU 748 CD ARG A 449 5377 6025 5559 -929 -157 -649 C ATOM 749 NE ARG A 449 -18.715 0.105 14.535 1.00 44.11 N ANISOU 749 NE ARG A 449 5321 6051 5389 -1030 -117 -457 N ATOM 750 CZ ARG A 449 -19.663 -0.738 14.936 1.00 44.33 C ANISOU 750 CZ ARG A 449 5515 6094 5233 -1086 -98 -344 C ATOM 751 NH1 ARG A 449 -20.913 -0.321 15.067 1.00 44.27 N ANISOU 751 NH1 ARG A 449 5446 6182 5195 -1178 -42 -194 N ATOM 752 NH2 ARG A 449 -19.361 -1.999 15.212 1.00 44.97 N ANISOU 752 NH2 ARG A 449 5817 6082 5188 -1051 -127 -385 N ATOM 753 H ARG A 449 -14.268 0.814 12.327 1.00 56.21 H ATOM 754 HA ARG A 449 -14.116 2.408 14.402 1.00 56.06 H ATOM 755 HB2 ARG A 449 -14.806 -0.325 14.346 1.00 55.04 H ATOM 756 HB3 ARG A 449 -15.027 0.612 15.604 1.00 55.04 H ATOM 757 HG2 ARG A 449 -16.747 1.677 14.633 1.00 53.69 H ATOM 758 HG3 ARG A 449 -16.369 1.114 13.188 1.00 53.69 H ATOM 759 HD2 ARG A 449 -17.257 -0.858 13.593 1.00 53.44 H ATOM 760 HD3 ARG A 449 -17.030 -0.737 15.160 1.00 53.44 H ATOM 761 HE ARG A 449 -18.924 0.935 14.452 1.00 52.81 H ATOM 762 HH11 ARG A 449 -21.114 0.496 14.891 1.00 53.00 H ATOM 763 HH12 ARG A 449 -21.523 -0.867 15.329 1.00 53.00 H ATOM 764 HH21 ARG A 449 -18.553 -2.280 15.130 1.00 53.84 H ATOM 765 HH22 ARG A 449 -19.977 -2.539 15.472 1.00 53.84 H ATOM 766 N HIS A 450 -11.902 0.094 14.296 1.00 49.31 N ANISOU 766 N HIS A 450 5306 6331 7099 -457 -322 -1562 N ATOM 767 CA HIS A 450 -10.631 -0.323 14.875 1.00 54.79 C ANISOU 767 CA HIS A 450 5868 6937 8012 -219 -504 -1845 C ATOM 768 C HIS A 450 -9.596 0.792 14.812 1.00 57.29 C ANISOU 768 C HIS A 450 5792 7226 8750 -224 -489 -2057 C ATOM 769 O HIS A 450 -8.701 0.855 15.662 1.00 56.53 O ANISOU 769 O HIS A 450 5536 7067 8876 -7 -740 -2309 O ATOM 770 CB HIS A 450 -10.117 -1.572 14.158 1.00 68.48 C ANISOU 770 CB HIS A 450 7672 8625 9722 -192 -416 -1915 C ATOM 771 CG HIS A 450 -8.783 -2.045 14.646 1.00 82.80 C ANISOU 771 CG HIS A 450 9311 10344 11804 77 -608 -2220 C ATOM 772 ND1 HIS A 450 -8.609 -2.646 15.874 1.00 85.21 N ANISOU 772 ND1 HIS A 450 9784 10570 12022 369 -952 -2306 N ATOM 773 CD2 HIS A 450 -7.558 -2.010 14.068 1.00 85.96 C ANISOU 773 CD2 HIS A 450 9377 10713 12570 112 -506 -2465 C ATOM 774 CE1 HIS A 450 -7.335 -2.957 16.033 1.00 88.41 C ANISOU 774 CE1 HIS A 450 9956 10900 12737 591 -1106 -2597 C ATOM 775 NE2 HIS A 450 -6.676 -2.582 14.952 1.00 92.09 N ANISOU 775 NE2 HIS A 450 10084 11399 13507 434 -826 -2710 N ATOM 776 H HIS A 450 -12.159 -0.374 13.622 1.00 59.05 H ATOM 777 HA HIS A 450 -10.769 -0.550 15.808 1.00 65.62 H ATOM 778 HB2 HIS A 450 -10.753 -2.292 14.291 1.00 82.05 H ATOM 779 HB3 HIS A 450 -10.034 -1.377 13.211 1.00 82.05 H ATOM 780 HD1 HIS A 450 -9.232 -2.794 16.447 1.00102.13 H ATOM 781 HD2 HIS A 450 -7.352 -1.661 13.231 1.00103.03 H ATOM 782 HE1 HIS A 450 -6.965 -3.371 16.779 1.00105.97 H ATOM 783 N TYR A 451 -9.697 1.681 13.820 1.00 84.69 N ANISOU 783 N TYR A 451 9113 10726 12340 -471 -212 -1963 N ATOM 784 CA TYR A 451 -8.786 2.820 13.766 1.00 81.62 C ANISOU 784 CA TYR A 451 8360 10279 12372 -523 -160 -2142 C ATOM 785 C TYR A 451 -9.022 3.779 14.924 1.00 78.39 C ANISOU 785 C TYR A 451 7912 9838 12035 -426 -412 -2195 C ATOM 786 O TYR A 451 -8.089 4.465 15.356 1.00 78.68 O ANISOU 786 O TYR A 451 7652 9796 12446 -370 -527 -2446 O ATOM 787 CB TYR A 451 -8.930 3.560 12.435 1.00 77.99 C ANISOU 787 CB TYR A 451 7835 9828 11970 -818 219 -1980 C ATOM 788 CG TYR A 451 -8.153 2.942 11.294 1.00 77.09 C ANISOU 788 CG TYR A 451 7632 9712 11947 -909 511 -2055 C ATOM 789 CD1 TYR A 451 -6.771 2.814 11.357 1.00 78.64 C ANISOU 789 CD1 TYR A 451 7480 9847 12553 -822 538 -2370 C ATOM 790 CD2 TYR A 451 -8.798 2.502 10.145 1.00 77.04 C ANISOU 790 CD2 TYR A 451 7881 9767 11625 -1076 761 -1835 C ATOM 791 CE1 TYR A 451 -6.056 2.253 10.317 1.00 79.85 C ANISOU 791 CE1 TYR A 451 7540 10001 12800 -893 853 -2458 C ATOM 792 CE2 TYR A 451 -8.089 1.940 9.098 1.00 77.62 C ANISOU 792 CE2 TYR A 451 7913 9836 11744 -1149 1055 -1921 C ATOM 793 CZ TYR A 451 -6.720 1.819 9.190 1.00 80.41 C ANISOU 793 CZ TYR A 451 7916 10129 12508 -1055 1126 -2231 C ATOM 794 OH TYR A 451 -6.010 1.262 8.151 1.00 86.31 O ANISOU 794 OH TYR A 451 8608 10874 13311 -1116 1464 -2335 O ATOM 795 H TYR A 451 -10.272 1.647 13.181 1.00101.50 H ATOM 796 HA TYR A 451 -7.875 2.495 13.834 1.00 97.81 H ATOM 797 HB2 TYR A 451 -9.867 3.569 12.184 1.00 93.46 H ATOM 798 HB3 TYR A 451 -8.613 4.470 12.549 1.00 93.46 H ATOM 799 HD1 TYR A 451 -6.320 3.104 12.117 1.00 94.25 H ATOM 800 HD2 TYR A 451 -9.722 2.581 10.081 1.00 92.33 H ATOM 801 HE1 TYR A 451 -5.131 2.171 10.376 1.00 95.70 H ATOM 802 HE2 TYR A 451 -8.534 1.646 8.336 1.00 93.02 H ATOM 803 HH TYR A 451 -6.533 1.042 7.531 1.00103.44 H ATOM 804 N ARG A 452 -10.254 3.848 15.437 1.00 70.18 N ANISOU 804 N ARG A 452 7155 8853 10659 -407 -492 -1984 N ATOM 805 CA ARG A 452 -10.517 4.686 16.602 1.00 69.01 C ANISOU 805 CA ARG A 452 7017 8672 10531 -282 -719 -2054 C ATOM 806 C ARG A 452 -9.666 4.248 17.785 1.00 73.71 C ANISOU 806 C ARG A 452 7587 9215 11203 7 -1075 -2341 C ATOM 807 O ARG A 452 -9.182 5.085 18.557 1.00 76.67 O ANISOU 807 O ARG A 452 7813 9524 11796 105 -1284 -2553 O ATOM 808 CB ARG A 452 -12.000 4.638 16.972 1.00 67.43 C ANISOU 808 CB ARG A 452 7126 8552 9943 -287 -707 -1791 C ATOM 809 CG ARG A 452 -12.957 4.908 15.823 1.00 69.30 C ANISOU 809 CG ARG A 452 7412 8852 10066 -534 -429 -1501 C ATOM 810 CD ARG A 452 -12.704 6.253 15.166 1.00 72.05 C ANISOU 810 CD ARG A 452 7542 9129 10703 -695 -281 -1491 C ATOM 811 NE ARG A 452 -13.734 6.565 14.180 1.00 72.64 N ANISOU 811 NE ARG A 452 7721 9258 10621 -883 -81 -1196 N ATOM 812 CZ ARG A 452 -13.664 7.564 13.306 1.00 76.11 C ANISOU 812 CZ ARG A 452 8064 9626 11226 -1051 95 -1099 C ATOM 813 NH1 ARG A 452 -14.656 7.763 12.450 1.00 76.45 N ANISOU 813 NH1 ARG A 452 8244 9721 11083 -1180 215 -826 N ATOM 814 NH2 ARG A 452 -12.603 8.360 13.281 1.00 80.29 N ANISOU 814 NH2 ARG A 452 8368 10021 12117 -1092 143 -1276 N ATOM 815 H ARG A 452 -10.938 3.424 15.134 1.00 84.10 H ATOM 816 HA ARG A 452 -10.288 5.605 16.391 1.00 82.69 H ATOM 817 HB2 ARG A 452 -12.203 3.756 17.321 1.00 80.79 H ATOM 818 HB3 ARG A 452 -12.169 5.305 17.656 1.00 80.79 H ATOM 819 HG2 ARG A 452 -12.852 4.218 15.149 1.00 83.03 H ATOM 820 HG3 ARG A 452 -13.866 4.906 16.162 1.00 83.03 H ATOM 821 HD2 ARG A 452 -12.711 6.947 15.843 1.00 86.33 H ATOM 822 HD3 ARG A 452 -11.846 6.233 14.713 1.00 86.33 H ATOM 823 HE ARG A 452 -14.435 6.068 14.163 1.00 87.04 H ATOM 824 HH11 ARG A 452 -15.345 7.248 12.463 1.00 91.62 H ATOM 825 HH12 ARG A 452 -14.612 8.408 11.883 1.00 91.62 H ATOM 826 HH21 ARG A 452 -11.956 8.237 13.833 1.00 96.22 H ATOM 827 HH22 ARG A 452 -12.564 9.004 12.712 1.00 96.22 H ATOM 828 N LYS A 453 -9.475 2.938 17.946 1.00 70.60 N ANISOU 828 N LYS A 453 7361 8833 10630 158 -1176 -2360 N ATOM 829 CA LYS A 453 -8.614 2.436 19.012 1.00 77.54 C ANISOU 829 CA LYS A 453 8247 9647 11568 469 -1554 -2626 C ATOM 830 C LYS A 453 -7.224 3.051 18.923 1.00 80.11 C ANISOU 830 C LYS A 453 8110 9902 12425 498 -1663 -2966 C ATOM 831 O LYS A 453 -6.727 3.639 19.890 1.00 82.18 O ANISOU 831 O LYS A 453 8268 10110 12846 662 -1984 -3204 O ATOM 832 CB LYS A 453 -8.529 0.911 18.941 1.00 81.06 C ANISOU 832 CB LYS A 453 8926 10079 11796 607 -1601 -2581 C ATOM 833 CG LYS A 453 -9.865 0.199 19.075 1.00 81.48 C ANISOU 833 CG LYS A 453 9424 10174 11361 557 -1494 -2264 C ATOM 834 CD LYS A 453 -9.696 -1.308 18.967 1.00 85.24 C ANISOU 834 CD LYS A 453 10135 10586 11666 678 -1539 -2235 C ATOM 835 CE LYS A 453 -11.021 -2.035 19.123 1.00 86.79 C ANISOU 835 CE LYS A 453 10758 10798 11419 593 -1419 -1930 C ATOM 836 NZ LYS A 453 -10.868 -3.510 18.986 1.00 89.44 N ANISOU 836 NZ LYS A 453 11352 11027 11604 690 -1453 -1899 N ATOM 837 H LYS A 453 -9.829 2.327 17.455 1.00 84.59 H ATOM 838 HA LYS A 453 -8.997 2.678 19.870 1.00 92.92 H ATOM 839 HB2 LYS A 453 -8.146 0.661 18.086 1.00 97.15 H ATOM 840 HB3 LYS A 453 -7.956 0.599 19.659 1.00 97.15 H ATOM 841 HG2 LYS A 453 -10.251 0.401 19.941 1.00 97.65 H ATOM 842 HG3 LYS A 453 -10.458 0.491 18.365 1.00 97.65 H ATOM 843 HD2 LYS A 453 -9.330 -1.525 18.096 1.00102.16 H ATOM 844 HD3 LYS A 453 -9.098 -1.613 19.667 1.00102.16 H ATOM 845 HE2 LYS A 453 -11.385 -1.849 20.003 1.00104.02 H ATOM 846 HE3 LYS A 453 -11.635 -1.730 18.437 1.00104.02 H ATOM 847 HZ1 LYS A 453 -10.540 -3.708 18.183 1.00107.20 H ATOM 848 HZ2 LYS A 453 -10.312 -3.817 19.610 1.00107.20 H ATOM 849 HZ3 LYS A 453 -11.658 -3.908 19.082 1.00107.20 H ATOM 850 N HIS A 454 -6.581 2.927 17.760 1.00 65.49 N ANISOU 850 N HIS A 454 5974 8049 10862 332 -1388 -3007 N ATOM 851 CA HIS A 454 -5.229 3.450 17.598 1.00 74.51 C ANISOU 851 CA HIS A 454 6621 9122 12566 327 -1427 -3338 C ATOM 852 C HIS A 454 -5.202 4.967 17.741 1.00 70.85 C ANISOU 852 C HIS A 454 5938 8603 12377 158 -1397 -3401 C ATOM 853 O HIS A 454 -4.284 5.524 18.354 1.00 74.87 O ANISOU 853 O HIS A 454 6132 9032 13282 249 -1657 -3725 O ATOM 854 CB HIS A 454 -4.664 3.038 16.238 1.00 84.99 C ANISOU 854 CB HIS A 454 7724 10462 14105 150 -1033 -3337 C ATOM 855 CG HIS A 454 -4.486 1.559 16.076 1.00 94.50 C ANISOU 855 CG HIS A 454 9093 11683 15130 337 -1075 -3348 C ATOM 856 ND1 HIS A 454 -3.548 0.840 16.785 1.00 98.10 N ANISOU 856 ND1 HIS A 454 9420 12082 15772 662 -1431 -3639 N ATOM 857 CD2 HIS A 454 -5.120 0.668 15.278 1.00 93.48 C ANISOU 857 CD2 HIS A 454 9255 11598 14665 252 -826 -3117 C ATOM 858 CE1 HIS A 454 -3.617 -0.432 16.436 1.00 99.17 C ANISOU 858 CE1 HIS A 454 9774 12212 15694 775 -1380 -3574 C ATOM 859 NE2 HIS A 454 -4.562 -0.564 15.522 1.00 99.77 N ANISOU 859 NE2 HIS A 454 10106 12347 15454 518 -1010 -3266 N ATOM 860 H HIS A 454 -6.904 2.548 17.059 1.00 78.47 H ATOM 861 HA HIS A 454 -4.659 3.073 18.287 1.00 89.28 H ATOM 862 HB2 HIS A 454 -5.269 3.341 15.544 1.00101.86 H ATOM 863 HB3 HIS A 454 -3.798 3.456 16.124 1.00101.86 H ATOM 864 HD1 HIS A 454 -3.006 1.167 17.367 1.00117.60 H ATOM 865 HD2 HIS A 454 -5.807 0.854 14.679 1.00112.05 H ATOM 866 HE1 HIS A 454 -3.088 -1.118 16.774 1.00118.88 H ATOM 867 N THR A 455 -6.197 5.653 17.180 1.00 80.63 N ANISOU 867 N THR A 455 7338 9866 13433 -83 -1108 -3107 N ATOM 868 CA THR A 455 -6.203 7.110 17.157 1.00 74.41 C ANISOU 868 CA THR A 455 6369 8987 12917 -264 -1029 -3135 C ATOM 869 C THR A 455 -6.960 7.731 18.322 1.00 68.46 C ANISOU 869 C THR A 455 5846 8215 11951 -125 -1312 -3126 C ATOM 870 O THR A 455 -6.763 8.918 18.603 1.00 63.93 O ANISOU 870 O THR A 455 5106 7528 11658 -202 -1363 -3253 O ATOM 871 CB THR A 455 -6.823 7.619 15.850 1.00 67.83 C ANISOU 871 CB THR A 455 5590 8158 12023 -582 -566 -2821 C ATOM 872 OG1 THR A 455 -8.205 7.241 15.793 1.00 65.08 O ANISOU 872 OG1 THR A 455 5648 7914 11163 -572 -522 -2493 O ATOM 873 CG2 THR A 455 -6.092 7.046 14.644 1.00 66.48 C ANISOU 873 CG2 THR A 455 5238 8005 12017 -728 -232 -2830 C ATOM 874 H THR A 455 -6.882 5.294 16.805 1.00 96.63 H ATOM 875 HA THR A 455 -5.288 7.428 17.194 1.00 89.17 H ATOM 876 HB THR A 455 -6.753 8.586 15.817 1.00 81.27 H ATOM 877 HG1 THR A 455 -8.275 6.404 15.821 1.00 77.96 H ATOM 878 HG21 THR A 455 -6.443 7.436 13.828 1.00 79.65 H ATOM 879 HG22 THR A 455 -5.145 7.245 14.706 1.00 79.65 H ATOM 880 HG23 THR A 455 -6.210 6.084 14.609 1.00 79.65 H ATOM 881 N GLY A 456 -7.814 6.971 19.003 1.00 75.71 N ANISOU 881 N GLY A 456 7151 9226 12390 67 -1468 -2987 N ATOM 882 CA GLY A 456 -8.675 7.566 20.006 1.00 81.08 C ANISOU 882 CA GLY A 456 8084 9903 12820 179 -1637 -2943 C ATOM 883 C GLY A 456 -9.543 8.682 19.473 1.00 83.91 C ANISOU 883 C GLY A 456 8454 10233 13196 -42 -1369 -2728 C ATOM 884 O GLY A 456 -10.012 9.520 20.249 1.00 79.02 O ANISOU 884 O GLY A 456 7931 9563 12529 33 -1493 -2775 O ATOM 885 H GLY A 456 -7.909 6.122 18.903 1.00 90.73 H ATOM 886 HA2 GLY A 456 -9.254 6.882 20.376 1.00 97.17 H ATOM 887 HA3 GLY A 456 -8.129 7.923 20.724 1.00 97.17 H ATOM 888 N HIS A 457 -9.769 8.717 18.163 1.00 87.35 N ANISOU 888 N HIS A 457 8818 10688 13681 -293 -1015 -2498 N ATOM 889 CA HIS A 457 -10.544 9.788 17.553 1.00 89.24 C ANISOU 889 CA HIS A 457 9079 10878 13950 -487 -782 -2278 C ATOM 890 C HIS A 457 -11.997 9.718 18.006 1.00 80.84 C ANISOU 890 C HIS A 457 8331 9912 12471 -397 -796 -2048 C ATOM 891 O HIS A 457 -12.552 8.635 18.211 1.00 79.00 O ANISOU 891 O HIS A 457 8314 9812 11893 -306 -822 -1934 O ATOM 892 CB HIS A 457 -10.459 9.688 16.030 1.00 93.31 C ANISOU 892 CB HIS A 457 9520 11402 14532 -748 -422 -2071 C ATOM 893 CG HIS A 457 -11.011 10.879 15.310 1.00 98.61 C ANISOU 893 CG HIS A 457 10200 11973 15293 -944 -203 -1862 C ATOM 894 ND1 HIS A 457 -11.398 10.833 13.988 1.00 99.08 N ANISOU 894 ND1 HIS A 457 10347 12060 15240 -1146 96 -1581 N ATOM 895 CD2 HIS A 457 -11.229 12.151 15.721 1.00100.72 C ANISOU 895 CD2 HIS A 457 10433 12093 15744 -953 -257 -1895 C ATOM 896 CE1 HIS A 457 -11.839 12.022 13.618 1.00100.15 C ANISOU 896 CE1 HIS A 457 10510 12065 15477 -1261 207 -1429 C ATOM 897 NE2 HIS A 457 -11.747 12.840 14.650 1.00101.66 N ANISOU 897 NE2 HIS A 457 10619 12141 15866 -1149 6 -1616 N ATOM 898 H HIS A 457 -9.483 8.129 17.604 1.00104.69 H ATOM 899 HA HIS A 457 -10.179 10.644 17.826 1.00106.96 H ATOM 900 HB2 HIS A 457 -9.528 9.594 15.775 1.00111.85 H ATOM 901 HB3 HIS A 457 -10.959 8.909 15.740 1.00111.85 H ATOM 902 HD2 HIS A 457 -11.064 12.493 16.570 1.00120.74 H ATOM 903 HE1 HIS A 457 -12.158 12.245 12.773 1.00120.05 H ATOM 904 HE2 HIS A 457 -11.974 13.670 14.652 1.00121.87 H ATOM 905 N ARG A 458 -12.611 10.890 18.171 1.00 76.08 N ANISOU 905 N ARG A 458 7744 9228 11936 -426 -765 -1989 N ATOM 906 CA ARG A 458 -14.011 10.984 18.581 1.00 70.42 C ANISOU 906 CA ARG A 458 7262 8598 10898 -339 -745 -1793 C ATOM 907 C ARG A 458 -14.625 12.193 17.892 1.00 69.28 C ANISOU 907 C ARG A 458 7068 8353 10904 -478 -575 -1616 C ATOM 908 O ARG A 458 -14.686 13.290 18.463 1.00 70.78 O ANISOU 908 O ARG A 458 7228 8404 11263 -411 -654 -1735 O ATOM 909 CB ARG A 458 -14.146 11.088 20.099 1.00 71.94 C ANISOU 909 CB ARG A 458 7597 8787 10951 -80 -994 -2001 C ATOM 910 CG ARG A 458 -13.698 9.833 20.827 1.00 74.82 C ANISOU 910 CG ARG A 458 8101 9240 11086 92 -1183 -2124 C ATOM 911 CD ARG A 458 -13.828 9.972 22.330 1.00 81.21 C ANISOU 911 CD ARG A 458 9123 10037 11697 360 -1430 -2320 C ATOM 912 NE ARG A 458 -13.725 8.679 22.999 1.00 86.08 N ANISOU 912 NE ARG A 458 9987 10739 11979 534 -1571 -2337 N ATOM 913 CZ ARG A 458 -13.753 8.510 24.316 1.00 92.61 C ANISOU 913 CZ ARG A 458 11087 11564 12537 791 -1796 -2488 C ATOM 914 NH1 ARG A 458 -13.877 9.554 25.124 1.00 96.93 N ANISOU 914 NH1 ARG A 458 11682 12040 13109 908 -1910 -2667 N ATOM 915 NH2 ARG A 458 -13.654 7.290 24.828 1.00 94.20 N ANISOU 915 NH2 ARG A 458 11554 11816 12423 940 -1908 -2461 N ATOM 916 H ARG A 458 -12.233 11.653 18.054 1.00 91.17 H ATOM 917 HA ARG A 458 -14.484 10.187 18.298 1.00 84.38 H ATOM 918 HB2 ARG A 458 -13.601 11.826 20.413 1.00 86.21 H ATOM 919 HB3 ARG A 458 -15.077 11.246 20.322 1.00 86.21 H ATOM 920 HG2 ARG A 458 -14.248 9.086 20.543 1.00 89.65 H ATOM 921 HG3 ARG A 458 -12.766 9.660 20.621 1.00 89.65 H ATOM 922 HD2 ARG A 458 -13.117 10.543 22.661 1.00 97.33 H ATOM 923 HD3 ARG A 458 -14.693 10.356 22.542 1.00 97.33 H ATOM 924 HE ARG A 458 -13.640 7.979 22.507 1.00103.17 H ATOM 925 HH11 ARG A 458 -13.942 10.348 24.800 1.00116.20 H ATOM 926 HH12 ARG A 458 -13.894 9.437 25.976 1.00116.20 H ATOM 927 HH21 ARG A 458 -13.572 6.610 24.307 1.00112.92 H ATOM 928 HH22 ARG A 458 -13.670 7.179 25.681 1.00112.92 H ATOM 929 N PRO A 459 -15.097 12.029 16.651 1.00 63.70 N ANISOU 929 N PRO A 459 6379 7695 10128 -657 -359 -1334 N ATOM 930 CA PRO A 459 -15.561 13.189 15.878 1.00 62.46 C ANISOU 930 CA PRO A 459 6201 7410 10120 -780 -218 -1150 C ATOM 931 C PRO A 459 -16.935 13.691 16.293 1.00 64.62 C ANISOU 931 C PRO A 459 6590 7720 10243 -653 -251 -1009 C ATOM 932 O PRO A 459 -17.216 14.890 16.200 1.00 66.02 O ANISOU 932 O PRO A 459 6747 7733 10606 -650 -231 -969 O ATOM 933 CB PRO A 459 -15.574 12.658 14.440 1.00 60.70 C ANISOU 933 CB PRO A 459 6013 7251 9798 -984 -13 -908 C ATOM 934 CG PRO A 459 -15.850 11.204 14.593 1.00 58.80 C ANISOU 934 CG PRO A 459 5871 7222 9249 -927 -59 -889 C ATOM 935 CD PRO A 459 -15.179 10.780 15.873 1.00 59.11 C ANISOU 935 CD PRO A 459 5869 7267 9323 -747 -254 -1183 C ATOM 936 HA PRO A 459 -14.921 13.915 15.945 1.00 74.82 H ATOM 937 HB2 PRO A 459 -16.278 13.093 13.934 1.00 72.71 H ATOM 938 HB3 PRO A 459 -14.709 12.804 14.026 1.00 72.71 H ATOM 939 HG2 PRO A 459 -16.807 11.061 14.647 1.00 70.44 H ATOM 940 HG3 PRO A 459 -15.476 10.723 13.838 1.00 70.44 H ATOM 941 HD2 PRO A 459 -15.724 10.127 16.339 1.00 70.81 H ATOM 942 HD3 PRO A 459 -14.290 10.437 15.691 1.00 70.81 H ATOM 943 N PHE A 460 -17.801 12.790 16.747 1.00 61.10 N ANISOU 943 N PHE A 460 6257 7473 9484 -547 -286 -937 N ATOM 944 CA PHE A 460 -19.166 13.155 17.110 1.00 62.42 C ANISOU 944 CA PHE A 460 6486 7704 9528 -431 -276 -809 C ATOM 945 C PHE A 460 -19.152 13.810 18.484 1.00 66.69 C ANISOU 945 C PHE A 460 7053 8163 10121 -217 -389 -1053 C ATOM 946 O PHE A 460 -18.950 13.135 19.499 1.00 66.81 O ANISOU 946 O PHE A 460 7166 8261 9959 -87 -478 -1218 O ATOM 947 CB PHE A 460 -20.064 11.923 17.096 1.00 63.16 C ANISOU 947 CB PHE A 460 6667 8026 9305 -433 -233 -658 C ATOM 948 CG PHE A 460 -20.008 11.154 15.809 1.00 68.75 C ANISOU 948 CG PHE A 460 7384 8811 9927 -634 -156 -468 C ATOM 949 CD1 PHE A 460 -20.788 11.529 14.729 1.00 69.54 C ANISOU 949 CD1 PHE A 460 7469 8925 10028 -735 -100 -224 C ATOM 950 CD2 PHE A 460 -19.174 10.058 15.680 1.00 68.86 C ANISOU 950 CD2 PHE A 460 7443 8874 9848 -698 -159 -548 C ATOM 951 CE1 PHE A 460 -20.739 10.823 13.545 1.00 70.43 C ANISOU 951 CE1 PHE A 460 7636 9108 10016 -910 -46 -69 C ATOM 952 CE2 PHE A 460 -19.119 9.348 14.498 1.00 68.91 C ANISOU 952 CE2 PHE A 460 7484 8942 9756 -872 -76 -400 C ATOM 953 CZ PHE A 460 -19.903 9.731 13.428 1.00 69.63 C ANISOU 953 CZ PHE A 460 7586 9055 9815 -985 -18 -164 C ATOM 954 H PHE A 460 -17.621 11.956 16.855 1.00 73.19 H ATOM 955 HA PHE A 460 -19.512 13.795 16.468 1.00 74.78 H ATOM 956 HB2 PHE A 460 -19.790 11.327 17.811 1.00 75.67 H ATOM 957 HB3 PHE A 460 -20.982 12.203 17.235 1.00 75.67 H ATOM 958 HD1 PHE A 460 -21.353 12.264 14.803 1.00 83.32 H ATOM 959 HD2 PHE A 460 -18.644 9.796 16.398 1.00 82.51 H ATOM 960 HE1 PHE A 460 -21.268 11.084 12.826 1.00 84.39 H ATOM 961 HE2 PHE A 460 -18.555 8.612 14.422 1.00 82.57 H ATOM 962 HZ PHE A 460 -19.868 9.254 12.630 1.00 83.43 H ATOM 963 N GLN A 461 -19.372 15.121 18.521 1.00 72.26 N ANISOU 963 N GLN A 461 7713 8693 11051 -169 -391 -1076 N ATOM 964 CA GLN A 461 -19.328 15.887 19.759 1.00 75.90 C ANISOU 964 CA GLN A 461 8216 9042 11580 33 -500 -1336 C ATOM 965 C GLN A 461 -20.712 16.426 20.087 1.00 74.08 C ANISOU 965 C GLN A 461 8023 8848 11278 191 -422 -1235 C ATOM 966 O GLN A 461 -21.404 16.958 19.212 1.00 77.67 O ANISOU 966 O GLN A 461 8409 9259 11843 137 -342 -1009 O ATOM 967 CB GLN A 461 -18.327 17.039 19.661 1.00 77.13 C ANISOU 967 CB GLN A 461 8280 8911 12116 -31 -575 -1516 C ATOM 968 CG GLN A 461 -18.295 17.905 20.909 1.00 79.06 C ANISOU 968 CG GLN A 461 8587 9012 12440 177 -715 -1815 C ATOM 969 CD GLN A 461 -16.946 18.547 21.150 1.00 82.46 C ANISOU 969 CD GLN A 461 8919 9205 13207 107 -872 -2114 C ATOM 970 OE1 GLN A 461 -16.021 18.398 20.352 1.00 81.61 O ANISOU 970 OE1 GLN A 461 8663 9034 13311 -108 -837 -2090 O ATOM 971 NE2 GLN A 461 -16.824 19.261 22.264 1.00 86.67 N ANISOU 971 NE2 GLN A 461 9527 9603 13801 286 -1039 -2421 N ATOM 972 H GLN A 461 -19.552 15.597 17.828 1.00 86.59 H ATOM 973 HA GLN A 461 -19.051 15.312 20.485 1.00 90.95 H ATOM 974 HB2 GLN A 461 -17.440 16.670 19.526 1.00 92.43 H ATOM 975 HB3 GLN A 461 -18.569 17.604 18.911 1.00 92.43 H ATOM 976 HG2 GLN A 461 -18.951 18.613 20.818 1.00 94.75 H ATOM 977 HG3 GLN A 461 -18.506 17.355 21.680 1.00 94.75 H ATOM 978 HE21 GLN A 461 -17.491 19.337 22.801 1.00103.88 H ATOM 979 HE22 GLN A 461 -16.078 19.647 22.448 1.00103.88 H ATOM 980 N CYS A 462 -21.106 16.287 21.351 1.00 66.72 N ANISOU 980 N CYS A 462 7206 7990 10155 401 -446 -1409 N ATOM 981 CA CYS A 462 -22.387 16.803 21.813 1.00 65.70 C ANISOU 981 CA CYS A 462 7089 7898 9975 579 -336 -1367 C ATOM 982 C CYS A 462 -22.340 18.324 21.866 1.00 67.37 C ANISOU 982 C CYS A 462 7263 7837 10499 672 -387 -1484 C ATOM 983 O CYS A 462 -21.499 18.904 22.560 1.00 69.12 O ANISOU 983 O CYS A 462 7553 7881 10829 738 -523 -1770 O ATOM 984 CB CYS A 462 -22.718 16.229 23.188 1.00 65.38 C ANISOU 984 CB CYS A 462 7230 7997 9614 772 -301 -1536 C ATOM 985 SG CYS A 462 -24.178 16.954 23.963 1.00 62.27 S ANISOU 985 SG CYS A 462 6845 7635 9179 1023 -113 -1567 S ATOM 986 H CYS A 462 -20.645 15.895 21.962 1.00 79.94 H ATOM 987 HA CYS A 462 -23.085 16.539 21.193 1.00 78.71 H ATOM 988 HB2 CYS A 462 -22.875 15.276 23.098 1.00 78.33 H ATOM 989 HB3 CYS A 462 -21.964 16.382 23.778 1.00 78.33 H ATOM 990 N GLN A 463 -23.243 18.972 21.129 1.00 64.15 N ANISOU 990 N GLN A 463 6749 7377 10246 683 -305 -1272 N ATOM 991 CA GLN A 463 -23.314 20.427 21.137 1.00 69.94 C ANISOU 991 CA GLN A 463 7472 7818 11284 790 -345 -1353 C ATOM 992 C GLN A 463 -23.854 20.981 22.449 1.00 69.77 C ANISOU 992 C GLN A 463 7538 7762 11211 1079 -321 -1616 C ATOM 993 O GLN A 463 -23.803 22.198 22.653 1.00 70.07 O ANISOU 993 O GLN A 463 7602 7524 11499 1194 -374 -1757 O ATOM 994 CB GLN A 463 -24.180 20.911 19.972 1.00 73.47 C ANISOU 994 CB GLN A 463 7813 8216 11887 762 -295 -1035 C ATOM 995 CG GLN A 463 -23.723 20.404 18.609 1.00 73.54 C ANISOU 995 CG GLN A 463 7792 8255 11894 488 -301 -765 C ATOM 996 CD GLN A 463 -22.332 20.880 18.241 1.00 75.09 C ANISOU 996 CD GLN A 463 8035 8197 12300 301 -349 -851 C ATOM 997 OE1 GLN A 463 -22.083 22.081 18.132 1.00 74.64 O ANISOU 997 OE1 GLN A 463 8008 7824 12526 321 -377 -895 O ATOM 998 NE2 GLN A 463 -21.415 19.938 18.049 1.00 75.11 N ANISOU 998 NE2 GLN A 463 8029 8318 12191 116 -346 -884 N ATOM 999 H GLN A 463 -23.822 18.592 20.620 1.00 76.85 H ATOM 1000 HA GLN A 463 -22.421 20.783 21.012 1.00 83.80 H ATOM 1001 HB2 GLN A 463 -25.090 20.605 20.112 1.00 88.04 H ATOM 1002 HB3 GLN A 463 -24.159 21.881 19.949 1.00 88.04 H ATOM 1003 HG2 GLN A 463 -23.718 19.434 18.615 1.00 88.12 H ATOM 1004 HG3 GLN A 463 -24.333 20.728 17.930 1.00 88.12 H ATOM 1005 HE21 GLN A 463 -21.626 19.109 18.136 1.00 90.01 H ATOM 1006 HE22 GLN A 463 -20.611 20.158 17.838 1.00 90.01 H ATOM 1007 N LYS A 464 -24.368 20.126 23.334 1.00 73.60 N ANISOU 1007 N LYS A 464 8095 8500 11370 1196 -223 -1686 N ATOM 1008 CA LYS A 464 -24.829 20.536 24.655 1.00 78.28 C ANISOU 1008 CA LYS A 464 8824 9083 11835 1472 -158 -1952 C ATOM 1009 C LYS A 464 -23.884 20.086 25.762 1.00 76.86 C ANISOU 1009 C LYS A 464 8882 8919 11401 1524 -283 -2249 C ATOM 1010 O LYS A 464 -24.236 20.181 26.943 1.00 74.46 O ANISOU 1010 O LYS A 464 8767 8653 10869 1752 -217 -2468 O ATOM 1011 CB LYS A 464 -26.235 19.990 24.918 1.00 82.82 C ANISOU 1011 CB LYS A 464 9330 9918 12221 1589 98 -1815 C ATOM 1012 CG LYS A 464 -27.305 20.540 23.987 1.00 88.43 C ANISOU 1012 CG LYS A 464 9785 10612 13203 1614 176 -1575 C ATOM 1013 CD LYS A 464 -28.646 19.864 24.229 1.00 95.45 C ANISOU 1013 CD LYS A 464 10535 11784 13950 1691 427 -1459 C ATOM 1014 CE LYS A 464 -29.692 20.323 23.226 1.00102.98 C ANISOU 1014 CE LYS A 464 11192 12739 15196 1720 437 -1224 C ATOM 1015 NZ LYS A 464 -30.974 19.572 23.361 1.00106.13 N ANISOU 1015 NZ LYS A 464 11377 13428 15520 1747 668 -1115 N ATOM 1016 H LYS A 464 -24.462 19.284 23.187 1.00 88.20 H ATOM 1017 HA LYS A 464 -24.879 21.504 24.685 1.00 93.81 H ATOM 1018 HB2 LYS A 464 -26.219 19.026 24.811 1.00 99.26 H ATOM 1019 HB3 LYS A 464 -26.491 20.214 25.826 1.00 99.26 H ATOM 1020 HG2 LYS A 464 -27.410 21.491 24.145 1.00105.99 H ATOM 1021 HG3 LYS A 464 -27.044 20.379 23.067 1.00105.99 H ATOM 1022 HD2 LYS A 464 -28.541 18.904 24.140 1.00114.42 H ATOM 1023 HD3 LYS A 464 -28.960 20.087 25.119 1.00114.42 H ATOM 1024 HE2 LYS A 464 -29.877 21.264 23.370 1.00123.45 H ATOM 1025 HE3 LYS A 464 -29.354 20.183 22.328 1.00123.45 H ATOM 1026 HZ1 LYS A 464 -31.562 19.865 22.761 1.00127.23 H ATOM 1027 HZ2 LYS A 464 -30.833 18.703 23.228 1.00127.23 H ATOM 1028 HZ3 LYS A 464 -31.310 19.689 24.177 1.00127.23 H ATOM 1029 N CYS A 465 -22.698 19.595 25.412 1.00 86.12 N ANISOU 1029 N CYS A 465 10057 10065 12599 1334 -465 -2269 N ATOM 1030 CA CYS A 465 -21.716 19.156 26.392 1.00 88.65 C ANISOU 1030 CA CYS A 465 10582 10391 12712 1397 -658 -2556 C ATOM 1031 C CYS A 465 -20.326 19.335 25.798 1.00 89.25 C ANISOU 1031 C CYS A 465 10535 10292 13085 1198 -891 -2644 C ATOM 1032 O CYS A 465 -20.167 19.782 24.658 1.00 89.49 O ANISOU 1032 O CYS A 465 10364 10199 13438 1004 -851 -2466 O ATOM 1033 CB CYS A 465 -21.945 17.696 26.799 1.00 88.43 C ANISOU 1033 CB CYS A 465 10700 10646 12252 1405 -572 -2447 C ATOM 1034 SG CYS A 465 -23.404 17.414 27.815 1.00 96.24 S ANISOU 1034 SG CYS A 465 11878 11829 12857 1637 -262 -2420 S ATOM 1035 H CYS A 465 -22.435 19.505 24.598 1.00103.22 H ATOM 1036 HA CYS A 465 -21.783 19.709 27.186 1.00106.26 H ATOM 1037 HB2 CYS A 465 -22.041 17.163 25.995 1.00105.99 H ATOM 1038 HB3 CYS A 465 -21.176 17.389 27.303 1.00105.99 H ATOM 1039 N ASP A 466 -19.314 18.989 26.591 1.00 84.21 N ANISOU 1039 N ASP A 466 10023 9637 12335 1254 -1133 -2928 N ATOM 1040 CA ASP A 466 -17.958 18.849 26.082 1.00 85.26 C ANISOU 1040 CA ASP A 466 9995 9667 12734 1063 -1340 -3022 C ATOM 1041 C ASP A 466 -17.676 17.444 25.573 1.00 77.97 C ANISOU 1041 C ASP A 466 9034 8967 11625 938 -1307 -2820 C ATOM 1042 O ASP A 466 -16.688 17.244 24.858 1.00 77.56 O ANISOU 1042 O ASP A 466 8789 8858 11824 749 -1389 -2825 O ATOM 1043 CB ASP A 466 -16.942 19.200 27.174 1.00 92.98 C ANISOU 1043 CB ASP A 466 11083 10503 13743 1200 -1683 -3468 C ATOM 1044 CG ASP A 466 -17.075 20.630 27.658 1.00101.97 C ANISOU 1044 CG ASP A 466 12265 11373 15107 1305 -1749 -3719 C ATOM 1045 OD1 ASP A 466 -16.453 21.526 27.050 1.00106.06 O ANISOU 1045 OD1 ASP A 466 12571 11629 16097 1127 -1807 -3789 O ATOM 1046 OD2 ASP A 466 -17.798 20.859 28.651 1.00105.22 O ANISOU 1046 OD2 ASP A 466 12936 11819 15224 1561 -1721 -3851 O ATOM 1047 H ASP A 466 -19.390 18.829 27.433 1.00100.92 H ATOM 1048 HA ASP A 466 -17.831 19.466 25.345 1.00102.19 H ATOM 1049 HB2 ASP A 466 -17.078 18.612 27.933 1.00111.45 H ATOM 1050 HB3 ASP A 466 -16.046 19.085 26.821 1.00111.45 H ATOM 1051 N ARG A 467 -18.523 16.478 25.917 1.00 68.26 N ANISOU 1051 N ARG A 467 7980 7972 9983 1034 -1164 -2651 N ATOM 1052 CA ARG A 467 -18.281 15.092 25.553 1.00 70.00 C ANISOU 1052 CA ARG A 467 8218 8376 10004 937 -1146 -2483 C ATOM 1053 C ARG A 467 -18.348 14.897 24.043 1.00 64.94 C ANISOU 1053 C ARG A 467 7329 7760 9584 668 -982 -2187 C ATOM 1054 O ARG A 467 -19.087 15.584 23.332 1.00 63.26 O ANISOU 1054 O ARG A 467 6999 7505 9531 588 -815 -2003 O ATOM 1055 CB ARG A 467 -19.301 14.177 26.230 1.00 75.32 C ANISOU 1055 CB ARG A 467 9149 9258 10212 1068 -979 -2345 C ATOM 1056 CG ARG A 467 -19.213 14.156 27.746 1.00 82.60 C ANISOU 1056 CG ARG A 467 10409 10175 10799 1344 -1117 -2611 C ATOM 1057 CD ARG A 467 -19.983 12.980 28.329 1.00 84.81 C ANISOU 1057 CD ARG A 467 10975 10649 10599 1423 -931 -2442 C ATOM 1058 NE ARG A 467 -19.416 11.699 27.914 1.00 84.31 N ANISOU 1058 NE ARG A 467 10937 10662 10437 1313 -1009 -2310 N ATOM 1059 CZ ARG A 467 -19.908 10.512 28.255 1.00 84.56 C ANISOU 1059 CZ ARG A 467 11216 10823 10092 1330 -868 -2136 C ATOM 1060 NH1 ARG A 467 -19.320 9.403 27.826 1.00 82.44 N ANISOU 1060 NH1 ARG A 467 10966 10582 9775 1239 -963 -2037 N ATOM 1061 NH2 ARG A 467 -20.987 10.429 29.022 1.00 85.67 N ANISOU 1061 NH2 ARG A 467 11586 11048 9917 1435 -608 -2063 N ATOM 1062 H ARG A 467 -19.248 16.601 26.363 1.00 81.78 H ATOM 1063 HA ARG A 467 -17.396 14.833 25.853 1.00 83.88 H ATOM 1064 HB2 ARG A 467 -20.192 14.476 25.991 1.00 90.26 H ATOM 1065 HB3 ARG A 467 -19.163 13.272 25.911 1.00 90.26 H ATOM 1066 HG2 ARG A 467 -18.284 14.074 28.012 1.00 98.99 H ATOM 1067 HG3 ARG A 467 -19.593 14.975 28.101 1.00 98.99 H ATOM 1068 HD2 ARG A 467 -19.951 13.026 29.297 1.00101.65 H ATOM 1069 HD3 ARG A 467 -20.903 13.018 28.023 1.00101.65 H ATOM 1070 HE ARG A 467 -18.709 11.714 27.425 1.00101.05 H ATOM 1071 HH11 ARG A 467 -18.620 9.452 27.328 1.00 98.80 H ATOM 1072 HH12 ARG A 467 -19.638 8.635 28.046 1.00 98.80 H ATOM 1073 HH21 ARG A 467 -21.374 11.143 29.304 1.00102.68 H ATOM 1074 HH22 ARG A 467 -21.300 9.658 29.239 1.00102.68 H ATOM 1075 N ALA A 468 -17.558 13.940 23.559 1.00 68.42 N ANISOU 1075 N ALA A 468 7715 8264 10018 549 -1045 -2150 N ATOM 1076 CA ALA A 468 -17.597 13.518 22.169 1.00 62.10 C ANISOU 1076 CA ALA A 468 6749 7517 9329 307 -882 -1879 C ATOM 1077 C ALA A 468 -17.520 12.000 22.124 1.00 61.29 C ANISOU 1077 C ALA A 468 6757 7589 8943 290 -873 -1780 C ATOM 1078 O ALA A 468 -17.109 11.350 23.088 1.00 61.92 O ANISOU 1078 O ALA A 468 7010 7701 8814 452 -1035 -1944 O ATOM 1079 CB ALA A 468 -16.461 14.142 21.348 1.00 60.13 C ANISOU 1079 CB ALA A 468 6265 7089 9493 130 -926 -1967 C ATOM 1080 H ALA A 468 -16.979 13.513 24.031 1.00 81.98 H ATOM 1081 HA ALA A 468 -18.443 13.783 21.782 1.00 74.40 H ATOM 1082 HB1 ALA A 468 -16.528 13.833 20.431 1.00 72.03 H ATOM 1083 HB2 ALA A 468 -16.544 15.108 21.379 1.00 72.03 H ATOM 1084 HB3 ALA A 468 -15.611 13.870 21.728 1.00 72.03 H ATOM 1085 N PHE A 469 -17.922 11.436 20.988 1.00 54.44 N ANISOU 1085 N PHE A 469 5818 6813 8054 101 -700 -1512 N ATOM 1086 CA PHE A 469 -18.068 9.995 20.866 1.00 57.08 C ANISOU 1086 CA PHE A 469 6276 7295 8118 67 -659 -1389 C ATOM 1087 C PHE A 469 -17.459 9.520 19.556 1.00 57.38 C ANISOU 1087 C PHE A 469 6177 7333 8293 -143 -595 -1287 C ATOM 1088 O PHE A 469 -17.269 10.291 18.612 1.00 54.48 O ANISOU 1088 O PHE A 469 5644 6885 8169 -289 -513 -1222 O ATOM 1089 CB PHE A 469 -19.541 9.582 20.955 1.00 56.01 C ANISOU 1089 CB PHE A 469 6249 7305 7726 61 -481 -1158 C ATOM 1090 CG PHE A 469 -20.199 9.988 22.239 1.00 59.00 C ANISOU 1090 CG PHE A 469 6777 7697 7943 269 -470 -1255 C ATOM 1091 CD1 PHE A 469 -20.223 9.127 23.323 1.00 58.72 C ANISOU 1091 CD1 PHE A 469 7013 7716 7582 414 -502 -1322 C ATOM 1092 CD2 PHE A 469 -20.780 11.237 22.368 1.00 60.03 C ANISOU 1092 CD2 PHE A 469 6812 7767 8231 333 -417 -1280 C ATOM 1093 CE1 PHE A 469 -20.824 9.502 24.508 1.00 61.11 C ANISOU 1093 CE1 PHE A 469 7498 8032 7691 608 -452 -1413 C ATOM 1094 CE2 PHE A 469 -21.381 11.617 23.551 1.00 62.43 C ANISOU 1094 CE2 PHE A 469 7264 8082 8374 539 -376 -1393 C ATOM 1095 CZ PHE A 469 -21.403 10.749 24.622 1.00 63.33 C ANISOU 1095 CZ PHE A 469 7658 8269 8136 671 -379 -1461 C ATOM 1096 H PHE A 469 -18.116 11.870 20.272 1.00 65.20 H ATOM 1097 HA PHE A 469 -17.591 9.562 21.591 1.00 68.37 H ATOM 1098 HB2 PHE A 469 -20.028 9.998 20.227 1.00 67.08 H ATOM 1099 HB3 PHE A 469 -19.601 8.617 20.882 1.00 67.08 H ATOM 1100 HD1 PHE A 469 -19.834 8.285 23.251 1.00 70.34 H ATOM 1101 HD2 PHE A 469 -20.768 11.826 21.648 1.00 71.91 H ATOM 1102 HE1 PHE A 469 -20.837 8.915 25.229 1.00 73.21 H ATOM 1103 HE2 PHE A 469 -21.771 12.458 23.625 1.00 74.79 H ATOM 1104 HZ PHE A 469 -21.808 11.003 25.420 1.00 75.87 H ATOM 1105 N SER A 470 -17.150 8.224 19.519 1.00 64.53 N ANISOU 1105 N SER A 470 7186 8312 9019 -148 -620 -1273 N ATOM 1106 CA SER A 470 -16.552 7.610 18.342 1.00 64.35 C ANISOU 1106 CA SER A 470 7070 8296 9083 -320 -544 -1207 C ATOM 1107 C SER A 470 -17.578 7.263 17.273 1.00 57.75 C ANISOU 1107 C SER A 470 6263 7562 8117 -505 -358 -917 C ATOM 1108 O SER A 470 -17.201 7.084 16.110 1.00 58.15 O ANISOU 1108 O SER A 470 6244 7606 8245 -669 -262 -844 O ATOM 1109 CB SER A 470 -15.793 6.346 18.749 1.00 67.44 C ANISOU 1109 CB SER A 470 7575 8699 9351 -219 -667 -1331 C ATOM 1110 OG SER A 470 -16.593 5.525 19.584 1.00 67.98 O ANISOU 1110 OG SER A 470 7909 8840 9081 -110 -688 -1248 O ATOM 1111 H SER A 470 -17.279 7.677 20.170 1.00 77.31 H ATOM 1112 HA SER A 470 -15.915 8.230 17.954 1.00 77.09 H ATOM 1113 HB2 SER A 470 -15.556 5.849 17.950 1.00 80.81 H ATOM 1114 HB3 SER A 470 -14.991 6.601 19.231 1.00 80.81 H ATOM 1115 HG SER A 470 -16.167 4.834 19.801 1.00 81.45 H ATOM 1116 N ARG A 471 -18.856 7.170 17.633 1.00 52.17 N ANISOU 1116 N ARG A 471 5652 6949 7221 -483 -304 -767 N ATOM 1117 CA ARG A 471 -19.891 6.736 16.709 1.00 46.11 C ANISOU 1117 CA ARG A 471 4893 6287 6339 -649 -183 -521 C ATOM 1118 C ARG A 471 -21.105 7.642 16.847 1.00 46.85 C ANISOU 1118 C ARG A 471 4909 6422 6470 -622 -133 -401 C ATOM 1119 O ARG A 471 -21.333 8.257 17.890 1.00 46.54 O ANISOU 1119 O ARG A 471 4878 6356 6450 -457 -154 -501 O ATOM 1120 CB ARG A 471 -20.284 5.276 16.962 1.00 44.65 C ANISOU 1120 CB ARG A 471 4883 6186 5897 -675 -162 -463 C ATOM 1121 CG ARG A 471 -19.195 4.278 16.609 1.00 44.43 C ANISOU 1121 CG ARG A 471 4933 6109 5838 -701 -208 -557 C ATOM 1122 CD ARG A 471 -19.340 2.979 17.386 1.00 44.70 C ANISOU 1122 CD ARG A 471 5201 6151 5633 -631 -237 -565 C ATOM 1123 NE ARG A 471 -20.711 2.475 17.384 1.00 44.68 N ANISOU 1123 NE ARG A 471 5273 6238 5463 -747 -120 -371 N ATOM 1124 CZ ARG A 471 -21.068 1.277 17.833 1.00 45.18 C ANISOU 1124 CZ ARG A 471 5551 6293 5321 -765 -85 -317 C ATOM 1125 NH1 ARG A 471 -20.156 0.444 18.317 1.00 46.44 N ANISOU 1125 NH1 ARG A 471 5907 6351 5385 -642 -182 -429 N ATOM 1126 NH2 ARG A 471 -22.340 0.907 17.794 1.00 45.56 N ANISOU 1126 NH2 ARG A 471 5612 6419 5282 -905 44 -152 N ATOM 1127 H ARG A 471 -19.150 7.356 18.419 1.00 62.48 H ATOM 1128 HA ARG A 471 -19.563 6.808 15.799 1.00 55.20 H ATOM 1129 HB2 ARG A 471 -20.494 5.166 17.903 1.00 53.46 H ATOM 1130 HB3 ARG A 471 -21.063 5.066 16.424 1.00 53.46 H ATOM 1131 HG2 ARG A 471 -19.247 4.072 15.663 1.00 53.19 H ATOM 1132 HG3 ARG A 471 -18.329 4.661 16.820 1.00 53.19 H ATOM 1133 HD2 ARG A 471 -18.771 2.305 16.983 1.00 53.52 H ATOM 1134 HD3 ARG A 471 -19.076 3.130 18.307 1.00 53.52 H ATOM 1135 HE ARG A 471 -21.302 2.929 16.954 1.00 53.48 H ATOM 1136 HH11 ARG A 471 -19.329 0.676 18.347 1.00 55.60 H ATOM 1137 HH12 ARG A 471 -20.394 -0.331 18.605 1.00 55.60 H ATOM 1138 HH21 ARG A 471 -22.934 1.443 17.479 1.00 54.55 H ATOM 1139 HH22 ARG A 471 -22.571 0.130 18.082 1.00 54.55 H ATOM 1140 N SER A 472 -21.890 7.712 15.769 1.00 47.25 N ANISOU 1140 N SER A 472 4892 6535 6526 -767 -80 -197 N ATOM 1141 CA SER A 472 -23.082 8.553 15.776 1.00 50.61 C ANISOU 1141 CA SER A 472 5206 6999 7025 -724 -58 -79 C ATOM 1142 C SER A 472 -24.150 7.992 16.706 1.00 47.60 C ANISOU 1142 C SER A 472 4840 6739 6508 -659 12 -62 C ATOM 1143 O SER A 472 -24.831 8.749 17.406 1.00 48.64 O ANISOU 1143 O SER A 472 4895 6876 6710 -520 55 -89 O ATOM 1144 CB SER A 472 -23.635 8.692 14.357 1.00 56.12 C ANISOU 1144 CB SER A 472 5844 7733 7746 -878 -74 130 C ATOM 1145 OG SER A 472 -24.351 7.530 13.971 1.00 58.09 O ANISOU 1145 OG SER A 472 6126 8122 7825 -1007 -66 233 O ATOM 1146 H SER A 472 -21.755 7.288 15.033 1.00 56.58 H ATOM 1147 HA SER A 472 -22.843 9.438 16.093 1.00 60.60 H ATOM 1148 HB2 SER A 472 -24.233 9.455 14.325 1.00 67.22 H ATOM 1149 HB3 SER A 472 -22.896 8.825 13.743 1.00 67.22 H ATOM 1150 HG SER A 472 -24.648 7.622 13.191 1.00 69.59 H ATOM 1151 N ASP A 473 -24.315 6.667 16.725 1.00 46.13 N ANISOU 1151 N ASP A 473 4760 6635 6134 -764 52 -21 N ATOM 1152 CA ASP A 473 -25.336 6.067 17.577 1.00 47.07 C ANISOU 1152 CA ASP A 473 4905 6850 6129 -745 173 15 C ATOM 1153 C ASP A 473 -25.023 6.275 19.052 1.00 47.82 C ANISOU 1153 C ASP A 473 5144 6897 6129 -535 221 -144 C ATOM 1154 O ASP A 473 -25.943 6.377 19.870 1.00 51.93 O ANISOU 1154 O ASP A 473 5652 7480 6597 -460 367 -133 O ATOM 1155 CB ASP A 473 -25.480 4.577 17.260 1.00 46.77 C ANISOU 1155 CB ASP A 473 4989 6859 5923 -924 207 92 C ATOM 1156 CG ASP A 473 -24.203 3.799 17.505 1.00 47.46 C ANISOU 1156 CG ASP A 473 5307 6848 5878 -890 144 -22 C ATOM 1157 OD1 ASP A 473 -23.125 4.424 17.575 1.00 48.36 O ANISOU 1157 OD1 ASP A 473 5424 6875 6077 -774 46 -155 O ATOM 1158 OD2 ASP A 473 -24.278 2.557 17.621 1.00 48.43 O ANISOU 1158 OD2 ASP A 473 5594 6966 5839 -978 185 13 O ATOM 1159 H ASP A 473 -23.857 6.106 16.262 1.00 55.24 H ATOM 1160 HA ASP A 473 -26.187 6.493 17.392 1.00 56.35 H ATOM 1161 HB2 ASP A 473 -26.174 4.200 17.823 1.00 56.00 H ATOM 1162 HB3 ASP A 473 -25.719 4.474 16.326 1.00 56.00 H ATOM 1163 N HIS A 474 -23.740 6.342 19.413 1.00 49.83 N ANISOU 1163 N HIS A 474 5533 7042 6358 -431 100 -306 N ATOM 1164 CA HIS A 474 -23.375 6.675 20.786 1.00 50.64 C ANISOU 1164 CA HIS A 474 5793 7087 6359 -206 78 -486 C ATOM 1165 C HIS A 474 -23.856 8.073 21.150 1.00 53.04 C ANISOU 1165 C HIS A 474 5961 7369 6823 -71 109 -551 C ATOM 1166 O HIS A 474 -24.418 8.290 22.230 1.00 54.86 O ANISOU 1166 O HIS A 474 6289 7625 6930 81 216 -617 O ATOM 1167 CB HIS A 474 -21.861 6.563 20.969 1.00 49.53 C ANISOU 1167 CB HIS A 474 5758 6830 6232 -121 -123 -675 C ATOM 1168 CG HIS A 474 -21.357 5.154 21.002 1.00 50.80 C ANISOU 1168 CG HIS A 474 6116 6985 6200 -160 -163 -659 C ATOM 1169 ND1 HIS A 474 -20.014 4.846 20.990 1.00 53.19 N ANISOU 1169 ND1 HIS A 474 6467 7194 6548 -91 -351 -819 N ATOM 1170 CD2 HIS A 474 -22.015 3.972 21.052 1.00 52.21 C ANISOU 1170 CD2 HIS A 474 6450 7220 6169 -256 -42 -510 C ATOM 1171 CE1 HIS A 474 -19.866 3.534 21.027 1.00 54.37 C ANISOU 1171 CE1 HIS A 474 6812 7338 6509 -116 -355 -766 C ATOM 1172 NE2 HIS A 474 -21.064 2.980 21.066 1.00 52.28 N ANISOU 1172 NE2 HIS A 474 6633 7151 6079 -228 -166 -573 N ATOM 1173 H HIS A 474 -23.073 6.201 18.889 1.00 59.67 H ATOM 1174 HA HIS A 474 -23.801 6.046 21.389 1.00 60.64 H ATOM 1175 HB2 HIS A 474 -21.423 7.017 20.232 1.00 59.31 H ATOM 1176 HB3 HIS A 474 -21.616 6.985 21.807 1.00 59.31 H ATOM 1177 HD2 HIS A 474 -22.937 3.854 21.072 1.00 62.53 H ATOM 1178 HE1 HIS A 474 -19.056 3.078 21.027 1.00 65.12 H ATOM 1179 HE2 HIS A 474 -21.223 2.135 21.095 1.00 62.61 H ATOM 1180 N LEU A 475 -23.644 9.039 20.253 1.00 53.09 N ANISOU 1180 N LEU A 475 5770 7308 7093 -120 33 -532 N ATOM 1181 CA LEU A 475 -24.079 10.406 20.518 1.00 56.58 C ANISOU 1181 CA LEU A 475 6095 7685 7719 15 47 -590 C ATOM 1182 C LEU A 475 -25.598 10.512 20.518 1.00 58.01 C ANISOU 1182 C LEU A 475 6140 7990 7911 25 214 -446 C ATOM 1183 O LEU A 475 -26.176 11.232 21.341 1.00 62.24 O ANISOU 1183 O LEU A 475 6657 8516 8475 205 303 -538 O ATOM 1184 CB LEU A 475 -23.478 11.355 19.481 1.00 53.85 C ANISOU 1184 CB LEU A 475 5608 7201 7650 -60 -60 -567 C ATOM 1185 CG LEU A 475 -23.915 12.819 19.568 1.00 53.28 C ANISOU 1185 CG LEU A 475 5427 7010 7809 68 -63 -601 C ATOM 1186 CD1 LEU A 475 -23.544 13.417 20.917 1.00 54.61 C ANISOU 1186 CD1 LEU A 475 5707 7080 7961 285 -100 -872 C ATOM 1187 CD2 LEU A 475 -23.298 13.624 18.438 1.00 51.19 C ANISOU 1187 CD2 LEU A 475 5077 6582 7791 -46 -140 -529 C ATOM 1188 H LEU A 475 -23.255 8.928 19.494 1.00 63.58 H ATOM 1189 HA LEU A 475 -23.759 10.674 21.393 1.00 67.77 H ATOM 1190 HB2 LEU A 475 -22.513 11.336 19.575 1.00 64.49 H ATOM 1191 HB3 LEU A 475 -23.721 11.034 18.598 1.00 64.49 H ATOM 1192 HG LEU A 475 -24.879 12.870 19.474 1.00 63.82 H ATOM 1193 HD11 LEU A 475 -23.773 14.359 20.917 1.00 65.40 H ATOM 1194 HD12 LEU A 475 -24.038 12.958 21.614 1.00 65.40 H ATOM 1195 HD13 LEU A 475 -22.591 13.308 21.059 1.00 65.40 H ATOM 1196 HD21 LEU A 475 -23.614 14.539 18.494 1.00 61.30 H ATOM 1197 HD22 LEU A 475 -22.332 13.601 18.525 1.00 61.30 H ATOM 1198 HD23 LEU A 475 -23.564 13.234 17.591 1.00 61.30 H ATOM 1199 N ALA A 476 -26.264 9.806 19.601 1.00 50.69 N ANISOU 1199 N ALA A 476 5102 7179 6979 -160 254 -243 N ATOM 1200 CA ALA A 476 -27.718 9.887 19.518 1.00 52.15 C ANISOU 1200 CA ALA A 476 5086 7489 7239 -165 384 -122 C ATOM 1201 C ALA A 476 -28.369 9.465 20.829 1.00 53.80 C ANISOU 1201 C ALA A 476 5377 7783 7283 -64 611 -196 C ATOM 1202 O ALA A 476 -29.382 10.043 21.241 1.00 55.84 O ANISOU 1202 O ALA A 476 5469 8095 7651 50 757 -207 O ATOM 1203 CB ALA A 476 -28.225 9.023 18.365 1.00 51.51 C ANISOU 1203 CB ALA A 476 4896 7515 7159 -402 346 72 C ATOM 1204 H ALA A 476 -25.901 9.281 19.025 1.00 60.71 H ATOM 1205 HA ALA A 476 -27.973 10.806 19.339 1.00 62.45 H ATOM 1206 HB1 ALA A 476 -29.192 9.088 18.324 1.00 61.68 H ATOM 1207 HB2 ALA A 476 -27.836 9.343 17.536 1.00 61.68 H ATOM 1208 HB3 ALA A 476 -27.961 8.103 18.521 1.00 61.68 H ATOM 1209 N LEU A 477 -27.805 8.459 21.500 1.00 55.50 N ANISOU 1209 N LEU A 477 5861 7999 7228 -94 657 -245 N ATOM 1210 CA LEU A 477 -28.358 8.019 22.775 1.00 61.24 C ANISOU 1210 CA LEU A 477 6750 8783 7735 -2 902 -294 C ATOM 1211 C LEU A 477 -28.016 8.993 23.895 1.00 58.15 C ANISOU 1211 C LEU A 477 6508 8307 7278 275 912 -509 C ATOM 1212 O LEU A 477 -28.839 9.232 24.785 1.00 65.88 O ANISOU 1212 O LEU A 477 7506 9342 8182 401 1157 -558 O ATOM 1213 CB LEU A 477 -27.851 6.618 23.114 1.00 66.41 C ANISOU 1213 CB LEU A 477 7708 9429 8095 -107 925 -255 C ATOM 1214 CG LEU A 477 -28.222 5.508 22.126 1.00 69.77 C ANISOU 1214 CG LEU A 477 8039 9917 8553 -389 934 -68 C ATOM 1215 CD1 LEU A 477 -27.679 4.174 22.610 1.00 70.77 C ANISOU 1215 CD1 LEU A 477 8518 9986 8387 -450 962 -47 C ATOM 1216 CD2 LEU A 477 -29.729 5.424 21.914 1.00 70.00 C ANISOU 1216 CD2 LEU A 477 7779 10082 8736 -517 1155 56 C ATOM 1217 H LEU A 477 -27.111 8.022 21.241 1.00 66.48 H ATOM 1218 HA LEU A 477 -29.324 7.981 22.703 1.00 73.36 H ATOM 1219 HB2 LEU A 477 -26.883 6.648 23.163 1.00 79.56 H ATOM 1220 HB3 LEU A 477 -28.209 6.366 23.979 1.00 79.56 H ATOM 1221 HG LEU A 477 -27.813 5.702 21.269 1.00 83.60 H ATOM 1222 HD11 LEU A 477 -27.921 3.485 21.972 1.00 84.80 H ATOM 1223 HD12 LEU A 477 -26.714 4.234 22.683 1.00 84.80 H ATOM 1224 HD13 LEU A 477 -28.065 3.972 23.477 1.00 84.80 H ATOM 1225 HD21 LEU A 477 -29.930 4.630 21.394 1.00 83.87 H ATOM 1226 HD22 LEU A 477 -30.166 5.374 22.778 1.00 83.87 H ATOM 1227 HD23 LEU A 477 -30.026 6.215 21.438 1.00 83.87 H ATOM 1228 N HIS A 478 -26.811 9.566 23.870 1.00 55.70 N ANISOU 1228 N HIS A 478 6299 7857 7007 369 659 -658 N ATOM 1229 CA HIS A 478 -26.458 10.573 24.865 1.00 57.34 C ANISOU 1229 CA HIS A 478 6637 7961 7186 624 617 -895 C ATOM 1230 C HIS A 478 -27.360 11.795 24.752 1.00 58.80 C ANISOU 1230 C HIS A 478 6572 8136 7633 732 719 -914 C ATOM 1231 O HIS A 478 -27.810 12.340 25.766 1.00 61.25 O ANISOU 1231 O HIS A 478 6975 8440 7857 940 869 -1062 O ATOM 1232 CB HIS A 478 -24.995 10.979 24.706 1.00 56.16 C ANISOU 1232 CB HIS A 478 6565 7652 7122 658 304 -1061 C ATOM 1233 CG HIS A 478 -24.596 12.137 25.568 1.00 58.01 C ANISOU 1233 CG HIS A 478 6893 7750 7400 892 204 -1330 C ATOM 1234 ND1 HIS A 478 -24.308 12.002 26.909 1.00 60.04 N ANISOU 1234 ND1 HIS A 478 7480 7988 7346 1095 186 -1533 N ATOM 1235 CD2 HIS A 478 -24.443 13.451 25.281 1.00 58.79 C ANISOU 1235 CD2 HIS A 478 6830 7702 7805 954 107 -1436 C ATOM 1236 CE1 HIS A 478 -23.991 13.182 27.410 1.00 63.55 C ANISOU 1236 CE1 HIS A 478 7947 8291 7909 1271 68 -1778 C ATOM 1237 NE2 HIS A 478 -24.065 14.079 26.442 1.00 68.35 N ANISOU 1237 NE2 HIS A 478 8251 8808 8909 1183 27 -1722 N ATOM 1238 H HIS A 478 -26.193 9.392 23.298 1.00 66.71 H ATOM 1239 HA HIS A 478 -26.571 10.196 25.752 1.00 68.68 H ATOM 1240 HB2 HIS A 478 -24.433 10.225 24.943 1.00 67.27 H ATOM 1241 HB3 HIS A 478 -24.838 11.229 23.782 1.00 67.27 H ATOM 1242 HD1 HIS A 478 -24.329 11.264 27.350 1.00 71.93 H ATOM 1243 HD2 HIS A 478 -24.568 13.853 24.452 1.00 70.42 H ATOM 1244 HE1 HIS A 478 -23.756 13.353 28.293 1.00 76.14 H ATOM 1245 N MET A 479 -27.633 12.242 23.523 1.00 57.70 N ANISOU 1245 N MET A 479 6140 7983 7799 615 635 -769 N ATOM 1246 CA MET A 479 -28.481 13.414 23.328 1.00 59.36 C ANISOU 1246 CA MET A 479 6112 8157 8286 744 688 -771 C ATOM 1247 C MET A 479 -29.854 13.213 23.953 1.00 61.83 C ANISOU 1247 C MET A 479 6307 8628 8555 825 996 -745 C ATOM 1248 O MET A 479 -30.401 14.132 24.575 1.00 64.27 O ANISOU 1248 O MET A 479 6561 8897 8963 1049 1116 -880 O ATOM 1249 CB MET A 479 -28.614 13.721 21.837 1.00 58.12 C ANISOU 1249 CB MET A 479 5710 7971 8402 596 532 -571 C ATOM 1250 CG MET A 479 -27.544 14.651 21.296 1.00 64.19 C ANISOU 1250 CG MET A 479 6525 8514 9349 601 307 -630 C ATOM 1251 SD MET A 479 -27.700 16.327 21.941 1.00 72.35 S ANISOU 1251 SD MET A 479 7542 9331 10615 886 295 -832 S ATOM 1252 CE MET A 479 -26.467 17.180 20.960 1.00 73.98 C ANISOU 1252 CE MET A 479 7777 9263 11068 772 56 -815 C ATOM 1253 H MET A 479 -27.342 11.887 22.796 1.00 69.11 H ATOM 1254 HA MET A 479 -28.057 14.177 23.751 1.00 71.11 H ATOM 1255 HB2 MET A 479 -28.561 12.889 21.341 1.00 69.62 H ATOM 1256 HB3 MET A 479 -29.475 14.140 21.681 1.00 69.62 H ATOM 1257 HG2 MET A 479 -26.671 14.311 21.549 1.00 76.90 H ATOM 1258 HG3 MET A 479 -27.619 14.692 20.330 1.00 76.90 H ATOM 1259 HE1 MET A 479 -26.451 18.115 21.217 1.00 88.65 H ATOM 1260 HE2 MET A 479 -25.600 16.777 21.123 1.00 88.65 H ATOM 1261 HE3 MET A 479 -26.699 17.098 20.022 1.00 88.65 H ATOM 1262 N LYS A 480 -30.432 12.019 23.798 1.00 74.61 N ANISOU 1262 N LYS A 480 7878 10418 10053 639 1149 -587 N ATOM 1263 CA LYS A 480 -31.717 11.731 24.422 1.00 77.65 C ANISOU 1263 CA LYS A 480 8129 10956 10421 674 1495 -566 C ATOM 1264 C LYS A 480 -31.676 11.935 25.929 1.00 80.13 C ANISOU 1264 C LYS A 480 8734 11246 10466 896 1730 -770 C ATOM 1265 O LYS A 480 -32.726 12.145 26.545 1.00 79.85 O ANISOU 1265 O LYS A 480 8572 11300 10467 1005 2055 -813 O ATOM 1266 CB LYS A 480 -32.149 10.298 24.102 1.00 77.10 C ANISOU 1266 CB LYS A 480 8024 11029 10240 396 1620 -380 C ATOM 1267 CG LYS A 480 -32.539 10.080 22.650 1.00 75.37 C ANISOU 1267 CG LYS A 480 7483 10869 10287 187 1430 -194 C ATOM 1268 CD LYS A 480 -32.838 8.617 22.360 1.00 81.01 C ANISOU 1268 CD LYS A 480 8210 11689 10883 -102 1522 -46 C ATOM 1269 CE LYS A 480 -33.178 8.402 20.893 1.00 82.74 C ANISOU 1269 CE LYS A 480 8148 11960 11328 -303 1286 109 C ATOM 1270 NZ LYS A 480 -33.282 6.959 20.541 1.00 81.13 N ANISOU 1270 NZ LYS A 480 8008 11816 11001 -598 1324 223 N ATOM 1271 H LYS A 480 -30.102 11.369 23.342 1.00 89.41 H ATOM 1272 HA LYS A 480 -32.385 12.333 24.058 1.00 93.06 H ATOM 1273 HB2 LYS A 480 -31.414 9.698 24.304 1.00 92.39 H ATOM 1274 HB3 LYS A 480 -32.916 10.074 24.651 1.00 92.39 H ATOM 1275 HG2 LYS A 480 -33.335 10.597 22.452 1.00 90.32 H ATOM 1276 HG3 LYS A 480 -31.807 10.359 22.078 1.00 90.32 H ATOM 1277 HD2 LYS A 480 -32.058 8.082 22.573 1.00 97.09 H ATOM 1278 HD3 LYS A 480 -33.597 8.333 22.893 1.00 97.09 H ATOM 1279 HE2 LYS A 480 -34.031 8.821 20.700 1.00 99.16 H ATOM 1280 HE3 LYS A 480 -32.482 8.796 20.345 1.00 99.16 H ATOM 1281 HZ1 LYS A 480 -33.481 6.870 19.678 1.00 97.23 H ATOM 1282 HZ2 LYS A 480 -32.508 6.550 20.703 1.00 97.23 H ATOM 1283 HZ3 LYS A 480 -33.920 6.573 21.027 1.00 97.23 H ATOM 1284 N ARG A 481 -30.488 11.884 26.535 1.00 71.22 N ANISOU 1284 N ARG A 481 7992 10000 9068 976 1571 -910 N ATOM 1285 CA ARG A 481 -30.376 12.104 27.972 1.00 82.05 C ANISOU 1285 CA ARG A 481 9710 11338 10127 1210 1738 -1122 C ATOM 1286 C ARG A 481 -30.588 13.568 28.332 1.00 86.94 C ANISOU 1286 C ARG A 481 10243 11853 10938 1478 1735 -1337 C ATOM 1287 O ARG A 481 -31.100 13.869 29.417 1.00 91.27 O ANISOU 1287 O ARG A 481 10947 12425 11307 1683 2010 -1493 O ATOM 1288 CB ARG A 481 -29.010 11.627 28.463 1.00 86.98 C ANISOU 1288 CB ARG A 481 10759 11859 10428 1236 1484 -1227 C ATOM 1289 CG ARG A 481 -28.877 11.568 29.973 1.00 94.96 C ANISOU 1289 CG ARG A 481 12225 12851 11005 1463 1629 -1418 C ATOM 1290 CD ARG A 481 -28.131 10.316 30.406 1.00 97.10 C ANISOU 1290 CD ARG A 481 12902 13118 10875 1397 1541 -1358 C ATOM 1291 NE ARG A 481 -28.877 9.104 30.081 1.00100.90 N ANISOU 1291 NE ARG A 481 13324 13723 11289 1157 1817 -1083 N ATOM 1292 CZ ARG A 481 -28.444 7.869 30.312 1.00104.85 C ANISOU 1292 CZ ARG A 481 14149 14210 11480 1060 1797 -967 C ATOM 1293 NH1 ARG A 481 -27.259 7.667 30.873 1.00106.50 N ANISOU 1293 NH1 ARG A 481 14752 14304 11410 1210 1489 -1103 N ATOM 1294 NH2 ARG A 481 -29.198 6.831 29.979 1.00107.92 N ANISOU 1294 NH2 ARG A 481 14462 14683 11859 818 2065 -725 N ATOM 1295 H ARG A 481 -29.741 11.725 26.140 1.00 85.34 H ATOM 1296 HA ARG A 481 -31.057 11.582 28.425 1.00 98.33 H ATOM 1297 HB2 ARG A 481 -28.846 10.738 28.113 1.00104.24 H ATOM 1298 HB3 ARG A 481 -28.332 12.238 28.135 1.00104.24 H ATOM 1299 HG2 ARG A 481 -28.381 12.342 30.283 1.00113.83 H ATOM 1300 HG3 ARG A 481 -29.760 11.551 30.374 1.00113.83 H ATOM 1301 HD2 ARG A 481 -27.277 10.279 29.948 1.00116.40 H ATOM 1302 HD3 ARG A 481 -27.996 10.341 31.366 1.00116.40 H ATOM 1303 HE ARG A 481 -29.650 9.195 29.715 1.00120.95 H ATOM 1304 HH11 ARG A 481 -26.764 8.335 31.092 1.00127.68 H ATOM 1305 HH12 ARG A 481 -26.985 6.865 31.019 1.00127.68 H ATOM 1306 HH21 ARG A 481 -29.967 6.957 29.615 1.00129.37 H ATOM 1307 HH22 ARG A 481 -28.919 6.031 30.128 1.00129.37 H ATOM 1308 N HIS A 482 -30.203 14.488 27.445 1.00 74.38 N ANISOU 1308 N HIS A 482 8436 10127 9697 1484 1449 -1349 N ATOM 1309 CA HIS A 482 -30.445 15.905 27.690 1.00 79.09 C ANISOU 1309 CA HIS A 482 8944 10582 10525 1732 1435 -1539 C ATOM 1310 C HIS A 482 -31.908 16.274 27.475 1.00 82.34 C ANISOU 1310 C HIS A 482 8984 11101 11200 1810 1708 -1458 C ATOM 1311 O HIS A 482 -32.393 17.237 28.080 1.00 82.08 O ANISOU 1311 O HIS A 482 8926 10996 11267 2073 1844 -1648 O ATOM 1312 CB HIS A 482 -29.555 16.759 26.783 1.00 85.88 C ANISOU 1312 CB HIS A 482 9718 11226 11686 1692 1062 -1551 C ATOM 1313 CG HIS A 482 -28.087 16.545 26.993 1.00 93.88 C ANISOU 1313 CG HIS A 482 11017 12120 12535 1631 786 -1679 C ATOM 1314 ND1 HIS A 482 -27.551 16.195 28.213 1.00 96.00 N ANISOU 1314 ND1 HIS A 482 11655 12390 12432 1755 790 -1892 N ATOM 1315 CD2 HIS A 482 -27.042 16.633 26.136 1.00 93.87 C ANISOU 1315 CD2 HIS A 482 10975 11992 12701 1468 496 -1634 C ATOM 1316 CE1 HIS A 482 -26.240 16.076 28.099 1.00 96.55 C ANISOU 1316 CE1 HIS A 482 11860 12344 12481 1682 476 -1985 C ATOM 1317 NE2 HIS A 482 -25.905 16.335 26.848 1.00 97.76 N ANISOU 1317 NE2 HIS A 482 11752 12420 12973 1497 321 -1835 N ATOM 1318 H HIS A 482 -29.804 14.317 26.702 1.00 89.13 H ATOM 1319 HA HIS A 482 -30.217 16.109 28.611 1.00 94.78 H ATOM 1320 HB2 HIS A 482 -29.756 16.545 25.858 1.00102.93 H ATOM 1321 HB3 HIS A 482 -29.745 17.695 26.952 1.00102.93 H ATOM 1322 HD1 HIS A 482 -28.000 16.073 28.936 1.00115.08 H ATOM 1323 HD2 HIS A 482 -27.086 16.852 25.233 1.00112.52 H ATOM 1324 HE1 HIS A 482 -25.653 15.847 28.783 1.00115.73 H ATOM 1325 N PHE A 483 -32.618 15.526 26.633 1.00107.78 N ANISOU 1325 N PHE A 483 11907 14489 14556 1598 1777 -1204 N ATOM 1326 CA PHE A 483 -34.020 15.803 26.320 1.00103.10 C ANISOU 1326 CA PHE A 483 10885 14014 14276 1656 1985 -1128 C ATOM 1327 C PHE A 483 -34.250 17.286 26.044 1.00101.08 C ANISOU 1327 C PHE A 483 10446 13580 14379 1913 1846 -1236 C ATOM 1328 O PHE A 483 -33.404 17.956 25.452 1.00 97.38 O ANISOU 1328 O PHE A 483 10066 12907 14027 1917 1514 -1236 O ATOM 1329 CB PHE A 483 -34.933 15.341 27.461 1.00113.83 C ANISOU 1329 CB PHE A 483 12264 15537 15450 1735 2473 -1214 C ATOM 1330 CG PHE A 483 -35.143 13.852 27.509 1.00115.96 C ANISOU 1330 CG PHE A 483 12585 15985 15488 1449 2669 -1038 C ATOM 1331 CD1 PHE A 483 -35.829 13.203 26.494 1.00115.45 C ANISOU 1331 CD1 PHE A 483 12135 16054 15676 1202 2639 -816 C ATOM 1332 CD2 PHE A 483 -34.669 13.104 28.575 1.00117.53 C ANISOU 1332 CD2 PHE A 483 13244 16198 15213 1433 2866 -1098 C ATOM 1333 CE1 PHE A 483 -36.028 11.835 26.536 1.00115.27 C ANISOU 1333 CE1 PHE A 483 12169 16160 15468 922 2821 -665 C ATOM 1334 CE2 PHE A 483 -34.867 11.735 28.623 1.00117.01 C ANISOU 1334 CE2 PHE A 483 13263 16253 14943 1168 3056 -920 C ATOM 1335 CZ PHE A 483 -35.547 11.101 27.602 1.00116.29 C ANISOU 1335 CZ PHE A 483 12769 16279 15138 902 3044 -708 C ATOM 1336 H PHE A 483 -32.304 14.839 26.222 1.00129.21 H ATOM 1337 HA PHE A 483 -34.266 15.311 25.521 1.00123.60 H ATOM 1338 HB2 PHE A 483 -34.540 15.612 28.305 1.00136.47 H ATOM 1339 HB3 PHE A 483 -35.802 15.759 27.354 1.00136.47 H ATOM 1340 HD1 PHE A 483 -36.154 13.693 25.773 1.00138.41 H ATOM 1341 HD2 PHE A 483 -34.210 13.526 29.265 1.00140.91 H ATOM 1342 HE1 PHE A 483 -36.487 11.410 25.848 1.00138.20 H ATOM 1343 HE2 PHE A 483 -34.542 11.243 29.342 1.00140.29 H ATOM 1344 HZ PHE A 483 -35.681 10.181 27.632 1.00139.43 H TER 1345 PHE A 483 ATOM 1346 O5' DG B 1 -19.242 4.835 25.535 1.00 60.65 O ANISOU 1346 O5' DG B 1 10337 6693 6014 574 -158 -896 O ATOM 1347 C5' DG B 1 -18.093 4.645 26.348 1.00 57.54 C ANISOU 1347 C5' DG B 1 10057 6247 5559 449 -370 -1012 C ATOM 1348 C4' DG B 1 -17.438 3.306 26.061 1.00 54.38 C ANISOU 1348 C4' DG B 1 9406 5965 5291 402 -597 -1043 C ATOM 1349 O4' DG B 1 -18.408 2.242 26.261 1.00 52.95 O ANISOU 1349 O4' DG B 1 9160 5832 5125 502 -554 -926 O ATOM 1350 C3' DG B 1 -16.919 3.134 24.639 1.00 52.52 C ANISOU 1350 C3' DG B 1 8868 5846 5241 357 -653 -1086 C ATOM 1351 O3' DG B 1 -15.714 2.377 24.638 1.00 52.25 O ANISOU 1351 O3' DG B 1 8696 5874 5281 273 -898 -1181 O ATOM 1352 C2' DG B 1 -18.064 2.419 23.932 1.00 51.83 C ANISOU 1352 C2' DG B 1 8602 5847 5242 466 -536 -962 C ATOM 1353 C1' DG B 1 -18.672 1.571 25.042 1.00 51.53 C ANISOU 1353 C1' DG B 1 8685 5778 5114 525 -552 -887 C ATOM 1354 N9 DG B 1 -20.118 1.378 24.927 1.00 51.25 N ANISOU 1354 N9 DG B 1 8623 5783 5066 632 -357 -740 N ATOM 1355 C8 DG B 1 -21.067 2.339 24.670 1.00 51.47 C ANISOU 1355 C8 DG B 1 8699 5804 5052 720 -124 -658 C ATOM 1356 N7 DG B 1 -22.283 1.870 24.634 1.00 51.38 N ANISOU 1356 N7 DG B 1 8613 5867 5041 806 6 -521 N ATOM 1357 C5 DG B 1 -22.134 0.515 24.891 1.00 51.04 C ANISOU 1357 C5 DG B 1 8492 5865 5037 755 -147 -517 C ATOM 1358 C6 DG B 1 -23.107 -0.507 24.979 1.00 50.98 C ANISOU 1358 C6 DG B 1 8394 5937 5039 778 -105 -397 C ATOM 1359 O6 DG B 1 -24.334 -0.412 24.844 1.00 51.24 O ANISOU 1359 O6 DG B 1 8366 6048 5053 849 79 -264 O ATOM 1360 N1 DG B 1 -22.531 -1.744 25.255 1.00 50.80 N ANISOU 1360 N1 DG B 1 8352 5902 5046 707 -303 -439 N ATOM 1361 C2 DG B 1 -21.185 -1.963 25.426 1.00 50.74 C ANISOU 1361 C2 DG B 1 8382 5834 5065 646 -517 -572 C ATOM 1362 N2 DG B 1 -20.817 -3.224 25.687 1.00 50.78 N ANISOU 1362 N2 DG B 1 8369 5830 5095 612 -685 -583 N ATOM 1363 N3 DG B 1 -20.263 -1.014 25.346 1.00 50.85 N ANISOU 1363 N3 DG B 1 8446 5801 5075 618 -563 -681 N ATOM 1364 C4 DG B 1 -20.808 0.196 25.075 1.00 50.97 C ANISOU 1364 C4 DG B 1 8504 5807 5053 664 -370 -649 C ATOM 1365 H5' DG B 1 -18.355 4.678 27.281 1.00 68.93 H ATOM 1366 H5'' DG B 1 -17.457 5.355 26.171 1.00 68.93 H ATOM 1367 H4' DG B 1 -16.702 3.179 26.680 1.00 65.13 H ATOM 1368 H3' DG B 1 -16.768 4.002 24.233 1.00 62.90 H ATOM 1369 H2' DG B 1 -18.709 3.059 23.594 1.00 62.07 H ATOM 1370 H2'' DG B 1 -17.728 1.857 23.217 1.00 62.07 H ATOM 1371 H1' DG B 1 -18.236 0.705 25.055 1.00 61.71 H ATOM 1372 H8 DG B 1 -20.861 3.235 24.528 1.00 61.63 H ATOM 1373 H1 DG B 1 -23.057 -2.421 25.326 1.00 60.83 H ATOM 1374 H21 DG B 1 -19.986 -3.415 25.797 1.00 60.81 H ATOM 1375 H22 DG B 1 -21.412 -3.842 25.745 1.00 60.81 H ATOM 1376 HO5' DG B 1 -19.692 5.541 25.603 1.00 72.65 H ATOM 1377 P DA B 2 -14.920 2.107 23.270 1.00 51.29 P ANISOU 1377 P DA B 2 8266 5878 5344 217 -980 -1250 P ATOM 1378 OP1 DA B 2 -13.481 2.008 23.596 1.00 52.23 O ANISOU 1378 OP1 DA B 2 8340 6029 5476 108 -1202 -1372 O ATOM 1379 OP2 DA B 2 -15.382 3.098 22.271 1.00 50.73 O ANISOU 1379 OP2 DA B 2 8162 5809 5304 215 -791 -1227 O ATOM 1380 O5' DA B 2 -15.434 0.671 22.811 1.00 50.21 O ANISOU 1380 O5' DA B 2 7937 5823 5316 306 -1016 -1181 O ATOM 1381 C5' DA B 2 -15.221 -0.456 23.643 1.00 50.66 C ANISOU 1381 C5' DA B 2 8027 5869 5351 338 -1173 -1173 C ATOM 1382 C4' DA B 2 -15.912 -1.679 23.073 1.00 49.69 C ANISOU 1382 C4' DA B 2 7760 5801 5320 409 -1158 -1096 C ATOM 1383 O4' DA B 2 -17.344 -1.528 23.215 1.00 50.81 O ANISOU 1383 O4' DA B 2 7990 5921 5396 466 -963 -968 O ATOM 1384 C3' DA B 2 -15.650 -1.919 21.583 1.00 48.65 C ANISOU 1384 C3' DA B 2 7365 5771 5347 393 -1150 -1133 C ATOM 1385 O3' DA B 2 -14.914 -3.120 21.395 1.00 48.72 O ANISOU 1385 O3' DA B 2 7248 5817 5445 411 -1323 -1183 O ATOM 1386 C2' DA B 2 -17.043 -1.979 20.940 1.00 48.31 C ANISOU 1386 C2' DA B 2 7278 5760 5316 436 -964 -1013 C ATOM 1387 C1' DA B 2 -17.986 -2.135 22.124 1.00 50.64 C ANISOU 1387 C1' DA B 2 7775 5985 5481 486 -898 -910 C ATOM 1388 N9 DA B 2 -19.287 -1.497 21.937 1.00 51.71 N ANISOU 1388 N9 DA B 2 7939 6139 5569 532 -679 -793 N ATOM 1389 C8 DA B 2 -19.531 -0.176 21.683 1.00 51.91 C ANISOU 1389 C8 DA B 2 8015 6150 5558 548 -529 -784 C ATOM 1390 N7 DA B 2 -20.805 0.114 21.569 1.00 50.36 N ANISOU 1390 N7 DA B 2 7821 5987 5324 621 -343 -656 N ATOM 1391 C5 DA B 2 -21.440 -1.100 21.765 1.00 50.83 C ANISOU 1391 C5 DA B 2 7822 6096 5396 627 -374 -578 C ATOM 1392 C6 DA B 2 -22.799 -1.471 21.771 1.00 51.14 C ANISOU 1392 C6 DA B 2 7813 6209 5410 673 -239 -429 C ATOM 1393 N6 DA B 2 -23.799 -0.609 21.564 1.00 50.12 N ANISOU 1393 N6 DA B 2 7671 6129 5243 753 -38 -324 N ATOM 1394 N1 DA B 2 -23.091 -2.767 21.996 1.00 53.54 N ANISOU 1394 N1 DA B 2 8079 6537 5725 633 -318 -386 N ATOM 1395 C2 DA B 2 -22.089 -3.627 22.204 1.00 52.58 C ANISOU 1395 C2 DA B 2 7983 6357 5639 580 -516 -484 C ATOM 1396 N3 DA B 2 -20.779 -3.397 22.224 1.00 52.56 N ANISOU 1396 N3 DA B 2 8006 6297 5669 559 -659 -621 N ATOM 1397 C4 DA B 2 -20.519 -2.102 21.995 1.00 51.61 C ANISOU 1397 C4 DA B 2 7908 6167 5536 572 -578 -663 C ATOM 1398 H5' DA B 2 -15.575 -0.272 24.527 1.00 60.66 H ATOM 1399 H5'' DA B 2 -14.269 -0.629 23.709 1.00 60.66 H ATOM 1400 H4' DA B 2 -15.628 -2.461 23.572 1.00 59.51 H ATOM 1401 H3' DA B 2 -15.154 -1.171 21.215 1.00 58.25 H ATOM 1402 H2' DA B 2 -17.232 -1.157 20.460 1.00 57.84 H ATOM 1403 H2'' DA B 2 -17.112 -2.744 20.348 1.00 57.84 H ATOM 1404 H1' DA B 2 -18.114 -3.078 22.311 1.00 60.64 H ATOM 1405 H8 DA B 2 -18.856 0.458 21.597 1.00 62.17 H ATOM 1406 H61 DA B 2 -24.614 -0.885 21.576 1.00 60.02 H ATOM 1407 H62 DA B 2 -23.628 0.221 21.419 1.00 60.02 H ATOM 1408 H2 DA B 2 -22.343 -4.509 22.356 1.00 62.97 H ATOM 1409 P DG B 3 -14.432 -3.552 19.925 1.00 47.95 P ANISOU 1409 P DG B 3 6894 5819 5506 401 -1339 -1243 P ATOM 1410 OP1 DG B 3 -13.171 -4.311 20.068 1.00 48.74 O ANISOU 1410 OP1 DG B 3 6904 5944 5671 422 -1539 -1337 O ATOM 1411 OP2 DG B 3 -14.467 -2.350 19.064 1.00 47.44 O ANISOU 1411 OP2 DG B 3 6761 5799 5464 340 -1205 -1266 O ATOM 1412 O5' DG B 3 -15.578 -4.548 19.433 1.00 47.18 O ANISOU 1412 O5' DG B 3 6763 5727 5434 443 -1263 -1143 O ATOM 1413 C5' DG B 3 -15.874 -5.706 20.192 1.00 47.64 C ANISOU 1413 C5' DG B 3 6923 5724 5455 489 -1347 -1091 C ATOM 1414 C4' DG B 3 -17.076 -6.433 19.625 1.00 47.02 C ANISOU 1414 C4' DG B 3 6815 5663 5388 484 -1246 -990 C ATOM 1415 O4' DG B 3 -18.271 -5.646 19.864 1.00 46.77 O ANISOU 1415 O4' DG B 3 6852 5645 5275 473 -1072 -881 O ATOM 1416 C3' DG B 3 -17.019 -6.684 18.114 1.00 46.24 C ANISOU 1416 C3' DG B 3 6520 5647 5403 455 -1212 -1027 C ATOM 1417 O3' DG B 3 -17.144 -8.076 17.839 1.00 46.42 O ANISOU 1417 O3' DG B 3 6535 5641 5461 464 -1282 -1017 O ATOM 1418 C2' DG B 3 -18.184 -5.868 17.547 1.00 45.55 C ANISOU 1418 C2' DG B 3 6391 5625 5289 420 -1026 -932 C ATOM 1419 C1' DG B 3 -19.110 -5.723 18.739 1.00 46.02 C ANISOU 1419 C1' DG B 3 6620 5636 5231 443 -959 -821 C ATOM 1420 N9 DG B 3 -19.954 -4.532 18.698 1.00 45.85 N ANISOU 1420 N9 DG B 3 6611 5653 5155 454 -784 -741 N ATOM 1421 C8 DG B 3 -19.541 -3.224 18.631 1.00 45.82 C ANISOU 1421 C8 DG B 3 6629 5642 5138 464 -724 -787 C ATOM 1422 N7 DG B 3 -20.526 -2.369 18.614 1.00 45.86 N ANISOU 1422 N7 DG B 3 6665 5674 5087 500 -553 -688 N ATOM 1423 C5 DG B 3 -21.665 -3.161 18.677 1.00 45.93 C ANISOU 1423 C5 DG B 3 6641 5734 5075 507 -500 -565 C ATOM 1424 C6 DG B 3 -23.032 -2.793 18.691 1.00 46.21 C ANISOU 1424 C6 DG B 3 6660 5841 5058 551 -327 -416 C ATOM 1425 O6 DG B 3 -23.522 -1.656 18.649 1.00 46.46 O ANISOU 1425 O6 DG B 3 6717 5889 5047 620 -178 -360 O ATOM 1426 N1 DG B 3 -23.864 -3.907 18.762 1.00 46.42 N ANISOU 1426 N1 DG B 3 6635 5925 5078 512 -334 -323 N ATOM 1427 C2 DG B 3 -23.429 -5.210 18.815 1.00 46.36 C ANISOU 1427 C2 DG B 3 6632 5879 5104 443 -485 -372 C ATOM 1428 N2 DG B 3 -24.380 -6.153 18.882 1.00 46.77 N ANISOU 1428 N2 DG B 3 6656 5983 5133 388 -465 -266 N ATOM 1429 N3 DG B 3 -22.152 -5.566 18.801 1.00 46.12 N ANISOU 1429 N3 DG B 3 6631 5768 5125 431 -643 -510 N ATOM 1430 C4 DG B 3 -21.329 -4.494 18.731 1.00 45.91 C ANISOU 1430 C4 DG B 3 6618 5714 5111 464 -642 -599 C ATOM 1431 H5' DG B 3 -16.061 -5.447 21.108 1.00 57.05 H ATOM 1432 H5'' DG B 3 -15.107 -6.300 20.179 1.00 57.05 H ATOM 1433 H4' DG B 3 -17.168 -7.285 20.079 1.00 56.30 H ATOM 1434 H3' DG B 3 -16.180 -6.352 17.757 1.00 55.37 H ATOM 1435 H2' DG B 3 -17.877 -4.999 17.243 1.00 54.53 H ATOM 1436 H2'' DG B 3 -18.624 -6.349 16.829 1.00 54.53 H ATOM 1437 H1' DG B 3 -19.670 -6.512 18.809 1.00 55.10 H ATOM 1438 H8 DG B 3 -18.646 -2.972 18.597 1.00 54.86 H ATOM 1439 H1 DG B 3 -24.713 -3.770 18.776 1.00 55.58 H ATOM 1440 H21 DG B 3 -24.160 -6.983 18.922 1.00 56.00 H ATOM 1441 H22 DG B 3 -25.210 -5.928 18.885 1.00 56.00 H ATOM 1442 P DG B 4 -17.137 -8.609 16.325 1.00 45.89 P ANISOU 1442 P DG B 4 6309 5637 5490 429 -1257 -1057 P ATOM 1443 OP1 DG B 4 -16.593 -9.984 16.334 1.00 46.59 O ANISOU 1443 OP1 DG B 4 6436 5652 5615 473 -1385 -1106 O ATOM 1444 OP2 DG B 4 -16.506 -7.569 15.484 1.00 45.39 O ANISOU 1444 OP2 DG B 4 6101 5657 5487 411 -1209 -1136 O ATOM 1445 O5' DG B 4 -18.685 -8.678 15.943 1.00 45.44 O ANISOU 1445 O5' DG B 4 6252 5629 5384 356 -1122 -922 O ATOM 1446 C5' DG B 4 -19.573 -9.458 16.728 1.00 45.96 C ANISOU 1446 C5' DG B 4 6448 5641 5374 336 -1121 -817 C ATOM 1447 C4' DG B 4 -20.975 -9.412 16.157 1.00 45.69 C ANISOU 1447 C4' DG B 4 6350 5702 5309 252 -990 -693 C ATOM 1448 O4' DG B 4 -21.567 -8.116 16.444 1.00 45.42 O ANISOU 1448 O4' DG B 4 6293 5736 5229 278 -859 -619 O ATOM 1449 C3' DG B 4 -21.046 -9.598 14.639 1.00 45.21 C ANISOU 1449 C3' DG B 4 6138 5726 5316 186 -969 -725 C ATOM 1450 O3' DG B 4 -21.960 -10.633 14.298 1.00 45.65 O ANISOU 1450 O3' DG B 4 6207 5796 5340 84 -965 -648 O ATOM 1451 C2' DG B 4 -21.486 -8.235 14.111 1.00 44.59 C ANISOU 1451 C2' DG B 4 5941 5764 5237 189 -840 -679 C ATOM 1452 C1' DG B 4 -22.209 -7.619 15.294 1.00 44.92 C ANISOU 1452 C1' DG B 4 6075 5798 5194 234 -758 -571 C ATOM 1453 N9 DG B 4 -22.157 -6.160 15.318 1.00 44.61 N ANISOU 1453 N9 DG B 4 6012 5793 5143 296 -658 -565 N ATOM 1454 C8 DG B 4 -21.033 -5.371 15.332 1.00 44.36 C ANISOU 1454 C8 DG B 4 5996 5715 5144 336 -692 -680 C ATOM 1455 N7 DG B 4 -21.295 -4.093 15.354 1.00 44.29 N ANISOU 1455 N7 DG B 4 5997 5731 5102 376 -575 -643 N ATOM 1456 C5 DG B 4 -22.681 -4.032 15.353 1.00 44.52 C ANISOU 1456 C5 DG B 4 5997 5838 5080 386 -455 -489 C ATOM 1457 C6 DG B 4 -23.543 -2.911 15.369 1.00 44.77 C ANISOU 1457 C6 DG B 4 6026 5924 5060 453 -293 -381 C ATOM 1458 O6 DG B 4 -23.239 -1.711 15.389 1.00 44.80 O ANISOU 1458 O6 DG B 4 6086 5892 5046 510 -220 -406 O ATOM 1459 N1 DG B 4 -24.882 -3.291 15.361 1.00 45.23 N ANISOU 1459 N1 DG B 4 6013 6088 5082 450 -210 -227 N ATOM 1460 C2 DG B 4 -25.329 -4.591 15.342 1.00 45.41 C ANISOU 1460 C2 DG B 4 5992 6152 5112 361 -279 -187 C ATOM 1461 N2 DG B 4 -26.658 -4.763 15.339 1.00 46.08 N ANISOU 1461 N2 DG B 4 5992 6363 5155 347 -184 -28 N ATOM 1462 N3 DG B 4 -24.531 -5.650 15.325 1.00 45.17 N ANISOU 1462 N3 DG B 4 6000 6043 5121 292 -428 -293 N ATOM 1463 C4 DG B 4 -23.226 -5.296 15.331 1.00 44.72 C ANISOU 1463 C4 DG B 4 5995 5891 5107 324 -507 -439 C ATOM 1464 H5' DG B 4 -19.586 -9.112 17.634 1.00 55.03 H ATOM 1465 H5'' DG B 4 -19.264 -10.377 16.741 1.00 55.03 H ATOM 1466 H4' DG B 4 -21.509 -10.101 16.582 1.00 54.71 H ATOM 1467 H3' DG B 4 -20.165 -9.813 14.295 1.00 54.13 H ATOM 1468 H2' DG B 4 -20.716 -7.700 13.864 1.00 53.38 H ATOM 1469 H2'' DG B 4 -22.088 -8.337 13.359 1.00 53.38 H ATOM 1470 H1' DG B 4 -23.135 -7.909 15.292 1.00 53.78 H ATOM 1471 H8 DG B 4 -20.169 -5.714 15.327 1.00 53.10 H ATOM 1472 H1 DG B 4 -25.473 -2.667 15.372 1.00 54.15 H ATOM 1473 H21 DG B 4 -26.989 -5.557 15.336 1.00 55.18 H ATOM 1474 H22 DG B 4 -27.180 -4.080 15.340 1.00 55.18 H ATOM 1475 P DC B 5 -22.114 -11.098 12.768 1.00 50.38 P ANISOU 1475 P DC B 5 6694 6466 5983 -13 -963 -680 P ATOM 1476 OP1 DC B 5 -22.650 -12.477 12.773 1.00 51.93 O ANISOU 1476 OP1 DC B 5 6991 6601 6137 -116 -1014 -642 O ATOM 1477 OP2 DC B 5 -20.837 -10.807 12.078 1.00 48.77 O ANISOU 1477 OP2 DC B 5 6427 6243 5861 53 -1007 -830 O ATOM 1478 O5' DC B 5 -23.233 -10.114 12.183 1.00 53.36 O ANISOU 1478 O5' DC B 5 6925 7018 6333 -64 -831 -558 O ATOM 1479 C5' DC B 5 -24.484 -10.011 12.844 1.00 55.35 C ANISOU 1479 C5' DC B 5 7181 7337 6511 -100 -753 -399 C ATOM 1480 C4' DC B 5 -25.313 -8.864 12.296 1.00 55.60 C ANISOU 1480 C4' DC B 5 7058 7537 6532 -89 -628 -295 C ATOM 1481 O4' DC B 5 -24.743 -7.591 12.710 1.00 55.73 O ANISOU 1481 O4' DC B 5 7089 7523 6562 46 -571 -332 O ATOM 1482 C3' DC B 5 -25.408 -8.797 10.763 1.00 54.92 C ANISOU 1482 C3' DC B 5 6830 7560 6478 -166 -628 -312 C ATOM 1483 O3' DC B 5 -26.766 -8.789 10.359 1.00 55.91 O ANISOU 1483 O3' DC B 5 6834 7855 6553 -253 -565 -153 O ATOM 1484 C2' DC B 5 -24.702 -7.488 10.414 1.00 53.45 C ANISOU 1484 C2' DC B 5 6595 7381 6333 -57 -577 -374 C ATOM 1485 C1' DC B 5 -24.946 -6.675 11.667 1.00 50.72 C ANISOU 1485 C1' DC B 5 6320 7002 5949 56 -499 -308 C ATOM 1486 N1 DC B 5 -24.043 -5.494 11.841 1.00 44.30 N ANISOU 1486 N1 DC B 5 5546 6125 5160 162 -466 -391 N ATOM 1487 C2 DC B 5 -24.603 -4.228 12.050 1.00 44.07 C ANISOU 1487 C2 DC B 5 5508 6145 5092 250 -334 -299 C ATOM 1488 O2 DC B 5 -25.833 -4.111 12.095 1.00 44.63 O ANISOU 1488 O2 DC B 5 5514 6327 5117 261 -245 -145 O ATOM 1489 N3 DC B 5 -23.779 -3.163 12.204 1.00 43.79 N ANISOU 1489 N3 DC B 5 5538 6034 5065 321 -305 -378 N ATOM 1490 C4 DC B 5 -22.459 -3.327 12.151 1.00 43.40 C ANISOU 1490 C4 DC B 5 5528 5895 5068 298 -405 -537 C ATOM 1491 N4 DC B 5 -21.689 -2.245 12.309 1.00 44.25 N ANISOU 1491 N4 DC B 5 5696 5940 5176 339 -375 -608 N ATOM 1492 C5 DC B 5 -21.868 -4.608 11.939 1.00 43.29 C ANISOU 1492 C5 DC B 5 5496 5849 5103 232 -537 -627 C ATOM 1493 C6 DC B 5 -22.690 -5.653 11.789 1.00 43.55 C ANISOU 1493 C6 DC B 5 5498 5929 5120 170 -560 -553 C ATOM 1494 H5' DC B 5 -24.331 -9.866 13.791 1.00 66.29 H ATOM 1495 H5'' DC B 5 -24.974 -10.840 12.726 1.00 66.29 H ATOM 1496 H4' DC B 5 -26.210 -8.933 12.658 1.00 66.60 H ATOM 1497 H3' DC B 5 -24.941 -9.548 10.364 1.00 65.78 H ATOM 1498 H2' DC B 5 -23.754 -7.634 10.272 1.00 64.02 H ATOM 1499 H2'' DC B 5 -25.111 -7.069 9.643 1.00 64.02 H ATOM 1500 H1' DC B 5 -25.869 -6.379 11.679 1.00 60.74 H ATOM 1501 H41 DC B 5 -20.833 -2.319 12.280 1.00 52.97 H ATOM 1502 H42 DC B 5 -22.050 -1.476 12.440 1.00 52.97 H ATOM 1503 H5 DC B 5 -20.945 -4.713 11.904 1.00 51.82 H ATOM 1504 H6 DC B 5 -22.333 -6.500 11.647 1.00 52.13 H ATOM 1505 P DG B 6 -27.276 -9.734 9.167 1.00 56.59 P ANISOU 1505 P DG B 6 6848 8031 6622 -439 -626 -136 P ATOM 1506 OP1 DG B 6 -27.716 -11.013 9.766 1.00 57.19 O ANISOU 1506 OP1 DG B 6 7028 8048 6652 -561 -682 -103 O ATOM 1507 OP2 DG B 6 -26.246 -9.731 8.104 1.00 55.37 O ANISOU 1507 OP2 DG B 6 6695 7825 6519 -439 -679 -286 O ATOM 1508 O5' DG B 6 -28.559 -8.959 8.613 1.00 56.12 O ANISOU 1508 O5' DG B 6 6592 8208 6523 -464 -534 41 O ATOM 1509 C5' DG B 6 -29.558 -8.507 9.522 1.00 54.33 C ANISOU 1509 C5' DG B 6 6311 8076 6255 -406 -435 201 C ATOM 1510 C4' DG B 6 -30.097 -7.151 9.108 1.00 52.06 C ANISOU 1510 C4' DG B 6 5873 7943 5966 -285 -325 309 C ATOM 1511 O4' DG B 6 -29.165 -6.111 9.516 1.00 51.04 O ANISOU 1511 O4' DG B 6 5840 7681 5872 -107 -274 218 O ATOM 1512 C3' DG B 6 -30.304 -6.973 7.600 1.00 49.70 C ANISOU 1512 C3' DG B 6 5431 7784 5667 -363 -358 328 C ATOM 1513 O3' DG B 6 -31.639 -6.567 7.324 1.00 48.72 O ANISOU 1513 O3' DG B 6 5115 7900 5498 -369 -292 529 O ATOM 1514 C2' DG B 6 -29.275 -5.913 7.205 1.00 50.23 C ANISOU 1514 C2' DG B 6 5546 7758 5781 -225 -328 219 C ATOM 1515 C1' DG B 6 -29.077 -5.146 8.494 1.00 47.08 C ANISOU 1515 C1' DG B 6 5246 7256 5387 -52 -235 227 C ATOM 1516 N9 DG B 6 -27.789 -4.463 8.588 1.00 47.33 N ANISOU 1516 N9 DG B 6 5397 7124 5462 44 -235 74 N ATOM 1517 C8 DG B 6 -26.544 -5.038 8.561 1.00 48.36 C ANISOU 1517 C8 DG B 6 5629 7104 5640 -1 -335 -106 C ATOM 1518 N7 DG B 6 -25.571 -4.175 8.663 1.00 49.14 N ANISOU 1518 N7 DG B 6 5796 7104 5770 88 -311 -206 N ATOM 1519 C5 DG B 6 -26.212 -2.949 8.767 1.00 48.75 C ANISOU 1519 C5 DG B 6 5720 7117 5685 199 -186 -89 C ATOM 1520 C6 DG B 6 -25.673 -1.648 8.905 1.00 48.97 C ANISOU 1520 C6 DG B 6 5824 7071 5713 309 -106 -123 C ATOM 1521 O6 DG B 6 -24.482 -1.313 8.963 1.00 45.27 O ANISOU 1521 O6 DG B 6 5441 6483 5278 310 -139 -267 O ATOM 1522 N1 DG B 6 -26.673 -0.683 8.976 1.00 50.28 N ANISOU 1522 N1 DG B 6 5957 7318 5828 422 25 35 N ATOM 1523 C2 DG B 6 -28.021 -0.944 8.921 1.00 51.21 C ANISOU 1523 C2 DG B 6 5947 7600 5909 433 71 210 C ATOM 1524 N2 DG B 6 -28.834 0.118 9.007 1.00 54.11 N ANISOU 1524 N2 DG B 6 6289 8036 6233 582 209 354 N ATOM 1525 N3 DG B 6 -28.538 -2.158 8.794 1.00 51.15 N ANISOU 1525 N3 DG B 6 5846 7685 5903 306 -9 245 N ATOM 1526 C4 DG B 6 -27.578 -3.109 8.722 1.00 48.86 C ANISOU 1526 C4 DG B 6 5622 7288 5654 190 -135 87 C ATOM 1527 H5' DG B 6 -29.174 -8.439 10.410 1.00 65.07 H ATOM 1528 H5'' DG B 6 -30.286 -9.147 9.538 1.00 65.07 H ATOM 1529 H4' DG B 6 -30.944 -7.003 9.557 1.00 62.35 H ATOM 1530 H3' DG B 6 -30.111 -7.805 7.141 1.00 59.51 H ATOM 1531 H2' DG B 6 -28.446 -6.329 6.922 1.00 60.15 H ATOM 1532 H2'' DG B 6 -29.626 -5.334 6.512 1.00 60.15 H ATOM 1533 H1' DG B 6 -29.793 -4.500 8.598 1.00 56.37 H ATOM 1534 H8 DG B 6 -26.407 -5.953 8.474 1.00 57.90 H ATOM 1535 H1 DG B 6 -26.429 0.137 9.060 1.00 60.21 H ATOM 1536 H21 DG B 6 -29.687 0.010 8.980 1.00 64.80 H ATOM 1537 H22 DG B 6 -28.503 0.907 9.089 1.00 64.80 H ATOM 1538 P DT B 7 -32.121 -6.349 5.807 1.00 49.24 P ANISOU 1538 P DT B 7 5010 8159 5540 -454 -331 596 P ATOM 1539 OP1 DT B 7 -33.588 -6.535 5.767 1.00 50.90 O ANISOU 1539 OP1 DT B 7 5020 8626 5695 -533 -310 806 O ATOM 1540 OP2 DT B 7 -31.251 -7.170 4.937 1.00 48.64 O ANISOU 1540 OP2 DT B 7 5029 7976 5475 -604 -452 429 O ATOM 1541 O5' DT B 7 -31.789 -4.812 5.518 1.00 50.84 O ANISOU 1541 O5' DT B 7 5195 8355 5765 -237 -233 609 O ATOM 1542 C5' DT B 7 -32.301 -3.803 6.378 1.00 49.94 C ANISOU 1542 C5' DT B 7 5058 8271 5644 -34 -93 727 C ATOM 1543 C4' DT B 7 -31.837 -2.426 5.939 1.00 53.04 C ANISOU 1543 C4' DT B 7 5486 8617 6050 143 -15 713 C ATOM 1544 O4' DT B 7 -30.444 -2.251 6.287 1.00 53.38 O ANISOU 1544 O4' DT B 7 5728 8415 6138 175 -31 514 O ATOM 1545 C3' DT B 7 -31.931 -2.166 4.431 1.00 49.62 C ANISOU 1545 C3' DT B 7 4944 8309 5599 82 -67 743 C ATOM 1546 O3' DT B 7 -32.932 -1.194 4.156 1.00 53.87 O ANISOU 1546 O3' DT B 7 5340 9027 6100 229 25 942 O ATOM 1547 C2' DT B 7 -30.528 -1.688 4.027 1.00 48.48 C ANISOU 1547 C2' DT B 7 4959 7966 5493 107 -79 555 C ATOM 1548 C1' DT B 7 -29.855 -1.382 5.356 1.00 49.11 C ANISOU 1548 C1' DT B 7 5207 7846 5606 222 -16 464 C ATOM 1549 N1 DT B 7 -28.377 -1.605 5.357 1.00 49.45 N ANISOU 1549 N1 DT B 7 5399 7689 5700 169 -79 244 N ATOM 1550 C2 DT B 7 -27.531 -0.521 5.448 1.00 49.75 C ANISOU 1550 C2 DT B 7 5552 7597 5753 274 -14 166 C ATOM 1551 O2 DT B 7 -27.922 0.629 5.530 1.00 49.50 O ANISOU 1551 O2 DT B 7 5539 7579 5692 414 97 263 O ATOM 1552 N3 DT B 7 -26.199 -0.833 5.441 1.00 50.82 N ANISOU 1552 N3 DT B 7 5784 7586 5938 208 -82 -29 N ATOM 1553 C4 DT B 7 -25.637 -2.091 5.353 1.00 50.83 C ANISOU 1553 C4 DT B 7 5789 7549 5976 82 -198 -149 C ATOM 1554 O4 DT B 7 -24.423 -2.269 5.355 1.00 54.07 O ANISOU 1554 O4 DT B 7 6270 7840 6433 55 -247 -315 O ATOM 1555 C5 DT B 7 -26.577 -3.182 5.261 1.00 49.46 C ANISOU 1555 C5 DT B 7 5530 7485 5776 -16 -256 -63 C ATOM 1556 C7 DT B 7 -26.082 -4.594 5.161 1.00 50.59 C ANISOU 1556 C7 DT B 7 5711 7567 5944 -150 -374 -181 C ATOM 1557 C6 DT B 7 -27.887 -2.891 5.267 1.00 50.02 C ANISOU 1557 C6 DT B 7 5494 7713 5798 16 -197 127 C ATOM 1558 H5' DT B 7 -31.993 -3.969 7.283 1.00 59.80 H ATOM 1559 H5'' DT B 7 -33.270 -3.832 6.362 1.00 59.80 H ATOM 1560 H4' DT B 7 -32.362 -1.756 6.405 1.00 63.52 H ATOM 1561 H3' DT B 7 -32.141 -2.992 3.969 1.00 59.42 H ATOM 1562 H2' DT B 7 -30.051 -2.390 3.557 1.00 58.05 H ATOM 1563 H2'' DT B 7 -30.585 -0.888 3.482 1.00 58.05 H ATOM 1564 H1' DT B 7 -30.044 -0.465 5.609 1.00 58.81 H ATOM 1565 H3 DT B 7 -25.651 -0.173 5.497 1.00 60.85 H ATOM 1566 H71 DT B 7 -26.744 -5.196 5.535 1.00 60.58 H ATOM 1567 H72 DT B 7 -25.930 -4.818 4.231 1.00 60.58 H ATOM 1568 H73 DT B 7 -25.251 -4.681 5.654 1.00 60.58 H ATOM 1569 H6 DT B 7 -28.495 -3.592 5.207 1.00 59.90 H ATOM 1570 P DG B 8 -33.416 -0.935 2.647 1.00 58.30 P ANISOU 1570 P DG B 8 5747 9785 6618 174 -33 1041 P ATOM 1571 OP1 DG B 8 -34.871 -0.670 2.681 1.00 63.47 O ANISOU 1571 OP1 DG B 8 6178 10707 7231 253 16 1288 O ATOM 1572 OP2 DG B 8 -32.887 -2.032 1.807 1.00 61.35 O ANISOU 1572 OP2 DG B 8 6155 10154 7000 -75 -181 907 O ATOM 1573 O5' DG B 8 -32.660 0.409 2.230 1.00 59.98 O ANISOU 1573 O5' DG B 8 6088 9864 6837 344 48 992 O ATOM 1574 C5' DG B 8 -32.819 1.584 3.013 1.00 56.81 C ANISOU 1574 C5' DG B 8 5760 9389 6435 592 202 1066 C ATOM 1575 C4' DG B 8 -31.969 2.714 2.467 1.00 57.65 C ANISOU 1575 C4' DG B 8 6021 9346 6538 689 256 993 C ATOM 1576 O4' DG B 8 -30.564 2.422 2.714 1.00 50.84 O ANISOU 1576 O4' DG B 8 5340 8255 5724 586 214 756 O ATOM 1577 C3' DG B 8 -32.097 2.937 0.960 1.00 59.67 C ANISOU 1577 C3' DG B 8 6191 9730 6752 627 193 1049 C ATOM 1578 O3' DG B 8 -32.125 4.323 0.657 1.00 60.40 O ANISOU 1578 O3' DG B 8 6364 9776 6809 823 303 1132 O ATOM 1579 C2' DG B 8 -30.863 2.245 0.398 1.00 56.20 C ANISOU 1579 C2' DG B 8 5850 9162 6341 420 90 825 C ATOM 1580 C1' DG B 8 -29.841 2.466 1.501 1.00 54.42 C ANISOU 1580 C1' DG B 8 5815 8689 6172 474 150 663 C ATOM 1581 N9 DG B 8 -28.779 1.462 1.548 1.00 52.56 N ANISOU 1581 N9 DG B 8 5644 8338 5986 301 52 454 N ATOM 1582 C8 DG B 8 -28.893 0.114 1.294 1.00 52.98 C ANISOU 1582 C8 DG B 8 5618 8464 6048 124 -67 408 C ATOM 1583 N7 DG B 8 -27.768 -0.534 1.419 1.00 51.72 N ANISOU 1583 N7 DG B 8 5556 8158 5937 28 -124 211 N ATOM 1584 C5 DG B 8 -26.851 0.444 1.785 1.00 51.79 C ANISOU 1584 C5 DG B 8 5696 8009 5975 131 -48 124 C ATOM 1585 C6 DG B 8 -25.466 0.339 2.062 1.00 52.27 C ANISOU 1585 C6 DG B 8 5870 7898 6091 94 -68 -76 C ATOM 1586 O6 DG B 8 -24.752 -0.673 2.039 1.00 53.04 O ANISOU 1586 O6 DG B 8 5980 7944 6231 -10 -155 -217 O ATOM 1587 N1 DG B 8 -24.913 1.573 2.396 1.00 50.47 N ANISOU 1587 N1 DG B 8 5755 7557 5864 197 25 -101 N ATOM 1588 C2 DG B 8 -25.610 2.756 2.453 1.00 49.09 C ANISOU 1588 C2 DG B 8 5610 7404 5640 336 135 45 C ATOM 1589 N2 DG B 8 -24.907 3.845 2.792 1.00 47.17 N ANISOU 1589 N2 DG B 8 5517 7013 5392 403 217 -11 N ATOM 1590 N3 DG B 8 -26.905 2.867 2.195 1.00 47.99 N ANISOU 1590 N3 DG B 8 5362 7420 5452 404 162 237 N ATOM 1591 C4 DG B 8 -27.459 1.675 1.870 1.00 51.26 C ANISOU 1591 C4 DG B 8 5637 7973 5868 288 63 267 C ATOM 1592 H5' DG B 8 -32.552 1.397 3.927 1.00 68.04 H ATOM 1593 H5'' DG B 8 -33.751 1.852 3.001 1.00 68.04 H ATOM 1594 H4' DG B 8 -32.205 3.535 2.927 1.00 69.06 H ATOM 1595 H3' DG B 8 -32.900 2.506 0.628 1.00 71.48 H ATOM 1596 H2' DG B 8 -31.031 1.300 0.264 1.00 67.32 H ATOM 1597 H2'' DG B 8 -30.577 2.667 -0.427 1.00 67.32 H ATOM 1598 H1' DG B 8 -29.445 3.345 1.398 1.00 65.18 H ATOM 1599 H8 DG B 8 -29.693 -0.294 1.051 1.00 63.45 H ATOM 1600 H1 DG B 8 -24.073 1.597 2.579 1.00 60.44 H ATOM 1601 H21 DG B 8 -25.294 4.612 2.830 1.00 56.48 H ATOM 1602 H22 DG B 8 -24.069 3.777 2.972 1.00 56.48 H ATOM 1603 P DG B 9 -32.837 4.845 -0.684 1.00 60.50 P ANISOU 1603 P DG B 9 6250 9985 6751 863 276 1305 P ATOM 1604 OP1 DG B 9 -34.168 5.377 -0.316 1.00 62.64 O ANISOU 1604 OP1 DG B 9 6374 10436 6992 1082 360 1551 O ATOM 1605 OP2 DG B 9 -32.731 3.772 -1.696 1.00 59.34 O ANISOU 1605 OP2 DG B 9 5997 9961 6587 605 114 1245 O ATOM 1606 O5' DG B 9 -31.918 6.061 -1.153 1.00 65.54 O ANISOU 1606 O5' DG B 9 7113 10421 7368 951 358 1233 O ATOM 1607 C5' DG B 9 -31.556 7.067 -0.221 1.00 64.43 C ANISOU 1607 C5' DG B 9 7173 10070 7239 1137 507 1207 C ATOM 1608 C4' DG B 9 -30.146 7.559 -0.479 1.00 64.49 C ANISOU 1608 C4' DG B 9 7409 9837 7255 1052 526 1011 C ATOM 1609 O4' DG B 9 -29.204 6.486 -0.207 1.00 62.14 O ANISOU 1609 O4' DG B 9 7118 9468 7024 838 428 798 O ATOM 1610 C3' DG B 9 -29.881 8.012 -1.918 1.00 64.99 C ANISOU 1610 C3' DG B 9 7495 9936 7262 991 495 1030 C ATOM 1611 O3' DG B 9 -29.341 9.326 -1.930 1.00 64.75 O ANISOU 1611 O3' DG B 9 7699 9708 7196 1105 618 1018 O ATOM 1612 C2' DG B 9 -28.903 6.971 -2.467 1.00 61.66 C ANISOU 1612 C2' DG B 9 7049 9500 6878 722 373 827 C ATOM 1613 C1' DG B 9 -28.221 6.457 -1.214 1.00 57.87 C ANISOU 1613 C1' DG B 9 6637 8873 6480 681 377 664 C ATOM 1614 N9 DG B 9 -27.702 5.094 -1.327 1.00 50.56 N ANISOU 1614 N9 DG B 9 5628 7979 5605 474 252 513 N ATOM 1615 C8 DG B 9 -28.396 3.967 -1.695 1.00 49.60 C ANISOU 1615 C8 DG B 9 5331 8038 5476 365 142 563 C ATOM 1616 N7 DG B 9 -27.667 2.885 -1.697 1.00 47.29 N ANISOU 1616 N7 DG B 9 5039 7701 5230 197 54 393 N ATOM 1617 C5 DG B 9 -26.411 3.322 -1.299 1.00 46.44 C ANISOU 1617 C5 DG B 9 5085 7391 5168 202 104 225 C ATOM 1618 C6 DG B 9 -25.211 2.598 -1.119 1.00 45.42 C ANISOU 1618 C6 DG B 9 5007 7147 5102 82 51 12 C ATOM 1619 O6 DG B 9 -25.016 1.386 -1.280 1.00 45.55 O ANISOU 1619 O6 DG B 9 4968 7195 5145 -42 -45 -76 O ATOM 1620 N1 DG B 9 -24.168 3.424 -0.712 1.00 46.18 N ANISOU 1620 N1 DG B 9 5240 7077 5227 119 121 -98 N ATOM 1621 C2 DG B 9 -24.273 4.779 -0.504 1.00 50.16 C ANISOU 1621 C2 DG B 9 5855 7509 5696 243 233 -20 C ATOM 1622 N2 DG B 9 -23.158 5.410 -0.110 1.00 50.87 N ANISOU 1622 N2 DG B 9 6082 7437 5811 226 281 -152 N ATOM 1623 N3 DG B 9 -25.393 5.469 -0.670 1.00 48.91 N ANISOU 1623 N3 DG B 9 5677 7431 5474 375 294 177 N ATOM 1624 C4 DG B 9 -26.417 4.679 -1.068 1.00 47.99 C ANISOU 1624 C4 DG B 9 5393 7503 5338 353 222 294 C ATOM 1625 H5' DG B 9 -31.608 6.704 0.677 1.00 77.19 H ATOM 1626 H5'' DG B 9 -32.173 7.811 -0.300 1.00 77.19 H ATOM 1627 H4' DG B 9 -29.959 8.298 0.120 1.00 77.26 H ATOM 1628 H3' DG B 9 -30.706 7.989 -2.427 1.00 77.86 H ATOM 1629 H2' DG B 9 -29.380 6.256 -2.917 1.00 73.86 H ATOM 1630 H2'' DG B 9 -28.259 7.385 -3.063 1.00 73.86 H ATOM 1631 H1' DG B 9 -27.498 7.057 -0.973 1.00 69.32 H ATOM 1632 H8 DG B 9 -29.298 3.975 -1.923 1.00 59.39 H ATOM 1633 H1 DG B 9 -23.400 3.059 -0.579 1.00 55.28 H ATOM 1634 H21 DG B 9 -23.172 6.258 0.034 1.00 60.92 H ATOM 1635 H22 DG B 9 -22.429 4.967 -0.001 1.00 60.92 H ATOM 1636 P DC B 10 -29.162 10.115 -3.316 1.00 65.51 P ANISOU 1636 P DC B 10 7871 9809 7212 1094 628 1076 P ATOM 1637 OP1 DC B 10 -29.145 11.560 -3.003 1.00 63.40 O ANISOU 1637 OP1 DC B 10 7838 9359 6894 1300 785 1149 O ATOM 1638 OP2 DC B 10 -30.155 9.581 -4.276 1.00 65.12 O ANISOU 1638 OP2 DC B 10 7593 10033 7116 1074 523 1236 O ATOM 1639 O5' DC B 10 -27.704 9.683 -3.806 1.00 64.61 O ANISOU 1639 O5' DC B 10 7841 9579 7129 834 573 829 O ATOM 1640 C5' DC B 10 -26.579 9.942 -2.978 1.00 59.42 C ANISOU 1640 C5' DC B 10 7357 8697 6523 781 631 644 C ATOM 1641 C4' DC B 10 -25.318 9.308 -3.543 1.00 54.34 C ANISOU 1641 C4' DC B 10 6712 8017 5918 536 561 428 C ATOM 1642 O4' DC B 10 -25.205 7.944 -3.088 1.00 53.57 O ANISOU 1642 O4' DC B 10 6463 7994 5899 429 452 324 O ATOM 1643 C3' DC B 10 -25.264 9.196 -5.055 1.00 50.11 C ANISOU 1643 C3' DC B 10 6126 7594 5320 422 514 450 C ATOM 1644 O3' DC B 10 -24.833 10.419 -5.643 1.00 51.00 O ANISOU 1644 O3' DC B 10 6428 7587 5362 443 614 474 O ATOM 1645 C2' DC B 10 -24.266 8.055 -5.270 1.00 48.86 C ANISOU 1645 C2' DC B 10 5893 7446 5226 203 427 235 C ATOM 1646 C1' DC B 10 -24.361 7.232 -3.976 1.00 47.92 C ANISOU 1646 C1' DC B 10 5700 7310 5197 230 380 176 C ATOM 1647 N1 DC B 10 -24.922 5.862 -4.178 1.00 47.98 N ANISOU 1647 N1 DC B 10 5524 7482 5224 148 257 184 N ATOM 1648 C2 DC B 10 -24.100 4.742 -4.007 1.00 46.55 C ANISOU 1648 C2 DC B 10 5302 7272 5112 6 182 -3 C ATOM 1649 O2 DC B 10 -22.918 4.904 -3.682 1.00 45.98 O ANISOU 1649 O2 DC B 10 5316 7062 5092 -42 213 -167 O ATOM 1650 N3 DC B 10 -24.626 3.507 -4.200 1.00 46.42 N ANISOU 1650 N3 DC B 10 5158 7380 5100 -76 76 5 N ATOM 1651 C4 DC B 10 -25.905 3.373 -4.549 1.00 47.26 C ANISOU 1651 C4 DC B 10 5156 7655 5145 -44 35 189 C ATOM 1652 N4 DC B 10 -26.378 2.136 -4.727 1.00 47.28 N ANISOU 1652 N4 DC B 10 5049 7771 5143 -160 -73 187 N ATOM 1653 C5 DC B 10 -26.757 4.501 -4.730 1.00 48.87 C ANISOU 1653 C5 DC B 10 5363 7920 5285 108 104 388 C ATOM 1654 C6 DC B 10 -26.228 5.714 -4.539 1.00 50.90 C ANISOU 1654 C6 DC B 10 5771 8031 5538 210 217 378 C ATOM 1655 H5' DC B 10 -26.746 9.581 -2.093 1.00 71.18 H ATOM 1656 H5'' DC B 10 -26.449 10.901 -2.910 1.00 71.18 H ATOM 1657 H4' DC B 10 -24.547 9.809 -3.235 1.00 65.08 H ATOM 1658 H3' DC B 10 -26.134 8.946 -5.403 1.00 60.00 H ATOM 1659 HO3' DC B 10 -24.136 10.437 -6.111 1.00 61.07 H ATOM 1660 H2' DC B 10 -24.524 7.517 -6.035 1.00 58.51 H ATOM 1661 H2'' DC B 10 -23.369 8.405 -5.385 1.00 58.51 H ATOM 1662 H1' DC B 10 -23.478 7.160 -3.582 1.00 57.38 H ATOM 1663 H41 DC B 10 -27.199 2.018 -4.952 1.00 56.61 H ATOM 1664 H42 DC B 10 -25.861 1.458 -4.616 1.00 56.61 H ATOM 1665 H5 DC B 10 -27.648 4.397 -4.974 1.00 58.52 H ATOM 1666 H6 DC B 10 -26.760 6.468 -4.650 1.00 60.96 H TER 1667 DC B 10 ATOM 1668 O5' DG C 1 -18.338 -4.928 -3.862 1.00 66.91 O ANISOU 1668 O5' DG C 1 8080 9860 7485 -361 -83 542 O ATOM 1669 C5' DG C 1 -17.330 -4.430 -4.735 1.00 61.59 C ANISOU 1669 C5' DG C 1 7418 9196 6787 -361 68 611 C ATOM 1670 C4' DG C 1 -16.873 -3.051 -4.301 1.00 58.01 C ANISOU 1670 C4' DG C 1 7072 8543 6425 -522 313 649 C ATOM 1671 O4' DG C 1 -17.898 -2.075 -4.638 1.00 57.03 O ANISOU 1671 O4' DG C 1 7106 8287 6277 -376 462 780 O ATOM 1672 C3' DG C 1 -16.630 -2.900 -2.804 1.00 55.15 C ANISOU 1672 C3' DG C 1 6697 8085 6173 -762 286 515 C ATOM 1673 O3' DG C 1 -15.534 -2.028 -2.558 1.00 53.39 O ANISOU 1673 O3' DG C 1 6493 7757 6037 -970 465 488 O ATOM 1674 C2' DG C 1 -17.951 -2.338 -2.295 1.00 53.86 C ANISOU 1674 C2' DG C 1 6657 7786 6019 -688 318 559 C ATOM 1675 C1' DG C 1 -18.424 -1.483 -3.462 1.00 54.91 C ANISOU 1675 C1' DG C 1 6916 7856 6091 -494 501 733 C ATOM 1676 N9 DG C 1 -19.878 -1.406 -3.591 1.00 51.94 N ANISOU 1676 N9 DG C 1 6607 7476 5652 -285 464 808 N ATOM 1677 C8 DG C 1 -20.762 -2.455 -3.643 1.00 50.55 C ANISOU 1677 C8 DG C 1 6332 7456 5418 -154 244 772 C ATOM 1678 N7 DG C 1 -22.005 -2.082 -3.769 1.00 50.83 N ANISOU 1678 N7 DG C 1 6436 7470 5408 20 266 849 N ATOM 1679 C5 DG C 1 -21.942 -0.696 -3.808 1.00 52.39 C ANISOU 1679 C5 DG C 1 6807 7476 5622 22 521 953 C ATOM 1680 C6 DG C 1 -22.978 0.259 -3.937 1.00 53.46 C ANISOU 1680 C6 DG C 1 7089 7511 5713 196 662 1073 C ATOM 1681 O6 DG C 1 -24.197 0.061 -4.042 1.00 53.23 O ANISOU 1681 O6 DG C 1 7040 7568 5615 386 576 1108 O ATOM 1682 N1 DG C 1 -22.482 1.560 -3.935 1.00 55.14 N ANISOU 1682 N1 DG C 1 7483 7501 5968 134 933 1153 N ATOM 1683 C2 DG C 1 -21.153 1.893 -3.822 1.00 55.78 C ANISOU 1683 C2 DG C 1 7578 7478 6138 -93 1051 1111 C ATOM 1684 N2 DG C 1 -20.866 3.202 -3.840 1.00 57.69 N ANISOU 1684 N2 DG C 1 8010 7483 6429 -142 1329 1193 N ATOM 1685 N3 DG C 1 -20.173 1.007 -3.701 1.00 54.80 N ANISOU 1685 N3 DG C 1 7293 7474 6055 -257 912 994 N ATOM 1686 C4 DG C 1 -20.640 -0.264 -3.700 1.00 53.08 C ANISOU 1686 C4 DG C 1 6919 7466 5783 -177 650 925 C ATOM 1687 H5' DG C 1 -17.685 -4.379 -5.636 1.00 73.78 H ATOM 1688 H5'' DG C 1 -16.572 -5.035 -4.725 1.00 73.78 H ATOM 1689 H4' DG C 1 -16.057 -2.827 -4.776 1.00 69.49 H ATOM 1690 H3' DG C 1 -16.462 -3.768 -2.405 1.00 66.05 H ATOM 1691 H2' DG C 1 -18.581 -3.053 -2.115 1.00 64.50 H ATOM 1692 H2'' DG C 1 -17.812 -1.793 -1.505 1.00 64.50 H ATOM 1693 H1' DG C 1 -18.064 -0.587 -3.368 1.00 65.76 H ATOM 1694 H8 DG C 1 -20.500 -3.346 -3.588 1.00 60.53 H ATOM 1695 H1 DG C 1 -23.049 2.203 -4.007 1.00 66.04 H ATOM 1696 H21 DG C 1 -20.050 3.464 -3.773 1.00 69.11 H ATOM 1697 H22 DG C 1 -21.498 3.780 -3.918 1.00 69.11 H ATOM 1698 HO5' DG C 1 -18.675 -5.685 -3.998 1.00 80.17 H ATOM 1699 P DC C 2 -15.072 -1.710 -1.054 1.00 53.49 P ANISOU 1699 P DC C 2 6488 7675 6158 -1234 457 328 P ATOM 1700 OP1 DC C 2 -13.594 -1.648 -1.038 1.00 53.40 O ANISOU 1700 OP1 DC C 2 6364 7725 6200 -1429 508 245 O ATOM 1701 OP2 DC C 2 -15.780 -2.651 -0.159 1.00 54.11 O ANISOU 1701 OP2 DC C 2 6517 7831 6210 -1195 233 240 O ATOM 1702 O5' DC C 2 -15.648 -0.247 -0.781 1.00 53.82 O ANISOU 1702 O5' DC C 2 6730 7452 6267 -1272 684 394 O ATOM 1703 C5' DC C 2 -15.254 0.833 -1.614 1.00 56.56 C ANISOU 1703 C5' DC C 2 7184 7660 6646 -1284 946 511 C ATOM 1704 C4' DC C 2 -15.929 2.120 -1.182 1.00 59.09 C ANISOU 1704 C4' DC C 2 7716 7713 7024 -1305 1143 560 C ATOM 1705 O4' DC C 2 -17.352 2.026 -1.449 1.00 59.10 O ANISOU 1705 O4' DC C 2 7810 7716 6929 -1040 1096 674 O ATOM 1706 C3' DC C 2 -15.783 2.443 0.305 1.00 58.76 C ANISOU 1706 C3' DC C 2 7688 7562 7076 -1531 1109 385 C ATOM 1707 O3' DC C 2 -15.334 3.780 0.484 1.00 60.34 O ANISOU 1707 O3' DC C 2 8030 7511 7385 -1705 1365 378 O ATOM 1708 C2' DC C 2 -17.180 2.213 0.880 1.00 59.17 C ANISOU 1708 C2' DC C 2 7813 7602 7068 -1364 994 407 C ATOM 1709 C1' DC C 2 -18.089 2.430 -0.319 1.00 58.17 C ANISOU 1709 C1' DC C 2 7785 7468 6849 -1084 1083 612 C ATOM 1710 N1 DC C 2 -19.359 1.638 -0.275 1.00 59.52 N ANISOU 1710 N1 DC C 2 7919 7770 6926 -865 897 649 N ATOM 1711 C2 DC C 2 -20.592 2.290 -0.410 1.00 60.78 C ANISOU 1711 C2 DC C 2 8229 7829 7035 -669 990 770 C ATOM 1712 O2 DC C 2 -20.614 3.518 -0.557 1.00 59.65 O ANISOU 1712 O2 DC C 2 8272 7474 6919 -665 1231 852 O ATOM 1713 N3 DC C 2 -21.730 1.552 -0.373 1.00 60.15 N ANISOU 1713 N3 DC C 2 8086 7888 6881 -486 819 792 N ATOM 1714 C4 DC C 2 -21.665 0.229 -0.213 1.00 59.44 C ANISOU 1714 C4 DC C 2 7811 7997 6776 -506 578 701 C ATOM 1715 N4 DC C 2 -22.813 -0.455 -0.182 1.00 59.19 N ANISOU 1715 N4 DC C 2 7716 8084 6690 -346 429 720 N ATOM 1716 C5 DC C 2 -20.421 -0.451 -0.077 1.00 59.09 C ANISOU 1716 C5 DC C 2 7637 8040 6774 -688 487 587 C ATOM 1717 C6 DC C 2 -19.305 0.284 -0.116 1.00 59.25 C ANISOU 1717 C6 DC C 2 7702 7952 6857 -856 646 564 C ATOM 1718 H5' DC C 2 -15.501 0.635 -2.531 1.00 67.75 H ATOM 1719 H5'' DC C 2 -14.292 0.943 -1.560 1.00 67.75 H ATOM 1720 H4' DC C 2 -15.562 2.854 -1.699 1.00 70.79 H ATOM 1721 H3' DC C 2 -15.155 1.827 0.714 1.00 70.39 H ATOM 1722 H2' DC C 2 -17.265 1.308 1.218 1.00 70.88 H ATOM 1723 H2'' DC C 2 -17.373 2.859 1.577 1.00 70.88 H ATOM 1724 H1' DC C 2 -18.299 3.373 -0.395 1.00 69.68 H ATOM 1725 H41 DC C 2 -22.802 -1.309 -0.080 1.00 70.91 H ATOM 1726 H42 DC C 2 -23.562 -0.041 -0.264 1.00 70.91 H ATOM 1727 H5 DC C 2 -20.386 -1.374 0.034 1.00 70.78 H ATOM 1728 H6 DC C 2 -18.479 -0.134 -0.030 1.00 70.97 H ATOM 1729 P DC C 3 -14.813 4.267 1.922 1.00 60.11 P ANISOU 1729 P DC C 3 8005 7365 7470 -1991 1361 161 P ATOM 1730 OP1 DC C 3 -13.958 5.456 1.710 1.00 62.85 O ANISOU 1730 OP1 DC C 3 8438 7498 7943 -2204 1631 149 O ATOM 1731 OP2 DC C 3 -14.267 3.084 2.625 1.00 58.51 O ANISOU 1731 OP2 DC C 3 7579 7410 7241 -2073 1094 -5 O ATOM 1732 O5' DC C 3 -16.151 4.712 2.675 1.00 59.66 O ANISOU 1732 O5' DC C 3 8131 7156 7381 -1866 1362 185 O ATOM 1733 C5' DC C 3 -17.015 5.660 2.068 1.00 60.78 C ANISOU 1733 C5' DC C 3 8497 7095 7500 -1696 1575 365 C ATOM 1734 C4' DC C 3 -18.288 5.834 2.872 1.00 60.04 C ANISOU 1734 C4' DC C 3 8529 6926 7357 -1558 1524 373 C ATOM 1735 O4' DC C 3 -19.234 4.776 2.531 1.00 57.90 O ANISOU 1735 O4' DC C 3 8159 6875 6967 -1309 1327 460 O ATOM 1736 C3' DC C 3 -18.107 5.758 4.391 1.00 62.54 C ANISOU 1736 C3' DC C 3 8815 7224 7724 -1744 1403 160 C ATOM 1737 O3' DC C 3 -18.860 6.770 5.027 1.00 71.43 O ANISOU 1737 O3' DC C 3 10164 8113 8863 -1710 1540 169 O ATOM 1738 C2' DC C 3 -18.628 4.369 4.724 1.00 60.63 C ANISOU 1738 C2' DC C 3 8399 7246 7393 -1618 1120 136 C ATOM 1739 C1' DC C 3 -19.761 4.246 3.725 1.00 56.53 C ANISOU 1739 C1' DC C 3 7935 6763 6779 -1324 1146 346 C ATOM 1740 N1 DC C 3 -20.258 2.848 3.482 1.00 54.32 N ANISOU 1740 N1 DC C 3 7476 6747 6417 -1174 904 370 N ATOM 1741 C2 DC C 3 -21.595 2.653 3.119 1.00 53.64 C ANISOU 1741 C2 DC C 3 7424 6711 6247 -919 869 501 C ATOM 1742 O2 DC C 3 -22.337 3.636 2.998 1.00 54.81 O ANISOU 1742 O2 DC C 3 7750 6700 6375 -799 1036 605 O ATOM 1743 N3 DC C 3 -22.041 1.391 2.905 1.00 51.91 N ANISOU 1743 N3 DC C 3 7040 6714 5971 -809 655 504 N ATOM 1744 C4 DC C 3 -21.211 0.358 3.047 1.00 50.84 C ANISOU 1744 C4 DC C 3 6735 6731 5850 -927 490 396 C ATOM 1745 N4 DC C 3 -21.696 -0.867 2.826 1.00 49.63 N ANISOU 1745 N4 DC C 3 6443 6767 5647 -818 294 400 N ATOM 1746 C5 DC C 3 -19.848 0.534 3.417 1.00 51.44 C ANISOU 1746 C5 DC C 3 6776 6776 5993 -1160 521 273 C ATOM 1747 C6 DC C 3 -19.418 1.782 3.625 1.00 53.20 C ANISOU 1747 C6 DC C 3 7139 6793 6281 -1285 724 258 C ATOM 1748 H5' DC C 3 -17.242 5.357 1.175 1.00 72.80 H ATOM 1749 H5'' DC C 3 -16.558 6.514 2.008 1.00 72.80 H ATOM 1750 H4' DC C 3 -18.684 6.691 2.648 1.00 71.92 H ATOM 1751 H3' DC C 3 -17.169 5.833 4.625 1.00 74.93 H ATOM 1752 H2' DC C 3 -17.945 3.700 4.568 1.00 72.63 H ATOM 1753 H2'' DC C 3 -18.958 4.330 5.634 1.00 72.63 H ATOM 1754 H1' DC C 3 -20.502 4.800 4.017 1.00 67.70 H ATOM 1755 H41 DC C 3 -21.185 -1.553 2.910 1.00 59.43 H ATOM 1756 H42 DC C 3 -22.519 -0.969 2.600 1.00 59.43 H ATOM 1757 H5 DC C 3 -19.277 -0.194 3.512 1.00 61.60 H ATOM 1758 H6 DC C 3 -18.533 1.925 3.868 1.00 63.71 H ATOM 1759 P DA C 4 -18.193 7.726 6.128 1.00 78.64 P ANISOU 1759 P DA C 4 11183 8807 9889 -1985 1643 -30 P ATOM 1760 OP1 DA C 4 -17.427 8.767 5.407 1.00 80.70 O ANISOU 1760 OP1 DA C 4 11557 8850 10255 -2130 1913 8 O ATOM 1761 OP2 DA C 4 -17.519 6.871 7.130 1.00 79.36 O ANISOU 1761 OP2 DA C 4 11071 9092 9989 -2150 1407 -247 O ATOM 1762 O5' DA C 4 -19.457 8.403 6.829 1.00 77.16 O ANISOU 1762 O5' DA C 4 11221 8443 9652 -1824 1710 15 O ATOM 1763 C5' DA C 4 -20.568 8.807 6.035 1.00 77.16 C ANISOU 1763 C5' DA C 4 11378 8365 9575 -1542 1841 245 C ATOM 1764 C4' DA C 4 -21.836 8.080 6.452 1.00 74.27 C ANISOU 1764 C4' DA C 4 10963 8163 9093 -1302 1663 304 C ATOM 1765 O4' DA C 4 -21.784 6.707 6.020 1.00 67.84 O ANISOU 1765 O4' DA C 4 9897 7649 8228 -1242 1436 322 O ATOM 1766 C3' DA C 4 -22.073 8.006 7.956 1.00 75.15 C ANISOU 1766 C3' DA C 4 11087 8263 9205 -1376 1550 139 C ATOM 1767 O3' DA C 4 -22.908 9.077 8.380 1.00 78.22 O ANISOU 1767 O3' DA C 4 11729 8421 9571 -1264 1719 190 O ATOM 1768 C2' DA C 4 -22.727 6.630 8.171 1.00 71.70 C ANISOU 1768 C2' DA C 4 10444 8114 8684 -1234 1293 163 C ATOM 1769 C1' DA C 4 -22.716 5.982 6.785 1.00 66.67 C ANISOU 1769 C1' DA C 4 9680 7639 8014 -1118 1258 307 C ATOM 1770 N9 DA C 4 -22.336 4.572 6.794 1.00 59.70 N ANISOU 1770 N9 DA C 4 8548 7021 7116 -1159 1015 241 N ATOM 1771 C8 DA C 4 -21.133 4.043 7.167 1.00 59.44 C ANISOU 1771 C8 DA C 4 8374 7077 7134 -1377 909 81 C ATOM 1772 N7 DA C 4 -21.076 2.735 7.074 1.00 56.60 N ANISOU 1772 N7 DA C 4 7818 6952 6735 -1339 701 65 N ATOM 1773 C5 DA C 4 -22.331 2.380 6.611 1.00 54.66 C ANISOU 1773 C5 DA C 4 7575 6772 6421 -1102 665 214 C ATOM 1774 C6 DA C 4 -22.913 1.134 6.303 1.00 50.66 C ANISOU 1774 C6 DA C 4 6911 6474 5862 -970 483 262 C ATOM 1775 N6 DA C 4 -22.267 -0.031 6.427 1.00 49.44 N ANISOU 1775 N6 DA C 4 6584 6491 5710 -1049 304 174 N ATOM 1776 N1 DA C 4 -24.188 1.133 5.865 1.00 50.45 N ANISOU 1776 N1 DA C 4 6912 6474 5782 -752 494 398 N ATOM 1777 C2 DA C 4 -24.831 2.301 5.743 1.00 52.35 C ANISOU 1777 C2 DA C 4 7334 6552 6005 -647 678 494 C ATOM 1778 N3 DA C 4 -24.390 3.532 6.000 1.00 53.89 N ANISOU 1778 N3 DA C 4 7713 6524 6240 -739 871 473 N ATOM 1779 C4 DA C 4 -23.122 3.501 6.434 1.00 56.02 C ANISOU 1779 C4 DA C 4 7943 6764 6580 -981 852 324 C ATOM 1780 H5' DA C 4 -20.382 8.612 5.104 1.00 92.47 H ATOM 1781 H5'' DA C 4 -20.701 9.762 6.139 1.00 92.47 H ATOM 1782 H4' DA C 4 -22.598 8.512 6.035 1.00 89.00 H ATOM 1783 H3' DA C 4 -21.225 8.044 8.425 1.00 90.06 H ATOM 1784 H2' DA C 4 -22.207 6.102 8.796 1.00 85.91 H ATOM 1785 H2'' DA C 4 -23.637 6.733 8.488 1.00 85.91 H ATOM 1786 H1' DA C 4 -23.595 6.072 6.385 1.00 79.88 H ATOM 1787 H8 DA C 4 -20.418 4.563 7.456 1.00 71.21 H ATOM 1788 H61 DA C 4 -22.665 -0.767 6.228 1.00 59.20 H ATOM 1789 H62 DA C 4 -21.453 -0.044 6.705 1.00 59.20 H ATOM 1790 H2 DA C 4 -25.707 2.246 5.436 1.00 62.69 H ATOM 1791 P DC C 5 -23.431 9.142 9.897 1.00 81.46 P ANISOU 1791 P DC C 5 12200 8801 9951 -1263 1633 58 P ATOM 1792 OP1 DC C 5 -23.731 10.556 10.211 1.00 82.88 O ANISOU 1792 OP1 DC C 5 12679 8663 10150 -1247 1871 62 O ATOM 1793 OP2 DC C 5 -22.477 8.384 10.737 1.00 78.13 O ANISOU 1793 OP2 DC C 5 11591 8526 9569 -1488 1437 -160 O ATOM 1794 O5' DC C 5 -24.800 8.321 9.861 1.00 74.25 O ANISOU 1794 O5' DC C 5 11197 8094 8921 -972 1501 209 O ATOM 1795 C5' DC C 5 -25.753 8.563 8.830 1.00 66.70 C ANISOU 1795 C5' DC C 5 10307 7140 7896 -711 1605 432 C ATOM 1796 C4' DC C 5 -27.002 7.740 9.063 1.00 58.68 C ANISOU 1796 C4' DC C 5 9171 6336 6787 -484 1455 520 C ATOM 1797 O4' DC C 5 -26.757 6.369 8.643 1.00 56.66 O ANISOU 1797 O4' DC C 5 8646 6349 6533 -515 1239 509 O ATOM 1798 C3' DC C 5 -27.442 7.675 10.524 1.00 58.58 C ANISOU 1798 C3' DC C 5 9187 6315 6754 -493 1384 415 C ATOM 1799 O3' DC C 5 -28.842 7.880 10.647 1.00 58.57 O ANISOU 1799 O3' DC C 5 9251 6337 6664 -225 1428 555 O ATOM 1800 C2' DC C 5 -27.014 6.282 10.975 1.00 56.40 C ANISOU 1800 C2' DC C 5 8656 6278 6496 -610 1136 309 C ATOM 1801 C1' DC C 5 -27.068 5.473 9.689 1.00 55.25 C ANISOU 1801 C1' DC C 5 8336 6314 6341 -536 1056 423 C ATOM 1802 N1 DC C 5 -26.097 4.332 9.651 1.00 53.82 N ANISOU 1802 N1 DC C 5 7941 6304 6203 -708 871 314 N ATOM 1803 C2 DC C 5 -26.558 3.031 9.412 1.00 52.06 C ANISOU 1803 C2 DC C 5 7513 6316 5954 -625 688 357 C ATOM 1804 O2 DC C 5 -27.766 2.841 9.233 1.00 51.76 O ANISOU 1804 O2 DC C 5 7450 6350 5865 -427 676 476 O ATOM 1805 N3 DC C 5 -25.664 2.012 9.384 1.00 51.74 N ANISOU 1805 N3 DC C 5 7302 6415 5943 -764 532 261 N ATOM 1806 C4 DC C 5 -24.368 2.255 9.581 1.00 51.47 C ANISOU 1806 C4 DC C 5 7277 6322 5956 -970 547 128 C ATOM 1807 N4 DC C 5 -23.524 1.219 9.543 1.00 50.41 N ANISOU 1807 N4 DC C 5 6971 6348 5836 -1077 391 43 N ATOM 1808 C5 DC C 5 -23.880 3.571 9.827 1.00 53.30 C ANISOU 1808 C5 DC C 5 7694 6331 6228 -1077 726 72 C ATOM 1809 C6 DC C 5 -24.769 4.568 9.853 1.00 54.43 C ANISOU 1809 C6 DC C 5 8025 6308 6346 -944 886 167 C ATOM 1810 H5' DC C 5 -25.366 8.323 7.973 1.00 79.92 H ATOM 1811 H5'' DC C 5 -25.986 9.505 8.824 1.00 79.92 H ATOM 1812 H4' DC C 5 -27.726 8.108 8.532 1.00 70.29 H ATOM 1813 H3' DC C 5 -26.966 8.346 11.038 1.00 70.17 H ATOM 1814 H2' DC C 5 -26.113 6.301 11.333 1.00 67.56 H ATOM 1815 H2'' DC C 5 -27.636 5.927 11.628 1.00 67.56 H ATOM 1816 H1' DC C 5 -27.968 5.135 9.562 1.00 66.17 H ATOM 1817 H41 DC C 5 -22.682 1.345 9.667 1.00 60.37 H ATOM 1818 H42 DC C 5 -23.823 0.426 9.395 1.00 60.37 H ATOM 1819 H5 DC C 5 -22.974 3.731 9.963 1.00 63.84 H ATOM 1820 H6 DC C 5 -24.478 5.437 10.011 1.00 65.19 H ATOM 1821 P DG C 6 -29.489 8.105 12.099 1.00 58.86 P ANISOU 1821 P DG C 6 9380 6326 6659 -171 1420 489 P ATOM 1822 OP1 DG C 6 -30.825 8.714 11.912 1.00 59.75 O ANISOU 1822 OP1 DG C 6 9616 6407 6681 121 1546 662 O ATOM 1823 OP2 DG C 6 -28.477 8.784 12.939 1.00 60.09 O ANISOU 1823 OP2 DG C 6 9680 6278 6873 -398 1477 295 O ATOM 1824 O5' DG C 6 -29.678 6.623 12.662 1.00 56.69 O ANISOU 1824 O5' DG C 6 8838 6324 6378 -194 1176 445 O ATOM 1825 C5' DG C 6 -30.476 5.700 11.945 1.00 55.39 C ANISOU 1825 C5' DG C 6 8477 6383 6185 -45 1073 578 C ATOM 1826 C4' DG C 6 -30.395 4.313 12.554 1.00 53.61 C ANISOU 1826 C4' DG C 6 8026 6363 5979 -125 862 507 C ATOM 1827 O4' DG C 6 -29.118 3.696 12.221 1.00 52.78 O ANISOU 1827 O4' DG C 6 7811 6308 5937 -336 756 396 O ATOM 1828 C3' DG C 6 -30.489 4.263 14.087 1.00 53.70 C ANISOU 1828 C3' DG C 6 8085 6348 5969 -156 832 407 C ATOM 1829 O3' DG C 6 -31.455 3.308 14.479 1.00 52.69 O ANISOU 1829 O3' DG C 6 7803 6401 5818 -38 733 481 O ATOM 1830 C2' DG C 6 -29.082 3.857 14.514 1.00 53.25 C ANISOU 1830 C2' DG C 6 7978 6292 5962 -401 731 222 C ATOM 1831 C1' DG C 6 -28.678 2.984 13.349 1.00 52.03 C ANISOU 1831 C1' DG C 6 7639 6281 5850 -452 630 264 C ATOM 1832 N9 DG C 6 -27.249 2.711 13.242 1.00 51.79 N ANISOU 1832 N9 DG C 6 7550 6259 5869 -670 560 122 N ATOM 1833 C8 DG C 6 -26.207 3.589 13.420 1.00 53.07 C ANISOU 1833 C8 DG C 6 7832 6264 6067 -838 644 -7 C ATOM 1834 N7 DG C 6 -25.034 3.038 13.257 1.00 52.60 N ANISOU 1834 N7 DG C 6 7651 6288 6047 -1013 546 -119 N ATOM 1835 C5 DG C 6 -25.321 1.713 12.951 1.00 50.87 C ANISOU 1835 C5 DG C 6 7239 6277 5811 -944 390 -55 C ATOM 1836 C6 DG C 6 -24.456 0.628 12.669 1.00 49.77 C ANISOU 1836 C6 DG C 6 6921 6301 5688 -1043 240 -118 C ATOM 1837 O6 DG C 6 -23.218 0.623 12.631 1.00 50.09 O ANISOU 1837 O6 DG C 6 6917 6359 5757 -1210 210 -243 O ATOM 1838 N1 DG C 6 -25.166 -0.544 12.414 1.00 48.33 N ANISOU 1838 N1 DG C 6 6600 6278 5487 -926 123 -25 N ATOM 1839 C2 DG C 6 -26.537 -0.651 12.428 1.00 48.07 C ANISOU 1839 C2 DG C 6 6573 6259 5431 -752 144 106 C ATOM 1840 N2 DG C 6 -27.046 -1.860 12.157 1.00 46.88 N ANISOU 1840 N2 DG C 6 6266 6261 5283 -686 22 165 N ATOM 1841 N3 DG C 6 -27.354 0.356 12.690 1.00 49.07 N ANISOU 1841 N3 DG C 6 6848 6260 5536 -650 280 170 N ATOM 1842 C4 DG C 6 -26.679 1.501 12.941 1.00 50.40 C ANISOU 1842 C4 DG C 6 7178 6258 5714 -747 398 86 C ATOM 1843 H5' DG C 6 -30.169 5.662 11.026 1.00 66.34 H ATOM 1844 H5'' DG C 6 -31.398 6.000 11.959 1.00 66.34 H ATOM 1845 H4' DG C 6 -31.108 3.770 12.182 1.00 64.21 H ATOM 1846 H3' DG C 6 -30.712 5.138 14.441 1.00 64.31 H ATOM 1847 H2' DG C 6 -28.503 4.632 14.588 1.00 63.77 H ATOM 1848 H2'' DG C 6 -29.101 3.350 15.340 1.00 63.77 H ATOM 1849 H1' DG C 6 -29.159 2.143 13.401 1.00 62.31 H ATOM 1850 H8 DG C 6 -26.325 4.486 13.635 1.00 63.55 H ATOM 1851 H1 DG C 6 -24.713 -1.252 12.233 1.00 57.87 H ATOM 1852 H21 DG C 6 -27.887 -2.006 12.264 1.00 56.13 H ATOM 1853 H22 DG C 6 -26.533 -2.489 11.876 1.00 56.13 H ATOM 1854 P DC C 7 -32.401 3.563 15.747 1.00 54.51 P ANISOU 1854 P DC C 7 8114 6613 5984 101 785 506 P ATOM 1855 OP1 DC C 7 -33.531 4.403 15.297 1.00 55.10 O ANISOU 1855 OP1 DC C 7 8287 6643 6006 324 928 657 O ATOM 1856 OP2 DC C 7 -31.550 4.013 16.871 1.00 54.39 O ANISOU 1856 OP2 DC C 7 8240 6470 5956 -25 797 337 O ATOM 1857 O5' DC C 7 -32.951 2.103 16.090 1.00 51.92 O ANISOU 1857 O5' DC C 7 7548 6507 5673 126 637 548 O ATOM 1858 C5' DC C 7 -33.384 1.246 15.038 1.00 50.99 C ANISOU 1858 C5' DC C 7 7230 6549 5597 157 553 640 C ATOM 1859 C4' DC C 7 -32.839 -0.159 15.219 1.00 49.58 C ANISOU 1859 C4' DC C 7 6867 6499 5471 21 387 573 C ATOM 1860 O4' DC C 7 -31.422 -0.169 14.919 1.00 49.19 O ANISOU 1860 O4' DC C 7 6844 6397 5447 -159 333 446 O ATOM 1861 C3' DC C 7 -32.978 -0.721 16.638 1.00 50.11 C ANISOU 1861 C3' DC C 7 6923 6597 5519 18 354 534 C ATOM 1862 O3' DC C 7 -33.856 -1.839 16.646 1.00 51.77 O ANISOU 1862 O3' DC C 7 6945 6958 5767 74 291 625 O ATOM 1863 C2' DC C 7 -31.551 -1.100 17.053 1.00 48.89 C ANISOU 1863 C2' DC C 7 6781 6423 5372 -162 263 375 C ATOM 1864 C1' DC C 7 -30.788 -1.117 15.739 1.00 48.41 C ANISOU 1864 C1' DC C 7 6669 6365 5358 -264 220 350 C ATOM 1865 N1 DC C 7 -29.345 -0.750 15.872 1.00 48.60 N ANISOU 1865 N1 DC C 7 6768 6315 5383 -432 200 194 N ATOM 1866 C2 DC C 7 -28.356 -1.709 15.619 1.00 47.65 C ANISOU 1866 C2 DC C 7 6521 6293 5290 -559 68 114 C ATOM 1867 O2 DC C 7 -28.691 -2.851 15.286 1.00 46.64 O ANISOU 1867 O2 DC C 7 6242 6292 5189 -532 -27 172 O ATOM 1868 N3 DC C 7 -27.053 -1.356 15.745 1.00 48.03 N ANISOU 1868 N3 DC C 7 6613 6297 5338 -710 52 -33 N ATOM 1869 C4 DC C 7 -26.731 -0.113 16.106 1.00 49.36 C ANISOU 1869 C4 DC C 7 6946 6314 5494 -757 161 -109 C ATOM 1870 N4 DC C 7 -25.435 0.190 16.218 1.00 49.92 N ANISOU 1870 N4 DC C 7 7032 6355 5578 -927 140 -267 N ATOM 1871 C5 DC C 7 -27.723 0.875 16.369 1.00 50.35 C ANISOU 1871 C5 DC C 7 7226 6311 5593 -630 301 -31 C ATOM 1872 C6 DC C 7 -29.004 0.516 16.241 1.00 49.89 C ANISOU 1872 C6 DC C 7 7120 6316 5522 -461 315 124 C ATOM 1873 H5' DC C 7 -33.075 1.600 14.190 1.00 61.07 H ATOM 1874 H5'' DC C 7 -34.353 1.213 15.034 1.00 61.07 H ATOM 1875 H4' DC C 7 -33.294 -0.753 14.601 1.00 59.37 H ATOM 1876 H3' DC C 7 -33.319 -0.033 17.230 1.00 60.00 H ATOM 1877 H2' DC C 7 -31.183 -0.433 17.653 1.00 58.54 H ATOM 1878 H2'' DC C 7 -31.537 -1.977 17.466 1.00 58.54 H ATOM 1879 H1' DC C 7 -30.864 -1.994 15.334 1.00 57.96 H ATOM 1880 H41 DC C 7 -25.197 0.984 16.449 1.00 59.77 H ATOM 1881 H42 DC C 7 -24.838 -0.408 16.059 1.00 59.77 H ATOM 1882 H5 DC C 7 -27.488 1.739 16.620 1.00 60.29 H ATOM 1883 H6 DC C 7 -29.673 1.141 16.406 1.00 59.75 H ATOM 1884 P DC C 8 -34.291 -2.509 18.038 1.00 61.32 P ANISOU 1884 P DC C 8 8127 8212 6958 114 289 638 P ATOM 1885 OP1 DC C 8 -35.558 -3.239 17.813 1.00 61.98 O ANISOU 1885 OP1 DC C 8 8036 8422 7094 203 288 771 O ATOM 1886 OP2 DC C 8 -34.215 -1.464 19.083 1.00 61.91 O ANISOU 1886 OP2 DC C 8 8406 8170 6946 179 392 595 O ATOM 1887 O5' DC C 8 -33.152 -3.595 18.311 1.00 55.83 O ANISOU 1887 O5' DC C 8 7365 7558 6289 -41 158 529 O ATOM 1888 C5' DC C 8 -33.026 -4.719 17.456 1.00 48.93 C ANISOU 1888 C5' DC C 8 6319 6780 5493 -117 48 543 C ATOM 1889 C4' DC C 8 -31.875 -5.601 17.894 1.00 53.05 C ANISOU 1889 C4' DC C 8 6821 7325 6010 -232 -56 436 C ATOM 1890 O4' DC C 8 -30.630 -4.890 17.703 1.00 53.82 O ANISOU 1890 O4' DC C 8 7019 7360 6070 -328 -75 308 O ATOM 1891 C3' DC C 8 -31.912 -6.012 19.369 1.00 50.98 C ANISOU 1891 C3' DC C 8 6607 7070 5694 -184 -35 427 C ATOM 1892 O3' DC C 8 -32.081 -7.420 19.485 1.00 55.24 O ANISOU 1892 O3' DC C 8 7018 7685 6284 -200 -95 472 O ATOM 1893 C2' DC C 8 -30.573 -5.534 19.946 1.00 49.73 C ANISOU 1893 C2' DC C 8 6569 6870 5456 -255 -69 268 C ATOM 1894 C1' DC C 8 -29.728 -5.254 18.714 1.00 52.04 C ANISOU 1894 C1' DC C 8 6834 7149 5790 -376 -126 200 C ATOM 1895 N1 DC C 8 -28.740 -4.146 18.890 1.00 51.87 N ANISOU 1895 N1 DC C 8 6944 7044 5721 -453 -101 62 N ATOM 1896 C2 DC C 8 -27.371 -4.434 18.934 1.00 55.69 C ANISOU 1896 C2 DC C 8 7403 7571 6184 -575 -195 -81 C ATOM 1897 O2 DC C 8 -26.996 -5.609 18.833 1.00 55.73 O ANISOU 1897 O2 DC C 8 7296 7680 6199 -597 -295 -83 O ATOM 1898 N3 DC C 8 -26.491 -3.414 19.088 1.00 57.75 N ANISOU 1898 N3 DC C 8 7764 7758 6419 -668 -168 -219 N ATOM 1899 C4 DC C 8 -26.933 -2.161 19.194 1.00 55.57 C ANISOU 1899 C4 DC C 8 7632 7346 6137 -640 -47 -214 C ATOM 1900 N4 DC C 8 -26.028 -1.190 19.345 1.00 57.99 N ANISOU 1900 N4 DC C 8 8038 7562 6434 -755 -15 -364 N ATOM 1901 C5 DC C 8 -28.323 -1.848 19.150 1.00 52.79 C ANISOU 1901 C5 DC C 8 7325 6944 5790 -491 52 -59 C ATOM 1902 C6 DC C 8 -29.181 -2.861 18.996 1.00 51.77 C ANISOU 1902 C6 DC C 8 7070 6914 5686 -404 17 73 C ATOM 1903 H5' DC C 8 -32.867 -4.414 16.549 1.00 58.59 H ATOM 1904 H5'' DC C 8 -33.849 -5.232 17.480 1.00 58.59 H ATOM 1905 H4' DC C 8 -31.867 -6.401 17.346 1.00 63.53 H ATOM 1906 H3' DC C 8 -32.642 -5.556 19.817 1.00 61.05 H ATOM 1907 H2' DC C 8 -30.696 -4.725 20.466 1.00 59.55 H ATOM 1908 H2'' DC C 8 -30.167 -6.230 20.486 1.00 59.55 H ATOM 1909 H1' DC C 8 -29.263 -6.064 18.452 1.00 62.32 H ATOM 1910 H41 DC C 8 -26.282 -0.370 19.395 1.00 69.46 H ATOM 1911 H42 DC C 8 -25.192 -1.385 19.393 1.00 69.46 H ATOM 1912 H5 DC C 8 -28.622 -0.970 19.224 1.00 63.23 H ATOM 1913 H6 DC C 8 -30.094 -2.686 18.963 1.00 62.00 H ATOM 1914 P DT C 9 -32.446 -8.080 20.903 1.00 63.19 P ANISOU 1914 P DT C 9 8049 8711 7251 -115 -46 522 P ATOM 1915 OP1 DT C 9 -33.059 -9.399 20.633 1.00 65.58 O ANISOU 1915 OP1 DT C 9 8202 9063 7653 -133 -66 615 O ATOM 1916 OP2 DT C 9 -33.183 -7.078 21.703 1.00 64.74 O ANISOU 1916 OP2 DT C 9 8352 8864 7381 9 75 569 O ATOM 1917 O5' DT C 9 -31.022 -8.315 21.585 1.00 58.26 O ANISOU 1917 O5' DT C 9 7505 8097 6533 -159 -122 381 O ATOM 1918 C5' DT C 9 -30.054 -9.110 20.923 1.00 53.04 C ANISOU 1918 C5' DT C 9 6773 7480 5901 -263 -240 310 C ATOM 1919 C4' DT C 9 -28.704 -9.012 21.607 1.00 51.44 C ANISOU 1919 C4' DT C 9 6649 7308 5587 -286 -304 161 C ATOM 1920 O4' DT C 9 -28.134 -7.711 21.368 1.00 48.01 O ANISOU 1920 O4' DT C 9 6294 6827 5120 -348 -298 49 O ATOM 1921 C3' DT C 9 -28.736 -9.174 23.128 1.00 50.81 C ANISOU 1921 C3' DT C 9 6658 7251 5394 -163 -260 158 C ATOM 1922 O3' DT C 9 -28.230 -10.453 23.496 1.00 50.78 O ANISOU 1922 O3' DT C 9 6616 7318 5361 -135 -317 162 O ATOM 1923 C2' DT C 9 -27.865 -8.021 23.662 1.00 48.96 C ANISOU 1923 C2' DT C 9 6540 7009 5055 -182 -277 -9 C ATOM 1924 C1' DT C 9 -27.236 -7.431 22.407 1.00 48.97 C ANISOU 1924 C1' DT C 9 6501 6979 5126 -335 -327 -87 C ATOM 1925 N1 DT C 9 -27.011 -5.953 22.460 1.00 50.41 N ANISOU 1925 N1 DT C 9 6797 7074 5283 -379 -276 -187 N ATOM 1926 C2 DT C 9 -25.726 -5.469 22.383 1.00 53.40 C ANISOU 1926 C2 DT C 9 7191 7469 5628 -499 -341 -367 C ATOM 1927 O2 DT C 9 -24.747 -6.185 22.283 1.00 54.30 O ANISOU 1927 O2 DT C 9 7223 7687 5721 -555 -445 -446 O ATOM 1928 N3 DT C 9 -25.624 -4.105 22.430 1.00 53.68 N ANISOU 1928 N3 DT C 9 7343 7394 5660 -550 -272 -453 N ATOM 1929 C4 DT C 9 -26.656 -3.194 22.540 1.00 50.76 C ANISOU 1929 C4 DT C 9 7087 6900 5300 -473 -148 -372 C ATOM 1930 O4 DT C 9 -26.461 -1.983 22.574 1.00 52.00 O ANISOU 1930 O4 DT C 9 7366 6940 5453 -523 -82 -461 O ATOM 1931 C5 DT C 9 -27.979 -3.766 22.613 1.00 49.72 C ANISOU 1931 C5 DT C 9 6920 6783 5188 -329 -92 -179 C ATOM 1932 C7 DT C 9 -29.177 -2.873 22.736 1.00 51.23 C ANISOU 1932 C7 DT C 9 7214 6872 5379 -215 43 -74 C ATOM 1933 C6 DT C 9 -28.093 -5.103 22.567 1.00 49.10 C ANISOU 1933 C6 DT C 9 6714 6812 5130 -302 -158 -100 C ATOM 1934 H5' DT C 9 -29.968 -8.808 20.005 1.00 63.53 H ATOM 1935 H5'' DT C 9 -30.346 -10.035 20.927 1.00 63.53 H ATOM 1936 H4' DT C 9 -28.114 -9.685 21.233 1.00 61.60 H ATOM 1937 H3' DT C 9 -29.645 -9.075 23.450 1.00 60.84 H ATOM 1938 H2' DT C 9 -28.414 -7.360 24.112 1.00 58.63 H ATOM 1939 H2'' DT C 9 -27.180 -8.360 24.258 1.00 58.63 H ATOM 1940 H1' DT C 9 -26.394 -7.879 22.231 1.00 58.64 H ATOM 1941 H3 DT C 9 -24.829 -3.779 22.386 1.00 64.29 H ATOM 1942 H71 DT C 9 -29.766 -3.016 21.978 1.00 61.35 H ATOM 1943 H72 DT C 9 -29.651 -3.079 23.557 1.00 61.35 H ATOM 1944 H73 DT C 9 -28.890 -1.947 22.753 1.00 61.35 H ATOM 1945 H6 DT C 9 -28.944 -5.475 22.613 1.00 58.79 H ATOM 1946 P DC C 10 -28.260 -10.931 25.028 1.00 54.34 P ANISOU 1946 P DC C 10 7151 7810 5685 25 -268 188 P ATOM 1947 OP1 DC C 10 -28.162 -12.407 25.029 1.00 53.97 O ANISOU 1947 OP1 DC C 10 7047 7795 5664 52 -288 264 O ATOM 1948 OP2 DC C 10 -29.398 -10.265 25.701 1.00 58.18 O ANISOU 1948 OP2 DC C 10 7703 8244 6160 128 -140 282 O ATOM 1949 O5' DC C 10 -26.905 -10.344 25.633 1.00 57.65 O ANISOU 1949 O5' DC C 10 7645 8306 5954 26 -356 -15 O ATOM 1950 C5' DC C 10 -25.657 -10.793 25.129 1.00 52.38 C ANISOU 1950 C5' DC C 10 6916 7719 5266 -59 -481 -132 C ATOM 1951 C4' DC C 10 -24.508 -10.028 25.759 1.00 56.41 C ANISOU 1951 C4' DC C 10 7480 8311 5642 -68 -554 -339 C ATOM 1952 O4' DC C 10 -24.392 -8.730 25.143 1.00 58.34 O ANISOU 1952 O4' DC C 10 7740 8479 5946 -207 -546 -431 O ATOM 1953 C3' DC C 10 -24.664 -9.731 27.240 1.00 55.63 C ANISOU 1953 C3' DC C 10 7496 8250 5390 96 -510 -374 C ATOM 1954 O3' DC C 10 -24.208 -10.824 28.029 1.00 57.63 O ANISOU 1954 O3' DC C 10 7752 8623 5520 242 -547 -361 O ATOM 1955 C2' DC C 10 -23.813 -8.474 27.436 1.00 58.79 C ANISOU 1955 C2' DC C 10 7941 8671 5727 8 -567 -598 C ATOM 1956 C1' DC C 10 -23.731 -7.852 26.034 1.00 59.68 C ANISOU 1956 C1' DC C 10 7991 8686 5997 -196 -571 -612 C ATOM 1957 N1 DC C 10 -24.368 -6.505 25.938 1.00 59.92 N ANISOU 1957 N1 DC C 10 8118 8574 6077 -241 -477 -622 N ATOM 1958 C2 DC C 10 -23.574 -5.373 25.720 1.00 58.63 C ANISOU 1958 C2 DC C 10 7988 8370 5920 -385 -500 -807 C ATOM 1959 O2 DC C 10 -22.350 -5.505 25.605 1.00 58.99 O ANISOU 1959 O2 DC C 10 7959 8518 5934 -483 -605 -964 O ATOM 1960 N3 DC C 10 -24.171 -4.160 25.638 1.00 57.26 N ANISOU 1960 N3 DC C 10 7928 8042 5788 -412 -399 -807 N ATOM 1961 C4 DC C 10 -25.494 -4.056 25.767 1.00 56.99 C ANISOU 1961 C4 DC C 10 7958 7922 5775 -288 -288 -633 C ATOM 1962 N4 DC C 10 -26.036 -2.838 25.680 1.00 55.98 N ANISOU 1962 N4 DC C 10 7952 7646 5674 -296 -184 -636 N ATOM 1963 C5 DC C 10 -26.319 -5.197 25.992 1.00 58.37 C ANISOU 1963 C5 DC C 10 8074 8158 5948 -150 -268 -448 C ATOM 1964 C6 DC C 10 -25.720 -6.389 26.071 1.00 59.37 C ANISOU 1964 C6 DC C 10 8102 8410 6045 -139 -359 -449 C ATOM 1965 H5' DC C 10 -25.637 -10.663 24.168 1.00 62.73 H ATOM 1966 H5'' DC C 10 -25.556 -11.738 25.325 1.00 62.73 H ATOM 1967 H4' DC C 10 -23.684 -10.520 25.619 1.00 67.57 H ATOM 1968 H3' DC C 10 -25.592 -9.537 27.444 1.00 66.63 H ATOM 1969 HO3' DC C 10 -23.580 -10.714 28.575 1.00 69.03 H ATOM 1970 H2' DC C 10 -24.246 -7.864 28.053 1.00 70.43 H ATOM 1971 H2'' DC C 10 -22.928 -8.710 27.755 1.00 70.43 H ATOM 1972 H1' DC C 10 -22.800 -7.782 25.774 1.00 71.49 H ATOM 1973 H41 DC C 10 -26.887 -2.739 25.759 1.00 67.06 H ATOM 1974 H42 DC C 10 -25.534 -2.153 25.545 1.00 67.06 H ATOM 1975 H5 DC C 10 -27.241 -5.115 26.081 1.00 69.92 H ATOM 1976 H6 DC C 10 -26.233 -7.151 26.217 1.00 71.12 H TER 1977 DC C 10 HETATM 1978 ZN ZN A 501 -24.018 16.059 26.040 1.00 63.87 ZN HETATM 1979 ZN ZN A 502 -5.038 -1.831 13.995 1.00 70.74 ZN HETATM 1980 ZN ZN A 503 -24.997 -17.642 4.871 1.00 63.63 ZN HETATM 1981 O HOH A 601 -29.573 -15.470 -5.008 1.00 35.91 O HETATM 1982 O HOH B 101 -25.123 -7.847 6.764 1.00 49.47 O HETATM 1983 O HOH B 102 -21.941 -3.689 5.040 1.00 52.44 O HETATM 1984 O HOH C 101 -30.448 -3.971 13.559 1.00 56.75 O HETATM 1985 O HOH C 102 -20.702 1.867 11.893 1.00 55.25 O CONECT 36 1980 CONECT 96 1980 CONECT 300 1980 CONECT 374 1980 CONECT 497 1979 CONECT 562 1979 CONECT 775 1979 CONECT 859 1979 CONECT 985 1978 CONECT 1034 1978 CONECT 1237 1978 CONECT 1317 1978 CONECT 1978 985 1034 1237 1317 CONECT 1979 497 562 775 859 CONECT 1980 36 96 300 374 MASTER 337 0 3 3 4 0 3 6 1111 3 15 10 END
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Related entries of code: 5keb
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
88aa, >4M9E_1|Chain... at 100%
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PDBbind
93aa, >5KE6_1|Chain... *
5ke8
RCSB PDB
PDBbind
93aa, >5KE8_1|Chain... at 98%
5ke9
RCSB PDB
PDBbind
93aa, >5KE9_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
5keb
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
mouse Krueppel-like factor 4, Klf4 ZnF (E446D mutant)
Ligand Name
10-mer WT-TpG DNA, sequence is C/G
EC.Number
E.C.-.-.-.-
Resolution
2.45(Å)
Affinity (Kd/Ki/IC50)
Kd=0.22uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nucleic Acids Res. Vol. 44: pp. 10177-10185
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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