Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 09-JUN-16 5KE8 TITLE MOUSE KLF4 E446P ZNF1-3 AND MPG/MPG SEQUENCE DNA COMPLEX STRUCTURE 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*(5CM)P*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*(5CM)P*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 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 13 ORGANISM_TAXID: 32630; SOURCE 14 MOL_ID: 3; SOURCE 15 SYNTHETIC: YES; SOURCE 16 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 17 ORGANISM_TAXID: 32630 KEYWDS KLF4, ZINC FINGER, KRUPPEL-LIKE FACTORS, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR H.HASHIMOTO,X.CHENG REVDAT 5 25-DEC-19 5KE8 1 REMARK REVDAT 4 20-SEP-17 5KE8 1 REMARK REVDAT 3 14-DEC-16 5KE8 1 JRNL REVDAT 2 21-SEP-16 5KE8 1 JRNL REVDAT 1 14-SEP-16 5KE8 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.67 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380 REMARK 3 COMPLETENESS FOR RANGE (%) : 71.5 REMARK 3 NUMBER OF REFLECTIONS : 4788 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.233 REMARK 3 R VALUE (WORKING SET) : 0.229 REMARK 3 FREE R VALUE : 0.270 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.590 REMARK 3 FREE R VALUE TEST SET COUNT : 459 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 35.6740 - 3.5334 1.00 2115 234 0.1981 0.2328 REMARK 3 2 3.5334 - 2.8049 0.92 1812 184 0.2780 0.3474 REMARK 3 3 2.8049 - 2.4504 0.21 402 41 0.4208 0.4227 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL 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) : 0.340 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 30.130 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 : 0.005 1196 REMARK 3 ANGLE : 0.698 1678 REMARK 3 CHIRALITY : 0.035 168 REMARK 3 PLANARITY : 0.003 145 REMARK 3 DIHEDRAL : 29.899 458 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 399 THROUGH 430 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.9349 -11.9189 1.3617 REMARK 3 T TENSOR REMARK 3 T11: 0.4409 T22: 0.4853 REMARK 3 T33: 0.4503 T12: -0.0940 REMARK 3 T13: 0.0572 T23: 0.0172 REMARK 3 L TENSOR REMARK 3 L11: 8.0888 L22: 5.8272 REMARK 3 L33: 5.6736 L12: 0.0533 REMARK 3 L13: -1.4128 L23: -0.4612 REMARK 3 S TENSOR REMARK 3 S11: -0.1050 S12: 0.3494 S13: 0.9336 REMARK 3 S21: -0.4588 S22: 0.3856 S23: -0.1910 REMARK 3 S31: -0.6023 S32: 0.8539 S33: -0.2572 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 431 THROUGH 483 ) REMARK 3 ORIGIN FOR THE GROUP (A): -8.4707 -31.0231 15.3571 REMARK 3 T TENSOR REMARK 3 T11: 0.2690 T22: 0.3143 REMARK 3 T33: 0.3672 T12: -0.0256 REMARK 3 T13: -0.0197 T23: -0.0182 REMARK 3 L TENSOR REMARK 3 L11: 5.9164 L22: 5.8212 REMARK 3 L33: 4.8517 L12: -0.8137 REMARK 3 L13: 1.4665 L23: -2.4563 REMARK 3 S TENSOR REMARK 3 S11: -0.0100 S12: -0.3978 S13: -0.6002 REMARK 3 S21: 0.3961 S22: 0.2225 S23: 0.4459 REMARK 3 S31: -0.0710 S32: 0.1530 S33: -0.1956 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 10 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.1576 -24.3821 8.4514 REMARK 3 T TENSOR REMARK 3 T11: 0.3303 T22: 0.4441 REMARK 3 T33: 0.2490 T12: 0.0580 REMARK 3 T13: -0.0437 T23: 0.0570 REMARK 3 L TENSOR REMARK 3 L11: 3.5833 L22: 3.5407 REMARK 3 L33: 3.6183 L12: 0.8240 REMARK 3 L13: -0.3058 L23: 0.6419 REMARK 3 S TENSOR REMARK 3 S11: 0.4263 S12: 0.0463 S13: 0.3907 REMARK 3 S21: 0.2128 S22: -0.2328 S23: -0.1694 REMARK 3 S31: 0.4712 S32: 0.6916 S33: -0.0010 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 10 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.2319 -25.9079 9.6377 REMARK 3 T TENSOR REMARK 3 T11: 0.3731 T22: 0.6196 REMARK 3 T33: 0.3251 T12: -0.1089 REMARK 3 T13: 0.0168 T23: 0.0190 REMARK 3 L TENSOR REMARK 3 L11: 1.4913 L22: 3.2396 REMARK 3 L33: 5.9995 L12: -0.7183 REMARK 3 L13: 0.7231 L23: 1.1748 REMARK 3 S TENSOR REMARK 3 S11: 0.4371 S12: -0.1139 S13: 0.0216 REMARK 3 S21: 0.0682 S22: 0.0643 S23: -0.1822 REMARK 3 S31: 0.2553 S32: 0.0783 S33: -0.4007 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 5KE8 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_1000222052. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JUN-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-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 : 4805 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 REMARK 200 RESOLUTION RANGE LOW (A) : 35.674 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 71.7 REMARK 200 DATA REDUNDANCY : 3.800 REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.8800 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) : 2.51 REMARK 200 COMPLETENESS FOR SHELL (%) : 4.8 REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 REMARK 200 R MERGE FOR SHELL (I) : 0.20100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 6.310 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 (%): 49.85 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.45 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 65.24500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 25.22500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 25.22500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 97.86750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 25.22500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 25.22500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 32.62250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 25.22500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 25.22500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 97.86750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 25.22500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 25.22500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 32.62250 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 65.24500 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: 4610 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7830 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 428 75.50 -150.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 503 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 402 SG REMARK 620 2 CYS A 407 SG 111.3 REMARK 620 3 HIS A 420 NE2 110.6 89.6 REMARK 620 4 HIS A 424 NE2 104.5 119.9 120.6 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 116.9 REMARK 620 3 HIS A 450 NE2 126.2 87.1 REMARK 620 4 HIS A 454 NE2 113.8 109.2 99.9 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 116.5 REMARK 620 3 HIS A 478 NE2 114.5 98.1 REMARK 620 4 HIS A 482 NE2 118.1 111.7 94.0 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: 5KEA RELATED DB: PDB REMARK 900 RELATED ID: 5KE9 RELATED DB: PDB REMARK 900 RELATED ID: 5KEB RELATED DB: PDB REMARK 900 RELATED ID: 5K5I RELATED DB: PDB REMARK 900 RELATED ID: 5K5J RELATED DB: PDB REMARK 900 RELATED ID: 5K5L RELATED DB: PDB REMARK 900 RELATED ID: 5K5H RELATED DB: PDB DBREF 5KE8 A 396 483 UNP Q60793 KLF4_MOUSE 396 483 DBREF 5KE8 B 1 10 PDB 5KE8 5KE8 1 10 DBREF 5KE8 C 1 10 PDB 5KE8 5KE8 1 10 SEQADV 5KE8 GLY A 391 UNP Q60793 EXPRESSION TAG SEQADV 5KE8 PRO A 392 UNP Q60793 EXPRESSION TAG SEQADV 5KE8 LEU A 393 UNP Q60793 EXPRESSION TAG SEQADV 5KE8 GLY A 394 UNP Q60793 EXPRESSION TAG SEQADV 5KE8 SER A 395 UNP Q60793 EXPRESSION TAG SEQADV 5KE8 PRO 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 PRO 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 5CM DG DT DG DG DC SEQRES 1 C 10 DG DC DC DA 5CM DG DC DC DT DC HET 5CM B 5 33 HET 5CM C 5 33 HET ZN A 501 1 HET ZN A 502 1 HET ZN A 503 1 HETNAM 5CM 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE HETNAM ZN ZINC ION FORMUL 2 5CM 2(C10 H16 N3 O7 P) FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *9(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 LYS A 480 1 10 HELIX 4 AA4 ARG A 481 PHE A 483 5 3 SHEET 1 AA1 2 HIS A 400 THR A 401 0 SHEET 2 AA1 2 THR A 410 TYR A 411 -1 O TYR A 411 N HIS A 400 SHEET 1 AA2 2 TYR A 430 HIS A 431 0 SHEET 2 AA2 2 LYS A 440 PHE A 441 -1 O PHE A 441 N TYR A 430 SHEET 1 AA3 2 PHE A 460 GLN A 461 0 SHEET 2 AA3 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 2.33 LINK SG CYS A 407 ZN ZN A 503 1555 1555 2.28 LINK NE2 HIS A 420 ZN ZN A 503 1555 1555 2.05 LINK NE2 HIS A 424 ZN ZN A 503 1555 1555 2.04 LINK SG CYS A 432 ZN ZN A 502 1555 1555 2.22 LINK SG CYS A 437 ZN ZN A 502 1555 1555 2.22 LINK NE2 HIS A 450 ZN ZN A 502 1555 1555 2.02 LINK NE2 HIS A 454 ZN ZN A 502 1555 1555 2.04 LINK SG CYS A 462 ZN ZN A 501 1555 1555 2.28 LINK SG CYS A 465 ZN ZN A 501 1555 1555 2.26 LINK NE2 HIS A 478 ZN ZN A 501 1555 1555 2.03 LINK NE2 HIS A 482 ZN ZN A 501 1555 1555 2.03 LINK O3' DG B 4 P 5CM B 5 1555 1555 1.61 LINK O3' 5CM B 5 P DG B 6 1555 1555 1.61 LINK O3' DA C 4 P 5CM C 5 1555 1555 1.61 LINK O3' 5CM C 5 P DG C 6 1555 1555 1.61 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 50.450 50.450 130.490 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 0.019822 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019822 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007663 0.00000 ATOM 1 N THR A 399 11.212 -15.091 -4.016 1.00 72.66 N ANISOU 1 N THR A 399 7120 12416 8070 -1446 2550 -481 N ATOM 2 CA THR A 399 11.310 -13.874 -4.813 1.00 73.24 C ANISOU 2 CA THR A 399 7279 12463 8086 -1886 2733 -217 C ATOM 3 C THR A 399 10.082 -12.996 -4.593 1.00 69.31 C ANISOU 3 C THR A 399 7168 11521 7644 -2038 2457 6 C ATOM 4 O THR A 399 10.173 -11.768 -4.610 1.00 71.16 O ANISOU 4 O THR A 399 7399 11585 8055 -2394 2493 207 O ATOM 5 CB THR A 399 11.440 -14.183 -6.318 1.00 74.07 C ANISOU 5 CB THR A 399 7563 12803 7775 -1925 3091 -121 C ATOM 6 OG1 THR A 399 10.171 -14.600 -6.837 1.00 70.69 O ANISOU 6 OG1 THR A 399 7635 12182 7042 -1785 2917 -57 O ATOM 7 CG2 THR A 399 12.467 -15.280 -6.559 1.00 72.81 C ANISOU 7 CG2 THR A 399 7134 12930 7602 -1604 3309 -380 C ATOM 8 HA THR A 399 12.094 -13.374 -4.537 1.00 88.08 H ATOM 9 HB THR A 399 11.731 -13.385 -6.786 1.00 89.07 H ATOM 10 HG1 THR A 399 10.238 -14.769 -7.657 1.00 85.02 H ATOM 11 HG21 THR A 399 12.567 -15.429 -7.512 1.00 87.57 H ATOM 12 HG22 THR A 399 13.325 -15.020 -6.188 1.00 87.57 H ATOM 13 HG23 THR A 399 12.179 -16.106 -6.141 1.00 87.57 H ATOM 14 N HIS A 400 8.933 -13.639 -4.387 1.00 76.54 N ANISOU 14 N HIS A 400 8399 12228 8455 -1763 2202 -28 N ATOM 15 CA HIS A 400 7.676 -12.925 -4.180 1.00 73.76 C ANISOU 15 CA HIS A 400 8378 11474 8173 -1833 1944 179 C ATOM 16 C HIS A 400 7.715 -12.231 -2.825 1.00 70.02 C ANISOU 16 C HIS A 400 7742 10779 8085 -1897 1753 84 C ATOM 17 O HIS A 400 7.638 -12.888 -1.781 1.00 64.90 O ANISOU 17 O HIS A 400 6982 10147 7531 -1643 1572 -142 O ATOM 18 CB HIS A 400 6.498 -13.893 -4.260 1.00 71.68 C ANISOU 18 CB HIS A 400 8407 11094 7733 -1532 1734 133 C ATOM 19 CG HIS A 400 6.577 -14.853 -5.406 1.00 72.39 C ANISOU 19 CG HIS A 400 8625 11442 7438 -1429 1901 60 C ATOM 20 ND1 HIS A 400 5.968 -16.089 -5.381 1.00 70.74 N ANISOU 20 ND1 HIS A 400 8556 11199 7122 -1143 1784 -141 N ATOM 21 CD2 HIS A 400 7.190 -14.760 -6.610 1.00 75.90 C ANISOU 21 CD2 HIS A 400 9094 12177 7568 -1588 2201 135 C ATOM 22 CE1 HIS A 400 6.205 -16.717 -6.519 1.00 72.83 C ANISOU 22 CE1 HIS A 400 8938 11707 7029 -1132 1988 -240 C ATOM 23 NE2 HIS A 400 6.944 -15.933 -7.282 1.00 76.49 N ANISOU 23 NE2 HIS A 400 9336 12401 7327 -1386 2250 -72 N ATOM 24 H HIS A 400 8.859 -14.495 -4.358 1.00 92.04 H ATOM 25 HA HIS A 400 7.568 -12.251 -4.869 1.00 88.70 H ATOM 26 HB2 HIS A 400 6.464 -14.412 -3.441 1.00 86.21 H ATOM 27 HB3 HIS A 400 5.680 -13.382 -4.359 1.00 86.21 H ATOM 28 HD2 HIS A 400 7.687 -14.038 -6.922 1.00 91.27 H ATOM 29 HE1 HIS A 400 5.902 -17.567 -6.745 1.00 87.59 H ATOM 30 HE2 HIS A 400 7.225 -16.125 -8.072 1.00 91.98 H ATOM 31 N THR A 401 7.826 -10.905 -2.834 1.00 69.59 N ANISOU 31 N THR A 401 7694 10506 8241 -2240 1802 253 N ATOM 32 CA THR A 401 7.971 -10.123 -1.616 1.00 69.82 C ANISOU 32 CA THR A 401 7577 10323 8627 -2370 1657 92 C ATOM 33 C THR A 401 6.777 -9.197 -1.438 1.00 72.46 C ANISOU 33 C THR A 401 8247 10151 9135 -2420 1516 279 C ATOM 34 O THR A 401 6.216 -8.680 -2.410 1.00 75.88 O ANISOU 34 O THR A 401 8937 10392 9502 -2519 1593 633 O ATOM 35 CB THR A 401 9.261 -9.295 -1.638 1.00 72.94 C ANISOU 35 CB THR A 401 7633 10841 9242 -2774 1861 46 C ATOM 36 OG1 THR A 401 10.365 -10.142 -1.978 1.00 73.46 O ANISOU 36 OG1 THR A 401 7347 11406 9156 -2704 2042 -78 O ATOM 37 CG2 THR A 401 9.514 -8.659 -0.275 1.00 73.47 C ANISOU 37 CG2 THR A 401 7512 10767 9636 -2909 1669 -248 C ATOM 38 H THR A 401 7.820 -10.428 -3.550 1.00 83.70 H ATOM 39 HA THR A 401 8.008 -10.719 -0.852 1.00 83.97 H ATOM 40 HB THR A 401 9.181 -8.588 -2.297 1.00 87.73 H ATOM 41 HG1 THR A 401 10.441 -10.757 -1.411 1.00 88.34 H ATOM 42 HG21 THR A 401 10.390 -8.242 -0.263 1.00 88.36 H ATOM 43 HG22 THR A 401 8.842 -7.984 -0.092 1.00 88.36 H ATOM 44 HG23 THR A 401 9.479 -9.336 0.418 1.00 88.36 H ATOM 45 N CYS A 402 6.393 -8.994 -0.180 1.00 62.86 N ANISOU 45 N CYS A 402 7018 8740 8125 -2327 1314 50 N ATOM 46 CA CYS A 402 5.298 -8.088 0.135 1.00 58.87 C ANISOU 46 CA CYS A 402 6787 7733 7846 -2336 1214 168 C ATOM 47 C CYS A 402 5.683 -6.661 -0.230 1.00 61.53 C ANISOU 47 C CYS A 402 7153 7734 8491 -2745 1384 329 C ATOM 48 O CYS A 402 6.782 -6.198 0.094 1.00 62.74 O ANISOU 48 O CYS A 402 7046 7975 8818 -3053 1483 129 O ATOM 49 CB CYS A 402 4.945 -8.181 1.618 1.00 55.59 C ANISOU 49 CB CYS A 402 6333 7240 7548 -2162 1021 -174 C ATOM 50 SG CYS A 402 3.461 -7.262 2.082 1.00 51.11 S ANISOU 50 SG CYS A 402 6087 6078 7254 -2059 939 -79 S ATOM 51 H CYS A 402 6.751 -9.369 0.506 1.00 75.62 H ATOM 52 HA CYS A 402 4.516 -8.335 -0.382 1.00 70.83 H ATOM 53 HB2 CYS A 402 4.800 -9.112 1.846 1.00 66.90 H ATOM 54 HB3 CYS A 402 5.685 -7.828 2.136 1.00 66.90 H ATOM 55 N ASP A 403 4.773 -5.961 -0.906 1.00 84.93 N ANISOU 55 N ASP A 403 10414 10303 11552 -2752 1411 712 N ATOM 56 CA ASP A 403 5.030 -4.598 -1.347 1.00 91.62 C ANISOU 56 CA ASP A 403 11342 10739 12730 -3112 1597 965 C ATOM 57 C ASP A 403 4.834 -3.567 -0.244 1.00 94.65 C ANISOU 57 C ASP A 403 11762 10610 13590 -3229 1558 700 C ATOM 58 O ASP A 403 5.255 -2.418 -0.414 1.00 98.51 O ANISOU 58 O ASP A 403 12276 10709 14446 -3589 1733 802 O ATOM 59 CB ASP A 403 4.124 -4.254 -2.532 1.00 95.27 C ANISOU 59 CB ASP A 403 12111 10987 13100 -3030 1627 1545 C ATOM 60 CG ASP A 403 4.465 -5.050 -3.776 1.00 95.60 C ANISOU 60 CG ASP A 403 12149 11531 12642 -3021 1722 1797 C ATOM 61 OD1 ASP A 403 5.236 -4.539 -4.615 1.00100.14 O ANISOU 61 OD1 ASP A 403 12696 12170 13183 -3333 1981 2068 O ATOM 62 OD2 ASP A 403 3.964 -6.185 -3.915 1.00 91.34 O ANISOU 62 OD2 ASP A 403 11643 11313 11747 -2717 1563 1710 O ATOM 63 H ASP A 403 3.995 -6.258 -1.121 1.00102.11 H ATOM 64 HA ASP A 403 5.950 -4.536 -1.649 1.00110.14 H ATOM 65 HB2 ASP A 403 3.204 -4.448 -2.294 1.00114.52 H ATOM 66 HB3 ASP A 403 4.221 -3.312 -2.742 1.00114.52 H ATOM 67 N TYR A 404 4.216 -3.941 0.874 1.00 77.75 N ANISOU 67 N TYR A 404 9639 8450 11454 -2950 1361 354 N ATOM 68 CA TYR A 404 3.978 -2.983 1.945 1.00 79.05 C ANISOU 68 CA TYR A 404 9870 8148 12017 -3037 1346 36 C ATOM 69 C TYR A 404 5.299 -2.495 2.527 1.00 82.35 C ANISOU 69 C TYR A 404 10027 8652 12612 -3469 1408 -371 C ATOM 70 O TYR A 404 6.267 -3.252 2.640 1.00 81.59 O ANISOU 70 O TYR A 404 9623 9115 12262 -3539 1362 -559 O ATOM 71 CB TYR A 404 3.106 -3.612 3.031 1.00 75.64 C ANISOU 71 CB TYR A 404 9488 7797 11452 -2641 1155 -258 C ATOM 72 CG TYR A 404 1.649 -3.705 2.636 1.00 74.49 C ANISOU 72 CG TYR A 404 9584 7395 11325 -2279 1107 100 C ATOM 73 CD1 TYR A 404 0.688 -2.919 3.258 1.00 75.90 C ANISOU 73 CD1 TYR A 404 9934 7060 11843 -2128 1128 30 C ATOM 74 CD2 TYR A 404 1.238 -4.565 1.626 1.00 73.85 C ANISOU 74 CD2 TYR A 404 9532 7594 10932 -2093 1042 485 C ATOM 75 CE1 TYR A 404 -0.643 -2.997 2.893 1.00 75.75 C ANISOU 75 CE1 TYR A 404 10060 6842 11881 -1786 1076 377 C ATOM 76 CE2 TYR A 404 -0.090 -4.649 1.255 1.00 74.23 C ANISOU 76 CE2 TYR A 404 9743 7458 11005 -1793 953 805 C ATOM 77 CZ TYR A 404 -1.026 -3.863 1.891 1.00 74.56 C ANISOU 77 CZ TYR A 404 9901 7014 11415 -1634 965 773 C ATOM 78 OH TYR A 404 -2.350 -3.944 1.522 1.00 73.89 O ANISOU 78 OH TYR A 404 9905 6779 11392 -1322 869 1111 O ATOM 79 H TYR A 404 3.928 -4.735 1.035 1.00 93.50 H ATOM 80 HA TYR A 404 3.505 -2.216 1.586 1.00 95.05 H ATOM 81 HB2 TYR A 404 3.425 -4.510 3.211 1.00 90.96 H ATOM 82 HB3 TYR A 404 3.164 -3.072 3.835 1.00 90.96 H ATOM 83 HD1 TYR A 404 0.943 -2.334 3.935 1.00 91.27 H ATOM 84 HD2 TYR A 404 1.867 -5.097 1.195 1.00 88.81 H ATOM 85 HE1 TYR A 404 -1.277 -2.467 3.320 1.00 91.10 H ATOM 86 HE2 TYR A 404 -0.351 -5.232 0.579 1.00 89.27 H ATOM 87 HH TYR A 404 -2.442 -4.506 0.905 1.00 88.86 H ATOM 88 N ALA A 405 5.328 -1.213 2.897 1.00100.29 N ANISOU 88 N ALA A 405 12404 10346 15357 -3760 1512 -515 N ATOM 89 CA ALA A 405 6.581 -0.565 3.275 1.00106.83 C ANISOU 89 CA ALA A 405 12980 11174 16438 -4279 1585 -869 C ATOM 90 C ALA A 405 7.238 -1.267 4.458 1.00104.29 C ANISOU 90 C ALA A 405 12353 11422 15851 -4257 1354 -1459 C ATOM 91 O ALA A 405 8.413 -1.646 4.395 1.00107.54 O ANISOU 91 O ALA A 405 12385 12328 16145 -4493 1334 -1582 O ATOM 92 CB ALA A 405 6.326 0.908 3.597 1.00113.50 C ANISOU 92 CB ALA A 405 14060 11316 17749 -4408 1629 -937 C ATOM 93 H ALA A 405 4.639 -0.701 2.937 1.00120.54 H ATOM 94 HA ALA A 405 7.195 -0.605 2.525 1.00128.39 H ATOM 95 HB1 ALA A 405 7.165 1.326 3.846 1.00136.39 H ATOM 96 HB2 ALA A 405 5.959 1.344 2.812 1.00136.39 H ATOM 97 HB3 ALA A 405 5.696 0.966 4.332 1.00136.39 H ATOM 98 N GLY A 406 6.498 -1.442 5.549 1.00 91.02 N ANISOU 98 N GLY A 406 10812 9707 14063 -3960 1184 -1803 N ATOM 99 CA GLY A 406 7.058 -2.008 6.758 1.00 90.82 C ANISOU 99 CA GLY A 406 10539 10216 13753 -3929 946 -2336 C ATOM 100 C GLY A 406 7.265 -3.503 6.750 1.00 84.01 C ANISOU 100 C GLY A 406 9464 10066 12389 -3567 790 -2214 C ATOM 101 O GLY A 406 7.776 -4.047 7.733 1.00 84.36 O ANISOU 101 O GLY A 406 9279 10603 12168 -3502 575 -2576 O ATOM 102 H GLY A 406 5.665 -1.238 5.609 1.00109.41 H ATOM 103 HA2 GLY A 406 7.918 -1.592 6.927 1.00109.18 H ATOM 104 HA3 GLY A 406 6.473 -1.795 7.502 1.00109.18 H ATOM 105 N CYS A 407 6.890 -4.189 5.674 1.00 78.55 N ANISOU 105 N CYS A 407 8848 9443 11554 -3327 885 -1717 N ATOM 106 CA CYS A 407 7.025 -5.634 5.578 1.00 75.62 C ANISOU 106 CA CYS A 407 8319 9646 10768 -2971 777 -1601 C ATOM 107 C CYS A 407 8.060 -5.991 4.521 1.00 78.74 C ANISOU 107 C CYS A 407 8439 10362 11116 -3146 915 -1378 C ATOM 108 O CYS A 407 8.083 -5.403 3.434 1.00 83.03 O ANISOU 108 O CYS A 407 9083 10636 11830 -3370 1132 -1059 O ATOM 109 CB CYS A 407 5.683 -6.288 5.234 1.00 69.49 C ANISOU 109 CB CYS A 407 7852 8718 9832 -2531 772 -1285 C ATOM 110 SG CYS A 407 5.776 -8.080 4.991 1.00 65.16 S ANISOU 110 SG CYS A 407 7167 8739 8855 -2119 685 -1136 S ATOM 111 H CYS A 407 6.547 -3.830 4.972 1.00 94.45 H ATOM 112 HA CYS A 407 7.325 -5.990 6.429 1.00 90.94 H ATOM 113 HB2 CYS A 407 5.060 -6.120 5.958 1.00 83.58 H ATOM 114 HB3 CYS A 407 5.346 -5.895 4.413 1.00 83.58 H ATOM 115 N GLY A 408 8.913 -6.958 4.848 1.00 81.30 N ANISOU 115 N GLY A 408 8412 11274 11205 -3020 807 -1524 N ATOM 116 CA GLY A 408 9.909 -7.448 3.916 1.00 81.55 C ANISOU 116 CA GLY A 408 8139 11672 11173 -3107 968 -1352 C ATOM 117 C GLY A 408 9.826 -8.948 3.724 1.00 76.21 C ANISOU 117 C GLY A 408 7411 11384 10161 -2633 926 -1238 C ATOM 118 O GLY A 408 10.702 -9.551 3.097 1.00 78.07 O ANISOU 118 O GLY A 408 7357 11988 10317 -2613 1061 -1166 O ATOM 119 H GLY A 408 8.931 -7.348 5.614 1.00 97.76 H ATOM 120 HA2 GLY A 408 9.789 -7.022 3.053 1.00 98.05 H ATOM 121 HA3 GLY A 408 10.795 -7.229 4.246 1.00 98.05 H ATOM 122 N LYS A 409 8.773 -9.561 4.263 1.00 75.86 N ANISOU 122 N LYS A 409 7638 11234 9950 -2250 771 -1227 N ATOM 123 CA LYS A 409 8.617 -11.005 4.168 1.00 73.38 C ANISOU 123 CA LYS A 409 7309 11197 9376 -1808 734 -1130 C ATOM 124 C LYS A 409 8.606 -11.452 2.712 1.00 72.29 C ANISOU 124 C LYS A 409 7261 11058 9148 -1780 968 -858 C ATOM 125 O LYS A 409 7.977 -10.825 1.855 1.00 72.62 O ANISOU 125 O LYS A 409 7581 10780 9232 -1942 1086 -637 O ATOM 126 CB LYS A 409 7.326 -11.444 4.860 1.00 70.68 C ANISOU 126 CB LYS A 409 7286 10643 8926 -1477 582 -1105 C ATOM 127 CG LYS A 409 7.349 -11.306 6.375 1.00 73.60 C ANISOU 127 CG LYS A 409 7576 11141 9249 -1407 364 -1383 C ATOM 128 CD LYS A 409 6.022 -11.728 6.984 1.00 71.98 C ANISOU 128 CD LYS A 409 7684 10727 8936 -1089 290 -1314 C ATOM 129 CE LYS A 409 6.018 -11.578 8.495 1.00 76.64 C ANISOU 129 CE LYS A 409 8231 11492 9395 -1014 107 -1586 C ATOM 130 NZ LYS A 409 4.679 -11.875 9.075 1.00 75.83 N ANISOU 130 NZ LYS A 409 8430 11175 9206 -735 104 -1502 N ATOM 131 H LYS A 409 8.137 -9.166 4.686 1.00 91.22 H ATOM 132 HA LYS A 409 9.363 -11.437 4.613 1.00 88.25 H ATOM 133 HB2 LYS A 409 6.594 -10.902 4.526 1.00 85.01 H ATOM 134 HB3 LYS A 409 7.164 -12.377 4.651 1.00 85.01 H ATOM 135 HG2 LYS A 409 8.046 -11.874 6.739 1.00 88.52 H ATOM 136 HG3 LYS A 409 7.512 -10.379 6.611 1.00 88.52 H ATOM 137 HD2 LYS A 409 5.317 -11.169 6.624 1.00 86.57 H ATOM 138 HD3 LYS A 409 5.854 -12.659 6.771 1.00 86.57 H ATOM 139 HE2 LYS A 409 6.659 -12.197 8.879 1.00 92.16 H ATOM 140 HE3 LYS A 409 6.253 -10.666 8.726 1.00 92.16 H ATOM 141 HZ1 LYS A 409 4.703 -11.780 9.960 1.00 91.19 H ATOM 142 HZ2 LYS A 409 4.072 -11.316 8.741 1.00 91.19 H ATOM 143 HZ3 LYS A 409 4.442 -12.710 8.880 1.00 91.19 H ATOM 144 N THR A 410 9.314 -12.545 2.439 1.00 69.64 N ANISOU 144 N THR A 410 6689 11098 8674 -1555 1037 -877 N ATOM 145 CA THR A 410 9.380 -13.140 1.113 1.00 68.62 C ANISOU 145 CA THR A 410 6640 11038 8396 -1488 1278 -707 C ATOM 146 C THR A 410 8.959 -14.599 1.201 1.00 64.83 C ANISOU 146 C THR A 410 6255 10626 7751 -1027 1222 -726 C ATOM 147 O THR A 410 9.278 -15.289 2.175 1.00 64.77 O ANISOU 147 O THR A 410 6048 10796 7764 -758 1078 -849 O ATOM 148 CB THR A 410 10.793 -13.041 0.528 1.00 73.09 C ANISOU 148 CB THR A 410 6795 11971 9007 -1682 1522 -747 C ATOM 149 OG1 THR A 410 11.252 -11.686 0.608 1.00 76.36 O ANISOU 149 OG1 THR A 410 7075 12293 9643 -2154 1566 -749 O ATOM 150 CG2 THR A 410 10.806 -13.492 -0.928 1.00 75.06 C ANISOU 150 CG2 THR A 410 7188 12291 9042 -1656 1825 -587 C ATOM 151 H THR A 410 9.777 -12.970 3.026 1.00 83.76 H ATOM 152 HA THR A 410 8.768 -12.680 0.518 1.00 82.54 H ATOM 153 HB THR A 410 11.392 -13.614 1.032 1.00 87.91 H ATOM 154 HG1 THR A 410 12.027 -11.626 0.289 1.00 91.82 H ATOM 155 HG21 THR A 410 11.683 -13.338 -1.314 1.00 90.27 H ATOM 156 HG22 THR A 410 10.599 -14.438 -0.986 1.00 90.27 H ATOM 157 HG23 THR A 410 10.147 -12.993 -1.435 1.00 90.27 H ATOM 158 N TYR A 411 8.245 -15.065 0.180 1.00 60.47 N ANISOU 158 N TYR A 411 6012 9929 7034 -948 1330 -596 N ATOM 159 CA TYR A 411 7.726 -16.423 0.146 1.00 58.05 C ANISOU 159 CA TYR A 411 5849 9589 6618 -571 1296 -634 C ATOM 160 C TYR A 411 8.168 -17.104 -1.142 1.00 63.10 C ANISOU 160 C TYR A 411 6508 10393 7075 -526 1568 -665 C ATOM 161 O TYR A 411 8.654 -16.465 -2.079 1.00 67.84 O ANISOU 161 O TYR A 411 7075 11127 7575 -794 1778 -597 O ATOM 162 CB TYR A 411 6.196 -16.439 0.260 1.00 52.62 C ANISOU 162 CB TYR A 411 5548 8538 5908 -517 1117 -518 C ATOM 163 CG TYR A 411 5.681 -15.843 1.549 1.00 49.06 C ANISOU 163 CG TYR A 411 5103 7928 5611 -515 902 -520 C ATOM 164 CD1 TYR A 411 5.344 -14.499 1.630 1.00 48.24 C ANISOU 164 CD1 TYR A 411 5084 7629 5616 -799 861 -448 C ATOM 165 CD2 TYR A 411 5.535 -16.623 2.688 1.00 47.55 C ANISOU 165 CD2 TYR A 411 4848 7768 5449 -217 769 -588 C ATOM 166 CE1 TYR A 411 4.873 -13.948 2.807 1.00 49.46 C ANISOU 166 CE1 TYR A 411 5263 7632 5896 -786 705 -516 C ATOM 167 CE2 TYR A 411 5.064 -16.082 3.871 1.00 48.23 C ANISOU 167 CE2 TYR A 411 4959 7763 5603 -213 605 -614 C ATOM 168 CZ TYR A 411 4.735 -14.744 3.924 1.00 49.83 C ANISOU 168 CZ TYR A 411 5250 7780 5904 -498 580 -613 C ATOM 169 OH TYR A 411 4.267 -14.200 5.098 1.00 50.43 O ANISOU 169 OH TYR A 411 5368 7758 6034 -483 455 -703 O ATOM 170 H TYR A 411 8.046 -14.602 -0.517 1.00 72.75 H ATOM 171 HA TYR A 411 8.089 -16.925 0.892 1.00 69.85 H ATOM 172 HB2 TYR A 411 5.821 -15.928 -0.475 1.00 63.34 H ATOM 173 HB3 TYR A 411 5.888 -17.358 0.213 1.00 63.34 H ATOM 174 HD1 TYR A 411 5.435 -13.959 0.878 1.00 58.08 H ATOM 175 HD2 TYR A 411 5.756 -17.526 2.655 1.00 57.25 H ATOM 176 HE1 TYR A 411 4.650 -13.046 2.845 1.00 59.54 H ATOM 177 HE2 TYR A 411 4.971 -16.617 4.626 1.00 58.07 H ATOM 178 HH TYR A 411 4.229 -14.791 5.693 1.00 60.71 H ATOM 179 N THR A 412 7.991 -18.425 -1.174 1.00 70.18 N ANISOU 179 N THR A 412 7472 11264 7928 -183 1589 -774 N ATOM 180 CA THR A 412 8.386 -19.211 -2.338 1.00 73.55 C ANISOU 180 CA THR A 412 7944 11824 8176 -94 1868 -894 C ATOM 181 C THR A 412 7.348 -19.107 -3.450 1.00 74.61 C ANISOU 181 C THR A 412 8504 11802 8041 -268 1867 -829 C ATOM 182 O THR A 412 7.647 -18.635 -4.552 1.00 78.06 O ANISOU 182 O THR A 412 9003 12421 8235 -493 2070 -782 O ATOM 183 CB THR A 412 8.593 -20.673 -1.934 1.00 73.02 C ANISOU 183 CB THR A 412 7806 11714 8224 345 1904 -1060 C ATOM 184 OG1 THR A 412 7.413 -21.165 -1.286 1.00 70.52 O ANISOU 184 OG1 THR A 412 7754 11052 7988 483 1656 -1003 O ATOM 185 CG2 THR A 412 9.778 -20.809 -0.990 1.00 73.57 C ANISOU 185 CG2 THR A 412 7397 12043 8515 550 1910 -1086 C ATOM 186 H THR A 412 7.645 -18.887 -0.536 1.00 84.41 H ATOM 187 HA THR A 412 9.228 -18.871 -2.679 1.00 88.45 H ATOM 188 HB THR A 412 8.770 -21.204 -2.726 1.00 87.82 H ATOM 189 HG1 THR A 412 7.521 -21.967 -1.062 1.00 84.82 H ATOM 190 HG21 THR A 412 9.907 -21.741 -0.752 1.00 88.48 H ATOM 191 HG22 THR A 412 10.583 -20.479 -1.419 1.00 88.48 H ATOM 192 HG23 THR A 412 9.619 -20.297 -0.182 1.00 88.48 H ATOM 193 N LYS A 413 6.121 -19.537 -3.175 1.00 72.50 N ANISOU 193 N LYS A 413 8512 11235 7800 -175 1634 -804 N ATOM 194 CA LYS A 413 5.067 -19.551 -4.177 1.00 73.19 C ANISOU 194 CA LYS A 413 8959 11212 7638 -321 1562 -757 C ATOM 195 C LYS A 413 4.253 -18.263 -4.126 1.00 70.87 C ANISOU 195 C LYS A 413 8784 10790 7354 -579 1358 -461 C ATOM 196 O LYS A 413 4.238 -17.542 -3.125 1.00 69.45 O ANISOU 196 O LYS A 413 8472 10494 7422 -604 1243 -353 O ATOM 197 CB LYS A 413 4.146 -20.757 -3.974 1.00 72.79 C ANISOU 197 CB LYS A 413 9099 10899 7660 -111 1424 -899 C ATOM 198 CG LYS A 413 4.856 -22.097 -4.079 1.00 75.53 C ANISOU 198 CG LYS A 413 9379 11264 8054 175 1645 -1193 C ATOM 199 CD LYS A 413 3.879 -23.261 -4.001 1.00 74.73 C ANISOU 199 CD LYS A 413 9508 10827 8058 314 1530 -1334 C ATOM 200 CE LYS A 413 4.610 -24.596 -4.048 1.00 78.05 C ANISOU 200 CE LYS A 413 9877 11169 8610 633 1780 -1621 C ATOM 201 NZ LYS A 413 3.679 -25.755 -3.989 1.00 77.70 N ANISOU 201 NZ LYS A 413 10071 10723 8730 728 1696 -1772 N ATOM 202 H LYS A 413 5.873 -19.829 -2.405 1.00 87.20 H ATOM 203 HA LYS A 413 5.465 -19.622 -5.059 1.00 88.03 H ATOM 204 HB2 LYS A 413 3.748 -20.701 -3.091 1.00 87.54 H ATOM 205 HB3 LYS A 413 3.451 -20.736 -4.650 1.00 87.54 H ATOM 206 HG2 LYS A 413 5.320 -22.147 -4.930 1.00 90.83 H ATOM 207 HG3 LYS A 413 5.488 -22.182 -3.348 1.00 90.83 H ATOM 208 HD2 LYS A 413 3.387 -23.212 -3.167 1.00 89.87 H ATOM 209 HD3 LYS A 413 3.270 -23.220 -4.755 1.00 89.87 H ATOM 210 HE2 LYS A 413 5.111 -24.654 -4.877 1.00 93.85 H ATOM 211 HE3 LYS A 413 5.212 -24.655 -3.290 1.00 93.85 H ATOM 212 HZ1 LYS A 413 3.210 -25.730 -3.233 1.00 93.44 H ATOM 213 HZ2 LYS A 413 3.118 -25.729 -4.679 1.00 93.44 H ATOM 214 HZ3 LYS A 413 4.139 -26.516 -4.019 1.00 93.44 H ATOM 215 N SER A 414 3.571 -17.978 -5.238 1.00 66.69 N ANISOU 215 N SER A 414 8513 10288 6539 -758 1314 -338 N ATOM 216 CA SER A 414 2.715 -16.798 -5.300 1.00 65.62 C ANISOU 216 CA SER A 414 8497 9999 6434 -951 1118 -8 C ATOM 217 C SER A 414 1.547 -16.918 -4.331 1.00 60.30 C ANISOU 217 C SER A 414 7860 9009 6042 -817 836 35 C ATOM 218 O SER A 414 1.201 -15.954 -3.639 1.00 57.40 O ANISOU 218 O SER A 414 7446 8451 5912 -866 735 217 O ATOM 219 CB SER A 414 2.206 -16.598 -6.728 1.00 68.95 C ANISOU 219 CB SER A 414 9175 10579 6442 -1126 1092 150 C ATOM 220 OG SER A 414 1.326 -15.491 -6.808 1.00 69.02 O ANISOU 220 OG SER A 414 9287 10420 6517 -1257 885 526 O ATOM 221 H SER A 414 3.588 -18.446 -5.959 1.00 80.22 H ATOM 222 HA SER A 414 3.233 -16.016 -5.052 1.00 78.93 H ATOM 223 HB2 SER A 414 2.964 -16.440 -7.313 1.00 82.93 H ATOM 224 HB3 SER A 414 1.733 -17.397 -7.008 1.00 82.93 H ATOM 225 HG SER A 414 1.056 -15.395 -7.598 1.00 83.01 H ATOM 226 N SER A 415 0.927 -18.099 -4.265 1.00 55.80 N ANISOU 226 N SER A 415 7372 8359 5471 -656 739 -144 N ATOM 227 CA SER A 415 -0.206 -18.295 -3.366 1.00 54.18 C ANISOU 227 CA SER A 415 7174 7874 5537 -542 517 -85 C ATOM 228 C SER A 415 0.159 -17.965 -1.925 1.00 51.54 C ANISOU 228 C SER A 415 6653 7431 5501 -411 543 -80 C ATOM 229 O SER A 415 -0.681 -17.456 -1.173 1.00 49.61 O ANISOU 229 O SER A 415 6402 6988 5458 -384 407 55 O ATOM 230 CB SER A 415 -0.714 -19.733 -3.468 1.00 56.84 C ANISOU 230 CB SER A 415 7596 8123 5877 -416 471 -306 C ATOM 231 OG SER A 415 0.331 -20.662 -3.238 1.00 58.62 O ANISOU 231 OG SER A 415 7739 8408 6124 -239 688 -554 O ATOM 232 H SER A 415 1.142 -18.793 -4.725 1.00 67.16 H ATOM 233 HA SER A 415 -0.927 -17.704 -3.634 1.00 65.21 H ATOM 234 HB2 SER A 415 -1.408 -19.869 -2.804 1.00 68.40 H ATOM 235 HB3 SER A 415 -1.074 -19.877 -4.357 1.00 68.40 H ATOM 236 HG SER A 415 0.036 -21.446 -3.297 1.00 70.53 H ATOM 237 N HIS A 416 1.400 -18.246 -1.521 1.00 51.90 N ANISOU 237 N HIS A 416 6526 7635 5559 -320 715 -235 N ATOM 238 CA HIS A 416 1.837 -17.899 -0.173 1.00 48.73 C ANISOU 238 CA HIS A 416 5932 7219 5362 -220 700 -250 C ATOM 239 C HIS A 416 1.766 -16.395 0.050 1.00 47.73 C ANISOU 239 C HIS A 416 5788 7023 5324 -433 657 -112 C ATOM 240 O HIS A 416 1.229 -15.928 1.061 1.00 45.63 O ANISOU 240 O HIS A 416 5512 6596 5230 -384 556 -82 O ATOM 241 CB HIS A 416 3.258 -18.410 0.065 1.00 50.79 C ANISOU 241 CB HIS A 416 5957 7736 5605 -100 860 -418 C ATOM 242 CG HIS A 416 3.361 -19.901 0.127 1.00 53.47 C ANISOU 242 CG HIS A 416 6300 8056 5961 185 919 -547 C ATOM 243 ND1 HIS A 416 4.558 -20.556 0.324 1.00 56.49 N ANISOU 243 ND1 HIS A 416 6452 8641 6371 384 1066 -675 N ATOM 244 CD2 HIS A 416 2.416 -20.866 0.024 1.00 54.30 C ANISOU 244 CD2 HIS A 416 6596 7928 6107 303 862 -563 C ATOM 245 CE1 HIS A 416 4.346 -21.860 0.338 1.00 57.98 C ANISOU 245 CE1 HIS A 416 6723 8677 6629 642 1111 -753 C ATOM 246 NE2 HIS A 416 3.055 -22.075 0.158 1.00 55.88 N ANISOU 246 NE2 HIS A 416 6721 8135 6375 570 992 -700 N ATOM 247 H HIS A 416 1.999 -18.632 -2.003 1.00 62.47 H ATOM 248 HA HIS A 416 1.251 -18.326 0.471 1.00 58.66 H ATOM 249 HB2 HIS A 416 3.826 -18.104 -0.659 1.00 61.14 H ATOM 250 HB3 HIS A 416 3.581 -18.055 0.908 1.00 61.14 H ATOM 251 HD2 HIS A 416 1.505 -20.735 -0.112 1.00 65.35 H ATOM 252 HE1 HIS A 416 4.996 -22.515 0.454 1.00 69.77 H ATOM 253 HE2 HIS A 416 2.676 -22.846 0.129 1.00 67.25 H ATOM 254 N LEU A 417 2.309 -15.617 -0.889 1.00 51.46 N ANISOU 254 N LEU A 417 6268 7595 5689 -671 766 -28 N ATOM 255 CA LEU A 417 2.264 -14.165 -0.760 1.00 54.72 C ANISOU 255 CA LEU A 417 6687 7856 6247 -893 757 124 C ATOM 256 C LEU A 417 0.826 -13.665 -0.758 1.00 53.94 C ANISOU 256 C LEU A 417 6782 7451 6261 -871 590 332 C ATOM 257 O LEU A 417 0.447 -12.835 0.076 1.00 51.39 O ANISOU 257 O LEU A 417 6451 6897 6179 -877 540 352 O ATOM 258 CB LEU A 417 3.063 -13.514 -1.890 1.00 60.83 C ANISOU 258 CB LEU A 417 7453 8776 6883 -1161 942 249 C ATOM 259 CG LEU A 417 3.062 -11.983 -1.908 1.00 64.10 C ANISOU 259 CG LEU A 417 7900 8958 7495 -1425 974 454 C ATOM 260 CD1 LEU A 417 3.608 -11.417 -0.605 1.00 63.45 C ANISOU 260 CD1 LEU A 417 7622 8786 7701 -1477 960 240 C ATOM 261 CD2 LEU A 417 3.864 -11.465 -3.093 1.00 69.45 C ANISOU 261 CD2 LEU A 417 8575 9802 8011 -1697 1200 639 C ATOM 262 H LEU A 417 2.703 -15.902 -1.598 1.00 61.95 H ATOM 263 HA LEU A 417 2.671 -13.912 0.083 1.00 65.85 H ATOM 264 HB2 LEU A 417 3.986 -13.803 -1.818 1.00 73.19 H ATOM 265 HB3 LEU A 417 2.696 -13.814 -2.736 1.00 73.19 H ATOM 266 HG LEU A 417 2.150 -11.669 -2.010 1.00 77.11 H ATOM 267 HD11 LEU A 417 3.690 -10.455 -0.691 1.00 76.34 H ATOM 268 HD12 LEU A 417 2.996 -11.633 0.116 1.00 76.34 H ATOM 269 HD13 LEU A 417 4.478 -11.809 -0.431 1.00 76.34 H ATOM 270 HD21 LEU A 417 3.807 -10.497 -3.113 1.00 83.53 H ATOM 271 HD22 LEU A 417 4.789 -11.740 -2.992 1.00 83.53 H ATOM 272 HD23 LEU A 417 3.495 -11.835 -3.910 1.00 83.53 H ATOM 273 N LYS A 418 0.008 -14.161 -1.689 1.00 56.69 N ANISOU 273 N LYS A 418 7289 7809 6441 -841 501 464 N ATOM 274 CA LYS A 418 -1.401 -13.781 -1.725 1.00 58.58 C ANISOU 274 CA LYS A 418 7642 7810 6807 -793 313 681 C ATOM 275 C LYS A 418 -2.034 -13.906 -0.345 1.00 57.02 C ANISOU 275 C LYS A 418 7366 7416 6882 -602 250 578 C ATOM 276 O LYS A 418 -2.741 -13.003 0.114 1.00 57.24 O ANISOU 276 O LYS A 418 7407 7196 7147 -581 205 706 O ATOM 277 CB LYS A 418 -2.153 -14.647 -2.738 1.00 62.20 C ANISOU 277 CB LYS A 418 8218 8388 7026 -775 175 736 C ATOM 278 CG LYS A 418 -1.728 -14.438 -4.184 1.00 68.46 C ANISOU 278 CG LYS A 418 9136 9417 7459 -962 225 871 C ATOM 279 CD LYS A 418 -2.506 -15.349 -5.123 1.00 71.37 C ANISOU 279 CD LYS A 418 9630 9943 7544 -961 50 841 C ATOM 280 CE LYS A 418 -2.104 -15.135 -6.574 1.00 76.85 C ANISOU 280 CE LYS A 418 10480 10942 7776 -1144 102 968 C ATOM 281 NZ LYS A 418 -2.850 -16.034 -7.498 1.00 78.68 N ANISOU 281 NZ LYS A 418 10848 11374 7674 -1174 -100 865 N ATOM 282 H LYS A 418 0.243 -14.714 -2.304 1.00 68.22 H ATOM 283 HA LYS A 418 -1.473 -12.856 -2.007 1.00 70.49 H ATOM 284 HB2 LYS A 418 -2.004 -15.580 -2.519 1.00 74.83 H ATOM 285 HB3 LYS A 418 -3.100 -14.444 -2.677 1.00 74.83 H ATOM 286 HG2 LYS A 418 -1.901 -13.518 -4.439 1.00 82.35 H ATOM 287 HG3 LYS A 418 -0.784 -14.641 -4.275 1.00 82.35 H ATOM 288 HD2 LYS A 418 -2.327 -16.274 -4.892 1.00 85.83 H ATOM 289 HD3 LYS A 418 -3.454 -15.160 -5.040 1.00 85.83 H ATOM 290 HE2 LYS A 418 -2.294 -14.218 -6.825 1.00 92.41 H ATOM 291 HE3 LYS A 418 -1.157 -15.319 -6.672 1.00 92.41 H ATOM 292 HZ1 LYS A 418 -2.595 -15.887 -8.338 1.00 94.61 H ATOM 293 HZ2 LYS A 418 -2.688 -16.884 -7.291 1.00 94.61 H ATOM 294 HZ3 LYS A 418 -3.724 -15.881 -7.431 1.00 94.61 H ATOM 295 N ALA A 419 -1.779 -15.026 0.335 1.00 41.89 N ANISOU 295 N ALA A 419 5374 5606 4935 -444 275 361 N ATOM 296 CA ALA A 419 -2.340 -15.229 1.666 1.00 40.97 C ANISOU 296 CA ALA A 419 5196 5363 5007 -258 248 294 C ATOM 297 C ALA A 419 -1.764 -14.235 2.668 1.00 45.95 C ANISOU 297 C ALA A 419 5752 5952 5753 -290 318 189 C ATOM 298 O ALA A 419 -2.487 -13.734 3.537 1.00 45.59 O ANISOU 298 O ALA A 419 5715 5730 5877 -205 307 191 O ATOM 299 CB ALA A 419 -2.083 -16.664 2.124 1.00 39.57 C ANISOU 299 CB ALA A 419 4970 5305 4760 -80 277 149 C ATOM 300 H ALA A 419 -1.290 -15.674 0.050 1.00 50.46 H ATOM 301 HA ALA A 419 -3.300 -15.094 1.628 1.00 49.36 H ATOM 302 HB1 ALA A 419 -2.461 -16.785 3.009 1.00 47.68 H ATOM 303 HB2 ALA A 419 -2.503 -17.275 1.498 1.00 47.68 H ATOM 304 HB3 ALA A 419 -1.126 -16.821 2.148 1.00 47.68 H ATOM 305 N HIS A 420 -0.467 -13.937 2.565 1.00 39.69 N ANISOU 305 N HIS A 420 4871 5334 4876 -426 401 66 N ATOM 306 CA HIS A 420 0.154 -13.008 3.505 1.00 41.42 C ANISOU 306 CA HIS A 420 5000 5536 5204 -516 438 -98 C ATOM 307 C HIS A 420 -0.458 -11.616 3.398 1.00 39.21 C ANISOU 307 C HIS A 420 4833 4910 5155 -657 454 10 C ATOM 308 O HIS A 420 -0.711 -10.963 4.417 1.00 42.80 O ANISOU 308 O HIS A 420 5294 5207 5760 -628 464 -138 O ATOM 309 CB HIS A 420 1.662 -12.941 3.264 1.00 46.49 C ANISOU 309 CB HIS A 420 5464 6447 5753 -683 517 -233 C ATOM 310 CG HIS A 420 2.323 -11.775 3.932 1.00 51.46 C ANISOU 310 CG HIS A 420 5996 7030 6528 -899 539 -406 C ATOM 311 ND1 HIS A 420 2.256 -11.562 5.291 1.00 51.85 N ANISOU 311 ND1 HIS A 420 6002 7091 6609 -820 466 -633 N ATOM 312 CD2 HIS A 420 3.050 -10.751 3.425 1.00 54.49 C ANISOU 312 CD2 HIS A 420 6325 7347 7033 -1220 634 -402 C ATOM 313 CE1 HIS A 420 2.918 -10.461 5.595 1.00 54.15 C ANISOU 313 CE1 HIS A 420 6217 7317 7039 -1095 492 -817 C ATOM 314 NE2 HIS A 420 3.410 -9.949 4.481 1.00 58.40 N ANISOU 314 NE2 HIS A 420 6738 7781 7671 -1350 601 -666 N ATOM 315 H HIS A 420 0.066 -14.254 1.969 1.00 47.82 H ATOM 316 HA HIS A 420 0.009 -13.330 4.408 1.00 49.90 H ATOM 317 HB2 HIS A 420 2.070 -13.751 3.607 1.00 55.98 H ATOM 318 HB3 HIS A 420 1.824 -12.869 2.310 1.00 55.98 H ATOM 319 HD1 HIS A 420 1.848 -12.068 5.854 1.00 62.42 H ATOM 320 HD2 HIS A 420 3.267 -10.617 2.531 1.00 65.59 H ATOM 321 HE1 HIS A 420 3.022 -10.107 6.449 1.00 65.17 H ATOM 322 N LEU A 421 -0.695 -11.141 2.173 1.00 49.10 N ANISOU 322 N LEU A 421 6186 6039 6431 -795 467 270 N ATOM 323 CA LEU A 421 -1.245 -9.802 1.993 1.00 44.88 C ANISOU 323 CA LEU A 421 5761 5126 6164 -897 492 445 C ATOM 324 C LEU A 421 -2.569 -9.634 2.727 1.00 40.57 C ANISOU 324 C LEU A 421 5266 4323 5827 -664 436 470 C ATOM 325 O LEU A 421 -2.941 -8.510 3.086 1.00 42.39 O ANISOU 325 O LEU A 421 5556 4199 6349 -681 497 482 O ATOM 326 CB LEU A 421 -1.426 -9.504 0.504 1.00 43.52 C ANISOU 326 CB LEU A 421 5699 4923 5914 -1021 483 817 C ATOM 327 CG LEU A 421 -0.178 -9.647 -0.370 1.00 41.20 C ANISOU 327 CG LEU A 421 5361 4910 5385 -1253 602 832 C ATOM 328 CD1 LEU A 421 -0.520 -9.378 -1.829 1.00 42.88 C ANISOU 328 CD1 LEU A 421 5724 5136 5432 -1349 589 1235 C ATOM 329 CD2 LEU A 421 0.933 -8.722 0.102 1.00 42.95 C ANISOU 329 CD2 LEU A 421 5476 5045 5797 -1507 756 672 C ATOM 330 H LEU A 421 -0.548 -11.570 1.442 1.00 59.11 H ATOM 331 HA LEU A 421 -0.621 -9.154 2.355 1.00 54.05 H ATOM 332 HB2 LEU A 421 -2.096 -10.110 0.152 1.00 52.42 H ATOM 333 HB3 LEU A 421 -1.739 -8.591 0.412 1.00 52.42 H ATOM 334 HG LEU A 421 0.148 -10.556 -0.306 1.00 49.64 H ATOM 335 HD11 LEU A 421 0.283 -9.474 -2.364 1.00 51.57 H ATOM 336 HD12 LEU A 421 -1.190 -10.017 -2.119 1.00 51.57 H ATOM 337 HD13 LEU A 421 -0.866 -8.476 -1.911 1.00 51.57 H ATOM 338 HD21 LEU A 421 1.670 -8.768 -0.527 1.00 51.66 H ATOM 339 HD22 LEU A 421 0.591 -7.815 0.145 1.00 51.66 H ATOM 340 HD23 LEU A 421 1.229 -9.006 0.981 1.00 51.66 H ATOM 341 N ARG A 422 -3.294 -10.730 2.961 1.00 49.69 N ANISOU 341 N ARG A 422 6387 5620 6872 -448 350 474 N ATOM 342 CA ARG A 422 -4.551 -10.641 3.690 1.00 47.90 C ANISOU 342 CA ARG A 422 6156 5196 6849 -229 339 506 C ATOM 343 C ARG A 422 -4.345 -10.220 5.139 1.00 49.49 C ANISOU 343 C ARG A 422 6338 5336 7129 -162 456 191 C ATOM 344 O ARG A 422 -5.282 -9.707 5.761 1.00 51.49 O ANISOU 344 O ARG A 422 6607 5355 7603 -9 523 182 O ATOM 345 CB ARG A 422 -5.289 -11.979 3.634 1.00 44.09 C ANISOU 345 CB ARG A 422 5615 4888 6248 -69 247 576 C ATOM 346 CG ARG A 422 -5.567 -12.460 2.220 1.00 43.59 C ANISOU 346 CG ARG A 422 5584 4921 6059 -154 102 810 C ATOM 347 CD ARG A 422 -6.851 -13.269 2.141 1.00 42.89 C ANISOU 347 CD ARG A 422 5422 4831 6045 -23 -18 933 C ATOM 348 NE ARG A 422 -7.175 -13.634 0.763 1.00 43.93 N ANISOU 348 NE ARG A 422 5588 5080 6023 -135 -203 1116 N ATOM 349 CZ ARG A 422 -6.876 -14.798 0.191 1.00 44.77 C ANISOU 349 CZ ARG A 422 5729 5396 5885 -207 -260 1003 C ATOM 350 NH1 ARG A 422 -6.242 -15.748 0.868 1.00 43.82 N ANISOU 350 NH1 ARG A 422 5598 5353 5696 -146 -141 762 N ATOM 351 NH2 ARG A 422 -7.219 -15.016 -1.071 1.00 48.07 N ANISOU 351 NH2 ARG A 422 6200 5946 6119 -328 -439 1130 N ATOM 352 H ARG A 422 -3.081 -11.525 2.710 1.00 59.82 H ATOM 353 HA ARG A 422 -5.112 -9.975 3.264 1.00 57.68 H ATOM 354 HB2 ARG A 422 -4.750 -12.653 4.077 1.00 53.10 H ATOM 355 HB3 ARG A 422 -6.140 -11.886 4.090 1.00 53.10 H ATOM 356 HG2 ARG A 422 -5.656 -11.692 1.634 1.00 52.51 H ATOM 357 HG3 ARG A 422 -4.835 -13.024 1.925 1.00 52.51 H ATOM 358 HD2 ARG A 422 -6.758 -14.075 2.671 1.00 51.67 H ATOM 359 HD3 ARG A 422 -7.582 -12.731 2.485 1.00 51.67 H ATOM 360 HE ARG A 422 -7.591 -13.052 0.285 1.00 52.91 H ATOM 361 HH11 ARG A 422 -6.012 -15.622 1.686 1.00 52.77 H ATOM 362 HH12 ARG A 422 -6.057 -16.495 0.483 1.00 52.77 H ATOM 363 HH21 ARG A 422 -7.632 -14.407 -1.516 1.00 57.88 H ATOM 364 HH22 ARG A 422 -7.030 -15.767 -1.444 1.00 57.88 H ATOM 365 N THR A 423 -3.147 -10.427 5.690 1.00 42.38 N ANISOU 365 N THR A 423 5388 4676 6039 -264 480 -80 N ATOM 366 CA THR A 423 -2.864 -9.943 7.037 1.00 47.21 C ANISOU 366 CA THR A 423 5992 5292 6655 -243 551 -418 C ATOM 367 C THR A 423 -2.850 -8.420 7.076 1.00 58.23 C ANISOU 367 C THR A 423 7477 6295 8352 -407 645 -525 C ATOM 368 O THR A 423 -3.377 -7.812 8.016 1.00 61.48 O ANISOU 368 O THR A 423 7951 6512 8896 -308 742 -736 O ATOM 369 CB THR A 423 -1.527 -10.502 7.531 1.00 42.59 C ANISOU 369 CB THR A 423 5284 5109 5790 -327 498 -655 C ATOM 370 OG1 THR A 423 -0.460 -10.006 6.710 1.00 42.90 O ANISOU 370 OG1 THR A 423 5263 5168 5868 -613 495 -660 O ATOM 371 CG2 THR A 423 -1.532 -12.028 7.494 1.00 39.16 C ANISOU 371 CG2 THR A 423 4778 4980 5120 -126 435 -526 C ATOM 372 H THR A 423 -2.493 -10.837 5.311 1.00 51.05 H ATOM 373 HA THR A 423 -3.560 -10.253 7.638 1.00 56.85 H ATOM 374 HB THR A 423 -1.382 -10.221 8.448 1.00 51.30 H ATOM 375 HG1 THR A 423 -0.592 -10.217 5.908 1.00 51.67 H ATOM 376 HG21 THR A 423 -0.713 -12.371 7.885 1.00 47.18 H ATOM 377 HG22 THR A 423 -2.288 -12.369 7.997 1.00 47.18 H ATOM 378 HG23 THR A 423 -1.598 -12.339 6.578 1.00 47.18 H ATOM 379 N HIS A 424 -2.259 -7.786 6.061 1.00 46.20 N ANISOU 379 N HIS A 424 5975 4628 6952 -656 648 -380 N ATOM 380 CA HIS A 424 -2.242 -6.328 6.003 1.00 52.72 C ANISOU 380 CA HIS A 424 6906 4988 8138 -830 760 -425 C ATOM 381 C HIS A 424 -3.633 -5.778 5.710 1.00 51.20 C ANISOU 381 C HIS A 424 6820 4371 8263 -608 809 -142 C ATOM 382 O HIS A 424 -4.127 -4.897 6.424 1.00 56.24 O ANISOU 382 O HIS A 424 7538 4638 9193 -528 936 -327 O ATOM 383 CB HIS A 424 -1.242 -5.859 4.944 1.00 56.10 C ANISOU 383 CB HIS A 424 7319 5385 8612 -1165 783 -262 C ATOM 384 CG HIS A 424 0.186 -6.178 5.272 1.00 57.64 C ANISOU 384 CG HIS A 424 7341 5962 8595 -1403 762 -562 C ATOM 385 ND1 HIS A 424 0.656 -6.247 6.566 1.00 59.23 N ANISOU 385 ND1 HIS A 424 7454 6358 8694 -1413 722 -1018 N ATOM 386 CD2 HIS A 424 1.245 -6.444 4.472 1.00 58.63 C ANISOU 386 CD2 HIS A 424 7337 6353 8586 -1628 774 -464 C ATOM 387 CE1 HIS A 424 1.944 -6.542 6.548 1.00 60.74 C ANISOU 387 CE1 HIS A 424 7436 6919 8723 -1629 674 -1171 C ATOM 388 NE2 HIS A 424 2.326 -6.668 5.290 1.00 61.76 N ANISOU 388 NE2 HIS A 424 7527 7084 8853 -1758 729 -846 N ATOM 389 H HIS A 424 -1.866 -8.174 5.402 1.00 55.63 H ATOM 390 HA HIS A 424 -1.957 -5.980 6.862 1.00 63.46 H ATOM 391 HB2 HIS A 424 -1.456 -6.288 4.101 1.00 67.51 H ATOM 392 HB3 HIS A 424 -1.316 -4.897 4.851 1.00 67.51 H ATOM 393 HD1 HIS A 424 0.185 -6.118 7.274 1.00 71.27 H ATOM 394 HD2 HIS A 424 1.241 -6.471 3.542 1.00 70.54 H ATOM 395 HE1 HIS A 424 2.489 -6.645 7.295 1.00 73.08 H ATOM 396 N THR A 425 -4.283 -6.290 4.662 1.00 56.18 N ANISOU 396 N THR A 425 7437 5067 8844 -498 704 288 N ATOM 397 CA THR A 425 -5.607 -5.805 4.290 1.00 50.09 C ANISOU 397 CA THR A 425 6699 3957 8378 -273 698 616 C ATOM 398 C THR A 425 -6.674 -6.185 5.307 1.00 45.27 C ANISOU 398 C THR A 425 6012 3351 7838 39 747 471 C ATOM 399 O THR A 425 -7.711 -5.518 5.375 1.00 47.19 O ANISOU 399 O THR A 425 6247 3246 8436 250 817 618 O ATOM 400 CB THR A 425 -6.005 -6.350 2.916 1.00 45.76 C ANISOU 400 CB THR A 425 6124 3584 7677 -262 516 1084 C ATOM 401 OG1 THR A 425 -6.092 -7.779 2.973 1.00 40.92 O ANISOU 401 OG1 THR A 425 5413 3413 6723 -191 400 1007 O ATOM 402 CG2 THR A 425 -4.987 -5.952 1.862 1.00 45.77 C ANISOU 402 CG2 THR A 425 6211 3614 7564 -562 520 1270 C ATOM 403 H THR A 425 -3.979 -6.915 4.156 1.00 67.61 H ATOM 404 HA THR A 425 -5.582 -4.837 4.232 1.00 60.31 H ATOM 405 HB THR A 425 -6.867 -5.985 2.662 1.00 55.10 H ATOM 406 HG1 THR A 425 -6.310 -8.084 2.221 1.00 49.30 H ATOM 407 HG21 THR A 425 -5.287 -6.241 0.986 1.00 53.95 H ATOM 408 HG22 THR A 425 -4.877 -4.988 1.855 1.00 53.95 H ATOM 409 HG23 THR A 425 -4.131 -6.365 2.054 1.00 53.95 H ATOM 410 N GLY A 426 -6.445 -7.234 6.094 1.00 51.33 N ANISOU 410 N GLY A 426 6709 4503 8291 90 734 218 N ATOM 411 CA GLY A 426 -7.451 -7.724 7.013 1.00 48.36 C ANISOU 411 CA GLY A 426 6253 4188 7934 367 811 141 C ATOM 412 C GLY A 426 -8.543 -8.545 6.372 1.00 44.89 C ANISOU 412 C GLY A 426 5677 3851 7527 525 689 503 C ATOM 413 O GLY A 426 -9.574 -8.780 7.012 1.00 41.31 O ANISOU 413 O GLY A 426 5114 3380 7203 752 784 515 O ATOM 414 H GLY A 426 -5.709 -7.678 6.110 1.00 61.79 H ATOM 415 HA2 GLY A 426 -7.021 -8.272 7.688 1.00 58.23 H ATOM 416 HA3 GLY A 426 -7.866 -6.969 7.458 1.00 58.23 H ATOM 417 N GLU A 427 -8.352 -8.990 5.133 1.00 59.82 N ANISOU 417 N GLU A 427 7560 5872 9297 392 491 776 N ATOM 418 CA GLU A 427 -9.359 -9.783 4.446 1.00 63.71 C ANISOU 418 CA GLU A 427 7918 6489 9801 482 326 1073 C ATOM 419 C GLU A 427 -9.389 -11.204 4.998 1.00 55.45 C ANISOU 419 C GLU A 427 6797 5747 8524 517 326 935 C ATOM 420 O GLU A 427 -8.365 -11.759 5.406 1.00 55.91 O ANISOU 420 O GLU A 427 6928 6003 8312 433 368 710 O ATOM 421 CB GLU A 427 -9.073 -9.811 2.944 1.00 69.77 C ANISOU 421 CB GLU A 427 8739 7344 10427 305 113 1353 C ATOM 422 CG GLU A 427 -10.281 -10.125 2.072 1.00 72.47 C ANISOU 422 CG GLU A 427 8938 7739 10857 385 -111 1701 C ATOM 423 CD GLU A 427 -11.131 -8.901 1.781 1.00 75.29 C ANISOU 423 CD GLU A 427 9233 7776 11596 545 -135 2020 C ATOM 424 OE1 GLU A 427 -11.653 -8.293 2.738 1.00 76.23 O ANISOU 424 OE1 GLU A 427 9283 7627 12055 752 59 1926 O ATOM 425 OE2 GLU A 427 -11.268 -8.542 0.592 1.00 77.29 O ANISOU 425 OE2 GLU A 427 9515 8052 11800 483 -336 2375 O ATOM 426 H GLU A 427 -7.643 -8.845 4.668 1.00 71.98 H ATOM 427 HA GLU A 427 -10.232 -9.383 4.584 1.00 76.65 H ATOM 428 HB2 GLU A 427 -8.736 -8.941 2.677 1.00 83.92 H ATOM 429 HB3 GLU A 427 -8.401 -10.488 2.769 1.00 83.92 H ATOM 430 HG2 GLU A 427 -9.975 -10.485 1.225 1.00 87.15 H ATOM 431 HG3 GLU A 427 -10.838 -10.776 2.527 1.00 87.15 H ATOM 432 N LYS A 428 -10.584 -11.792 5.009 1.00 39.88 N ANISOU 432 N LYS A 428 4654 3799 6698 644 280 1099 N ATOM 433 CA LYS A 428 -10.786 -13.150 5.519 1.00 36.17 C ANISOU 433 CA LYS A 428 4108 3538 6097 669 308 1032 C ATOM 434 C LYS A 428 -11.955 -13.779 4.780 1.00 34.63 C ANISOU 434 C LYS A 428 3719 3374 6064 658 132 1280 C ATOM 435 O LYS A 428 -13.060 -13.914 5.320 1.00 35.95 O ANISOU 435 O LYS A 428 3680 3493 6486 794 219 1373 O ATOM 436 CB LYS A 428 -11.039 -13.142 7.028 1.00 35.38 C ANISOU 436 CB LYS A 428 3974 3431 6037 853 576 865 C ATOM 437 CG LYS A 428 -9.821 -12.779 7.868 1.00 35.10 C ANISOU 437 CG LYS A 428 4112 3472 5753 831 699 559 C ATOM 438 CD LYS A 428 -10.174 -12.670 9.341 1.00 38.72 C ANISOU 438 CD LYS A 428 4559 3970 6183 1018 957 389 C ATOM 439 CE LYS A 428 -8.930 -12.649 10.208 1.00 38.52 C ANISOU 439 CE LYS A 428 4679 4153 5806 976 1005 84 C ATOM 440 NZ LYS A 428 -7.960 -11.614 9.764 1.00 40.16 N ANISOU 440 NZ LYS A 428 4992 4244 6021 798 921 -96 N ATOM 441 H LYS A 428 -11.305 -11.420 4.722 1.00 48.04 H ATOM 442 HA LYS A 428 -9.992 -13.680 5.350 1.00 43.60 H ATOM 443 HB2 LYS A 428 -11.735 -12.495 7.223 1.00 42.65 H ATOM 444 HB3 LYS A 428 -11.330 -14.027 7.298 1.00 42.65 H ATOM 445 HG2 LYS A 428 -9.144 -13.466 7.766 1.00 42.31 H ATOM 446 HG3 LYS A 428 -9.475 -11.921 7.580 1.00 42.31 H ATOM 447 HD2 LYS A 428 -10.665 -11.847 9.493 1.00 46.66 H ATOM 448 HD3 LYS A 428 -10.712 -13.435 9.599 1.00 46.66 H ATOM 449 HE2 LYS A 428 -9.183 -12.453 11.124 1.00 46.42 H ATOM 450 HE3 LYS A 428 -8.493 -13.514 10.159 1.00 46.42 H ATOM 451 HZ1 LYS A 428 -7.266 -11.589 10.321 1.00 48.38 H ATOM 452 HZ2 LYS A 428 -7.666 -11.802 8.945 1.00 48.38 H ATOM 453 HZ3 LYS A 428 -8.351 -10.815 9.755 1.00 48.38 H ATOM 454 N PRO A 429 -11.746 -14.193 3.525 1.00 35.25 N ANISOU 454 N PRO A 429 3841 3566 5987 477 -117 1374 N ATOM 455 CA PRO A 429 -12.870 -14.695 2.717 1.00 41.16 C ANISOU 455 CA PRO A 429 4392 4379 6867 420 -353 1580 C ATOM 456 C PRO A 429 -13.467 -15.995 3.226 1.00 43.12 C ANISOU 456 C PRO A 429 4495 4687 7202 396 -304 1516 C ATOM 457 O PRO A 429 -14.573 -16.352 2.800 1.00 46.59 O ANISOU 457 O PRO A 429 4696 5162 7846 344 -470 1666 O ATOM 458 CB PRO A 429 -12.249 -14.892 1.324 1.00 39.56 C ANISOU 458 CB PRO A 429 4345 4338 6348 207 -599 1603 C ATOM 459 CG PRO A 429 -10.922 -14.197 1.364 1.00 36.60 C ANISOU 459 CG PRO A 429 4204 3934 5770 179 -462 1493 C ATOM 460 CD PRO A 429 -10.476 -14.241 2.784 1.00 33.35 C ANISOU 460 CD PRO A 429 3813 3439 5421 306 -186 1273 C ATOM 461 HA PRO A 429 -13.568 -14.024 2.662 1.00 49.58 H ATOM 462 HB2 PRO A 429 -12.132 -15.839 1.152 1.00 47.67 H ATOM 463 HB3 PRO A 429 -12.823 -14.491 0.653 1.00 47.67 H ATOM 464 HG2 PRO A 429 -10.293 -14.667 0.795 1.00 44.12 H ATOM 465 HG3 PRO A 429 -11.028 -13.279 1.069 1.00 44.12 H ATOM 466 HD2 PRO A 429 -10.007 -15.070 2.967 1.00 40.10 H ATOM 467 HD3 PRO A 429 -9.929 -13.467 2.989 1.00 40.10 H ATOM 468 N TYR A 430 -12.784 -16.708 4.116 1.00 36.70 N ANISOU 468 N TYR A 430 3799 3887 6257 424 -90 1327 N ATOM 469 CA TYR A 430 -13.200 -18.040 4.551 1.00 35.73 C ANISOU 469 CA TYR A 430 3590 3773 6214 381 -17 1305 C ATOM 470 C TYR A 430 -13.955 -17.911 5.871 1.00 36.22 C ANISOU 470 C TYR A 430 3486 3774 6503 569 263 1386 C ATOM 471 O TYR A 430 -13.350 -17.781 6.939 1.00 34.37 O ANISOU 471 O TYR A 430 3376 3561 6121 713 502 1286 O ATOM 472 CB TYR A 430 -11.984 -18.951 4.669 1.00 37.16 C ANISOU 472 CB TYR A 430 4000 4001 6118 337 52 1116 C ATOM 473 CG TYR A 430 -11.223 -19.065 3.369 1.00 37.29 C ANISOU 473 CG TYR A 430 4173 4103 5893 168 -159 1006 C ATOM 474 CD1 TYR A 430 -11.589 -19.999 2.411 1.00 38.68 C ANISOU 474 CD1 TYR A 430 4338 4289 6068 -24 -343 956 C ATOM 475 CD2 TYR A 430 -10.153 -18.227 3.091 1.00 37.99 C ANISOU 475 CD2 TYR A 430 4416 4271 5749 178 -155 932 C ATOM 476 CE1 TYR A 430 -10.906 -20.103 1.217 1.00 40.74 C ANISOU 476 CE1 TYR A 430 4764 4671 6046 -171 -500 824 C ATOM 477 CE2 TYR A 430 -9.461 -18.324 1.897 1.00 40.45 C ANISOU 477 CE2 TYR A 430 4861 4697 5811 25 -293 852 C ATOM 478 CZ TYR A 430 -9.842 -19.265 0.964 1.00 42.60 C ANISOU 478 CZ TYR A 430 5145 5011 6030 -134 -457 793 C ATOM 479 OH TYR A 430 -9.159 -19.368 -0.226 1.00 44.93 O ANISOU 479 OH TYR A 430 5596 5461 6016 -278 -561 681 O ATOM 480 H TYR A 430 -12.059 -16.437 4.491 1.00 44.23 H ATOM 481 HA TYR A 430 -13.802 -18.421 3.892 1.00 43.07 H ATOM 482 HB2 TYR A 430 -11.382 -18.592 5.340 1.00 44.79 H ATOM 483 HB3 TYR A 430 -12.276 -19.840 4.925 1.00 44.79 H ATOM 484 HD1 TYR A 430 -12.306 -20.567 2.578 1.00 46.61 H ATOM 485 HD2 TYR A 430 -9.894 -17.592 3.719 1.00 45.78 H ATOM 486 HE1 TYR A 430 -11.161 -20.737 0.587 1.00 49.08 H ATOM 487 HE2 TYR A 430 -8.743 -17.759 1.725 1.00 48.73 H ATOM 488 HH TYR A 430 -9.494 -19.976 -0.698 1.00 54.11 H ATOM 489 N HIS A 431 -15.282 -17.956 5.789 1.00 40.77 N ANISOU 489 N HIS A 431 4921 4160 6408 -413 -951 467 N ATOM 490 CA HIS A 431 -16.156 -17.778 6.938 1.00 40.19 C ANISOU 490 CA HIS A 431 4802 3904 6565 -158 -745 437 C ATOM 491 C HIS A 431 -16.654 -19.126 7.445 1.00 39.33 C ANISOU 491 C HIS A 431 4485 3948 6510 -104 -645 387 C ATOM 492 O HIS A 431 -16.900 -20.050 6.667 1.00 40.41 O ANISOU 492 O HIS A 431 4452 4245 6657 -217 -811 441 O ATOM 493 CB HIS A 431 -17.359 -16.904 6.577 1.00 41.48 C ANISOU 493 CB HIS A 431 4850 3876 7035 29 -795 664 C ATOM 494 CG HIS A 431 -17.008 -15.677 5.795 1.00 42.05 C ANISOU 494 CG HIS A 431 5085 3787 7104 -52 -964 802 C ATOM 495 ND1 HIS A 431 -17.817 -15.176 4.798 1.00 44.49 N ANISOU 495 ND1 HIS A 431 5258 4049 7599 -13 -1161 1084 N ATOM 496 CD2 HIS A 431 -15.942 -14.845 5.868 1.00 42.54 C ANISOU 496 CD2 HIS A 431 5420 3716 7027 -187 -988 737 C ATOM 497 CE1 HIS A 431 -17.262 -14.091 4.287 1.00 47.01 C ANISOU 497 CE1 HIS A 431 5772 4207 7881 -110 -1280 1201 C ATOM 498 NE2 HIS A 431 -16.124 -13.869 4.919 1.00 45.20 N ANISOU 498 NE2 HIS A 431 5786 3915 7474 -230 -1179 996 N ATOM 499 H HIS A 431 -15.709 -18.093 5.055 1.00 49.11 H ATOM 500 HA HIS A 431 -15.666 -17.343 7.653 1.00 48.43 H ATOM 501 HB2 HIS A 431 -17.976 -17.428 6.043 1.00 49.97 H ATOM 502 HB3 HIS A 431 -17.794 -16.619 7.396 1.00 49.97 H ATOM 503 HD2 HIS A 431 -15.221 -14.922 6.450 1.00 51.24 H ATOM 504 HE1 HIS A 431 -17.613 -13.572 3.600 1.00 56.60 H ATOM 505 HE2 HIS A 431 -15.584 -13.218 4.762 1.00 54.44 H ATOM 506 N CYS A 432 -16.806 -19.226 8.764 1.00 35.02 N ANISOU 506 N CYS A 432 3974 3342 5990 67 -384 287 N ATOM 507 CA CYS A 432 -17.416 -20.393 9.389 1.00 34.27 C ANISOU 507 CA CYS A 432 3659 3363 6000 139 -250 319 C ATOM 508 C CYS A 432 -18.928 -20.202 9.422 1.00 37.55 C ANISOU 508 C CYS A 432 3784 3710 6774 352 -171 555 C ATOM 509 O CYS A 432 -19.425 -19.246 10.029 1.00 40.48 O ANISOU 509 O CYS A 432 4206 3929 7244 609 28 582 O ATOM 510 CB CYS A 432 -16.871 -20.604 10.801 1.00 32.34 C ANISOU 510 CB CYS A 432 3580 3137 5570 231 7 153 C ATOM 511 SG CYS A 432 -17.677 -21.952 11.699 1.00 32.84 S ANISOU 511 SG CYS A 432 3365 3337 5776 335 218 280 S ATOM 512 H CYS A 432 -16.560 -18.622 9.324 1.00 42.22 H ATOM 513 HA CYS A 432 -17.219 -21.183 8.863 1.00 41.32 H ATOM 514 HB2 CYS A 432 -15.925 -20.810 10.743 1.00 38.83 H ATOM 515 HB3 CYS A 432 -17.000 -19.789 11.311 1.00 38.83 H ATOM 516 N ASP A 433 -19.656 -21.113 8.778 1.00 39.81 N ANISOU 516 N ASP A 433 3761 4097 7268 255 -338 724 N ATOM 517 CA ASP A 433 -21.099 -20.988 8.622 1.00 42.28 C ANISOU 517 CA ASP A 433 3714 4374 7975 406 -335 1009 C ATOM 518 C ASP A 433 -21.879 -21.624 9.769 1.00 42.92 C ANISOU 518 C ASP A 433 3536 4515 8258 577 -22 1141 C ATOM 519 O ASP A 433 -23.075 -21.895 9.613 1.00 44.37 O ANISOU 519 O ASP A 433 3316 4726 8818 638 -44 1429 O ATOM 520 CB ASP A 433 -21.536 -21.604 7.289 1.00 44.25 C ANISOU 520 CB ASP A 433 3752 4696 8364 179 -745 1147 C ATOM 521 CG ASP A 433 -21.505 -23.121 7.305 1.00 43.73 C ANISOU 521 CG ASP A 433 3552 4731 8332 -19 -854 1113 C ATOM 522 OD1 ASP A 433 -20.815 -23.702 8.169 1.00 42.40 O ANISOU 522 OD1 ASP A 433 3517 4596 7998 -26 -650 959 O ATOM 523 OD2 ASP A 433 -22.171 -23.736 6.445 1.00 46.87 O ANISOU 523 OD2 ASP A 433 3724 5154 8933 -174 -1180 1245 O ATOM 524 H ASP A 433 -19.330 -21.823 8.418 1.00 47.97 H ATOM 525 HA ASP A 433 -21.327 -20.046 8.599 1.00 50.93 H ATOM 526 HB2 ASP A 433 -22.444 -21.325 7.094 1.00 53.29 H ATOM 527 HB3 ASP A 433 -20.938 -21.299 6.589 1.00 53.29 H ATOM 528 N TRP A 434 -21.240 -21.862 10.912 1.00 46.68 N ANISOU 528 N TRP A 434 4212 5032 8493 648 259 977 N ATOM 529 CA TRP A 434 -21.931 -22.482 12.032 1.00 56.28 C ANISOU 529 CA TRP A 434 5196 6346 9841 812 588 1142 C ATOM 530 C TRP A 434 -22.968 -21.513 12.602 1.00 63.71 C ANISOU 530 C TRP A 434 5991 7240 10976 1198 912 1300 C ATOM 531 O TRP A 434 -23.083 -20.359 12.181 1.00 68.06 O ANISOU 531 O TRP A 434 6658 7636 11566 1341 862 1251 O ATOM 532 CB TRP A 434 -20.928 -22.924 13.097 1.00 55.79 C ANISOU 532 CB TRP A 434 5426 6361 9410 802 783 935 C ATOM 533 CG TRP A 434 -21.439 -24.043 13.963 1.00 54.26 C ANISOU 533 CG TRP A 434 4973 6311 9333 826 1001 1157 C ATOM 534 CD1 TRP A 434 -21.818 -23.961 15.272 1.00 56.21 C ANISOU 534 CD1 TRP A 434 5206 6667 9486 1099 1433 1252 C ATOM 535 CD2 TRP A 434 -21.642 -25.408 13.572 1.00 51.76 C ANISOU 535 CD2 TRP A 434 4382 6031 9251 565 794 1331 C ATOM 536 NE1 TRP A 434 -22.238 -25.190 15.721 1.00 56.79 N ANISOU 536 NE1 TRP A 434 4982 6868 9729 1008 1522 1530 N ATOM 537 CE2 TRP A 434 -22.140 -26.095 14.697 1.00 52.84 C ANISOU 537 CE2 TRP A 434 4319 6291 9465 670 1115 1578 C ATOM 538 CE3 TRP A 434 -21.447 -26.116 12.382 1.00 47.77 C ANISOU 538 CE3 TRP A 434 3810 5457 8884 262 363 1294 C ATOM 539 CZ2 TRP A 434 -22.445 -27.455 14.667 1.00 51.40 C ANISOU 539 CZ2 TRP A 434 3853 6121 9556 449 993 1818 C ATOM 540 CZ3 TRP A 434 -21.751 -27.466 12.354 1.00 47.26 C ANISOU 540 CZ3 TRP A 434 3504 5384 9069 66 230 1467 C ATOM 541 CH2 TRP A 434 -22.244 -28.120 13.489 1.00 48.95 C ANISOU 541 CH2 TRP A 434 3502 5678 9418 144 532 1741 C ATOM 542 H TRP A 434 -20.414 -21.675 11.062 1.00 56.21 H ATOM 543 HA TRP A 434 -22.400 -23.271 11.716 1.00 67.73 H ATOM 544 HB2 TRP A 434 -20.119 -23.231 12.659 1.00 67.14 H ATOM 545 HB3 TRP A 434 -20.726 -22.169 13.672 1.00 67.14 H ATOM 546 HD1 TRP A 434 -21.795 -23.186 15.785 1.00 67.65 H ATOM 547 HE1 TRP A 434 -22.517 -25.363 16.516 1.00 68.34 H ATOM 548 HE3 TRP A 434 -21.120 -25.688 11.624 1.00 57.52 H ATOM 549 HZ2 TRP A 434 -22.772 -27.893 15.419 1.00 61.87 H ATOM 550 HZ3 TRP A 434 -21.626 -27.947 11.568 1.00 56.91 H ATOM 551 HH2 TRP A 434 -22.439 -29.028 13.441 1.00 58.93 H ATOM 552 N ASP A 435 -23.738 -21.997 13.579 1.00 93.50 N ANISOU 552 N ASP A 435 9495 11149 14883 1390 1265 1515 N ATOM 553 CA ASP A 435 -24.869 -21.232 14.097 1.00101.15 C ANISOU 553 CA ASP A 435 10228 12121 16083 1802 1622 1717 C ATOM 554 C ASP A 435 -24.432 -19.854 14.586 1.00 98.67 C ANISOU 554 C ASP A 435 10371 11636 15484 2118 1821 1408 C ATOM 555 O ASP A 435 -24.847 -18.826 14.037 1.00102.91 O ANISOU 555 O ASP A 435 10900 11989 16214 2290 1750 1427 O ATOM 556 CB ASP A 435 -25.550 -22.013 15.223 1.00103.25 C ANISOU 556 CB ASP A 435 10270 12615 16345 1903 1997 1952 C ATOM 557 CG ASP A 435 -26.108 -23.344 14.756 1.00105.09 C ANISOU 557 CG ASP A 435 10127 12937 16866 1536 1741 2262 C ATOM 558 OD1 ASP A 435 -25.503 -23.960 13.854 1.00102.95 O ANISOU 558 OD1 ASP A 435 9849 12591 16676 1208 1333 2186 O ATOM 559 OD2 ASP A 435 -27.153 -23.773 15.291 1.00110.44 O ANISOU 559 OD2 ASP A 435 10544 13736 17683 1579 1931 2571 O ATOM 560 H ASP A 435 -23.634 -22.763 13.952 1.00112.40 H ATOM 561 HA ASP A 435 -25.516 -21.106 13.386 1.00121.57 H ATOM 562 HB2 ASP A 435 -24.902 -22.188 15.923 1.00124.09 H ATOM 563 HB3 ASP A 435 -26.285 -21.486 15.574 1.00124.09 H ATOM 564 N GLY A 436 -23.593 -19.813 15.619 1.00 66.74 N ANISOU 564 N GLY A 436 6742 7625 10993 2191 2035 1126 N ATOM 565 CA GLY A 436 -23.195 -18.552 16.217 1.00 66.96 C ANISOU 565 CA GLY A 436 7242 7460 10740 2487 2206 800 C ATOM 566 C GLY A 436 -21.700 -18.416 16.420 1.00 58.99 C ANISOU 566 C GLY A 436 6768 6367 9280 2247 2000 416 C ATOM 567 O GLY A 436 -21.252 -17.787 17.384 1.00 57.80 O ANISOU 567 O GLY A 436 7040 6141 8782 2455 2189 129 O ATOM 568 H GLY A 436 -23.242 -20.505 15.989 1.00 80.29 H ATOM 569 HA2 GLY A 436 -23.488 -17.818 15.655 1.00 80.55 H ATOM 570 HA3 GLY A 436 -23.626 -18.461 17.081 1.00 80.55 H ATOM 571 N CYS A 437 -20.915 -18.998 15.514 1.00 50.57 N ANISOU 571 N CYS A 437 5685 5318 8210 1818 1605 405 N ATOM 572 CA CYS A 437 -19.463 -18.949 15.642 1.00 53.00 C ANISOU 572 CA CYS A 437 6411 5587 8141 1570 1401 101 C ATOM 573 C CYS A 437 -18.914 -17.602 15.180 1.00 52.07 C ANISOU 573 C CYS A 437 6635 5168 7982 1555 1203 -111 C ATOM 574 O CYS A 437 -18.260 -16.888 15.948 1.00 54.75 O ANISOU 574 O CYS A 437 7396 5368 8039 1638 1250 -395 O ATOM 575 CB CYS A 437 -18.832 -20.091 14.844 1.00 51.86 C ANISOU 575 CB CYS A 437 6101 5587 8015 1169 1099 177 C ATOM 576 SG CYS A 437 -17.039 -20.146 14.963 1.00 49.06 S ANISOU 576 SG CYS A 437 6145 5242 7252 877 869 -126 S ATOM 577 H CYS A 437 -21.197 -19.424 14.822 1.00 60.87 H ATOM 578 HA CYS A 437 -19.224 -19.067 16.575 1.00 63.80 H ATOM 579 HB2 CYS A 437 -19.178 -20.934 15.176 1.00 62.42 H ATOM 580 HB3 CYS A 437 -19.065 -19.985 13.908 1.00 62.42 H ATOM 581 N GLY A 438 -19.172 -17.242 13.923 1.00 58.63 N ANISOU 581 N GLY A 438 7299 5884 9091 1432 950 40 N ATOM 582 CA GLY A 438 -18.722 -15.977 13.383 1.00 55.63 C ANISOU 582 CA GLY A 438 7199 5204 8733 1394 748 -73 C ATOM 583 C GLY A 438 -17.240 -15.884 13.099 1.00 46.97 C ANISOU 583 C GLY A 438 6390 4085 7373 1031 472 -254 C ATOM 584 O GLY A 438 -16.769 -14.805 12.723 1.00 47.79 O ANISOU 584 O GLY A 438 6737 3921 7499 959 295 -324 O ATOM 585 H GLY A 438 -19.612 -17.724 13.362 1.00 70.54 H ATOM 586 HA2 GLY A 438 -19.195 -15.805 12.554 1.00 66.94 H ATOM 587 HA3 GLY A 438 -18.949 -15.271 14.008 1.00 66.94 H ATOM 588 N TRP A 439 -16.488 -16.968 13.264 1.00 41.74 N ANISOU 588 N TRP A 439 5683 3681 6494 802 427 -302 N ATOM 589 CA TRP A 439 -15.063 -16.936 12.970 1.00 40.75 C ANISOU 589 CA TRP A 439 5754 3580 6149 471 184 -432 C ATOM 590 C TRP A 439 -14.822 -16.806 11.472 1.00 38.02 C ANISOU 590 C TRP A 439 5269 3249 5929 226 -85 -261 C ATOM 591 O TRP A 439 -15.588 -17.311 10.646 1.00 39.61 O ANISOU 591 O TRP A 439 5182 3557 6309 233 -131 -63 O ATOM 592 CB TRP A 439 -14.372 -18.195 13.494 1.00 36.84 C ANISOU 592 CB TRP A 439 5203 3366 5428 337 215 -494 C ATOM 593 CG TRP A 439 -13.782 -18.027 14.859 1.00 36.10 C ANISOU 593 CG TRP A 439 5414 3256 5045 415 322 -720 C ATOM 594 CD1 TRP A 439 -14.361 -18.350 16.052 1.00 37.29 C ANISOU 594 CD1 TRP A 439 5614 3483 5073 681 604 -764 C ATOM 595 CD2 TRP A 439 -12.491 -17.491 15.172 1.00 35.75 C ANISOU 595 CD2 TRP A 439 5669 3136 4780 212 127 -914 C ATOM 596 NE1 TRP A 439 -13.510 -18.049 17.087 1.00 38.55 N ANISOU 596 NE1 TRP A 439 6127 3622 4898 669 581 -1004 N ATOM 597 CE2 TRP A 439 -12.355 -17.520 16.574 1.00 37.63 C ANISOU 597 CE2 TRP A 439 6159 3397 4741 369 265 -1103 C ATOM 598 CE3 TRP A 439 -11.436 -16.991 14.403 1.00 35.10 C ANISOU 598 CE3 TRP A 439 5644 2987 4705 -96 -155 -917 C ATOM 599 CZ2 TRP A 439 -11.209 -17.068 17.222 1.00 38.76 C ANISOU 599 CZ2 TRP A 439 6622 3475 4628 209 73 -1318 C ATOM 600 CZ3 TRP A 439 -10.297 -16.542 15.050 1.00 36.11 C ANISOU 600 CZ3 TRP A 439 6040 3049 4630 -265 -320 -1095 C ATOM 601 CH2 TRP A 439 -10.193 -16.584 16.444 1.00 37.95 C ANISOU 601 CH2 TRP A 439 6535 3284 4602 -121 -234 -1307 C ATOM 602 H TRP A 439 -16.778 -17.728 13.543 1.00 50.28 H ATOM 603 HA TRP A 439 -14.665 -16.168 13.408 1.00 49.09 H ATOM 604 HB2 TRP A 439 -15.017 -18.917 13.532 1.00 44.40 H ATOM 605 HB3 TRP A 439 -13.652 -18.430 12.888 1.00 44.40 H ATOM 606 HD1 TRP A 439 -15.208 -18.719 16.152 1.00 44.77 H ATOM 607 HE1 TRP A 439 -13.676 -18.172 17.922 1.00 45.69 H ATOM 608 HE3 TRP A 439 -11.498 -16.960 13.476 1.00 42.31 H ATOM 609 HZ2 TRP A 439 -11.136 -17.095 18.149 1.00 45.94 H ATOM 610 HZ3 TRP A 439 -9.589 -16.207 14.549 1.00 42.79 H ATOM 611 HH2 TRP A 439 -9.416 -16.275 16.851 1.00 44.98 H ATOM 612 N LYS A 440 -13.739 -16.116 11.129 1.00 35.31 N ANISOU 612 N LYS A 440 5132 2808 5476 -4 -279 -322 N ATOM 613 CA LYS A 440 -13.309 -15.961 9.749 1.00 34.54 C ANISOU 613 CA LYS A 440 4934 2777 5412 -251 -506 -143 C ATOM 614 C LYS A 440 -11.803 -16.162 9.690 1.00 33.18 C ANISOU 614 C LYS A 440 4847 2753 5009 -548 -624 -221 C ATOM 615 O LYS A 440 -11.084 -15.862 10.647 1.00 33.81 O ANISOU 615 O LYS A 440 5136 2741 4969 -590 -618 -399 O ATOM 616 CB LYS A 440 -13.684 -14.583 9.186 1.00 37.30 C ANISOU 616 CB LYS A 440 5395 2809 5967 -214 -621 -5 C ATOM 617 CG LYS A 440 -15.177 -14.289 9.196 1.00 40.98 C ANISOU 617 CG LYS A 440 5735 3124 6712 113 -510 111 C ATOM 618 CD LYS A 440 -15.474 -12.929 8.581 1.00 46.59 C ANISOU 618 CD LYS A 440 6557 3495 7651 156 -652 277 C ATOM 619 CE LYS A 440 -16.968 -12.667 8.486 1.00 50.65 C ANISOU 619 CE LYS A 440 6877 3885 8482 502 -556 441 C ATOM 620 NZ LYS A 440 -17.259 -11.363 7.823 1.00 55.10 N ANISOU 620 NZ LYS A 440 7537 4101 9299 559 -722 643 N ATOM 621 H LYS A 440 -13.226 -15.720 11.694 1.00 42.19 H ATOM 622 HA LYS A 440 -13.730 -16.641 9.200 1.00 41.26 H ATOM 623 HB2 LYS A 440 -13.245 -13.900 9.717 1.00 44.57 H ATOM 624 HB3 LYS A 440 -13.379 -14.529 8.267 1.00 44.57 H ATOM 625 HG2 LYS A 440 -15.641 -14.966 8.680 1.00 49.37 H ATOM 626 HG3 LYS A 440 -15.497 -14.286 10.112 1.00 49.37 H ATOM 627 HD2 LYS A 440 -15.080 -12.237 9.135 1.00 56.10 H ATOM 628 HD3 LYS A 440 -15.101 -12.893 7.686 1.00 56.10 H ATOM 629 HE2 LYS A 440 -17.383 -13.372 7.965 1.00 60.97 H ATOM 630 HE3 LYS A 440 -17.346 -12.644 9.379 1.00 60.97 H ATOM 631 HZ1 LYS A 440 -18.138 -11.234 7.780 1.00 66.32 H ATOM 632 HZ2 LYS A 440 -16.891 -10.698 8.286 1.00 66.32 H ATOM 633 HZ3 LYS A 440 -16.925 -11.360 6.998 1.00 66.32 H ATOM 634 N PHE A 441 -11.331 -16.677 8.558 1.00 37.24 N ANISOU 634 N PHE A 441 5191 3511 5447 -740 -737 -85 N ATOM 635 CA PHE A 441 -9.927 -17.014 8.392 1.00 36.14 C ANISOU 635 CA PHE A 441 5043 3583 5106 -985 -805 -115 C ATOM 636 C PHE A 441 -9.426 -16.511 7.047 1.00 35.12 C ANISOU 636 C PHE A 441 4854 3547 4945 -1191 -943 111 C ATOM 637 O PHE A 441 -10.185 -16.404 6.079 1.00 36.22 O ANISOU 637 O PHE A 441 4913 3705 5144 -1143 -997 277 O ATOM 638 CB PHE A 441 -9.710 -18.529 8.511 1.00 35.32 C ANISOU 638 CB PHE A 441 4771 3779 4871 -953 -722 -210 C ATOM 639 CG PHE A 441 -10.083 -19.086 9.856 1.00 36.87 C ANISOU 639 CG PHE A 441 5013 3926 5069 -778 -579 -370 C ATOM 640 CD1 PHE A 441 -11.364 -19.552 10.097 1.00 36.64 C ANISOU 640 CD1 PHE A 441 4886 3853 5182 -564 -460 -346 C ATOM 641 CD2 PHE A 441 -9.156 -19.132 10.883 1.00 37.43 C ANISOU 641 CD2 PHE A 441 5207 4019 4996 -837 -570 -506 C ATOM 642 CE1 PHE A 441 -11.711 -20.060 11.335 1.00 35.50 C ANISOU 642 CE1 PHE A 441 4769 3703 5017 -401 -291 -436 C ATOM 643 CE2 PHE A 441 -9.497 -19.639 12.123 1.00 36.19 C ANISOU 643 CE2 PHE A 441 5114 3854 4783 -669 -434 -622 C ATOM 644 CZ PHE A 441 -10.777 -20.103 12.348 1.00 35.28 C ANISOU 644 CZ PHE A 441 4904 3711 4790 -445 -271 -578 C ATOM 645 H PHE A 441 -11.813 -16.841 7.865 1.00 44.88 H ATOM 646 HA PHE A 441 -9.408 -16.580 9.087 1.00 43.56 H ATOM 647 HB2 PHE A 441 -10.253 -18.977 7.843 1.00 42.58 H ATOM 648 HB3 PHE A 441 -8.772 -18.724 8.358 1.00 42.58 H ATOM 649 HD1 PHE A 441 -11.998 -19.525 9.417 1.00 44.16 H ATOM 650 HD2 PHE A 441 -8.292 -18.821 10.736 1.00 45.11 H ATOM 651 HE1 PHE A 441 -12.574 -20.372 11.484 1.00 42.80 H ATOM 652 HE2 PHE A 441 -8.865 -19.667 12.805 1.00 43.62 H ATOM 653 HZ PHE A 441 -11.009 -20.445 13.181 1.00 42.53 H ATOM 654 N ALA A 442 -8.127 -16.202 7.001 1.00 36.10 N ANISOU 654 N ALA A 442 4999 3754 4966 -1429 -1009 150 N ATOM 655 CA ALA A 442 -7.518 -15.666 5.790 1.00 39.07 C ANISOU 655 CA ALA A 442 5301 4255 5289 -1644 -1102 420 C ATOM 656 C ALA A 442 -7.264 -16.744 4.745 1.00 41.32 C ANISOU 656 C ALA A 442 5386 4967 5346 -1640 -1038 474 C ATOM 657 O ALA A 442 -7.219 -16.438 3.548 1.00 43.41 O ANISOU 657 O ALA A 442 5598 5380 5514 -1723 -1085 707 O ATOM 658 CB ALA A 442 -6.206 -14.960 6.133 1.00 39.37 C ANISOU 658 CB ALA A 442 5379 4242 5338 -1920 -1191 488 C ATOM 659 H ALA A 442 -7.581 -16.295 7.659 1.00 43.52 H ATOM 660 HA ALA A 442 -8.117 -15.010 5.401 1.00 47.08 H ATOM 661 HB1 ALA A 442 -5.814 -14.610 5.318 1.00 47.44 H ATOM 662 HB2 ALA A 442 -6.390 -14.235 6.750 1.00 47.44 H ATOM 663 HB3 ALA A 442 -5.602 -15.599 6.543 1.00 47.44 H ATOM 664 N ARG A 443 -7.098 -17.997 5.166 1.00 37.70 N ANISOU 664 N ARG A 443 4840 4700 4783 -1530 -939 263 N ATOM 665 CA ARG A 443 -6.791 -19.099 4.263 1.00 36.25 C ANISOU 665 CA ARG A 443 4514 4878 4383 -1488 -882 241 C ATOM 666 C ARG A 443 -7.738 -20.264 4.543 1.00 32.03 C ANISOU 666 C ARG A 443 3958 4321 3892 -1278 -856 38 C ATOM 667 O ARG A 443 -8.576 -20.214 5.449 1.00 29.99 O ANISOU 667 O ARG A 443 3751 3822 3823 -1172 -845 -40 O ATOM 668 CB ARG A 443 -5.317 -19.518 4.390 1.00 35.88 C ANISOU 668 CB ARG A 443 4341 5095 4195 -1590 -798 227 C ATOM 669 CG ARG A 443 -4.712 -19.306 5.770 1.00 34.80 C ANISOU 669 CG ARG A 443 4237 4805 4180 -1660 -814 131 C ATOM 670 CD ARG A 443 -3.206 -19.525 5.766 1.00 34.74 C ANISOU 670 CD ARG A 443 4045 5073 4080 -1799 -776 206 C ATOM 671 NE ARG A 443 -2.844 -20.939 5.764 1.00 33.19 N ANISOU 671 NE ARG A 443 3711 5132 3770 -1623 -658 54 N ATOM 672 CZ ARG A 443 -1.628 -21.401 6.042 1.00 34.15 C ANISOU 672 CZ ARG A 443 3643 5478 3854 -1657 -608 73 C ATOM 673 NH1 ARG A 443 -1.395 -22.705 6.016 1.00 33.11 N ANISOU 673 NH1 ARG A 443 3406 5523 3650 -1451 -504 -73 N ATOM 674 NH2 ARG A 443 -0.646 -20.564 6.352 1.00 37.58 N ANISOU 674 NH2 ARG A 443 3981 5939 4358 -1900 -687 250 N ATOM 675 H ARG A 443 -7.160 -18.237 5.989 1.00 45.43 H ATOM 676 HA ARG A 443 -6.939 -18.811 3.349 1.00 43.70 H ATOM 677 HB2 ARG A 443 -5.240 -20.461 4.179 1.00 43.24 H ATOM 678 HB3 ARG A 443 -4.794 -19.000 3.758 1.00 43.24 H ATOM 679 HG2 ARG A 443 -4.873 -18.396 6.062 1.00 41.95 H ATOM 680 HG3 ARG A 443 -5.109 -19.934 6.394 1.00 41.95 H ATOM 681 HD2 ARG A 443 -2.828 -19.117 4.972 1.00 41.88 H ATOM 682 HD3 ARG A 443 -2.827 -19.118 6.561 1.00 41.88 H ATOM 683 HE ARG A 443 -3.457 -21.511 5.571 1.00 40.02 H ATOM 684 HH11 ARG A 443 -2.029 -23.251 5.816 1.00 39.92 H ATOM 685 HH12 ARG A 443 -0.610 -23.005 6.196 1.00 39.92 H ATOM 686 HH21 ARG A 443 -0.788 -19.716 6.372 1.00 45.29 H ATOM 687 HH22 ARG A 443 0.137 -20.871 6.531 1.00 45.29 H ATOM 688 N SER A 444 -7.600 -21.324 3.741 1.00 34.39 N ANISOU 688 N SER A 444 4181 4871 4015 -1215 -843 -39 N ATOM 689 CA SER A 444 -8.567 -22.419 3.736 1.00 34.16 C ANISOU 689 CA SER A 444 4131 4792 4057 -1064 -887 -194 C ATOM 690 C SER A 444 -8.385 -23.350 4.927 1.00 32.77 C ANISOU 690 C SER A 444 3915 4544 3991 -976 -797 -366 C ATOM 691 O SER A 444 -9.338 -23.618 5.667 1.00 30.60 O ANISOU 691 O SER A 444 3630 4075 3920 -892 -797 -396 O ATOM 692 CB SER A 444 -8.439 -23.216 2.437 1.00 37.87 C ANISOU 692 CB SER A 444 4597 5513 4280 -1027 -945 -260 C ATOM 693 OG SER A 444 -8.548 -22.374 1.304 1.00 38.22 O ANISOU 693 OG SER A 444 4688 5677 4156 -1108 -1026 -64 O ATOM 694 H SER A 444 -6.950 -21.431 3.188 1.00 41.46 H ATOM 695 HA SER A 444 -9.463 -22.050 3.776 1.00 41.19 H ATOM 696 HB2 SER A 444 -7.574 -23.654 2.421 1.00 45.64 H ATOM 697 HB3 SER A 444 -9.146 -23.880 2.405 1.00 45.64 H ATOM 698 HG SER A 444 -9.346 -22.134 1.202 1.00 46.06 H ATOM 699 N ASP A 445 -7.168 -23.855 5.123 1.00 34.43 N ANISOU 699 N ASP A 445 4076 4929 4075 -985 -711 -441 N ATOM 700 CA ASP A 445 -6.972 -24.962 6.054 1.00 35.51 C ANISOU 700 CA ASP A 445 4167 5030 4296 -881 -655 -583 C ATOM 701 C ASP A 445 -7.369 -24.647 7.495 1.00 35.89 C ANISOU 701 C ASP A 445 4260 4873 4506 -869 -616 -566 C ATOM 702 O ASP A 445 -7.900 -25.553 8.161 1.00 33.18 O ANISOU 702 O ASP A 445 3888 4436 4284 -764 -589 -623 O ATOM 703 CB ASP A 445 -5.516 -25.446 5.984 1.00 35.29 C ANISOU 703 CB ASP A 445 4047 5240 4121 -874 -575 -626 C ATOM 704 CG ASP A 445 -4.517 -24.314 6.028 1.00 35.17 C ANISOU 704 CG ASP A 445 3993 5344 4026 -1043 -549 -470 C ATOM 705 OD1 ASP A 445 -4.663 -23.367 5.229 1.00 34.83 O ANISOU 705 OD1 ASP A 445 3987 5331 3916 -1153 -581 -332 O ATOM 706 OD2 ASP A 445 -3.587 -24.373 6.858 1.00 32.74 O ANISOU 706 OD2 ASP A 445 3608 5090 3740 -1082 -525 -460 O ATOM 707 H ASP A 445 -6.455 -23.579 4.730 1.00 41.50 H ATOM 708 HA ASP A 445 -7.531 -25.700 5.762 1.00 42.81 H ATOM 709 HB2 ASP A 445 -5.341 -26.029 6.739 1.00 42.54 H ATOM 710 HB3 ASP A 445 -5.384 -25.930 5.154 1.00 42.54 H ATOM 711 N PRO A 446 -7.170 -23.440 8.037 1.00 28.07 N ANISOU 711 N PRO A 446 3355 3793 3516 -961 -613 -493 N ATOM 712 CA PRO A 446 -7.575 -23.231 9.436 1.00 26.00 C ANISOU 712 CA PRO A 446 3187 3355 3338 -898 -559 -529 C ATOM 713 C PRO A 446 -9.081 -23.221 9.619 1.00 26.08 C ANISOU 713 C PRO A 446 3207 3186 3517 -764 -513 -499 C ATOM 714 O PRO A 446 -9.562 -23.563 10.707 1.00 27.37 O ANISOU 714 O PRO A 446 3391 3274 3735 -649 -411 -519 O ATOM 715 CB PRO A 446 -6.939 -21.883 9.804 1.00 24.81 C ANISOU 715 CB PRO A 446 3170 3121 3135 -1038 -613 -499 C ATOM 716 CG PRO A 446 -6.545 -21.238 8.526 1.00 27.26 C ANISOU 716 CG PRO A 446 3433 3515 3410 -1181 -685 -374 C ATOM 717 CD PRO A 446 -6.799 -22.174 7.386 1.00 25.16 C ANISOU 717 CD PRO A 446 3035 3431 3092 -1113 -669 -367 C ATOM 718 HA PRO A 446 -7.194 -23.923 9.998 1.00 31.40 H ATOM 719 HB2 PRO A 446 -7.589 -21.338 10.273 1.00 29.24 H ATOM 720 HB3 PRO A 446 -6.159 -22.035 10.361 1.00 29.24 H ATOM 721 HG2 PRO A 446 -7.068 -20.429 8.410 1.00 32.91 H ATOM 722 HG3 PRO A 446 -5.602 -21.016 8.565 1.00 32.91 H ATOM 723 HD2 PRO A 446 -7.535 -21.841 6.853 1.00 29.65 H ATOM 724 HD3 PRO A 446 -5.995 -22.280 6.857 1.00 29.65 H ATOM 725 N LEU A 447 -9.844 -22.844 8.590 1.00 27.11 N ANISOU 725 N LEU A 447 3301 3272 3727 -769 -582 -416 N ATOM 726 CA LEU A 447 -11.296 -22.969 8.663 1.00 26.71 C ANISOU 726 CA LEU A 447 3176 3086 3888 -643 -559 -345 C ATOM 727 C LEU A 447 -11.706 -24.434 8.733 1.00 27.60 C ANISOU 727 C LEU A 447 3144 3245 4098 -592 -562 -371 C ATOM 728 O LEU A 447 -12.515 -24.825 9.582 1.00 28.29 O ANISOU 728 O LEU A 447 3155 3247 4348 -487 -457 -313 O ATOM 729 CB LEU A 447 -11.946 -22.282 7.461 1.00 25.68 C ANISOU 729 CB LEU A 447 3016 2919 3822 -677 -692 -222 C ATOM 730 CG LEU A 447 -13.462 -22.463 7.325 1.00 26.66 C ANISOU 730 CG LEU A 447 2989 2934 4206 -565 -722 -103 C ATOM 731 CD1 LEU A 447 -14.194 -21.959 8.564 1.00 27.42 C ANISOU 731 CD1 LEU A 447 3086 2863 4468 -388 -525 -62 C ATOM 732 CD2 LEU A 447 -13.977 -21.760 6.080 1.00 28.08 C ANISOU 732 CD2 LEU A 447 3144 3104 4419 -611 -905 42 C ATOM 733 H LEU A 447 -9.549 -22.518 7.851 1.00 32.72 H ATOM 734 HA LEU A 447 -11.611 -22.529 9.468 1.00 32.25 H ATOM 735 HB2 LEU A 447 -11.773 -21.330 7.523 1.00 29.96 H ATOM 736 HB3 LEU A 447 -11.539 -22.632 6.653 1.00 29.96 H ATOM 737 HG LEU A 447 -13.660 -23.408 7.229 1.00 31.13 H ATOM 738 HD11 LEU A 447 -15.149 -22.030 8.414 1.00 32.04 H ATOM 739 HD12 LEU A 447 -13.938 -22.501 9.326 1.00 32.04 H ATOM 740 HD13 LEU A 447 -13.951 -21.033 8.719 1.00 32.04 H ATOM 741 HD21 LEU A 447 -14.909 -21.996 5.948 1.00 32.83 H ATOM 742 HD22 LEU A 447 -13.892 -20.802 6.202 1.00 32.83 H ATOM 743 HD23 LEU A 447 -13.452 -22.046 5.316 1.00 32.83 H ATOM 744 N THR A 448 -11.158 -25.260 7.839 1.00 29.59 N ANISOU 744 N THR A 448 3361 3624 4256 -657 -676 -450 N ATOM 745 CA THR A 448 -11.404 -26.697 7.906 1.00 31.99 C ANISOU 745 CA THR A 448 3570 3910 4674 -620 -717 -506 C ATOM 746 C THR A 448 -11.019 -27.246 9.273 1.00 30.37 C ANISOU 746 C THR A 448 3360 3682 4496 -557 -570 -507 C ATOM 747 O THR A 448 -11.775 -28.007 9.889 1.00 32.27 O ANISOU 747 O THR A 448 3501 3822 4937 -505 -533 -424 O ATOM 748 CB THR A 448 -10.619 -27.410 6.805 1.00 34.82 C ANISOU 748 CB THR A 448 3963 4402 4866 -652 -835 -654 C ATOM 749 OG1 THR A 448 -10.889 -26.785 5.543 1.00 35.15 O ANISOU 749 OG1 THR A 448 4045 4518 4793 -711 -965 -632 O ATOM 750 CG2 THR A 448 -11.008 -28.879 6.735 1.00 35.75 C ANISOU 750 CG2 THR A 448 4022 4412 5149 -613 -938 -739 C ATOM 751 H THR A 448 -10.647 -25.015 7.193 1.00 35.70 H ATOM 752 HA THR A 448 -12.349 -26.867 7.765 1.00 38.58 H ATOM 753 HB THR A 448 -9.670 -27.353 6.997 1.00 41.98 H ATOM 754 HG1 THR A 448 -10.460 -27.172 4.933 1.00 42.38 H ATOM 755 HG21 THR A 448 -10.587 -29.296 5.967 1.00 43.09 H ATOM 756 HG22 THR A 448 -10.720 -29.339 7.539 1.00 43.09 H ATOM 757 HG23 THR A 448 -11.971 -28.963 6.650 1.00 43.09 H ATOM 758 N ARG A 449 -9.838 -26.865 9.762 1.00 25.37 N ANISOU 758 N ARG A 449 2818 3154 3667 -577 -503 -564 N ATOM 759 CA ARG A 449 -9.394 -27.304 11.079 1.00 27.07 C ANISOU 759 CA ARG A 449 3052 3378 3855 -522 -401 -550 C ATOM 760 C ARG A 449 -10.341 -26.815 12.167 1.00 31.56 C ANISOU 760 C ARG A 449 3658 3847 4488 -438 -260 -448 C ATOM 761 O ARG A 449 -10.695 -27.570 13.080 1.00 32.71 O ANISOU 761 O ARG A 449 3754 3973 4702 -360 -164 -359 O ATOM 762 CB ARG A 449 -7.973 -26.801 11.329 1.00 24.21 C ANISOU 762 CB ARG A 449 2765 3156 3278 -590 -413 -612 C ATOM 763 CG ARG A 449 -7.332 -27.307 12.605 1.00 22.99 C ANISOU 763 CG ARG A 449 2631 3050 3053 -547 -371 -594 C ATOM 764 CD ARG A 449 -5.900 -26.805 12.718 1.00 23.69 C ANISOU 764 CD ARG A 449 2741 3290 2971 -650 -443 -631 C ATOM 765 NE ARG A 449 -5.831 -25.347 12.760 1.00 24.03 N ANISOU 765 NE ARG A 449 2921 3284 2925 -765 -479 -647 N ATOM 766 CZ ARG A 449 -4.703 -24.654 12.873 1.00 24.49 C ANISOU 766 CZ ARG A 449 3000 3429 2877 -914 -581 -649 C ATOM 767 NH1 ARG A 449 -4.740 -23.329 12.904 1.00 27.56 N ANISOU 767 NH1 ARG A 449 3540 3698 3235 -1032 -644 -661 N ATOM 768 NH2 ARG A 449 -3.537 -25.282 12.956 1.00 25.18 N ANISOU 768 NH2 ARG A 449 2940 3701 2925 -945 -637 -620 N ATOM 769 H ARG A 449 -9.280 -26.355 9.351 1.00 30.63 H ATOM 770 HA ARG A 449 -9.380 -28.274 11.104 1.00 32.68 H ATOM 771 HB2 ARG A 449 -7.412 -27.080 10.589 1.00 29.25 H ATOM 772 HB3 ARG A 449 -7.993 -25.832 11.374 1.00 29.25 H ATOM 773 HG2 ARG A 449 -7.832 -26.982 13.370 1.00 27.78 H ATOM 774 HG3 ARG A 449 -7.318 -28.277 12.597 1.00 27.78 H ATOM 775 HD2 ARG A 449 -5.501 -27.148 13.531 1.00 28.62 H ATOM 776 HD3 ARG A 449 -5.396 -27.108 11.947 1.00 28.62 H ATOM 777 HE ARG A 449 -6.572 -24.910 12.765 1.00 29.03 H ATOM 778 HH11 ARG A 449 -5.494 -22.919 12.850 1.00 33.27 H ATOM 779 HH12 ARG A 449 -4.010 -22.880 12.977 1.00 33.27 H ATOM 780 HH21 ARG A 449 -3.505 -26.141 12.937 1.00 30.40 H ATOM 781 HH22 ARG A 449 -2.810 -24.828 13.029 1.00 30.40 H ATOM 782 N HIS A 450 -10.765 -25.553 12.084 1.00 23.58 N ANISOU 782 N HIS A 450 2737 2770 3453 -431 -228 -443 N ATOM 783 CA HIS A 450 -11.705 -25.017 13.063 1.00 24.83 C ANISOU 783 CA HIS A 450 2941 2835 3656 -286 -53 -372 C ATOM 784 C HIS A 450 -13.023 -25.780 13.040 1.00 25.62 C ANISOU 784 C HIS A 450 2819 2887 4026 -201 22 -202 C ATOM 785 O HIS A 450 -13.574 -26.116 14.094 1.00 26.82 O ANISOU 785 O HIS A 450 2928 3052 4210 -77 212 -89 O ATOM 786 CB HIS A 450 -11.947 -23.533 12.793 1.00 25.63 C ANISOU 786 CB HIS A 450 3179 2819 3740 -268 -57 -408 C ATOM 787 CG HIS A 450 -13.080 -22.953 13.580 1.00 27.53 C ANISOU 787 CG HIS A 450 3448 2948 4065 -54 147 -347 C ATOM 788 ND1 HIS A 450 -12.995 -22.698 14.932 1.00 28.95 N ANISOU 788 ND1 HIS A 450 3812 3131 4057 87 324 -417 N ATOM 789 CD2 HIS A 450 -14.327 -22.579 13.205 1.00 28.78 C ANISOU 789 CD2 HIS A 450 3465 3010 4462 71 212 -217 C ATOM 790 CE1 HIS A 450 -14.138 -22.190 15.355 1.00 31.07 C ANISOU 790 CE1 HIS A 450 4061 3315 4431 318 533 -348 C ATOM 791 NE2 HIS A 450 -14.963 -22.107 14.328 1.00 30.97 N ANISOU 791 NE2 HIS A 450 3824 3236 4707 312 469 -210 N ATOM 792 H HIS A 450 -10.525 -24.994 11.476 1.00 27.33 H ATOM 793 HA HIS A 450 -11.323 -25.103 13.950 1.00 28.83 H ATOM 794 HB2 HIS A 450 -11.144 -23.039 13.021 1.00 29.79 H ATOM 795 HB3 HIS A 450 -12.149 -23.416 11.852 1.00 29.79 H ATOM 796 HD1 HIS A 450 -12.305 -22.845 15.423 1.00 33.78 H ATOM 797 HD2 HIS A 450 -14.684 -22.630 12.348 1.00 33.58 H ATOM 798 HE1 HIS A 450 -14.330 -21.935 16.229 1.00 36.32 H ATOM 799 N TYR A 451 -13.542 -26.067 11.843 1.00 31.11 N ANISOU 799 N TYR A 451 3364 3544 4913 -277 -139 -159 N ATOM 800 CA TYR A 451 -14.857 -26.687 11.733 1.00 29.11 C ANISOU 800 CA TYR A 451 2863 3223 4973 -241 -132 30 C ATOM 801 C TYR A 451 -14.916 -28.018 12.469 1.00 27.73 C ANISOU 801 C TYR A 451 2575 3055 4908 -245 -74 131 C ATOM 802 O TYR A 451 -15.984 -28.412 12.951 1.00 31.01 O ANISOU 802 O TYR A 451 2780 3434 5570 -189 39 358 O ATOM 803 CB TYR A 451 -15.221 -26.874 10.260 1.00 29.09 C ANISOU 803 CB TYR A 451 2761 3185 5108 -364 -405 20 C ATOM 804 CG TYR A 451 -16.697 -26.726 9.970 1.00 29.38 C ANISOU 804 CG TYR A 451 2551 3142 5468 -328 -442 236 C ATOM 805 CD1 TYR A 451 -17.273 -25.471 9.830 1.00 30.74 C ANISOU 805 CD1 TYR A 451 2717 3283 5682 -223 -381 316 C ATOM 806 CD2 TYR A 451 -17.513 -27.839 9.830 1.00 30.84 C ANISOU 806 CD2 TYR A 451 2491 3265 5961 -405 -562 381 C ATOM 807 CE1 TYR A 451 -18.620 -25.327 9.564 1.00 35.03 C ANISOU 807 CE1 TYR A 451 2983 3771 6555 -167 -418 548 C ATOM 808 CE2 TYR A 451 -18.865 -27.706 9.564 1.00 33.17 C ANISOU 808 CE2 TYR A 451 2500 3507 6597 -395 -623 621 C ATOM 809 CZ TYR A 451 -19.413 -26.448 9.431 1.00 35.00 C ANISOU 809 CZ TYR A 451 2697 3747 6856 -263 -541 711 C ATOM 810 OH TYR A 451 -20.758 -26.313 9.165 1.00 40.76 O ANISOU 810 OH TYR A 451 3090 4439 7957 -230 -605 983 O ATOM 811 H TYR A 451 -13.155 -25.914 11.091 1.00 37.53 H ATOM 812 HA TYR A 451 -15.516 -26.097 12.131 1.00 35.12 H ATOM 813 HB2 TYR A 451 -14.749 -26.210 9.734 1.00 35.10 H ATOM 814 HB3 TYR A 451 -14.953 -27.764 9.983 1.00 35.10 H ATOM 815 HD1 TYR A 451 -16.742 -24.713 9.919 1.00 37.08 H ATOM 816 HD2 TYR A 451 -17.146 -28.689 9.920 1.00 37.20 H ATOM 817 HE1 TYR A 451 -18.991 -24.479 9.474 1.00 42.23 H ATOM 818 HE2 TYR A 451 -19.400 -28.461 9.474 1.00 40.00 H ATOM 819 HH TYR A 451 -20.960 -25.499 9.109 1.00 49.10 H ATOM 820 N ARG A 452 -13.785 -28.723 12.571 1.00 32.57 N ANISOU 820 N ARG A 452 3295 3712 5366 -304 -144 5 N ATOM 821 CA ARG A 452 -13.766 -29.984 13.307 1.00 34.34 C ANISOU 821 CA ARG A 452 3431 3910 5708 -300 -104 130 C ATOM 822 C ARG A 452 -14.100 -29.773 14.777 1.00 35.07 C ANISOU 822 C ARG A 452 3531 4080 5714 -166 181 309 C ATOM 823 O ARG A 452 -14.579 -30.696 15.445 1.00 35.09 O ANISOU 823 O ARG A 452 3388 4062 5883 -152 268 539 O ATOM 824 CB ARG A 452 -12.401 -30.654 13.156 1.00 37.09 C ANISOU 824 CB ARG A 452 3898 4294 5903 -341 -224 -37 C ATOM 825 CG ARG A 452 -12.112 -31.112 11.736 1.00 37.39 C ANISOU 825 CG ARG A 452 3933 4270 6003 -425 -467 -216 C ATOM 826 CD ARG A 452 -10.662 -31.515 11.550 1.00 37.47 C ANISOU 826 CD ARG A 452 4050 4366 5822 -404 -520 -394 C ATOM 827 NE ARG A 452 -10.394 -31.925 10.173 1.00 40.47 N ANISOU 827 NE ARG A 452 4458 4720 6198 -431 -704 -590 N ATOM 828 CZ ARG A 452 -9.202 -31.867 9.586 1.00 40.09 C ANISOU 828 CZ ARG A 452 4487 4816 5930 -395 -720 -764 C ATOM 829 NH1 ARG A 452 -9.068 -32.264 8.328 1.00 42.67 N ANISOU 829 NH1 ARG A 452 4863 5140 6209 -382 -855 -948 N ATOM 830 NH2 ARG A 452 -8.146 -31.404 10.242 1.00 38.31 N ANISOU 830 NH2 ARG A 452 4283 4753 5520 -370 -606 -747 N ATOM 831 H ARG A 452 -13.030 -28.496 12.229 1.00 39.27 H ATOM 832 HA ARG A 452 -14.434 -30.578 12.931 1.00 41.40 H ATOM 833 HB2 ARG A 452 -11.711 -30.023 13.412 1.00 44.71 H ATOM 834 HB3 ARG A 452 -12.367 -31.433 13.733 1.00 44.71 H ATOM 835 HG2 ARG A 452 -12.667 -31.877 11.526 1.00 45.06 H ATOM 836 HG3 ARG A 452 -12.302 -30.385 11.123 1.00 45.06 H ATOM 837 HD2 ARG A 452 -10.096 -30.757 11.762 1.00 45.16 H ATOM 838 HD3 ARG A 452 -10.459 -32.261 12.135 1.00 45.16 H ATOM 839 HE ARG A 452 -11.054 -32.225 9.710 1.00 48.76 H ATOM 840 HH11 ARG A 452 -9.749 -32.563 7.897 1.00 51.39 H ATOM 841 HH12 ARG A 452 -8.299 -32.226 7.945 1.00 51.39 H ATOM 842 HH21 ARG A 452 -8.221 -31.143 11.057 1.00 46.17 H ATOM 843 HH22 ARG A 452 -7.381 -31.370 9.851 1.00 46.17 H ATOM 844 N LYS A 453 -13.851 -28.570 15.298 1.00 39.91 N ANISOU 844 N LYS A 453 4333 4777 6056 -65 324 209 N ATOM 845 CA LYS A 453 -14.275 -28.246 16.655 1.00 45.10 C ANISOU 845 CA LYS A 453 5050 5523 6564 109 615 336 C ATOM 846 C LYS A 453 -15.790 -28.321 16.791 1.00 47.32 C ANISOU 846 C LYS A 453 5063 5780 7134 214 808 605 C ATOM 847 O LYS A 453 -16.301 -28.629 17.873 1.00 47.50 O ANISOU 847 O LYS A 453 5019 5906 7122 346 1074 825 O ATOM 848 CB LYS A 453 -13.769 -26.852 17.034 1.00 47.55 C ANISOU 848 CB LYS A 453 5659 5861 6547 198 675 114 C ATOM 849 CG LYS A 453 -14.105 -26.411 18.447 1.00 53.34 C ANISOU 849 CG LYS A 453 6551 6692 7023 418 969 157 C ATOM 850 CD LYS A 453 -13.522 -25.035 18.736 1.00 53.92 C ANISOU 850 CD LYS A 453 6979 6717 6791 477 946 -127 C ATOM 851 CE LYS A 453 -13.937 -24.524 20.105 1.00 59.76 C ANISOU 851 CE LYS A 453 7942 7540 7225 744 1241 -148 C ATOM 852 NZ LYS A 453 -13.395 -23.164 20.380 1.00 60.76 N ANISOU 852 NZ LYS A 453 8463 7545 7076 795 1167 -469 N ATOM 853 H LYS A 453 -13.443 -27.933 14.890 1.00 48.09 H ATOM 854 HA LYS A 453 -13.885 -28.886 17.271 1.00 54.32 H ATOM 855 HB2 LYS A 453 -12.803 -26.838 16.944 1.00 57.26 H ATOM 856 HB3 LYS A 453 -14.163 -26.206 16.428 1.00 57.26 H ATOM 857 HG2 LYS A 453 -15.068 -26.361 18.551 1.00 64.20 H ATOM 858 HG3 LYS A 453 -13.729 -27.042 19.080 1.00 64.20 H ATOM 859 HD2 LYS A 453 -12.554 -25.087 18.713 1.00 64.90 H ATOM 860 HD3 LYS A 453 -13.840 -24.407 18.069 1.00 64.90 H ATOM 861 HE2 LYS A 453 -14.905 -24.478 20.148 1.00 71.91 H ATOM 862 HE3 LYS A 453 -13.600 -25.127 20.786 1.00 71.91 H ATOM 863 HZ1 LYS A 453 -13.637 -22.899 21.194 1.00 73.10 H ATOM 864 HZ2 LYS A 453 -12.507 -23.175 20.332 1.00 73.10 H ATOM 865 HZ3 LYS A 453 -13.710 -22.585 19.782 1.00 73.10 H ATOM 866 N HIS A 454 -16.520 -28.049 15.708 1.00 35.40 N ANISOU 866 N HIS A 454 3377 4164 5908 158 679 625 N ATOM 867 CA HIS A 454 -17.977 -28.086 15.723 1.00 40.49 C ANISOU 867 CA HIS A 454 3697 4794 6894 242 822 915 C ATOM 868 C HIS A 454 -18.525 -29.481 15.455 1.00 40.44 C ANISOU 868 C HIS A 454 3376 4721 7270 69 683 1171 C ATOM 869 O HIS A 454 -19.522 -29.880 16.065 1.00 44.07 O ANISOU 869 O HIS A 454 3548 5227 7971 129 888 1514 O ATOM 870 CB HIS A 454 -18.545 -27.119 14.677 1.00 41.77 C ANISOU 870 CB HIS A 454 3794 4866 7209 256 696 855 C ATOM 871 CG HIS A 454 -18.231 -25.680 14.943 1.00 45.57 C ANISOU 871 CG HIS A 454 4557 5341 7418 436 831 654 C ATOM 872 ND1 HIS A 454 -18.447 -25.082 16.166 1.00 46.87 N ANISOU 872 ND1 HIS A 454 4850 5574 7384 701 1183 661 N ATOM 873 CD2 HIS A 454 -17.732 -24.714 14.136 1.00 43.30 C ANISOU 873 CD2 HIS A 454 4464 4960 7028 389 650 447 C ATOM 874 CE1 HIS A 454 -18.085 -23.813 16.104 1.00 45.12 C ANISOU 874 CE1 HIS A 454 4914 5258 6973 805 1181 428 C ATOM 875 NE2 HIS A 454 -17.649 -23.564 14.882 1.00 45.43 N ANISOU 875 NE2 HIS A 454 4978 5194 7091 603 860 325 N ATOM 876 H HIS A 454 -16.187 -27.838 14.944 1.00 42.67 H ATOM 877 HA HIS A 454 -18.292 -27.803 16.596 1.00 48.78 H ATOM 878 HB2 HIS A 454 -18.176 -27.347 13.809 1.00 50.31 H ATOM 879 HB3 HIS A 454 -19.510 -27.213 14.658 1.00 50.31 H ATOM 880 HD1 HIS A 454 -18.763 -25.475 16.863 1.00 56.44 H ATOM 881 HD2 HIS A 454 -17.487 -24.812 13.244 1.00 52.15 H ATOM 882 HE1 HIS A 454 -18.132 -23.199 16.801 1.00 54.34 H ATOM 883 N THR A 455 -17.896 -30.228 14.552 1.00 38.83 N ANISOU 883 N THR A 455 3222 4398 7134 -140 341 1018 N ATOM 884 CA THR A 455 -18.412 -31.512 14.102 1.00 37.73 C ANISOU 884 CA THR A 455 2836 4107 7394 -329 116 1194 C ATOM 885 C THR A 455 -17.804 -32.697 14.840 1.00 39.09 C ANISOU 885 C THR A 455 3052 4238 7564 -379 132 1283 C ATOM 886 O THR A 455 -18.219 -33.834 14.600 1.00 38.74 O ANISOU 886 O THR A 455 2820 4013 7888 -540 -57 1451 O ATOM 887 CB THR A 455 -18.167 -31.675 12.599 1.00 34.26 C ANISOU 887 CB THR A 455 2461 3532 7025 -497 -292 944 C ATOM 888 OG1 THR A 455 -16.759 -31.765 12.348 1.00 31.78 O ANISOU 888 OG1 THR A 455 2458 3240 6377 -501 -380 623 O ATOM 889 CG2 THR A 455 -18.741 -30.494 11.827 1.00 34.18 C ANISOU 889 CG2 THR A 455 2413 3566 7009 -455 -341 900 C ATOM 890 H THR A 455 -17.154 -30.006 14.179 1.00 46.79 H ATOM 891 HA THR A 455 -19.371 -31.533 14.249 1.00 45.47 H ATOM 892 HB THR A 455 -18.603 -32.483 12.289 1.00 41.31 H ATOM 893 HG1 THR A 455 -16.619 -31.855 11.525 1.00 38.33 H ATOM 894 HG21 THR A 455 -18.675 -30.659 10.873 1.00 41.21 H ATOM 895 HG22 THR A 455 -19.674 -30.368 12.061 1.00 41.21 H ATOM 896 HG23 THR A 455 -18.250 -29.685 12.042 1.00 41.21 H ATOM 897 N GLY A 456 -16.836 -32.466 15.725 1.00 44.72 N ANISOU 897 N GLY A 456 4008 5090 7892 -256 316 1187 N ATOM 898 CA GLY A 456 -16.199 -33.558 16.434 1.00 47.70 C ANISOU 898 CA GLY A 456 4429 5437 8257 -285 311 1298 C ATOM 899 C GLY A 456 -15.403 -34.503 15.566 1.00 49.15 C ANISOU 899 C GLY A 456 4694 5419 8563 -418 -31 1092 C ATOM 900 O GLY A 456 -15.045 -35.591 16.027 1.00 50.11 O ANISOU 900 O GLY A 456 4801 5433 8805 -449 -84 1228 O ATOM 901 H GLY A 456 -16.534 -31.687 15.929 1.00 53.85 H ATOM 902 HA2 GLY A 456 -15.600 -33.191 17.103 1.00 57.43 H ATOM 903 HA3 GLY A 456 -16.880 -34.075 16.892 1.00 57.43 H ATOM 904 N HIS A 457 -15.114 -34.125 14.324 1.00 53.48 N ANISOU 904 N HIS A 457 5337 5913 9071 -472 -254 777 N ATOM 905 CA HIS A 457 -14.359 -34.974 13.408 1.00 54.86 C ANISOU 905 CA HIS A 457 5617 5918 9309 -543 -547 531 C ATOM 906 C HIS A 457 -12.923 -35.107 13.903 1.00 55.58 C ANISOU 906 C HIS A 457 5900 6117 9102 -436 -486 394 C ATOM 907 O HIS A 457 -12.170 -34.127 13.915 1.00 54.79 O ANISOU 907 O HIS A 457 5943 6221 8654 -370 -397 223 O ATOM 908 CB HIS A 457 -14.407 -34.376 12.005 1.00 54.11 C ANISOU 908 CB HIS A 457 5594 5824 9141 -594 -745 251 C ATOM 909 CG HIS A 457 -13.714 -35.199 10.964 1.00 58.57 C ANISOU 909 CG HIS A 457 6296 6244 9716 -624 -1019 -38 C ATOM 910 ND1 HIS A 457 -13.696 -36.577 10.992 1.00 61.97 N ANISOU 910 ND1 HIS A 457 6707 6404 10435 -664 -1191 -16 N ATOM 911 CD2 HIS A 457 -13.029 -34.836 9.854 1.00 58.75 C ANISOU 911 CD2 HIS A 457 6486 6351 9483 -597 -1136 -355 C ATOM 912 CE1 HIS A 457 -13.024 -37.027 9.948 1.00 62.29 C ANISOU 912 CE1 HIS A 457 6925 6358 10386 -630 -1398 -355 C ATOM 913 NE2 HIS A 457 -12.610 -35.991 9.240 1.00 60.44 N ANISOU 913 NE2 HIS A 457 6797 6368 9801 -585 -1350 -554 N ATOM 914 H HIS A 457 -15.347 -33.371 13.983 1.00 64.37 H ATOM 915 HA HIS A 457 -14.759 -35.857 13.381 1.00 66.02 H ATOM 916 HB2 HIS A 457 -15.334 -34.281 11.738 1.00 65.12 H ATOM 917 HB3 HIS A 457 -13.984 -33.505 12.026 1.00 65.12 H ATOM 918 HD2 HIS A 457 -12.871 -33.967 9.562 1.00 70.69 H ATOM 919 HE1 HIS A 457 -12.869 -37.921 9.745 1.00 74.95 H ATOM 920 HE2 HIS A 457 -12.149 -36.033 8.515 1.00 72.72 H ATOM 921 N ARG A 458 -12.540 -36.320 14.315 1.00 49.20 N ANISOU 921 N ARG A 458 5075 5152 8465 -429 -559 496 N ATOM 922 CA ARG A 458 -11.210 -36.611 14.850 1.00 48.19 C ANISOU 922 CA ARG A 458 5073 5114 8124 -317 -530 431 C ATOM 923 C ARG A 458 -10.560 -37.680 13.978 1.00 46.82 C ANISOU 923 C ARG A 458 4953 4706 8129 -290 -771 217 C ATOM 924 O ARG A 458 -10.554 -38.868 14.335 1.00 49.95 O ANISOU 924 O ARG A 458 5307 4860 8812 -281 -864 369 O ATOM 925 CB ARG A 458 -11.288 -37.072 16.307 1.00 52.71 C ANISOU 925 CB ARG A 458 5589 5729 8709 -276 -371 797 C ATOM 926 CG ARG A 458 -11.724 -35.986 17.278 1.00 56.02 C ANISOU 926 CG ARG A 458 6026 6422 8836 -231 -94 949 C ATOM 927 CD ARG A 458 -11.756 -36.430 18.732 1.00 62.37 C ANISOU 927 CD ARG A 458 6813 7331 9552 -167 80 1313 C ATOM 928 NE ARG A 458 -12.245 -35.376 19.616 1.00 67.27 N ANISOU 928 NE ARG A 458 7496 8216 9848 -81 365 1407 N ATOM 929 CZ ARG A 458 -12.479 -35.538 20.909 1.00 73.78 C ANISOU 929 CZ ARG A 458 8331 9205 10497 3 583 1725 C ATOM 930 NH1 ARG A 458 -12.266 -36.716 21.482 1.00 78.27 N ANISOU 930 NH1 ARG A 458 8829 9699 11213 -17 534 2033 N ATOM 931 NH2 ARG A 458 -12.925 -34.523 21.638 1.00 75.53 N ANISOU 931 NH2 ARG A 458 8654 9663 10379 126 856 1741 N ATOM 932 H ARG A 458 -13.052 -37.010 14.292 1.00 59.23 H ATOM 933 HA ARG A 458 -10.665 -35.810 14.818 1.00 58.02 H ATOM 934 HB2 ARG A 458 -11.927 -37.799 16.370 1.00 63.44 H ATOM 935 HB3 ARG A 458 -10.411 -37.381 16.583 1.00 63.44 H ATOM 936 HG2 ARG A 458 -11.107 -35.241 17.210 1.00 67.41 H ATOM 937 HG3 ARG A 458 -12.617 -35.694 17.038 1.00 67.41 H ATOM 938 HD2 ARG A 458 -12.345 -37.196 18.819 1.00 75.03 H ATOM 939 HD3 ARG A 458 -10.859 -36.665 19.012 1.00 75.03 H ATOM 940 HE ARG A 458 -12.390 -34.600 19.275 1.00 80.92 H ATOM 941 HH11 ARG A 458 -11.977 -37.379 21.017 1.00 94.12 H ATOM 942 HH12 ARG A 458 -12.419 -36.817 22.322 1.00 94.12 H ATOM 943 HH21 ARG A 458 -13.064 -33.758 21.271 1.00 90.82 H ATOM 944 HH22 ARG A 458 -13.075 -34.630 22.478 1.00 90.82 H ATOM 945 N PRO A 459 -9.986 -37.297 12.833 1.00 41.46 N ANISOU 945 N PRO A 459 4381 4091 7283 -255 -864 -131 N ATOM 946 CA PRO A 459 -9.439 -38.320 11.926 1.00 41.79 C ANISOU 946 CA PRO A 459 4505 3912 7463 -177 -1066 -382 C ATOM 947 C PRO A 459 -8.244 -39.053 12.501 1.00 43.07 C ANISOU 947 C PRO A 459 4684 4060 7620 -6 -1038 -360 C ATOM 948 O PRO A 459 -8.097 -40.262 12.280 1.00 47.91 O ANISOU 948 O PRO A 459 5331 4360 8513 71 -1194 -415 O ATOM 949 CB PRO A 459 -9.050 -37.518 10.673 1.00 40.24 C ANISOU 949 CB PRO A 459 4414 3904 6973 -151 -1091 -713 C ATOM 950 CG PRO A 459 -9.605 -36.142 10.865 1.00 35.40 C ANISOU 950 CG PRO A 459 3757 3523 6171 -259 -956 -603 C ATOM 951 CD PRO A 459 -9.753 -35.935 12.331 1.00 36.18 C ANISOU 951 CD PRO A 459 3775 3694 6280 -265 -778 -298 C ATOM 952 HA PRO A 459 -10.127 -38.963 11.693 1.00 50.34 H ATOM 953 HB2 PRO A 459 -8.084 -37.487 10.596 1.00 48.49 H ATOM 954 HB3 PRO A 459 -9.440 -37.935 9.888 1.00 48.49 H ATOM 955 HG2 PRO A 459 -8.988 -35.492 10.494 1.00 42.68 H ATOM 956 HG3 PRO A 459 -10.465 -36.077 10.427 1.00 42.68 H ATOM 957 HD2 PRO A 459 -8.936 -35.570 12.706 1.00 43.62 H ATOM 958 HD3 PRO A 459 -10.517 -35.367 12.516 1.00 43.62 H ATOM 959 N PHE A 460 -7.381 -38.353 13.231 1.00 45.02 N ANISOU 959 N PHE A 460 4912 4617 7578 56 -874 -280 N ATOM 960 CA PHE A 460 -6.094 -38.898 13.647 1.00 43.67 C ANISOU 960 CA PHE A 460 4723 4500 7371 230 -871 -269 C ATOM 961 C PHE A 460 -6.284 -39.789 14.867 1.00 44.91 C ANISOU 961 C PHE A 460 4821 4489 7755 242 -887 85 C ATOM 962 O PHE A 460 -6.635 -39.310 15.950 1.00 44.03 O ANISOU 962 O PHE A 460 4681 4537 7511 162 -770 359 O ATOM 963 CB PHE A 460 -5.123 -37.757 13.927 1.00 39.95 C ANISOU 963 CB PHE A 460 4232 4426 6522 241 -750 -297 C ATOM 964 CG PHE A 460 -4.877 -36.884 12.736 1.00 37.78 C ANISOU 964 CG PHE A 460 3994 4323 6037 217 -723 -573 C ATOM 965 CD1 PHE A 460 -3.903 -37.216 11.811 1.00 37.68 C ANISOU 965 CD1 PHE A 460 3964 4375 5979 377 -734 -796 C ATOM 966 CD2 PHE A 460 -5.632 -35.744 12.527 1.00 36.21 C ANISOU 966 CD2 PHE A 460 3843 4228 5688 58 -670 -587 C ATOM 967 CE1 PHE A 460 -3.679 -36.423 10.707 1.00 38.51 C ANISOU 967 CE1 PHE A 460 4099 4677 5857 355 -684 -999 C ATOM 968 CE2 PHE A 460 -5.412 -34.944 11.425 1.00 35.93 C ANISOU 968 CE2 PHE A 460 3843 4347 5463 26 -656 -785 C ATOM 969 CZ PHE A 460 -4.433 -35.284 10.514 1.00 37.30 C ANISOU 969 CZ PHE A 460 3998 4616 5558 162 -660 -978 C ATOM 970 H PHE A 460 -7.520 -37.549 13.502 1.00 54.22 H ATOM 971 HA PHE A 460 -5.728 -39.439 12.930 1.00 52.60 H ATOM 972 HB2 PHE A 460 -5.486 -37.201 14.634 1.00 48.14 H ATOM 973 HB3 PHE A 460 -4.272 -38.129 14.204 1.00 48.14 H ATOM 974 HD1 PHE A 460 -3.392 -37.982 11.938 1.00 45.41 H ATOM 975 HD2 PHE A 460 -6.292 -35.511 13.140 1.00 43.65 H ATOM 976 HE1 PHE A 460 -3.018 -36.653 10.094 1.00 46.41 H ATOM 977 HE2 PHE A 460 -5.922 -34.177 11.296 1.00 43.31 H ATOM 978 HZ PHE A 460 -4.283 -34.747 9.770 1.00 44.95 H ATOM 979 N GLN A 461 -6.045 -41.085 14.690 1.00 53.07 N ANISOU 979 N GLN A 461 5857 5194 9115 359 -1029 81 N ATOM 980 CA GLN A 461 -6.238 -42.079 15.735 1.00 58.27 C ANISOU 980 CA GLN A 461 6459 5628 10054 367 -1078 456 C ATOM 981 C GLN A 461 -4.891 -42.507 16.300 1.00 60.88 C ANISOU 981 C GLN A 461 6749 6051 10331 581 -1091 541 C ATOM 982 O GLN A 461 -3.901 -42.602 15.568 1.00 60.71 O ANISOU 982 O GLN A 461 6731 6071 10264 769 -1119 259 O ATOM 983 CB GLN A 461 -6.985 -43.298 15.188 1.00 62.82 C ANISOU 983 CB GLN A 461 7066 5680 11122 327 -1283 438 C ATOM 984 CG GLN A 461 -7.296 -44.367 16.225 1.00 67.71 C ANISOU 984 CG GLN A 461 7612 6012 12101 295 -1349 893 C ATOM 985 CD GLN A 461 -8.283 -43.892 17.270 1.00 66.05 C ANISOU 985 CD GLN A 461 7287 5990 11820 95 -1182 1330 C ATOM 986 OE1 GLN A 461 -9.446 -43.627 16.966 1.00 64.96 O ANISOU 986 OE1 GLN A 461 7089 5788 11804 -96 -1173 1367 O ATOM 987 NE2 GLN A 461 -7.821 -43.775 18.510 1.00 67.58 N ANISOU 987 NE2 GLN A 461 7443 6439 11795 157 -1048 1670 N ATOM 988 H GLN A 461 -5.762 -41.420 13.950 1.00 63.88 H ATOM 989 HA GLN A 461 -6.764 -41.695 16.454 1.00 70.12 H ATOM 990 HB2 GLN A 461 -7.828 -43.001 14.810 1.00 75.57 H ATOM 991 HB3 GLN A 461 -6.443 -43.709 14.496 1.00 75.57 H ATOM 992 HG2 GLN A 461 -7.683 -45.135 15.777 1.00 81.44 H ATOM 993 HG3 GLN A 461 -6.478 -44.626 16.677 1.00 81.44 H ATOM 994 HE21 GLN A 461 -7.019 -44.024 18.696 1.00 81.29 H ATOM 995 HE22 GLN A 461 -8.325 -43.450 19.126 1.00 81.29 H ATOM 996 N CYS A 462 -4.860 -42.762 17.605 1.00 56.07 N ANISOU 996 N CYS A 462 6084 5502 9716 564 -1063 958 N ATOM 997 CA CYS A 462 -3.661 -43.257 18.268 1.00 57.72 C ANISOU 997 CA CYS A 462 6231 5787 9915 756 -1123 1124 C ATOM 998 C CYS A 462 -3.625 -44.777 18.188 1.00 60.50 C ANISOU 998 C CYS A 462 6573 5641 10771 894 -1290 1247 C ATOM 999 O CYS A 462 -4.628 -45.444 18.462 1.00 59.99 O ANISOU 999 O CYS A 462 6524 5253 11018 761 -1345 1493 O ATOM 1000 CB CYS A 462 -3.623 -42.804 19.727 1.00 58.69 C ANISOU 1000 CB CYS A 462 6336 6226 9735 679 -1049 1522 C ATOM 1001 SG CYS A 462 -2.202 -43.435 20.645 1.00 62.32 S ANISOU 1001 SG CYS A 462 6700 6797 10181 890 -1188 1805 S ATOM 1002 H CYS A 462 -5.530 -42.655 18.134 1.00 67.47 H ATOM 1003 HA CYS A 462 -2.876 -42.908 17.819 1.00 69.46 H ATOM 1004 HB2 CYS A 462 -3.587 -41.835 19.753 1.00 70.62 H ATOM 1005 HB3 CYS A 462 -4.426 -43.115 20.172 1.00 70.62 H ATOM 1006 N GLN A 463 -2.466 -45.322 17.814 1.00 69.06 N ANISOU 1006 N GLN A 463 7616 6653 11969 1168 -1371 1095 N ATOM 1007 CA GLN A 463 -2.343 -46.760 17.619 1.00 74.72 C ANISOU 1007 CA GLN A 463 8358 6836 13194 1355 -1543 1140 C ATOM 1008 C GLN A 463 -2.192 -47.530 18.925 1.00 78.32 C ANISOU 1008 C GLN A 463 8738 7178 13841 1384 -1629 1699 C ATOM 1009 O GLN A 463 -2.389 -48.749 18.930 1.00 81.99 O ANISOU 1009 O GLN A 463 9255 7184 14712 1431 -1757 1807 O ATOM 1010 CB GLN A 463 -1.153 -47.066 16.706 1.00 78.68 C ANISOU 1010 CB GLN A 463 8839 7306 13749 1705 -1557 759 C ATOM 1011 CG GLN A 463 -1.356 -46.629 15.264 1.00 77.23 C ANISOU 1011 CG GLN A 463 8777 7131 13436 1721 -1496 210 C ATOM 1012 CD GLN A 463 -2.557 -47.293 14.619 1.00 78.80 C ANISOU 1012 CD GLN A 463 9172 6809 13960 1585 -1653 48 C ATOM 1013 OE1 GLN A 463 -3.560 -46.640 14.327 1.00 76.77 O ANISOU 1013 OE1 GLN A 463 8971 6630 13569 1304 -1634 -18 O ATOM 1014 NE2 GLN A 463 -2.464 -48.599 14.396 1.00 83.33 N ANISOU 1014 NE2 GLN A 463 9857 6913 14892 1733 -1798 -12 N ATOM 1015 H GLN A 463 -1.742 -44.881 17.668 1.00 83.06 H ATOM 1016 HA GLN A 463 -3.147 -47.083 17.184 1.00 89.85 H ATOM 1017 HB2 GLN A 463 -0.371 -46.606 17.048 1.00 94.61 H ATOM 1018 HB3 GLN A 463 -0.997 -48.023 16.706 1.00 94.61 H ATOM 1019 HG2 GLN A 463 -1.494 -45.669 15.240 1.00 92.87 H ATOM 1020 HG3 GLN A 463 -0.569 -46.864 14.748 1.00 92.87 H ATOM 1021 HE21 GLN A 463 -1.749 -49.023 14.615 1.00100.19 H ATOM 1022 HE22 GLN A 463 -3.119 -49.021 14.032 1.00100.19 H ATOM 1023 N LYS A 464 -1.851 -46.858 20.025 1.00 76.06 N ANISOU 1023 N LYS A 464 8371 7351 13177 1316 -1551 2019 N ATOM 1024 CA LYS A 464 -1.713 -47.539 21.309 1.00 80.02 C ANISOU 1024 CA LYS A 464 8817 7810 13778 1340 -1637 2590 C ATOM 1025 C LYS A 464 -3.023 -47.510 22.096 1.00 81.41 C ANISOU 1025 C LYS A 464 9041 7967 13926 1059 -1549 2987 C ATOM 1026 O LYS A 464 -3.577 -48.563 22.427 1.00 86.61 O ANISOU 1026 O LYS A 464 9710 8291 14909 978 -1598 3259 O ATOM 1027 CB LYS A 464 -0.581 -46.909 22.126 1.00 79.74 C ANISOU 1027 CB LYS A 464 8684 8292 13322 1431 -1647 2742 C ATOM 1028 CG LYS A 464 -0.199 -47.722 23.353 1.00 83.14 C ANISOU 1028 CG LYS A 464 9067 8702 13821 1504 -1772 3292 C ATOM 1029 CD LYS A 464 0.879 -47.035 24.169 1.00 82.16 C ANISOU 1029 CD LYS A 464 8846 9101 13268 1567 -1854 3458 C ATOM 1030 CE LYS A 464 1.250 -47.849 25.397 1.00 86.64 C ANISOU 1030 CE LYS A 464 9422 9705 13790 1594 -1953 3916 C ATOM 1031 NZ LYS A 464 2.265 -47.152 26.236 1.00 86.76 N ANISOU 1031 NZ LYS A 464 9371 10243 13349 1613 -2080 4058 N ATOM 1032 H LYS A 464 -1.695 -46.013 20.054 1.00 91.47 H ATOM 1033 HA LYS A 464 -1.482 -48.468 21.151 1.00 96.22 H ATOM 1034 HB2 LYS A 464 0.206 -46.830 21.564 1.00 95.88 H ATOM 1035 HB3 LYS A 464 -0.861 -46.030 22.426 1.00 95.88 H ATOM 1036 HG2 LYS A 464 -0.979 -47.836 23.918 1.00 99.96 H ATOM 1037 HG3 LYS A 464 0.139 -48.586 23.071 1.00 99.96 H ATOM 1038 HD2 LYS A 464 1.673 -46.918 23.625 1.00 98.78 H ATOM 1039 HD3 LYS A 464 0.544 -46.178 24.470 1.00 98.78 H ATOM 1040 HE2 LYS A 464 0.457 -47.992 25.937 1.00104.16 H ATOM 1041 HE3 LYS A 464 1.622 -48.700 25.116 1.00104.16 H ATOM 1042 HZ1 LYS A 464 2.464 -47.649 26.947 1.00104.30 H ATOM 1043 HZ2 LYS A 464 3.006 -47.013 25.763 1.00104.30 H ATOM 1044 HZ3 LYS A 464 1.946 -46.368 26.511 1.00104.30 H ATOM 1045 N CYS A 465 -3.525 -46.317 22.398 1.00 65.78 N ANISOU 1045 N CYS A 465 7100 6420 11472 876 -1360 2941 N ATOM 1046 CA CYS A 465 -4.796 -46.150 23.089 1.00 64.19 C ANISOU 1046 CA CYS A 465 6915 6276 11197 651 -1204 3289 C ATOM 1047 C CYS A 465 -5.847 -45.618 22.121 1.00 60.41 C ANISOU 1047 C CYS A 465 6453 5698 10800 481 -1102 2956 C ATOM 1048 O CYS A 465 -5.558 -45.283 20.969 1.00 56.36 O ANISOU 1048 O CYS A 465 5977 5124 10314 529 -1154 2454 O ATOM 1049 CB CYS A 465 -4.647 -45.216 24.296 1.00 61.70 C ANISOU 1049 CB CYS A 465 6657 6528 10259 616 -1052 3518 C ATOM 1050 SG CYS A 465 -4.296 -43.494 23.888 1.00 52.61 S ANISOU 1050 SG CYS A 465 5604 5849 8535 580 -935 2987 S ATOM 1051 H CYS A 465 -3.138 -45.573 22.208 1.00 79.13 H ATOM 1052 HA CYS A 465 -5.099 -47.012 23.415 1.00 77.22 H ATOM 1053 HB2 CYS A 465 -5.473 -45.234 24.804 1.00 74.23 H ATOM 1054 HB3 CYS A 465 -3.919 -45.540 24.849 1.00 74.23 H ATOM 1055 N ASP A 466 -7.083 -45.541 22.607 1.00 84.35 N ANISOU 1055 N ASP A 466 9439 8745 13865 291 -950 3276 N ATOM 1056 CA ASP A 466 -8.231 -45.210 21.773 1.00 88.85 C ANISOU 1056 CA ASP A 466 9967 9175 14617 114 -890 3079 C ATOM 1057 C ASP A 466 -8.472 -43.710 21.649 1.00 83.96 C ANISOU 1057 C ASP A 466 9401 9000 13500 80 -676 2797 C ATOM 1058 O ASP A 466 -9.478 -43.307 21.056 1.00 84.19 O ANISOU 1058 O ASP A 466 9373 8974 13642 -56 -609 2683 O ATOM 1059 CB ASP A 466 -9.487 -45.889 22.325 1.00 90.62 C ANISOU 1059 CB ASP A 466 10042 9190 15201 -76 -827 3617 C ATOM 1060 CG ASP A 466 -9.394 -47.402 22.288 1.00 95.29 C ANISOU 1060 CG ASP A 466 10586 9354 16265 -100 -1054 3739 C ATOM 1061 OD1 ASP A 466 -8.724 -47.935 21.379 1.00 96.19 O ANISOU 1061 OD1 ASP A 466 10793 9141 16613 6 -1291 3352 O ATOM 1062 OD2 ASP A 466 -9.992 -48.058 23.167 1.00100.24 O ANISOU 1062 OD2 ASP A 466 11088 10013 16984 -210 -977 4180 O ATOM 1063 H ASP A 466 -7.284 -45.679 23.432 1.00101.42 H ATOM 1064 HA ASP A 466 -8.076 -45.557 20.881 1.00106.81 H ATOM 1065 HB2 ASP A 466 -9.614 -45.618 23.248 1.00108.94 H ATOM 1066 HB3 ASP A 466 -10.252 -45.622 21.792 1.00108.94 H ATOM 1067 N ARG A 467 -7.582 -42.877 22.183 1.00 70.80 N ANISOU 1067 N ARG A 467 7839 7743 11318 191 -602 2691 N ATOM 1068 CA ARG A 467 -7.745 -41.433 22.079 1.00 66.77 C ANISOU 1068 CA ARG A 467 7415 7592 10363 160 -432 2409 C ATOM 1069 C ARG A 467 -7.396 -40.966 20.672 1.00 61.56 C ANISOU 1069 C ARG A 467 6779 6843 9766 161 -541 1883 C ATOM 1070 O ARG A 467 -6.358 -41.347 20.120 1.00 62.96 O ANISOU 1070 O ARG A 467 6963 6932 10027 270 -706 1670 O ATOM 1071 CB ARG A 467 -6.873 -40.717 23.109 1.00 67.92 C ANISOU 1071 CB ARG A 467 7692 8156 9957 247 -384 2455 C ATOM 1072 CG ARG A 467 -7.570 -40.499 24.442 1.00 72.12 C ANISOU 1072 CG ARG A 467 8280 8946 10174 240 -156 2858 C ATOM 1073 CD ARG A 467 -6.644 -39.893 25.484 1.00 76.70 C ANISOU 1073 CD ARG A 467 9045 9917 10181 323 -184 2882 C ATOM 1074 NE ARG A 467 -6.176 -38.560 25.108 1.00 74.76 N ANISOU 1074 NE ARG A 467 8941 9876 9589 308 -202 2420 N ATOM 1075 CZ ARG A 467 -6.889 -37.445 25.240 1.00 74.20 C ANISOU 1075 CZ ARG A 467 9001 9970 9220 289 8 2257 C ATOM 1076 NH1 ARG A 467 -8.121 -37.486 25.731 1.00 76.11 N ANISOU 1076 NH1 ARG A 467 9221 10246 9450 307 290 2517 N ATOM 1077 NH2 ARG A 467 -6.370 -36.281 24.873 1.00 72.41 N ANISOU 1077 NH2 ARG A 467 8911 9865 8738 259 -58 1856 N ATOM 1078 H ARG A 467 -6.877 -43.123 22.609 1.00 85.15 H ATOM 1079 HA ARG A 467 -8.671 -41.203 22.254 1.00 80.32 H ATOM 1080 HB2 ARG A 467 -6.078 -41.248 23.272 1.00 81.69 H ATOM 1081 HB3 ARG A 467 -6.623 -39.848 22.758 1.00 81.69 H ATOM 1082 HG2 ARG A 467 -8.317 -39.894 24.314 1.00 86.73 H ATOM 1083 HG3 ARG A 467 -7.885 -41.352 24.779 1.00 86.73 H ATOM 1084 HD2 ARG A 467 -7.117 -39.822 26.328 1.00 92.24 H ATOM 1085 HD3 ARG A 467 -5.867 -40.465 25.587 1.00 92.24 H ATOM 1086 HE ARG A 467 -5.385 -38.492 24.779 1.00 89.91 H ATOM 1087 HH11 ARG A 467 -8.467 -38.235 25.973 1.00 91.52 H ATOM 1088 HH12 ARG A 467 -8.575 -36.760 25.811 1.00 91.52 H ATOM 1089 HH21 ARG A 467 -5.573 -36.248 24.552 1.00 87.09 H ATOM 1090 HH22 ARG A 467 -6.831 -35.560 24.954 1.00 87.09 H ATOM 1091 N ALA A 468 -8.267 -40.140 20.095 1.00 49.41 N ANISOU 1091 N ALA A 468 5241 5350 8181 60 -432 1700 N ATOM 1092 CA ALA A 468 -8.075 -39.598 18.759 1.00 44.75 C ANISOU 1092 CA ALA A 468 4685 4718 7600 45 -517 1248 C ATOM 1093 C ALA A 468 -8.172 -38.080 18.813 1.00 39.32 C ANISOU 1093 C ALA A 468 4084 4355 6501 13 -362 1076 C ATOM 1094 O ALA A 468 -8.787 -37.506 19.716 1.00 41.13 O ANISOU 1094 O ALA A 468 4341 4762 6523 -1 -173 1271 O ATOM 1095 CB ALA A 468 -9.106 -40.157 17.770 1.00 46.25 C ANISOU 1095 CB ALA A 468 4796 4562 8216 -65 -622 1183 C ATOM 1096 H ALA A 468 -8.994 -39.875 20.470 1.00 59.48 H ATOM 1097 HA ALA A 468 -7.190 -39.833 18.439 1.00 53.90 H ATOM 1098 HB1 ALA A 468 -8.945 -39.771 16.895 1.00 55.70 H ATOM 1099 HB2 ALA A 468 -9.012 -41.122 17.728 1.00 55.70 H ATOM 1100 HB3 ALA A 468 -9.996 -39.924 18.077 1.00 55.70 H ATOM 1101 N PHE A 469 -7.560 -37.433 17.824 1.00 33.13 N ANISOU 1101 N PHE A 469 3350 3636 5599 18 -435 712 N ATOM 1102 CA PHE A 469 -7.462 -35.983 17.787 1.00 31.10 C ANISOU 1102 CA PHE A 469 3191 3634 4991 -21 -339 537 C ATOM 1103 C PHE A 469 -7.801 -35.476 16.394 1.00 29.37 C ANISOU 1103 C PHE A 469 2966 3343 4851 -82 -387 256 C ATOM 1104 O PHE A 469 -7.716 -36.204 15.402 1.00 29.67 O ANISOU 1104 O PHE A 469 2961 3198 5114 -69 -519 116 O ATOM 1105 CB PHE A 469 -6.058 -35.512 18.185 1.00 30.80 C ANISOU 1105 CB PHE A 469 3219 3834 4649 21 -400 450 C ATOM 1106 CG PHE A 469 -5.558 -36.122 19.460 1.00 32.96 C ANISOU 1106 CG PHE A 469 3500 4191 4832 89 -424 725 C ATOM 1107 CD1 PHE A 469 -4.852 -37.312 19.441 1.00 34.53 C ANISOU 1107 CD1 PHE A 469 3594 4266 5258 185 -556 830 C ATOM 1108 CD2 PHE A 469 -5.800 -35.512 20.676 1.00 33.94 C ANISOU 1108 CD2 PHE A 469 3756 4513 4627 81 -319 879 C ATOM 1109 CE1 PHE A 469 -4.394 -37.879 20.612 1.00 36.92 C ANISOU 1109 CE1 PHE A 469 3897 4648 5483 250 -603 1131 C ATOM 1110 CE2 PHE A 469 -5.345 -36.074 21.850 1.00 36.61 C ANISOU 1110 CE2 PHE A 469 4123 4962 4825 143 -360 1155 C ATOM 1111 CZ PHE A 469 -4.640 -37.259 21.818 1.00 38.84 C ANISOU 1111 CZ PHE A 469 4274 5127 5358 217 -513 1305 C ATOM 1112 H PHE A 469 -7.188 -37.822 17.153 1.00 39.53 H ATOM 1113 HA PHE A 469 -8.098 -35.600 18.411 1.00 37.09 H ATOM 1114 HB2 PHE A 469 -5.437 -35.749 17.479 1.00 36.74 H ATOM 1115 HB3 PHE A 469 -6.072 -34.549 18.302 1.00 36.74 H ATOM 1116 HD1 PHE A 469 -4.684 -37.734 18.629 1.00 41.21 H ATOM 1117 HD2 PHE A 469 -6.275 -34.713 20.703 1.00 40.51 H ATOM 1118 HE1 PHE A 469 -3.919 -38.678 20.588 1.00 44.50 H ATOM 1119 HE2 PHE A 469 -5.512 -35.653 22.662 1.00 44.12 H ATOM 1120 HZ PHE A 469 -4.332 -37.639 22.609 1.00 46.81 H ATOM 1121 N SER A 470 -8.183 -34.201 16.334 1.00 36.03 N ANISOU 1121 N SER A 470 3880 4324 5486 -135 -288 171 N ATOM 1122 CA SER A 470 -8.556 -33.564 15.080 1.00 36.60 C ANISOU 1122 CA SER A 470 3954 4360 5593 -198 -335 -40 C ATOM 1123 C SER A 470 -7.356 -33.107 14.263 1.00 37.54 C ANISOU 1123 C SER A 470 4117 4613 5534 -202 -418 -276 C ATOM 1124 O SER A 470 -7.525 -32.773 13.085 1.00 39.39 O ANISOU 1124 O SER A 470 4355 4831 5781 -242 -474 -437 O ATOM 1125 CB SER A 470 -9.456 -32.361 15.359 1.00 36.87 C ANISOU 1125 CB SER A 470 4037 4459 5515 -227 -193 -1 C ATOM 1126 OG SER A 470 -8.774 -31.403 16.148 1.00 36.72 O ANISOU 1126 OG SER A 470 4165 4618 5170 -210 -124 -42 O ATOM 1127 H SER A 470 -8.234 -33.680 17.016 1.00 43.43 H ATOM 1128 HA SER A 470 -9.059 -34.196 14.543 1.00 44.11 H ATOM 1129 HB2 SER A 470 -9.711 -31.954 14.516 1.00 44.44 H ATOM 1130 HB3 SER A 470 -10.246 -32.660 15.836 1.00 44.44 H ATOM 1131 HG SER A 470 -9.274 -30.745 16.297 1.00 44.26 H ATOM 1132 N ARG A 471 -6.161 -33.081 14.850 1.00 33.23 N ANISOU 1132 N ARG A 471 3583 4222 4822 -166 -434 -265 N ATOM 1133 CA ARG A 471 -4.983 -32.533 14.196 1.00 31.00 C ANISOU 1133 CA ARG A 471 3281 4115 4382 -187 -485 -418 C ATOM 1134 C ARG A 471 -3.808 -33.489 14.349 1.00 33.31 C ANISOU 1134 C ARG A 471 3464 4464 4730 -70 -549 -392 C ATOM 1135 O ARG A 471 -3.670 -34.175 15.365 1.00 34.96 O ANISOU 1135 O ARG A 471 3654 4636 4992 -8 -571 -222 O ATOM 1136 CB ARG A 471 -4.619 -31.160 14.779 1.00 28.96 C ANISOU 1136 CB ARG A 471 3118 4018 3866 -298 -470 -413 C ATOM 1137 CG ARG A 471 -5.697 -30.106 14.583 1.00 25.15 C ANISOU 1137 CG ARG A 471 2751 3461 3345 -369 -399 -450 C ATOM 1138 CD ARG A 471 -5.552 -28.946 15.555 1.00 24.69 C ANISOU 1138 CD ARG A 471 2857 3466 3059 -432 -386 -445 C ATOM 1139 NE ARG A 471 -4.213 -28.365 15.537 1.00 25.57 N ANISOU 1139 NE ARG A 471 2962 3727 3027 -543 -514 -495 N ATOM 1140 CZ ARG A 471 -3.919 -27.141 15.967 1.00 29.01 C ANISOU 1140 CZ ARG A 471 3552 4177 3294 -662 -581 -549 C ATOM 1141 NH1 ARG A 471 -2.670 -26.703 15.915 1.00 29.43 N ANISOU 1141 NH1 ARG A 471 3546 4360 3276 -804 -736 -552 N ATOM 1142 NH2 ARG A 471 -4.870 -26.345 16.438 1.00 31.39 N ANISOU 1142 NH2 ARG A 471 4057 4346 3522 -634 -502 -595 N ATOM 1143 H ARG A 471 -6.007 -33.381 15.641 1.00 40.07 H ATOM 1144 HA ARG A 471 -5.161 -32.422 13.249 1.00 37.39 H ATOM 1145 HB2 ARG A 471 -4.460 -31.253 15.731 1.00 34.94 H ATOM 1146 HB3 ARG A 471 -3.817 -30.842 14.338 1.00 34.94 H ATOM 1147 HG2 ARG A 471 -5.636 -29.753 13.682 1.00 30.38 H ATOM 1148 HG3 ARG A 471 -6.568 -30.509 14.725 1.00 30.38 H ATOM 1149 HD2 ARG A 471 -6.190 -28.256 15.318 1.00 29.82 H ATOM 1150 HD3 ARG A 471 -5.728 -29.264 16.454 1.00 29.82 H ATOM 1151 HE ARG A 471 -3.584 -28.819 15.166 1.00 30.88 H ATOM 1152 HH11 ARG A 471 -2.048 -27.212 15.607 1.00 35.51 H ATOM 1153 HH12 ARG A 471 -2.481 -25.910 16.188 1.00 35.51 H ATOM 1154 HH21 ARG A 471 -5.684 -26.617 16.478 1.00 37.86 H ATOM 1155 HH22 ARG A 471 -4.670 -25.555 16.711 1.00 37.86 H ATOM 1156 N SER A 472 -2.957 -33.522 13.321 1.00 48.26 N ANISOU 1156 N SER A 472 5271 6463 6604 -20 -563 -538 N ATOM 1157 CA SER A 472 -1.782 -34.387 13.359 1.00 48.78 C ANISOU 1157 CA SER A 472 5191 6598 6744 142 -595 -519 C ATOM 1158 C SER A 472 -0.815 -33.954 14.452 1.00 46.52 C ANISOU 1158 C SER A 472 4825 6521 6329 88 -654 -347 C ATOM 1159 O SER A 472 -0.194 -34.798 15.108 1.00 54.78 O ANISOU 1159 O SER A 472 5772 7568 7476 214 -717 -213 O ATOM 1160 CB SER A 472 -1.084 -34.385 11.999 1.00 54.74 C ANISOU 1160 CB SER A 472 5859 7484 7456 237 -540 -706 C ATOM 1161 OG SER A 472 -0.681 -33.078 11.630 1.00 57.71 O ANISOU 1161 OG SER A 472 6203 8104 7619 74 -501 -705 O ATOM 1162 H SER A 472 -3.038 -33.059 12.601 1.00 58.11 H ATOM 1163 HA SER A 472 -2.064 -35.295 13.550 1.00 58.73 H ATOM 1164 HB2 SER A 472 -0.300 -34.954 12.047 1.00 65.88 H ATOM 1165 HB3 SER A 472 -1.696 -34.722 11.328 1.00 65.88 H ATOM 1166 HG SER A 472 -0.300 -33.095 10.882 1.00 69.44 H ATOM 1167 N ASP A 473 -0.675 -32.644 14.667 1.00 29.02 N ANISOU 1167 N ASP A 473 2661 4462 3904 -104 -671 -342 N ATOM 1168 CA ASP A 473 0.268 -32.159 15.670 1.00 30.51 C ANISOU 1168 CA ASP A 473 2798 4837 3956 -196 -796 -207 C ATOM 1169 C ASP A 473 -0.174 -32.545 17.076 1.00 30.54 C ANISOU 1169 C ASP A 473 2937 4768 3899 -173 -853 -56 C ATOM 1170 O ASP A 473 0.661 -32.880 17.924 1.00 34.95 O ANISOU 1170 O ASP A 473 3415 5449 4416 -145 -986 99 O ATOM 1171 CB ASP A 473 0.434 -30.643 15.546 1.00 32.75 C ANISOU 1171 CB ASP A 473 3156 5230 4058 -431 -840 -262 C ATOM 1172 CG ASP A 473 -0.869 -29.894 15.729 1.00 32.30 C ANISOU 1172 CG ASP A 473 3363 4999 3909 -511 -774 -342 C ATOM 1173 OD1 ASP A 473 -1.936 -30.541 15.724 1.00 33.88 O ANISOU 1173 OD1 ASP A 473 3636 5031 4206 -398 -670 -349 O ATOM 1174 OD2 ASP A 473 -0.827 -28.653 15.867 1.00 34.42 O ANISOU 1174 OD2 ASP A 473 3753 5285 4042 -684 -834 -387 O ATOM 1175 H ASP A 473 -1.107 -32.027 14.251 1.00 35.02 H ATOM 1176 HA ASP A 473 1.133 -32.567 15.509 1.00 36.80 H ATOM 1177 HB2 ASP A 473 1.054 -30.336 16.226 1.00 39.49 H ATOM 1178 HB3 ASP A 473 0.779 -30.434 14.664 1.00 39.49 H ATOM 1179 N HIS A 474 -1.482 -32.512 17.343 1.00 31.40 N ANISOU 1179 N HIS A 474 3231 4706 3995 -176 -749 -63 N ATOM 1180 CA HIS A 474 -1.986 -32.960 18.638 1.00 31.83 C ANISOU 1180 CA HIS A 474 3399 4723 3971 -127 -742 124 C ATOM 1181 C HIS A 474 -1.646 -34.426 18.876 1.00 32.66 C ANISOU 1181 C HIS A 474 3361 4751 4299 34 -789 306 C ATOM 1182 O HIS A 474 -1.196 -34.803 19.964 1.00 34.44 O ANISOU 1182 O HIS A 474 3592 5069 4423 72 -884 515 O ATOM 1183 CB HIS A 474 -3.496 -32.742 18.715 1.00 31.53 C ANISOU 1183 CB HIS A 474 3505 4531 3943 -132 -571 121 C ATOM 1184 CG HIS A 474 -3.892 -31.315 18.932 1.00 31.50 C ANISOU 1184 CG HIS A 474 3694 4583 3692 -236 -523 -6 C ATOM 1185 ND1 HIS A 474 -5.208 -30.916 19.024 1.00 32.32 N ANISOU 1185 ND1 HIS A 474 3905 4581 3793 -210 -349 -8 N ATOM 1186 CD2 HIS A 474 -3.147 -30.194 19.080 1.00 33.08 C ANISOU 1186 CD2 HIS A 474 3993 4902 3672 -358 -641 -127 C ATOM 1187 CE1 HIS A 474 -5.256 -29.610 19.218 1.00 33.83 C ANISOU 1187 CE1 HIS A 474 4281 4809 3764 -276 -345 -151 C ATOM 1188 NE2 HIS A 474 -4.020 -29.148 19.255 1.00 33.01 N ANISOU 1188 NE2 HIS A 474 4192 4820 3529 -386 -539 -231 N ATOM 1189 H HIS A 474 -2.089 -32.238 16.798 1.00 37.88 H ATOM 1190 HA HIS A 474 -1.567 -32.438 19.340 1.00 38.39 H ATOM 1191 HB2 HIS A 474 -3.897 -33.037 17.883 1.00 38.03 H ATOM 1192 HB3 HIS A 474 -3.849 -33.263 19.453 1.00 38.03 H ATOM 1193 HD2 HIS A 474 -2.219 -30.142 19.065 1.00 39.89 H ATOM 1194 HE1 HIS A 474 -6.029 -29.102 19.311 1.00 40.79 H ATOM 1195 HE2 HIS A 474 -3.797 -28.325 19.370 1.00 39.80 H ATOM 1196 N LEU A 475 -1.862 -35.273 17.866 1.00 35.62 N ANISOU 1196 N LEU A 475 3629 4934 4973 136 -747 227 N ATOM 1197 CA LEU A 475 -1.536 -36.688 18.005 1.00 36.58 C ANISOU 1197 CA LEU A 475 3636 4901 5362 310 -808 371 C ATOM 1198 C LEU A 475 -0.048 -36.886 18.257 1.00 40.43 C ANISOU 1198 C LEU A 475 3952 5582 5826 406 -935 445 C ATOM 1199 O LEU A 475 0.345 -37.753 19.046 1.00 44.70 O ANISOU 1199 O LEU A 475 4429 6087 6467 521 -1030 686 O ATOM 1200 CB LEU A 475 -1.969 -37.454 16.754 1.00 34.20 C ANISOU 1200 CB LEU A 475 3301 4330 5361 407 -775 186 C ATOM 1201 CG LEU A 475 -1.652 -38.953 16.752 1.00 36.30 C ANISOU 1201 CG LEU A 475 3487 4341 5964 611 -857 279 C ATOM 1202 CD1 LEU A 475 -2.450 -39.679 17.826 1.00 38.08 C ANISOU 1202 CD1 LEU A 475 3764 4372 6335 579 -882 607 C ATOM 1203 CD2 LEU A 475 -1.919 -39.561 15.385 1.00 37.11 C ANISOU 1203 CD2 LEU A 475 3614 4189 6297 716 -859 -9 C ATOM 1204 H LEU A 475 -2.191 -35.055 17.102 1.00 42.94 H ATOM 1205 HA LEU A 475 -2.020 -37.050 18.763 1.00 44.09 H ATOM 1206 HB2 LEU A 475 -2.929 -37.360 16.654 1.00 41.23 H ATOM 1207 HB3 LEU A 475 -1.525 -37.062 15.986 1.00 41.23 H ATOM 1208 HG LEU A 475 -0.711 -39.080 16.947 1.00 43.76 H ATOM 1209 HD11 LEU A 475 -2.272 -40.630 17.761 1.00 45.89 H ATOM 1210 HD12 LEU A 475 -2.179 -39.351 18.698 1.00 45.89 H ATOM 1211 HD13 LEU A 475 -3.395 -39.509 17.686 1.00 45.89 H ATOM 1212 HD21 LEU A 475 -1.573 -40.467 15.371 1.00 44.72 H ATOM 1213 HD22 LEU A 475 -2.875 -39.570 15.225 1.00 44.72 H ATOM 1214 HD23 LEU A 475 -1.473 -39.027 14.709 1.00 44.72 H ATOM 1215 N ALA A 476 0.796 -36.095 17.591 1.00 35.73 N ANISOU 1215 N ALA A 476 3250 5201 5123 357 -945 286 N ATOM 1216 CA ALA A 476 2.239 -36.237 17.755 1.00 37.97 C ANISOU 1216 CA ALA A 476 3294 5703 5429 439 -1063 389 C ATOM 1217 C ALA A 476 2.650 -35.991 19.201 1.00 44.35 C ANISOU 1217 C ALA A 476 4134 6678 6040 343 -1249 638 C ATOM 1218 O ALA A 476 3.399 -36.779 19.791 1.00 47.38 O ANISOU 1218 O ALA A 476 4363 7106 6533 481 -1382 859 O ATOM 1219 CB ALA A 476 2.967 -35.277 16.816 1.00 36.75 C ANISOU 1219 CB ALA A 476 2998 5780 5188 347 -1021 230 C ATOM 1220 H ALA A 476 0.559 -35.475 17.044 1.00 43.06 H ATOM 1221 HA ALA A 476 2.497 -37.142 17.519 1.00 45.76 H ATOM 1222 HB1 ALA A 476 3.924 -35.383 16.936 1.00 43.95 H ATOM 1223 HB2 ALA A 476 2.723 -35.486 15.901 1.00 43.95 H ATOM 1224 HB3 ALA A 476 2.705 -34.368 17.029 1.00 43.95 H ATOM 1225 N LEU A 477 2.168 -34.895 19.789 1.00 48.44 N ANISOU 1225 N LEU A 477 4870 7283 6251 124 -1276 599 N ATOM 1226 CA LEU A 477 2.485 -34.597 21.181 1.00 57.32 C ANISOU 1226 CA LEU A 477 6105 8573 7100 32 -1471 785 C ATOM 1227 C LEU A 477 1.983 -35.698 22.106 1.00 64.68 C ANISOU 1227 C LEU A 477 7116 9395 8064 180 -1464 1049 C ATOM 1228 O LEU A 477 2.638 -36.033 23.100 1.00 71.34 O ANISOU 1228 O LEU A 477 7927 10385 8794 209 -1664 1294 O ATOM 1229 CB LEU A 477 1.880 -33.250 21.575 1.00 52.70 C ANISOU 1229 CB LEU A 477 5816 8035 6172 -179 -1464 627 C ATOM 1230 CG LEU A 477 2.293 -32.062 20.704 1.00 48.42 C ANISOU 1230 CG LEU A 477 5226 7557 5616 -364 -1489 407 C ATOM 1231 CD1 LEU A 477 1.414 -30.856 20.989 1.00 47.23 C ANISOU 1231 CD1 LEU A 477 5411 7334 5202 -512 -1438 229 C ATOM 1232 CD2 LEU A 477 3.759 -31.719 20.919 1.00 49.66 C ANISOU 1232 CD2 LEU A 477 5162 7951 5755 -487 -1769 503 C ATOM 1233 H LEU A 477 1.660 -34.316 19.407 1.00 58.32 H ATOM 1234 HA LEU A 477 3.448 -34.536 21.281 1.00 68.97 H ATOM 1235 HB2 LEU A 477 0.914 -33.322 21.529 1.00 63.43 H ATOM 1236 HB3 LEU A 477 2.146 -33.049 22.486 1.00 63.43 H ATOM 1237 HG LEU A 477 2.178 -32.298 19.771 1.00 58.30 H ATOM 1238 HD11 LEU A 477 1.698 -30.119 20.426 1.00 56.87 H ATOM 1239 HD12 LEU A 477 0.492 -31.085 20.794 1.00 56.87 H ATOM 1240 HD13 LEU A 477 1.505 -30.613 21.924 1.00 56.87 H ATOM 1241 HD21 LEU A 477 3.982 -30.941 20.385 1.00 59.78 H ATOM 1242 HD22 LEU A 477 3.903 -31.528 21.859 1.00 59.78 H ATOM 1243 HD23 LEU A 477 4.303 -32.475 20.648 1.00 59.78 H ATOM 1244 N HIS A 478 0.818 -36.273 21.796 1.00 46.31 N ANISOU 1244 N HIS A 478 4879 6814 5903 255 -1258 1041 N ATOM 1245 CA HIS A 478 0.267 -37.328 22.639 1.00 48.18 C ANISOU 1245 CA HIS A 478 5167 6923 6216 364 -1237 1350 C ATOM 1246 C HIS A 478 1.188 -38.538 22.708 1.00 48.46 C ANISOU 1246 C HIS A 478 4978 6890 6547 552 -1389 1570 C ATOM 1247 O HIS A 478 1.239 -39.221 23.738 1.00 53.31 O ANISOU 1247 O HIS A 478 5615 7516 7125 618 -1483 1914 O ATOM 1248 CB HIS A 478 -1.107 -37.750 22.122 1.00 46.90 C ANISOU 1248 CB HIS A 478 5071 6470 6280 377 -1019 1316 C ATOM 1249 CG HIS A 478 -1.637 -38.987 22.775 1.00 53.81 C ANISOU 1249 CG HIS A 478 5931 7151 7362 471 -1002 1674 C ATOM 1250 ND1 HIS A 478 -2.104 -39.001 24.072 1.00 56.42 N ANISOU 1250 ND1 HIS A 478 6397 7619 7420 445 -956 1993 N ATOM 1251 CD2 HIS A 478 -1.760 -40.255 22.317 1.00 55.58 C ANISOU 1251 CD2 HIS A 478 6034 7043 8042 589 -1031 1781 C ATOM 1252 CE1 HIS A 478 -2.500 -40.223 24.381 1.00 56.85 C ANISOU 1252 CE1 HIS A 478 6381 7447 7774 522 -949 2333 C ATOM 1253 NE2 HIS A 478 -2.300 -41.003 23.334 1.00 58.99 N ANISOU 1253 NE2 HIS A 478 6502 7398 8514 602 -1015 2201 N ATOM 1254 H HIS A 478 0.336 -36.072 21.113 1.00 55.77 H ATOM 1255 HA HIS A 478 0.156 -36.985 23.540 1.00 58.01 H ATOM 1256 HB2 HIS A 478 -1.738 -37.032 22.288 1.00 56.48 H ATOM 1257 HB3 HIS A 478 -1.045 -37.920 21.169 1.00 56.48 H ATOM 1258 HD1 HIS A 478 -2.137 -38.320 24.596 1.00 67.89 H ATOM 1259 HD2 HIS A 478 -1.525 -40.561 21.471 1.00 66.89 H ATOM 1260 HE1 HIS A 478 -2.857 -40.489 25.198 1.00 68.42 H ATOM 1261 N MET A 479 1.917 -38.826 21.626 1.00 74.16 N ANISOU 1261 N MET A 479 8015 10077 10086 668 -1402 1393 N ATOM 1262 CA MET A 479 2.780 -40.000 21.601 1.00 71.63 C ANISOU 1262 CA MET A 479 7469 9652 10093 911 -1517 1573 C ATOM 1263 C MET A 479 3.885 -39.929 22.644 1.00 69.81 C ANISOU 1263 C MET A 479 7111 9716 9697 919 -1765 1859 C ATOM 1264 O MET A 479 4.412 -40.973 23.043 1.00 72.17 O ANISOU 1264 O MET A 479 7264 9923 10234 1120 -1890 2138 O ATOM 1265 CB MET A 479 3.395 -40.168 20.210 1.00 70.03 C ANISOU 1265 CB MET A 479 7069 9387 10153 1071 -1435 1286 C ATOM 1266 CG MET A 479 2.391 -40.516 19.119 1.00 63.53 C ANISOU 1266 CG MET A 479 6377 8233 9529 1109 -1257 1011 C ATOM 1267 SD MET A 479 1.384 -41.965 19.501 1.00 62.97 S ANISOU 1267 SD MET A 479 6434 7672 9822 1210 -1282 1224 S ATOM 1268 CE MET A 479 2.651 -43.188 19.834 1.00 62.40 C ANISOU 1268 CE MET A 479 6133 7501 10077 1546 -1444 1466 C ATOM 1269 H MET A 479 1.927 -38.361 20.903 1.00 89.19 H ATOM 1270 HA MET A 479 2.240 -40.783 21.788 1.00 86.14 H ATOM 1271 HB2 MET A 479 3.824 -39.335 19.959 1.00 84.23 H ATOM 1272 HB3 MET A 479 4.056 -40.877 20.244 1.00 84.23 H ATOM 1273 HG2 MET A 479 1.793 -39.763 18.992 1.00 76.43 H ATOM 1274 HG3 MET A 479 2.872 -40.697 18.296 1.00 76.43 H ATOM 1275 HE1 MET A 479 2.230 -44.054 19.953 1.00 75.08 H ATOM 1276 HE2 MET A 479 3.264 -43.219 19.083 1.00 75.08 H ATOM 1277 HE3 MET A 479 3.128 -42.938 20.641 1.00 75.08 H ATOM 1278 N LYS A 480 4.247 -38.727 23.097 1.00 58.44 N ANISOU 1278 N LYS A 480 5730 8602 7873 700 -1875 1801 N ATOM 1279 CA LYS A 480 5.300 -38.606 24.098 1.00 58.54 C ANISOU 1279 CA LYS A 480 5631 8905 7707 667 -2182 2063 C ATOM 1280 C LYS A 480 4.890 -39.244 25.417 1.00 63.46 C ANISOU 1280 C LYS A 480 6436 9518 8157 705 -2286 2431 C ATOM 1281 O LYS A 480 5.743 -39.757 26.150 1.00 65.80 O ANISOU 1281 O LYS A 480 6584 9951 8467 794 -2547 2752 O ATOM 1282 CB LYS A 480 5.660 -37.135 24.299 1.00 53.28 C ANISOU 1282 CB LYS A 480 5051 8527 6664 380 -2319 1886 C ATOM 1283 CG LYS A 480 6.163 -36.459 23.034 1.00 50.84 C ANISOU 1283 CG LYS A 480 4528 8268 6522 314 -2228 1609 C ATOM 1284 CD LYS A 480 6.633 -35.040 23.300 1.00 52.96 C ANISOU 1284 CD LYS A 480 4857 8779 6487 -1 -2431 1496 C ATOM 1285 CE LYS A 480 7.119 -34.373 22.022 1.00 54.66 C ANISOU 1285 CE LYS A 480 4833 9051 6885 -84 -2321 1295 C ATOM 1286 NZ LYS A 480 7.633 -32.998 22.267 1.00 57.73 N ANISOU 1286 NZ LYS A 480 5258 9624 7053 -427 -2561 1225 N ATOM 1287 H LYS A 480 3.904 -37.980 22.844 1.00 70.32 H ATOM 1288 HA LYS A 480 6.089 -39.068 23.781 1.00 70.44 H ATOM 1289 HB2 LYS A 480 4.871 -36.657 24.599 1.00 64.12 H ATOM 1290 HB3 LYS A 480 6.359 -37.071 24.969 1.00 64.12 H ATOM 1291 HG2 LYS A 480 6.911 -36.964 22.678 1.00 61.20 H ATOM 1292 HG3 LYS A 480 5.444 -36.423 22.384 1.00 61.20 H ATOM 1293 HD2 LYS A 480 5.896 -34.519 23.655 1.00 63.75 H ATOM 1294 HD3 LYS A 480 7.368 -35.058 23.933 1.00 63.75 H ATOM 1295 HE2 LYS A 480 7.838 -34.901 21.642 1.00 65.79 H ATOM 1296 HE3 LYS A 480 6.382 -34.312 21.395 1.00 65.79 H ATOM 1297 HZ1 LYS A 480 7.890 -32.628 21.499 1.00 69.47 H ATOM 1298 HZ2 LYS A 480 6.995 -32.495 22.631 1.00 69.47 H ATOM 1299 HZ3 LYS A 480 8.329 -33.028 22.821 1.00 69.47 H ATOM 1300 N ARG A 481 3.597 -39.230 25.734 1.00 73.74 N ANISOU 1300 N ARG A 481 8033 10684 9300 648 -2083 2430 N ATOM 1301 CA ARG A 481 3.108 -39.879 26.943 1.00 83.38 C ANISOU 1301 CA ARG A 481 9417 11913 10348 693 -2116 2829 C ATOM 1302 C ARG A 481 3.121 -41.399 26.840 1.00 90.94 C ANISOU 1302 C ARG A 481 10196 12559 11798 920 -2117 3147 C ATOM 1303 O ARG A 481 2.732 -42.070 27.803 1.00 92.37 O ANISOU 1303 O ARG A 481 10478 12718 11902 961 -2144 3557 O ATOM 1304 CB ARG A 481 1.694 -39.383 27.256 1.00 82.98 C ANISOU 1304 CB ARG A 481 9681 11835 10010 582 -1843 2760 C ATOM 1305 CG ARG A 481 1.631 -37.889 27.553 1.00 81.08 C ANISOU 1305 CG ARG A 481 9688 11865 9254 395 -1857 2463 C ATOM 1306 CD ARG A 481 0.226 -37.324 27.409 1.00 76.31 C ANISOU 1306 CD ARG A 481 9315 11169 8512 340 -1520 2288 C ATOM 1307 NE ARG A 481 -0.615 -37.596 28.572 1.00 76.73 N ANISOU 1307 NE ARG A 481 9587 11327 8240 390 -1376 2601 N ATOM 1308 CZ ARG A 481 -0.601 -36.880 29.694 1.00 77.49 C ANISOU 1308 CZ ARG A 481 9987 11731 7726 356 -1433 2620 C ATOM 1309 NH1 ARG A 481 0.220 -35.846 29.823 1.00 77.52 N ANISOU 1309 NH1 ARG A 481 10119 11919 7418 238 -1689 2332 N ATOM 1310 NH2 ARG A 481 -1.407 -37.203 30.696 1.00 79.62 N ANISOU 1310 NH2 ARG A 481 10439 12124 7687 438 -1240 2936 N ATOM 1311 H ARG A 481 2.984 -38.851 25.265 1.00 88.68 H ATOM 1312 HA ARG A 481 3.681 -39.628 27.685 1.00100.24 H ATOM 1313 HB2 ARG A 481 1.124 -39.561 26.492 1.00 99.76 H ATOM 1314 HB3 ARG A 481 1.360 -39.856 28.034 1.00 99.76 H ATOM 1315 HG2 ARG A 481 1.924 -37.735 28.465 1.00 97.49 H ATOM 1316 HG3 ARG A 481 2.209 -37.416 26.934 1.00 97.49 H ATOM 1317 HD2 ARG A 481 0.281 -36.363 27.292 1.00 91.77 H ATOM 1318 HD3 ARG A 481 -0.198 -37.726 26.635 1.00 91.77 H ATOM 1319 HE ARG A 481 -1.155 -38.264 28.529 1.00 92.27 H ATOM 1320 HH11 ARG A 481 0.747 -35.627 29.180 1.00 93.22 H ATOM 1321 HH12 ARG A 481 0.223 -35.391 30.553 1.00 93.22 H ATOM 1322 HH21 ARG A 481 -1.940 -37.873 30.620 1.00 95.73 H ATOM 1323 HH22 ARG A 481 -1.396 -36.743 31.422 1.00 95.73 H ATOM 1324 N HIS A 482 3.557 -41.952 25.706 1.00 76.76 N ANISOU 1324 N HIS A 482 8158 10515 10492 1078 -2086 2973 N ATOM 1325 CA HIS A 482 3.650 -43.392 25.517 1.00 81.65 C ANISOU 1325 CA HIS A 482 8631 10765 11628 1325 -2115 3210 C ATOM 1326 C HIS A 482 5.081 -43.901 25.433 1.00 83.09 C ANISOU 1326 C HIS A 482 8496 11012 12063 1559 -2339 3333 C ATOM 1327 O HIS A 482 5.284 -45.121 25.404 1.00 89.35 O ANISOU 1327 O HIS A 482 9229 11483 13238 1768 -2342 3469 O ATOM 1328 CB HIS A 482 2.898 -43.805 24.243 1.00 81.09 C ANISOU 1328 CB HIS A 482 8578 10276 11957 1385 -1895 2888 C ATOM 1329 CG HIS A 482 1.410 -43.671 24.349 1.00 83.50 C ANISOU 1329 CG HIS A 482 9117 10427 12180 1199 -1700 2890 C ATOM 1330 ND1 HIS A 482 0.740 -43.750 25.551 1.00 86.02 N ANISOU 1330 ND1 HIS A 482 9585 10844 12253 1091 -1680 3287 N ATOM 1331 CD2 HIS A 482 0.463 -43.470 23.403 1.00 81.47 C ANISOU 1331 CD2 HIS A 482 8945 9954 12057 1111 -1514 2574 C ATOM 1332 CE1 HIS A 482 -0.556 -43.601 25.340 1.00 83.19 C ANISOU 1332 CE1 HIS A 482 9356 10339 11915 953 -1463 3227 C ATOM 1333 NE2 HIS A 482 -0.750 -43.429 24.046 1.00 81.77 N ANISOU 1333 NE2 HIS A 482 9136 9957 11977 952 -1386 2798 N ATOM 1334 H HIS A 482 3.807 -41.503 25.017 1.00 92.30 H ATOM 1335 HA HIS A 482 3.227 -43.836 26.268 1.00 98.17 H ATOM 1336 HB2 HIS A 482 3.195 -43.244 23.509 1.00 97.50 H ATOM 1337 HB3 HIS A 482 3.099 -44.734 24.049 1.00 97.50 H ATOM 1338 HD1 HIS A 482 1.107 -43.876 26.318 1.00103.41 H ATOM 1339 HD2 HIS A 482 0.607 -43.376 22.489 1.00 97.96 H ATOM 1340 HE1 HIS A 482 -1.219 -43.614 25.993 1.00100.03 H ATOM 1341 N PHE A 483 6.071 -43.015 25.393 1.00 91.50 N ANISOU 1341 N PHE A 483 9404 12457 12904 1486 -2467 3202 N ATOM 1342 CA PHE A 483 7.469 -43.428 25.327 1.00 85.74 C ANISOU 1342 CA PHE A 483 8400 11815 12364 1658 -2584 3221 C ATOM 1343 C PHE A 483 7.829 -44.291 26.533 1.00 85.07 C ANISOU 1343 C PHE A 483 8360 11706 12257 1729 -2760 3619 C ATOM 1344 O PHE A 483 8.253 -43.779 27.569 1.00 83.32 O ANISOU 1344 O PHE A 483 8201 11807 11650 1564 -2970 3787 O ATOM 1345 CB PHE A 483 8.396 -42.209 25.263 1.00 82.40 C ANISOU 1345 CB PHE A 483 7824 11817 11668 1472 -2706 3057 C ATOM 1346 CG PHE A 483 8.194 -41.341 24.044 1.00 75.25 C ANISOU 1346 CG PHE A 483 6838 10968 10787 1393 -2530 2689 C ATOM 1347 CD1 PHE A 483 7.407 -41.762 22.982 1.00 71.60 C ANISOU 1347 CD1 PHE A 483 6428 10183 10595 1536 -2264 2457 C ATOM 1348 CD2 PHE A 483 8.807 -40.101 23.961 1.00 72.97 C ANISOU 1348 CD2 PHE A 483 6469 11018 10240 1144 -2621 2535 C ATOM 1349 CE1 PHE A 483 7.232 -40.959 21.868 1.00 67.81 C ANISOU 1349 CE1 PHE A 483 5957 9751 10058 1436 -2053 2058 C ATOM 1350 CE2 PHE A 483 8.636 -39.296 22.848 1.00 67.99 C ANISOU 1350 CE2 PHE A 483 5765 10445 9622 1051 -2451 2230 C ATOM 1351 CZ PHE A 483 7.848 -39.726 21.801 1.00 65.67 C ANISOU 1351 CZ PHE A 483 5574 9846 9531 1200 -2132 1966 C ATOM 1352 H PHE A 483 5.960 -42.162 25.403 1.00109.99 H ATOM 1353 HA PHE A 483 7.608 -43.962 24.530 1.00103.09 H ATOM 1354 HB2 PHE A 483 8.241 -41.658 26.046 1.00 99.07 H ATOM 1355 HB3 PHE A 483 9.316 -42.517 25.257 1.00 99.07 H ATOM 1356 HD1 PHE A 483 6.988 -42.591 23.017 1.00 86.12 H ATOM 1357 HD2 PHE A 483 9.340 -39.806 24.663 1.00 87.76 H ATOM 1358 HE1 PHE A 483 6.700 -41.251 21.163 1.00 81.57 H ATOM 1359 HE2 PHE A 483 9.052 -38.465 22.807 1.00 81.78 H ATOM 1360 HZ PHE A 483 7.731 -39.186 21.053 1.00 78.99 H TER 1361 PHE A 483 ATOM 1362 O5' DG B 1 -7.594 -30.584 25.236 1.00 52.25 O ANISOU 1362 O5' DG B 1 9873 6543 3436 -2406 -36 -22 O ATOM 1363 C5' DG B 1 -7.648 -30.205 23.866 1.00 46.22 C ANISOU 1363 C5' DG B 1 8904 5767 2890 -2233 -33 -54 C ATOM 1364 C4' DG B 1 -8.155 -28.783 23.717 1.00 48.60 C ANISOU 1364 C4' DG B 1 8956 6169 3343 -2411 227 -291 C ATOM 1365 O4' DG B 1 -7.110 -27.852 24.118 1.00 46.56 O ANISOU 1365 O4' DG B 1 8542 6099 3050 -2368 146 -359 O ATOM 1366 C3' DG B 1 -8.536 -28.385 22.298 1.00 39.20 C ANISOU 1366 C3' DG B 1 7576 4946 2372 -2293 286 -343 C ATOM 1367 O3' DG B 1 -9.644 -27.491 22.309 1.00 41.20 O ANISOU 1367 O3' DG B 1 7602 5165 2887 -2488 607 -554 O ATOM 1368 C2' DG B 1 -7.265 -27.733 21.773 1.00 37.74 C ANISOU 1368 C2' DG B 1 7158 4896 2287 -2030 96 -308 C ATOM 1369 C1' DG B 1 -6.714 -27.052 23.015 1.00 41.30 C ANISOU 1369 C1' DG B 1 7629 5499 2563 -2215 124 -421 C ATOM 1370 N9 DG B 1 -5.258 -26.924 23.034 1.00 49.80 N ANISOU 1370 N9 DG B 1 8626 6735 3560 -2011 -145 -336 N ATOM 1371 C8 DG B 1 -4.335 -27.935 22.919 1.00 52.22 C ANISOU 1371 C8 DG B 1 9024 7055 3764 -1732 -441 -121 C ATOM 1372 N7 DG B 1 -3.099 -27.521 22.982 1.00 42.07 N ANISOU 1372 N7 DG B 1 7592 5956 2438 -1600 -626 -111 N ATOM 1373 C5 DG B 1 -3.209 -26.147 23.154 1.00 50.26 C ANISOU 1373 C5 DG B 1 8449 7096 3550 -1832 -446 -332 C ATOM 1374 C6 DG B 1 -2.201 -25.162 23.290 1.00 41.07 C ANISOU 1374 C6 DG B 1 7064 6135 2405 -1857 -520 -439 C ATOM 1375 O6 DG B 1 -0.972 -25.314 23.281 1.00 41.91 O ANISOU 1375 O6 DG B 1 7087 6408 2429 -1682 -782 -350 O ATOM 1376 N1 DG B 1 -2.744 -23.889 23.444 1.00 46.00 N ANISOU 1376 N1 DG B 1 7499 6729 3251 -2083 -234 -673 N ATOM 1377 C2 DG B 1 -4.088 -23.604 23.468 1.00 48.20 C ANISOU 1377 C2 DG B 1 7802 6833 3680 -2256 72 -797 C ATOM 1378 N2 DG B 1 -4.420 -22.315 23.627 1.00 44.90 N ANISOU 1378 N2 DG B 1 7177 6384 3499 -2431 322 -1029 N ATOM 1379 N3 DG B 1 -5.042 -24.518 23.345 1.00 46.59 N ANISOU 1379 N3 DG B 1 7799 6486 3418 -2259 133 -708 N ATOM 1380 C4 DG B 1 -4.531 -25.764 23.191 1.00 41.32 C ANISOU 1380 C4 DG B 1 7344 5831 2525 -2067 -139 -479 C ATOM 1381 H5' DG B 1 -8.243 -30.807 23.392 1.00 55.65 H ATOM 1382 H5'' DG B 1 -6.759 -30.268 23.483 1.00 55.65 H ATOM 1383 H4' DG B 1 -8.924 -28.661 24.295 1.00 58.52 H ATOM 1384 H3' DG B 1 -8.747 -29.175 21.776 1.00 47.23 H ATOM 1385 H2' DG B 1 -6.646 -28.402 21.443 1.00 45.48 H ATOM 1386 H2'' DG B 1 -7.471 -27.081 21.085 1.00 45.48 H ATOM 1387 H1' DG B 1 -7.113 -26.172 23.099 1.00 49.75 H ATOM 1388 H8 DG B 1 -4.568 -28.828 22.805 1.00 62.86 H ATOM 1389 H1 DG B 1 -2.197 -23.231 23.532 1.00 55.40 H ATOM 1390 H21 DG B 1 -5.248 -22.084 23.649 1.00 54.07 H ATOM 1391 H22 DG B 1 -3.805 -21.719 23.707 1.00 54.07 H ATOM 1392 HO5' DG B 1 -7.330 -31.352 25.449 1.00 62.89 H ATOM 1393 P DA B 2 -10.520 -27.266 20.982 1.00 40.40 P ANISOU 1393 P DA B 2 7203 4950 3199 -2353 698 -574 P ATOM 1394 OP1 DA B 2 -11.862 -26.826 21.425 1.00 42.64 O ANISOU 1394 OP1 DA B 2 7386 5181 3634 -2628 1027 -772 O ATOM 1395 OP2 DA B 2 -10.369 -28.454 20.113 1.00 37.24 O ANISOU 1395 OP2 DA B 2 6945 4459 2744 -2145 473 -377 O ATOM 1396 O5' DA B 2 -9.802 -26.040 20.253 1.00 37.67 O ANISOU 1396 O5' DA B 2 6501 4680 3131 -2140 659 -607 O ATOM 1397 C5' DA B 2 -9.896 -24.739 20.809 1.00 38.73 C ANISOU 1397 C5' DA B 2 6441 4859 3416 -2287 869 -809 C ATOM 1398 C4' DA B 2 -8.947 -23.781 20.116 1.00 38.44 C ANISOU 1398 C4' DA B 2 6140 4881 3584 -2079 774 -783 C ATOM 1399 O4' DA B 2 -7.587 -24.066 20.521 1.00 36.49 O ANISOU 1399 O4' DA B 2 6029 4778 3059 -2008 541 -695 O ATOM 1400 C3' DA B 2 -8.952 -23.860 18.583 1.00 38.45 C ANISOU 1400 C3' DA B 2 5948 4830 3833 -1788 658 -627 C ATOM 1401 O3' DA B 2 -9.452 -22.650 18.021 1.00 35.70 O ANISOU 1401 O3' DA B 2 5284 4411 3869 -1762 828 -711 O ATOM 1402 C2' DA B 2 -7.487 -24.113 18.209 1.00 35.93 C ANISOU 1402 C2' DA B 2 5652 4633 3366 -1568 395 -474 C ATOM 1403 C1' DA B 2 -6.738 -23.709 19.465 1.00 33.60 C ANISOU 1403 C1' DA B 2 5445 4455 2865 -1744 396 -583 C ATOM 1404 N9 DA B 2 -5.446 -24.369 19.634 1.00 34.04 N ANISOU 1404 N9 DA B 2 5630 4652 2650 -1605 118 -451 N ATOM 1405 C8 DA B 2 -5.188 -25.711 19.598 1.00 34.30 C ANISOU 1405 C8 DA B 2 5917 4681 2435 -1474 -90 -288 C ATOM 1406 N7 DA B 2 -3.923 -26.012 19.779 1.00 35.06 N ANISOU 1406 N7 DA B 2 6048 4921 2352 -1330 -329 -197 N ATOM 1407 C5 DA B 2 -3.309 -24.780 19.945 1.00 35.27 C ANISOU 1407 C5 DA B 2 5820 5072 2508 -1400 -270 -316 C ATOM 1408 C6 DA B 2 -1.968 -24.407 20.174 1.00 39.01 C ANISOU 1408 C6 DA B 2 6165 5745 2913 -1334 -439 -312 C ATOM 1409 N6 DA B 2 -0.966 -25.284 20.285 1.00 37.61 N ANISOU 1409 N6 DA B 2 6086 5691 2512 -1143 -723 -172 N ATOM 1410 N1 DA B 2 -1.698 -23.091 20.291 1.00 42.55 N ANISOU 1410 N1 DA B 2 6366 6254 3548 -1473 -306 -466 N ATOM 1411 C2 DA B 2 -2.702 -22.214 20.183 1.00 41.87 C ANISOU 1411 C2 DA B 2 6180 6016 3712 -1633 -25 -604 C ATOM 1412 N3 DA B 2 -3.996 -22.444 19.967 1.00 38.25 N ANISOU 1412 N3 DA B 2 5801 5378 3353 -1679 146 -618 N ATOM 1413 C4 DA B 2 -4.235 -23.759 19.857 1.00 35.15 C ANISOU 1413 C4 DA B 2 5645 4953 2759 -1569 10 -471 C ATOM 1414 H5' DA B 2 -9.675 -24.779 21.753 1.00 46.67 H ATOM 1415 H5'' DA B 2 -10.805 -24.415 20.709 1.00 46.67 H ATOM 1416 H4' DA B 2 -9.169 -22.875 20.382 1.00 46.32 H ATOM 1417 H3' DA B 2 -9.498 -24.607 18.294 1.00 46.34 H ATOM 1418 H2' DA B 2 -7.342 -25.051 18.010 1.00 43.31 H ATOM 1419 H2'' DA B 2 -7.225 -23.558 17.462 1.00 43.31 H ATOM 1420 H1' DA B 2 -6.610 -22.747 19.467 1.00 40.51 H ATOM 1421 H8 DA B 2 -5.848 -26.352 19.459 1.00 41.35 H ATOM 1422 H61 DA B 2 -0.165 -25.006 20.429 1.00 45.32 H ATOM 1423 H62 DA B 2 -1.122 -26.127 20.213 1.00 45.32 H ATOM 1424 H2 DA B 2 -2.463 -21.319 20.270 1.00 50.44 H ATOM 1425 P DG B 3 -9.583 -22.481 16.428 1.00 29.31 P ANISOU 1425 P DG B 3 4250 3556 3329 -1490 738 -554 P ATOM 1426 OP1 DG B 3 -10.984 -22.102 16.140 1.00 30.18 O ANISOU 1426 OP1 DG B 3 4191 3547 3731 -1548 920 -638 O ATOM 1427 OP2 DG B 3 -9.004 -23.681 15.779 1.00 28.37 O ANISOU 1427 OP2 DG B 3 4297 3497 2987 -1301 488 -370 O ATOM 1428 O5' DG B 3 -8.638 -21.230 16.105 1.00 29.06 O ANISOU 1428 O5' DG B 3 4000 3561 3482 -1400 746 -545 O ATOM 1429 C5' DG B 3 -8.870 -19.985 16.758 1.00 32.56 C ANISOU 1429 C5' DG B 3 4303 3931 4137 -1565 970 -732 C ATOM 1430 C4' DG B 3 -7.654 -19.082 16.667 1.00 33.85 C ANISOU 1430 C4' DG B 3 4348 4152 4363 -1526 931 -718 C ATOM 1431 O4' DG B 3 -6.493 -19.780 17.199 1.00 34.54 O ANISOU 1431 O4' DG B 3 4608 4419 4097 -1535 738 -678 O ATOM 1432 C3' DG B 3 -7.276 -18.652 15.250 1.00 34.20 C ANISOU 1432 C3' DG B 3 4195 4178 4622 -1287 849 -519 C ATOM 1433 O3' DG B 3 -6.881 -17.280 15.232 1.00 36.76 O ANISOU 1433 O3' DG B 3 4333 4423 5209 -1339 978 -579 O ATOM 1434 C2' DG B 3 -6.135 -19.595 14.893 1.00 32.31 C ANISOU 1434 C2' DG B 3 4064 4123 4090 -1136 602 -362 C ATOM 1435 C1' DG B 3 -5.460 -19.806 16.234 1.00 35.10 C ANISOU 1435 C1' DG B 3 4572 4586 4179 -1317 567 -499 C ATOM 1436 N9 DG B 3 -4.744 -21.072 16.344 1.00 35.38 N ANISOU 1436 N9 DG B 3 4800 4767 3876 -1208 331 -389 N ATOM 1437 C8 DG B 3 -5.268 -22.331 16.196 1.00 35.99 C ANISOU 1437 C8 DG B 3 5081 4816 3777 -1129 233 -305 C ATOM 1438 N7 DG B 3 -4.390 -23.281 16.354 1.00 36.77 N ANISOU 1438 N7 DG B 3 5335 5031 3605 -1016 19 -212 N ATOM 1439 C5 DG B 3 -3.207 -22.608 16.625 1.00 36.76 C ANISOU 1439 C5 DG B 3 5194 5177 3596 -1020 -37 -240 C ATOM 1440 C6 DG B 3 -1.912 -23.111 16.883 1.00 36.06 C ANISOU 1440 C6 DG B 3 5137 5270 3292 -907 -260 -176 C ATOM 1441 O6 DG B 3 -1.543 -24.292 16.925 1.00 32.75 O ANISOU 1441 O6 DG B 3 4902 4895 2646 -753 -457 -69 O ATOM 1442 N1 DG B 3 -0.997 -22.089 17.106 1.00 38.95 N ANISOU 1442 N1 DG B 3 5286 5766 3749 -984 -244 -251 N ATOM 1443 C2 DG B 3 -1.296 -20.748 17.083 1.00 39.45 C ANISOU 1443 C2 DG B 3 5160 5751 4080 -1154 -29 -372 C ATOM 1444 N2 DG B 3 -0.279 -19.909 17.325 1.00 44.09 N ANISOU 1444 N2 DG B 3 5561 6466 4724 -1237 -43 -444 N ATOM 1445 N3 DG B 3 -2.506 -20.262 16.843 1.00 39.95 N ANISOU 1445 N3 DG B 3 5207 5614 4358 -1233 182 -424 N ATOM 1446 C4 DG B 3 -3.408 -21.247 16.623 1.00 37.14 C ANISOU 1446 C4 DG B 3 5029 5170 3914 -1157 159 -354 C ATOM 1447 H5' DG B 3 -9.075 -20.149 17.692 1.00 39.27 H ATOM 1448 H5'' DG B 3 -9.626 -19.543 16.340 1.00 39.27 H ATOM 1449 H4' DG B 3 -7.814 -18.289 17.202 1.00 40.82 H ATOM 1450 H3' DG B 3 -8.024 -18.792 14.649 1.00 41.23 H ATOM 1451 H2' DG B 3 -6.478 -20.433 14.544 1.00 38.97 H ATOM 1452 H2'' DG B 3 -5.527 -19.180 14.263 1.00 38.97 H ATOM 1453 H1' DG B 3 -4.846 -19.074 16.402 1.00 42.31 H ATOM 1454 H8 DG B 3 -6.163 -22.491 16.002 1.00 43.38 H ATOM 1455 H1 DG B 3 -0.183 -22.313 17.272 1.00 46.94 H ATOM 1456 H21 DG B 3 -0.413 -19.059 17.323 1.00 53.10 H ATOM 1457 H22 DG B 3 0.507 -20.220 17.482 1.00 53.10 H ATOM 1458 P DG B 4 -6.369 -16.596 13.871 1.00 35.04 P ANISOU 1458 P DG B 4 3920 4177 5217 -1142 932 -367 P ATOM 1459 OP1 DG B 4 -6.547 -15.134 14.010 1.00 38.06 O ANISOU 1459 OP1 DG B 4 4140 4367 5955 -1242 1138 -465 O ATOM 1460 OP2 DG B 4 -6.991 -17.311 12.734 1.00 35.84 O ANISOU 1460 OP2 DG B 4 4020 4284 5314 -931 821 -174 O ATOM 1461 O5' DG B 4 -4.804 -16.909 13.857 1.00 33.13 O ANISOU 1461 O5' DG B 4 3703 4151 4732 -1107 766 -294 O ATOM 1462 C5' DG B 4 -3.953 -16.290 14.807 1.00 35.42 C ANISOU 1462 C5' DG B 4 3973 4498 4987 -1300 810 -455 C ATOM 1463 C4' DG B 4 -2.522 -16.267 14.311 1.00 34.59 C ANISOU 1463 C4' DG B 4 3767 4578 4797 -1215 675 -335 C ATOM 1464 O4' DG B 4 -1.914 -17.566 14.548 1.00 34.43 O ANISOU 1464 O4' DG B 4 3887 4773 4422 -1115 454 -285 O ATOM 1465 C3' DG B 4 -2.371 -15.985 12.817 1.00 33.80 C ANISOU 1465 C3' DG B 4 3521 4454 4866 -1013 672 -98 C ATOM 1466 O3' DG B 4 -1.314 -15.057 12.579 1.00 33.73 O ANISOU 1466 O3' DG B 4 3339 4489 4987 -1081 721 -73 O ATOM 1467 C2' DG B 4 -2.096 -17.361 12.217 1.00 33.12 C ANISOU 1467 C2' DG B 4 3536 4546 4501 -788 468 49 C ATOM 1468 C1' DG B 4 -1.388 -18.089 13.347 1.00 32.21 C ANISOU 1468 C1' DG B 4 3541 4598 4098 -866 334 -75 C ATOM 1469 N9 DG B 4 -1.590 -19.535 13.341 1.00 30.58 N ANISOU 1469 N9 DG B 4 3536 4462 3623 -717 165 -15 N ATOM 1470 C8 DG B 4 -2.776 -20.206 13.162 1.00 30.87 C ANISOU 1470 C8 DG B 4 3724 4371 3634 -673 176 8 C ATOM 1471 N7 DG B 4 -2.652 -21.503 13.210 1.00 32.32 N ANISOU 1471 N7 DG B 4 4094 4624 3561 -552 9 58 N ATOM 1472 C5 DG B 4 -1.299 -21.706 13.440 1.00 29.27 C ANISOU 1472 C5 DG B 4 3666 4428 3027 -483 -130 77 C ATOM 1473 C6 DG B 4 -0.572 -22.908 13.589 1.00 28.62 C ANISOU 1473 C6 DG B 4 3721 4469 2683 -318 -343 134 C ATOM 1474 O6 DG B 4 -0.995 -24.070 13.545 1.00 28.30 O ANISOU 1474 O6 DG B 4 3905 4368 2482 -212 -444 183 O ATOM 1475 N1 DG B 4 0.781 -22.669 13.809 1.00 32.81 N ANISOU 1475 N1 DG B 4 4099 5202 3164 -278 -441 129 N ATOM 1476 C2 DG B 4 1.358 -21.423 13.878 1.00 34.68 C ANISOU 1476 C2 DG B 4 4089 5511 3576 -418 -336 67 C ATOM 1477 N2 DG B 4 2.681 -21.393 14.098 1.00 36.85 N ANISOU 1477 N2 DG B 4 4213 6009 3780 -374 -462 58 N ATOM 1478 N3 DG B 4 0.688 -20.287 13.740 1.00 33.02 N ANISOU 1478 N3 DG B 4 3781 5154 3612 -588 -126 14 N ATOM 1479 C4 DG B 4 -0.631 -20.504 13.526 1.00 31.25 C ANISOU 1479 C4 DG B 4 3694 4735 3444 -594 -37 27 C ATOM 1480 H5' DG B 4 -3.994 -16.783 15.641 1.00 42.70 H ATOM 1481 H5'' DG B 4 -4.253 -15.380 14.959 1.00 42.70 H ATOM 1482 H4' DG B 4 -2.029 -15.595 14.808 1.00 41.70 H ATOM 1483 H3' DG B 4 -3.203 -15.633 12.464 1.00 40.75 H ATOM 1484 H2' DG B 4 -2.927 -17.805 11.989 1.00 39.93 H ATOM 1485 H2'' DG B 4 -1.520 -17.290 11.442 1.00 39.93 H ATOM 1486 H1' DG B 4 -0.438 -17.899 13.305 1.00 38.84 H ATOM 1487 H8 DG B 4 -3.588 -19.776 13.016 1.00 37.23 H ATOM 1488 H1 DG B 4 1.294 -23.351 13.910 1.00 39.56 H ATOM 1489 H21 DG B 4 3.091 -20.639 14.149 1.00 44.42 H ATOM 1490 H22 DG B 4 3.119 -22.128 14.188 1.00 44.42 H HETATM 1491 N1 5CM B 5 0.713 -20.458 10.101 1.00 30.12 N ANISOU 1491 N1 5CM B 5 3184 4813 3448 -73 -57 422 N HETATM 1492 C2 5CM B 5 1.159 -21.739 10.358 1.00 29.45 C ANISOU 1492 C2 5CM B 5 3238 4838 3115 85 -241 414 C HETATM 1493 N3 5CM B 5 0.294 -22.774 10.365 1.00 32.40 N ANISOU 1493 N3 5CM B 5 3852 5099 3360 163 -317 420 N HETATM 1494 C4 5CM B 5 -1.016 -22.553 10.122 1.00 29.85 C ANISOU 1494 C4 5CM B 5 3600 4592 3151 81 -217 424 C HETATM 1495 C5 5CM B 5 -1.527 -21.234 9.852 1.00 30.18 C ANISOU 1495 C5 5CM B 5 3476 4534 3458 -55 -40 434 C HETATM 1496 C5A 5CM B 5 -2.981 -20.930 9.573 1.00 33.62 C ANISOU 1496 C5A 5CM B 5 3941 4774 4058 -118 58 440 C HETATM 1497 C6 5CM B 5 -0.623 -20.246 9.857 1.00 31.11 C ANISOU 1497 C6 5CM B 5 3392 4734 3695 -122 34 438 C HETATM 1498 O2 5CM B 5 2.332 -21.936 10.577 1.00 29.57 O ANISOU 1498 O2 5CM B 5 3153 5042 3042 153 -336 400 O HETATM 1499 N4 5CM B 5 -1.799 -23.662 10.152 1.00 29.40 N ANISOU 1499 N4 5CM B 5 3774 4440 2957 137 -300 418 N HETATM 1500 C1' 5CM B 5 1.685 -19.354 10.107 1.00 35.44 C ANISOU 1500 C1' 5CM B 5 3614 5583 4268 -186 34 412 C HETATM 1501 C2' 5CM B 5 1.765 -18.477 8.865 1.00 36.64 C ANISOU 1501 C2' 5CM B 5 3598 5713 4610 -154 180 562 C HETATM 1502 C3' 5CM B 5 2.250 -17.143 9.396 1.00 40.60 C ANISOU 1502 C3' 5CM B 5 3925 6174 5326 -402 315 486 C HETATM 1503 C4' 5CM B 5 2.035 -17.210 10.901 1.00 38.11 C ANISOU 1503 C4' 5CM B 5 3712 5812 4955 -584 266 274 C HETATM 1504 O4' 5CM B 5 1.378 -18.452 11.171 1.00 35.13 O ANISOU 1504 O4' 5CM B 5 3562 5424 4363 -455 131 263 O HETATM 1505 O3' 5CM B 5 3.646 -16.949 9.136 1.00 43.05 O ANISOU 1505 O3' 5CM B 5 4026 6717 5615 -396 307 510 O HETATM 1506 C5' 5CM B 5 1.243 -16.026 11.433 1.00 36.49 C ANISOU 1506 C5' 5CM B 5 3502 5355 5007 -821 449 167 C HETATM 1507 O5' 5CM B 5 0.095 -15.766 10.609 1.00 33.48 O ANISOU 1507 O5' 5CM B 5 3163 4763 4795 -737 550 289 O HETATM 1508 P 5CM B 5 -0.937 -14.626 11.077 1.00 34.17 P ANISOU 1508 P 5CM B 5 3246 4547 5190 -919 745 183 P HETATM 1509 OP1 5CM B 5 -0.208 -13.362 11.135 1.00 33.42 O ANISOU 1509 OP1 5CM B 5 2990 4388 5318 -1092 880 152 O HETATM 1510 OP2 5CM B 5 -2.143 -14.733 10.259 1.00 31.61 O ANISOU 1510 OP2 5CM B 5 2967 4067 4978 -770 771 318 O HETATM 1511 H5A1 5CM B 5 -3.601 -21.691 9.967 1.00 40.53 H HETATM 1512 H5A2 5CM B 5 -3.130 -20.865 8.527 1.00 40.53 H HETATM 1513 H5A3 5CM B 5 -3.237 -20.005 10.020 1.00 40.53 H HETATM 1514 H6 5CM B 5 -0.960 -19.236 9.660 1.00 37.53 H HETATM 1515 HN41 5CM B 5 -2.791 -23.603 9.982 1.00 35.48 H HETATM 1516 HN42 5CM B 5 -1.381 -24.560 10.347 1.00 35.48 H HETATM 1517 H1' 5CM B 5 2.694 -19.751 10.278 1.00 42.72 H HETATM 1518 H2' 5CM B 5 2.476 -18.874 8.146 1.00 44.16 H HETATM 1519 H2'' 5CM B 5 0.787 -18.374 8.390 1.00 44.16 H HETATM 1520 H3' 5CM B 5 1.655 -16.329 8.960 1.00 48.91 H HETATM 1521 H4' 5CM B 5 3.020 -17.208 11.387 1.00 45.92 H HETATM 1522 H5' 5CM B 5 1.882 -15.141 11.456 1.00 43.98 H HETATM 1523 H5'' 5CM B 5 0.920 -16.233 12.455 1.00 43.98 H ATOM 1524 P DG B 6 4.173 -16.633 7.649 1.00 48.67 P ANISOU 1524 P DG B 6 4585 7525 6380 -278 412 714 P ATOM 1525 OP1 DG B 6 4.992 -15.400 7.707 1.00 51.41 O ANISOU 1525 OP1 DG B 6 4708 7894 6932 -502 560 704 O ATOM 1526 OP2 DG B 6 3.014 -16.706 6.731 1.00 50.42 O ANISOU 1526 OP2 DG B 6 4951 7577 6632 -160 456 864 O ATOM 1527 O5' DG B 6 5.147 -17.859 7.319 1.00 44.17 O ANISOU 1527 O5' DG B 6 3971 7255 5558 -33 263 722 O ATOM 1528 C5' DG B 6 6.308 -18.078 8.112 1.00 42.04 C ANISOU 1528 C5' DG B 6 3547 7205 5219 -66 157 594 C ATOM 1529 C4' DG B 6 7.052 -19.326 7.664 1.00 41.75 C ANISOU 1529 C4' DG B 6 3484 7406 4971 235 18 616 C ATOM 1530 O4' DG B 6 6.268 -20.503 8.003 1.00 40.11 O ANISOU 1530 O4' DG B 6 3564 7090 4586 401 -145 591 O ATOM 1531 C3' DG B 6 7.321 -19.410 6.162 1.00 43.58 C ANISOU 1531 C3' DG B 6 3634 7745 5181 405 144 765 C ATOM 1532 O3' DG B 6 8.625 -19.925 5.910 1.00 45.10 O ANISOU 1532 O3' DG B 6 3606 8240 5292 567 102 732 O ATOM 1533 C2' DG B 6 6.222 -20.334 5.653 1.00 41.86 C ANISOU 1533 C2' DG B 6 3707 7378 4821 599 77 821 C ATOM 1534 C1' DG B 6 5.967 -21.252 6.840 1.00 42.40 C ANISOU 1534 C1' DG B 6 3955 7384 4771 645 -133 694 C ATOM 1535 N9 DG B 6 4.587 -21.717 6.931 1.00 41.07 N ANISOU 1535 N9 DG B 6 4079 6972 4553 652 -176 704 N ATOM 1536 C8 DG B 6 3.457 -20.941 6.924 1.00 40.61 C ANISOU 1536 C8 DG B 6 4096 6694 4640 476 -67 737 C ATOM 1537 N7 DG B 6 2.353 -21.624 7.019 1.00 38.35 N ANISOU 1537 N7 DG B 6 4046 6245 4282 518 -135 725 N ATOM 1538 C5 DG B 6 2.777 -22.941 7.098 1.00 39.64 C ANISOU 1538 C5 DG B 6 4330 6499 4233 726 -295 687 C ATOM 1539 C6 DG B 6 2.024 -24.127 7.217 1.00 37.62 C ANISOU 1539 C6 DG B 6 4345 6120 3828 832 -417 659 C ATOM 1540 O6 DG B 6 0.797 -24.248 7.278 1.00 35.13 O ANISOU 1540 O6 DG B 6 4195 5618 3536 746 -403 654 O ATOM 1541 N1 DG B 6 2.840 -25.254 7.265 1.00 36.61 N ANISOU 1541 N1 DG B 6 4280 6099 3530 1058 -562 631 N ATOM 1542 C2 DG B 6 4.212 -25.233 7.205 1.00 37.53 C ANISOU 1542 C2 DG B 6 4186 6444 3631 1183 -591 623 C ATOM 1543 N2 DG B 6 4.827 -26.423 7.266 1.00 38.52 N ANISOU 1543 N2 DG B 6 4397 6627 3610 1435 -745 592 N ATOM 1544 N3 DG B 6 4.933 -24.123 7.093 1.00 40.72 N ANISOU 1544 N3 DG B 6 4303 6997 4170 1067 -474 639 N ATOM 1545 C4 DG B 6 4.150 -23.018 7.045 1.00 40.09 C ANISOU 1545 C4 DG B 6 4195 6787 4249 832 -328 675 C ATOM 1546 H5' DG B 6 6.044 -18.181 9.040 1.00 50.64 H ATOM 1547 H5'' DG B 6 6.897 -17.311 8.032 1.00 50.64 H ATOM 1548 H4' DG B 6 7.899 -19.369 8.135 1.00 50.29 H ATOM 1549 H3' DG B 6 7.227 -18.532 5.760 1.00 52.49 H ATOM 1550 H2' DG B 6 5.425 -19.827 5.433 1.00 50.43 H ATOM 1551 H2'' DG B 6 6.528 -20.843 4.887 1.00 50.43 H ATOM 1552 H1' DG B 6 6.561 -22.017 6.788 1.00 51.07 H ATOM 1553 H8 DG B 6 3.478 -20.015 6.853 1.00 48.93 H ATOM 1554 H1 DG B 6 2.456 -26.020 7.337 1.00 44.12 H ATOM 1555 H21 DG B 6 5.685 -26.466 7.230 1.00 46.41 H ATOM 1556 H22 DG B 6 4.363 -27.143 7.341 1.00 46.41 H ATOM 1557 P DT B 7 9.147 -20.101 4.401 1.00 48.47 P ANISOU 1557 P DT B 7 3915 8849 5654 748 254 847 P ATOM 1558 OP1 DT B 7 10.627 -20.085 4.436 1.00 51.22 O ANISOU 1558 OP1 DT B 7 3918 9514 6028 782 273 777 O ATOM 1559 OP2 DT B 7 8.423 -19.127 3.555 1.00 47.31 O ANISOU 1559 OP2 DT B 7 3827 8544 5604 595 452 1008 O ATOM 1560 O5' DT B 7 8.651 -21.569 3.997 1.00 46.54 O ANISOU 1560 O5' DT B 7 3926 8571 5186 1076 115 833 O ATOM 1561 C5' DT B 7 9.030 -22.687 4.791 1.00 45.57 C ANISOU 1561 C5' DT B 7 3858 8501 4956 1269 -108 712 C ATOM 1562 C4' DT B 7 8.372 -23.962 4.294 1.00 45.54 C ANISOU 1562 C4' DT B 7 4146 8386 4771 1537 -203 711 C ATOM 1563 O4' DT B 7 6.968 -23.943 4.627 1.00 42.21 O ANISOU 1563 O4' DT B 7 4018 7674 4344 1408 -246 741 O ATOM 1564 C3' DT B 7 8.436 -24.177 2.779 1.00 47.80 C ANISOU 1564 C3' DT B 7 4424 8775 4963 1699 -47 775 C ATOM 1565 O3' DT B 7 9.345 -25.227 2.465 1.00 51.39 O ANISOU 1565 O3' DT B 7 4807 9410 5310 2010 -101 683 O ATOM 1566 C2' DT B 7 6.994 -24.514 2.368 1.00 44.71 C ANISOU 1566 C2' DT B 7 4369 8132 4485 1693 -76 827 C ATOM 1567 C1' DT B 7 6.282 -24.735 3.695 1.00 42.20 C ANISOU 1567 C1' DT B 7 4234 7590 4208 1582 -247 771 C ATOM 1568 N1 DT B 7 4.840 -24.337 3.689 1.00 38.90 N ANISOU 1568 N1 DT B 7 4017 6926 3838 1405 -225 831 N ATOM 1569 C2 DT B 7 3.870 -25.311 3.772 1.00 37.20 C ANISOU 1569 C2 DT B 7 4092 6527 3513 1481 -344 792 C ATOM 1570 O2 DT B 7 4.121 -26.501 3.849 1.00 34.88 O ANISOU 1570 O2 DT B 7 3937 6230 3083 1686 -468 719 O ATOM 1571 N3 DT B 7 2.585 -24.839 3.763 1.00 36.14 N ANISOU 1571 N3 DT B 7 4075 6201 3457 1307 -311 840 N ATOM 1572 C4 DT B 7 2.180 -23.519 3.682 1.00 32.64 C ANISOU 1572 C4 DT B 7 3501 5707 3195 1100 -180 927 C ATOM 1573 O4 DT B 7 0.995 -23.193 3.681 1.00 30.71 O ANISOU 1573 O4 DT B 7 3351 5284 3034 984 -166 960 O ATOM 1574 C5 DT B 7 3.247 -22.550 3.599 1.00 35.50 C ANISOU 1574 C5 DT B 7 3597 6230 3663 1029 -56 972 C ATOM 1575 C7 DT B 7 2.931 -21.087 3.508 1.00 35.03 C ANISOU 1575 C7 DT B 7 3405 6081 3823 806 98 1073 C ATOM 1576 C6 DT B 7 4.511 -23.000 3.607 1.00 37.36 C ANISOU 1576 C6 DT B 7 3700 6680 3815 1169 -81 919 C ATOM 1577 H5' DT B 7 8.763 -22.529 5.710 1.00 54.88 H ATOM 1578 H5'' DT B 7 9.994 -22.791 4.754 1.00 54.88 H ATOM 1579 H4' DT B 7 8.787 -24.720 4.735 1.00 54.84 H ATOM 1580 H3' DT B 7 8.718 -23.358 2.343 1.00 57.56 H ATOM 1581 H2' DT B 7 6.595 -23.773 1.886 1.00 53.84 H ATOM 1582 H2'' DT B 7 6.973 -25.322 1.832 1.00 53.84 H ATOM 1583 H1' DT B 7 6.358 -25.668 3.949 1.00 50.83 H ATOM 1584 H3 DT B 7 1.961 -25.428 3.813 1.00 43.56 H ATOM 1585 H71 DT B 7 1.969 -20.962 3.516 1.00 42.23 H ATOM 1586 H72 DT B 7 3.324 -20.624 4.263 1.00 42.23 H ATOM 1587 H73 DT B 7 3.296 -20.729 2.686 1.00 42.23 H ATOM 1588 H6 DT B 7 5.201 -22.378 3.555 1.00 45.03 H ATOM 1589 P DG B 8 9.732 -25.531 0.936 1.00 58.91 P ANISOU 1589 P DG B 8 5702 10545 6136 2202 83 695 P ATOM 1590 OP1 DG B 8 11.077 -26.150 0.931 1.00 63.38 O ANISOU 1590 OP1 DG B 8 6016 11366 6700 2455 73 577 O ATOM 1591 OP2 DG B 8 9.478 -24.302 0.150 1.00 61.12 O ANISOU 1591 OP2 DG B 8 5895 10867 6462 1960 306 843 O ATOM 1592 O5' DG B 8 8.665 -26.629 0.484 1.00 53.20 O ANISOU 1592 O5' DG B 8 5369 9606 5236 2370 -17 664 O ATOM 1593 C5' DG B 8 8.609 -27.873 1.159 1.00 52.00 C ANISOU 1593 C5' DG B 8 5409 9318 5031 2583 -230 552 C ATOM 1594 C4' DG B 8 7.433 -28.696 0.678 1.00 48.94 C ANISOU 1594 C4' DG B 8 5398 8698 4501 2646 -294 533 C ATOM 1595 O4' DG B 8 6.191 -28.033 1.048 1.00 47.43 O ANISOU 1595 O4' DG B 8 5354 8302 4366 2362 -318 629 O ATOM 1596 C3' DG B 8 7.364 -28.902 -0.842 1.00 51.33 C ANISOU 1596 C3' DG B 8 5744 9117 4642 2760 -135 519 C ATOM 1597 O3' DG B 8 7.164 -30.277 -1.148 1.00 53.41 O ANISOU 1597 O3' DG B 8 6267 9261 4768 3012 -232 381 O ATOM 1598 C2' DG B 8 6.181 -28.038 -1.268 1.00 49.32 C ANISOU 1598 C2' DG B 8 5597 8762 4383 2493 -78 659 C ATOM 1599 C1' DG B 8 5.300 -28.102 -0.039 1.00 48.21 C ANISOU 1599 C1' DG B 8 5621 8347 4349 2344 -253 666 C ATOM 1600 N9 DG B 8 4.323 -27.023 0.066 1.00 45.04 N ANISOU 1600 N9 DG B 8 5223 7836 4054 2062 -212 796 N ATOM 1601 C8 DG B 8 4.559 -25.671 -0.012 1.00 45.70 C ANISOU 1601 C8 DG B 8 5079 8011 4274 1871 -70 922 C ATOM 1602 N7 DG B 8 3.480 -24.948 0.119 1.00 43.52 N ANISOU 1602 N7 DG B 8 4870 7565 4100 1668 -68 1016 N ATOM 1603 C5 DG B 8 2.465 -25.882 0.297 1.00 43.09 C ANISOU 1603 C5 DG B 8 5083 7324 3966 1712 -215 942 C ATOM 1604 C6 DG B 8 1.075 -25.696 0.492 1.00 40.45 C ANISOU 1604 C6 DG B 8 4890 6779 3700 1560 -273 975 C ATOM 1605 O6 DG B 8 0.443 -24.632 0.549 1.00 40.18 O ANISOU 1605 O6 DG B 8 4774 6667 3825 1381 -211 1081 O ATOM 1606 N1 DG B 8 0.408 -26.912 0.629 1.00 39.06 N ANISOU 1606 N1 DG B 8 4965 6466 3409 1636 -412 863 N ATOM 1607 C2 DG B 8 1.009 -28.148 0.584 1.00 38.80 C ANISOU 1607 C2 DG B 8 5053 6422 3266 1806 -467 718 C ATOM 1608 N2 DG B 8 0.204 -29.210 0.736 1.00 38.70 N ANISOU 1608 N2 DG B 8 5288 6193 3224 1783 -567 605 N ATOM 1609 N3 DG B 8 2.308 -28.334 0.402 1.00 42.19 N ANISOU 1609 N3 DG B 8 5356 7051 3623 2003 -428 696 N ATOM 1610 C4 DG B 8 2.971 -27.162 0.267 1.00 43.63 C ANISOU 1610 C4 DG B 8 5268 7425 3883 1941 -303 811 C ATOM 1611 H5' DG B 8 8.519 -27.715 2.112 1.00 62.60 H ATOM 1612 H5'' DG B 8 9.430 -28.363 0.993 1.00 62.60 H ATOM 1613 H4' DG B 8 7.463 -29.564 1.109 1.00 58.93 H ATOM 1614 H3' DG B 8 8.179 -28.581 -1.259 1.00 61.79 H ATOM 1615 H2' DG B 8 6.464 -27.127 -1.445 1.00 59.38 H ATOM 1616 H2'' DG B 8 5.731 -28.421 -2.037 1.00 59.38 H ATOM 1617 H1' DG B 8 4.839 -28.955 -0.020 1.00 58.04 H ATOM 1618 H8 DG B 8 5.404 -25.307 -0.147 1.00 55.03 H ATOM 1619 H1 DG B 8 -0.443 -26.887 0.752 1.00 47.06 H ATOM 1620 H21 DG B 8 0.541 -29.999 0.804 1.00 46.64 H ATOM 1621 H22 DG B 8 -0.648 -29.103 0.766 1.00 46.64 H ATOM 1622 P DG B 9 7.520 -30.853 -2.604 1.00 49.44 P ANISOU 1622 P DG B 9 5792 8923 4070 3231 -80 275 P ATOM 1623 OP1 DG B 9 8.774 -31.626 -2.474 1.00 52.92 O ANISOU 1623 OP1 DG B 9 6081 9486 4540 3551 -77 128 O ATOM 1624 OP2 DG B 9 7.438 -29.740 -3.576 1.00 51.49 O ANISOU 1624 OP2 DG B 9 5910 9388 4265 3045 126 406 O ATOM 1625 O5' DG B 9 6.322 -31.866 -2.910 1.00 47.35 O ANISOU 1625 O5' DG B 9 5943 8386 3662 3266 -209 191 O ATOM 1626 C5' DG B 9 6.025 -32.909 -1.991 1.00 44.51 C ANISOU 1626 C5' DG B 9 5819 7742 3350 3368 -414 107 C ATOM 1627 C4' DG B 9 4.673 -33.528 -2.290 1.00 51.41 C ANISOU 1627 C4' DG B 9 7056 8363 4114 3271 -509 64 C ATOM 1628 O4' DG B 9 3.624 -32.588 -1.926 1.00 44.48 O ANISOU 1628 O4' DG B 9 6169 7391 3339 2915 -521 207 O ATOM 1629 C3' DG B 9 4.439 -33.878 -3.755 1.00 50.83 C ANISOU 1629 C3' DG B 9 7096 8393 3824 3347 -403 -39 C ATOM 1630 O3' DG B 9 3.721 -35.104 -3.877 1.00 48.94 O ANISOU 1630 O3' DG B 9 7211 7889 3493 3416 -526 -194 O ATOM 1631 C2' DG B 9 3.653 -32.684 -4.282 1.00 49.49 C ANISOU 1631 C2' DG B 9 6845 8339 3621 3062 -335 133 C ATOM 1632 C1' DG B 9 2.859 -32.234 -3.063 1.00 40.69 C ANISOU 1632 C1' DG B 9 5738 6975 2748 2793 -447 236 C ATOM 1633 N9 DG B 9 2.602 -30.794 -3.021 1.00 45.76 N ANISOU 1633 N9 DG B 9 6165 7715 3505 2549 -363 426 N ATOM 1634 C8 DG B 9 3.524 -29.782 -3.155 1.00 44.21 C ANISOU 1634 C8 DG B 9 5688 7794 3315 2572 -232 553 C ATOM 1635 N7 DG B 9 3.003 -28.590 -3.071 1.00 38.35 N ANISOU 1635 N7 DG B 9 4836 7051 2685 2337 -188 725 N ATOM 1636 C5 DG B 9 1.651 -28.823 -2.863 1.00 36.83 C ANISOU 1636 C5 DG B 9 4837 6576 2581 2156 -297 693 C ATOM 1637 C6 DG B 9 0.584 -27.910 -2.695 1.00 39.48 C ANISOU 1637 C6 DG B 9 5149 6789 3063 1911 -313 817 C ATOM 1638 O6 DG B 9 0.626 -26.671 -2.696 1.00 34.96 O ANISOU 1638 O6 DG B 9 4402 6301 2580 1805 -232 994 O ATOM 1639 N1 DG B 9 -0.631 -28.565 -2.510 1.00 42.85 N ANISOU 1639 N1 DG B 9 5774 6980 3526 1804 -438 728 N ATOM 1640 C2 DG B 9 -0.793 -29.929 -2.491 1.00 45.72 C ANISOU 1640 C2 DG B 9 6353 7220 3798 1896 -529 555 C ATOM 1641 N2 DG B 9 -2.043 -30.376 -2.301 1.00 52.15 N ANISOU 1641 N2 DG B 9 7325 7840 4651 1754 -637 507 N ATOM 1642 N3 DG B 9 0.198 -30.797 -2.647 1.00 41.40 N ANISOU 1642 N3 DG B 9 5861 6744 3125 2133 -515 441 N ATOM 1643 C4 DG B 9 1.388 -30.175 -2.828 1.00 43.58 C ANISOU 1643 C4 DG B 9 5924 7270 3362 2262 -400 513 C ATOM 1644 H5' DG B 9 6.018 -32.548 -1.091 1.00 53.60 H ATOM 1645 H5'' DG B 9 6.710 -33.593 -2.054 1.00 53.60 H ATOM 1646 H4' DG B 9 4.572 -34.332 -1.756 1.00 61.88 H ATOM 1647 H3' DG B 9 5.289 -33.944 -4.218 1.00 61.19 H ATOM 1648 H2' DG B 9 4.254 -31.983 -4.579 1.00 59.58 H ATOM 1649 H2'' DG B 9 3.057 -32.955 -4.998 1.00 59.58 H ATOM 1650 H1' DG B 9 2.014 -32.710 -3.039 1.00 49.02 H ATOM 1651 H8 DG B 9 4.431 -29.934 -3.296 1.00 53.24 H ATOM 1652 H1 DG B 9 -1.332 -28.079 -2.400 1.00 51.61 H ATOM 1653 H21 DG B 9 -2.199 -31.222 -2.281 1.00 62.78 H ATOM 1654 H22 DG B 9 -2.689 -29.817 -2.199 1.00 62.78 H ATOM 1655 P DC B 10 3.515 -35.782 -5.320 1.00 55.39 P ANISOU 1655 P DC B 10 8212 8775 4059 3526 -448 -376 P ATOM 1656 OP1 DC B 10 3.351 -37.238 -5.114 1.00 55.94 O ANISOU 1656 OP1 DC B 10 8602 8539 4113 3699 -566 -581 O ATOM 1657 OP2 DC B 10 4.589 -35.285 -6.207 1.00 58.17 O ANISOU 1657 OP2 DC B 10 8306 9485 4313 3664 -229 -389 O ATOM 1658 O5' DC B 10 2.122 -35.180 -5.828 1.00 52.69 O ANISOU 1658 O5' DC B 10 7932 8387 3703 3170 -484 -270 O ATOM 1659 C5' DC B 10 0.914 -35.561 -5.183 1.00 50.22 C ANISOU 1659 C5' DC B 10 7808 7751 3522 2951 -641 -269 C ATOM 1660 C4' DC B 10 -0.257 -34.725 -5.667 1.00 50.51 C ANISOU 1660 C4' DC B 10 7771 7808 3614 2617 -647 -145 C ATOM 1661 O4' DC B 10 -0.146 -33.385 -5.153 1.00 46.81 O ANISOU 1661 O4' DC B 10 7036 7442 3309 2468 -584 66 O ATOM 1662 C3' DC B 10 -0.351 -34.544 -7.171 1.00 53.03 C ANISOU 1662 C3' DC B 10 8074 8342 3734 2601 -571 -168 C ATOM 1663 O3' DC B 10 -1.063 -35.622 -7.770 1.00 50.01 O ANISOU 1663 O3' DC B 10 7951 7826 3226 2582 -665 -355 O ATOM 1664 C2' DC B 10 -1.086 -33.206 -7.323 1.00 53.83 C ANISOU 1664 C2' DC B 10 7987 8524 3941 2327 -564 57 C ATOM 1665 C1' DC B 10 -0.936 -32.530 -5.952 1.00 42.68 C ANISOU 1665 C1' DC B 10 6428 7013 2776 2259 -565 185 C ATOM 1666 N1 DC B 10 -0.283 -31.190 -6.016 1.00 42.54 N ANISOU 1666 N1 DC B 10 6145 7205 2814 2231 -433 379 N ATOM 1667 C2 DC B 10 -1.063 -30.031 -5.907 1.00 42.77 C ANISOU 1667 C2 DC B 10 6053 7207 2990 1999 -444 563 C ATOM 1668 O2 DC B 10 -2.287 -30.137 -5.754 1.00 39.89 O ANISOU 1668 O2 DC B 10 5777 6677 2702 1835 -566 558 O ATOM 1669 N3 DC B 10 -0.453 -28.822 -5.972 1.00 41.34 N ANISOU 1669 N3 DC B 10 5657 7191 2859 1976 -319 743 N ATOM 1670 C4 DC B 10 0.869 -28.749 -6.137 1.00 43.88 C ANISOU 1670 C4 DC B 10 5861 7736 3077 2153 -183 748 C ATOM 1671 N4 DC B 10 1.426 -27.535 -6.195 1.00 46.48 N ANISOU 1671 N4 DC B 10 5976 8234 3449 2100 -52 945 N ATOM 1672 C5 DC B 10 1.678 -29.918 -6.251 1.00 46.29 C ANISOU 1672 C5 DC B 10 6257 8108 3224 2405 -170 554 C ATOM 1673 C6 DC B 10 1.066 -31.104 -6.187 1.00 48.93 C ANISOU 1673 C6 DC B 10 6829 8238 3523 2445 -301 374 C ATOM 1674 H5' DC B 10 1.014 -35.443 -4.226 1.00 60.46 H ATOM 1675 H5'' DC B 10 0.735 -36.496 -5.370 1.00 60.46 H ATOM 1676 H4' DC B 10 -1.082 -35.120 -5.344 1.00 60.81 H ATOM 1677 H3' DC B 10 0.538 -34.479 -7.553 1.00 63.83 H ATOM 1678 HO3' DC B 10 -1.767 -35.471 -8.202 1.00 60.21 H ATOM 1679 H2' DC B 10 -0.670 -32.667 -8.013 1.00 64.79 H ATOM 1680 H2'' DC B 10 -2.023 -33.355 -7.526 1.00 64.79 H ATOM 1681 H1' DC B 10 -1.812 -32.438 -5.546 1.00 51.41 H ATOM 1682 H41 DC B 10 2.276 -27.456 -6.301 1.00 55.97 H ATOM 1683 H42 DC B 10 0.934 -26.833 -6.127 1.00 55.97 H ATOM 1684 H5 DC B 10 2.599 -29.857 -6.367 1.00 55.74 H ATOM 1685 H6 DC B 10 1.569 -31.883 -6.259 1.00 58.91 H TER 1686 DC B 10 ATOM 1687 O5' DG C 1 -5.756 -19.634 -5.279 1.00 57.36 O ANISOU 1687 O5' DG C 1 8200 8511 5084 816 843 731 O ATOM 1688 C5' DG C 1 -6.888 -20.068 -6.022 1.00 56.56 C ANISOU 1688 C5' DG C 1 8105 8498 4885 1027 583 734 C ATOM 1689 C4' DG C 1 -7.336 -21.442 -5.566 1.00 52.81 C ANISOU 1689 C4' DG C 1 7329 8201 4537 888 321 683 C ATOM 1690 O4' DG C 1 -6.328 -22.424 -5.936 1.00 48.93 O ANISOU 1690 O4' DG C 1 6874 7656 4060 779 314 646 O ATOM 1691 C3' DG C 1 -7.531 -21.584 -4.058 1.00 51.67 C ANISOU 1691 C3' DG C 1 6886 8175 4573 671 323 669 C ATOM 1692 O3' DG C 1 -8.663 -22.399 -3.773 1.00 53.72 O ANISOU 1692 O3' DG C 1 6905 8627 4881 627 62 650 O ATOM 1693 C2' DG C 1 -6.225 -22.214 -3.594 1.00 48.26 C ANISOU 1693 C2' DG C 1 6418 7679 4241 451 419 637 C ATOM 1694 C1' DG C 1 -5.832 -23.077 -4.782 1.00 48.63 C ANISOU 1694 C1' DG C 1 6610 7672 4194 532 310 612 C ATOM 1695 N9 DG C 1 -4.389 -23.259 -4.930 1.00 49.27 N ANISOU 1695 N9 DG C 1 6766 7668 4286 461 481 573 N ATOM 1696 C8 DG C 1 -3.423 -22.280 -4.922 1.00 50.23 C ANISOU 1696 C8 DG C 1 6986 7705 4394 426 783 580 C ATOM 1697 N7 DG C 1 -2.213 -22.743 -5.078 1.00 50.73 N ANISOU 1697 N7 DG C 1 7037 7764 4475 358 880 518 N ATOM 1698 C5 DG C 1 -2.388 -24.115 -5.201 1.00 49.13 C ANISOU 1698 C5 DG C 1 6766 7615 4286 384 615 470 C ATOM 1699 C6 DG C 1 -1.433 -25.141 -5.391 1.00 45.98 C ANISOU 1699 C6 DG C 1 6344 7236 3892 386 564 381 C ATOM 1700 O6 DG C 1 -0.203 -25.035 -5.491 1.00 42.45 O ANISOU 1700 O6 DG C 1 5873 6810 3446 366 758 317 O ATOM 1701 N1 DG C 1 -2.034 -26.397 -5.462 1.00 46.28 N ANISOU 1701 N1 DG C 1 6382 7278 3925 417 244 356 N ATOM 1702 C2 DG C 1 -3.386 -26.628 -5.361 1.00 46.59 C ANISOU 1702 C2 DG C 1 6401 7334 3969 398 19 409 C ATOM 1703 N2 DG C 1 -3.780 -27.906 -5.454 1.00 49.87 N ANISOU 1703 N2 DG C 1 6839 7733 4377 377 -275 373 N ATOM 1704 N3 DG C 1 -4.290 -25.676 -5.183 1.00 47.78 N ANISOU 1704 N3 DG C 1 6511 7520 4123 403 73 481 N ATOM 1705 C4 DG C 1 -3.721 -24.448 -5.112 1.00 49.16 C ANISOU 1705 C4 DG C 1 6730 7659 4289 417 369 508 C ATOM 1706 H5' DG C 1 -6.657 -20.104 -6.963 1.00 68.06 H ATOM 1707 H5'' DG C 1 -7.614 -19.437 -5.895 1.00 68.06 H ATOM 1708 H4' DG C 1 -8.168 -21.664 -6.012 1.00 63.57 H ATOM 1709 H3' DG C 1 -7.640 -20.709 -3.654 1.00 62.20 H ATOM 1710 H2' DG C 1 -5.556 -21.532 -3.427 1.00 58.11 H ATOM 1711 H2'' DG C 1 -6.366 -22.760 -2.805 1.00 58.11 H ATOM 1712 H1' DG C 1 -6.256 -23.945 -4.700 1.00 58.54 H ATOM 1713 H8 DG C 1 -3.613 -21.376 -4.813 1.00 60.47 H ATOM 1714 H1 DG C 1 -1.521 -27.078 -5.577 1.00 55.73 H ATOM 1715 H21 DG C 1 -4.615 -28.104 -5.397 1.00 60.04 H ATOM 1716 H22 DG C 1 -3.198 -28.528 -5.570 1.00 60.04 H ATOM 1717 HO5' DG C 1 -5.411 -18.885 -5.439 1.00 69.03 H ATOM 1718 P DC C 2 -9.067 -22.739 -2.255 1.00 53.52 P ANISOU 1718 P DC C 2 6569 8759 5007 388 39 645 P ATOM 1719 OP1 DC C 2 -10.538 -22.616 -2.160 1.00 56.22 O ANISOU 1719 OP1 DC C 2 6706 9325 5329 476 -109 638 O ATOM 1720 OP2 DC C 2 -8.198 -21.949 -1.353 1.00 53.14 O ANISOU 1720 OP2 DC C 2 6555 8616 5019 306 293 652 O ATOM 1721 O5' DC C 2 -8.673 -24.280 -2.100 1.00 52.44 O ANISOU 1721 O5' DC C 2 6367 8616 4943 154 -134 624 O ATOM 1722 C5' DC C 2 -9.091 -25.213 -3.088 1.00 54.09 C ANISOU 1722 C5' DC C 2 6632 8832 5090 192 -378 600 C ATOM 1723 C4' DC C 2 -8.719 -26.629 -2.695 1.00 51.15 C ANISOU 1723 C4' DC C 2 6234 8416 4783 -46 -539 580 C ATOM 1724 O4' DC C 2 -7.321 -26.864 -3.011 1.00 48.13 O ANISOU 1724 O4' DC C 2 6046 7858 4384 -3 -442 550 O ATOM 1725 C3' DC C 2 -8.885 -26.945 -1.212 1.00 47.97 C ANISOU 1725 C3' DC C 2 5632 8100 4496 -311 -518 608 C ATOM 1726 O3' DC C 2 -9.456 -28.238 -1.040 1.00 49.68 O ANISOU 1726 O3' DC C 2 5796 8350 4732 -532 -766 608 O ATOM 1727 C2' DC C 2 -7.466 -26.849 -0.662 1.00 46.01 C ANISOU 1727 C2' DC C 2 5480 7709 4291 -344 -347 594 C ATOM 1728 C1' DC C 2 -6.609 -27.253 -1.854 1.00 46.53 C ANISOU 1728 C1' DC C 2 5770 7628 4283 -191 -386 546 C ATOM 1729 N1 DC C 2 -5.258 -26.600 -1.894 1.00 43.79 N ANISOU 1729 N1 DC C 2 5509 7191 3940 -108 -143 515 N ATOM 1730 C2 DC C 2 -4.109 -27.382 -2.069 1.00 42.71 C ANISOU 1730 C2 DC C 2 5463 6966 3798 -98 -171 449 C ATOM 1731 O2 DC C 2 -4.222 -28.609 -2.179 1.00 44.46 O ANISOU 1731 O2 DC C 2 5747 7143 4002 -137 -408 423 O ATOM 1732 N3 DC C 2 -2.900 -26.771 -2.110 1.00 41.38 N ANISOU 1732 N3 DC C 2 5313 6770 3639 -46 60 405 N ATOM 1733 C4 DC C 2 -2.816 -25.445 -1.988 1.00 40.08 C ANISOU 1733 C4 DC C 2 5127 6617 3485 -38 306 436 C ATOM 1734 N4 DC C 2 -1.602 -24.888 -2.033 1.00 38.89 N ANISOU 1734 N4 DC C 2 4985 6443 3346 -43 534 386 N ATOM 1735 C5 DC C 2 -3.973 -24.632 -1.814 1.00 40.90 C ANISOU 1735 C5 DC C 2 5201 6761 3580 -23 325 509 C ATOM 1736 C6 DC C 2 -5.160 -25.243 -1.777 1.00 41.80 C ANISOU 1736 C6 DC C 2 5249 6948 3686 -41 99 540 C ATOM 1737 H5' DC C 2 -8.665 -24.995 -3.932 1.00 65.11 H ATOM 1738 H5'' DC C 2 -10.053 -25.155 -3.193 1.00 65.11 H ATOM 1739 H4' DC C 2 -9.263 -27.247 -3.208 1.00 61.57 H ATOM 1740 H3' DC C 2 -9.448 -26.275 -0.793 1.00 57.76 H ATOM 1741 H2' DC C 2 -7.268 -25.941 -0.385 1.00 55.40 H ATOM 1742 H2'' DC C 2 -7.341 -27.468 0.074 1.00 55.40 H ATOM 1743 H1' DC C 2 -6.500 -28.216 -1.856 1.00 56.03 H ATOM 1744 H41 DC C 2 -1.517 -24.036 -1.957 1.00 46.86 H ATOM 1745 H42 DC C 2 -0.906 -25.382 -2.138 1.00 46.86 H ATOM 1746 H5 DC C 2 -3.904 -23.708 -1.730 1.00 49.28 H ATOM 1747 H6 DC C 2 -5.932 -24.737 -1.663 1.00 50.36 H ATOM 1748 P DC C 3 -9.921 -28.736 0.413 1.00 49.19 P ANISOU 1748 P DC C 3 5547 8394 4747 -848 -778 654 P ATOM 1749 OP1 DC C 3 -10.868 -29.855 0.213 1.00 48.98 O ANISOU 1749 OP1 DC C 3 5470 8429 4710 -1066 -1038 658 O ATOM 1750 OP2 DC C 3 -10.338 -27.552 1.198 1.00 47.86 O ANISOU 1750 OP2 DC C 3 5180 8395 4608 -800 -562 678 O ATOM 1751 O5' DC C 3 -8.576 -29.312 1.057 1.00 48.85 O ANISOU 1751 O5' DC C 3 5677 8152 4732 -929 -740 650 O ATOM 1752 C5' DC C 3 -7.804 -30.266 0.337 1.00 51.23 C ANISOU 1752 C5' DC C 3 6216 8258 4991 -876 -898 604 C ATOM 1753 C4' DC C 3 -6.539 -30.631 1.092 1.00 51.82 C ANISOU 1753 C4' DC C 3 6400 8198 5090 -899 -848 581 C ATOM 1754 O4' DC C 3 -5.504 -29.650 0.809 1.00 49.00 O ANISOU 1754 O4' DC C 3 6048 7825 4745 -687 -622 533 O ATOM 1755 C3' DC C 3 -6.684 -30.669 2.620 1.00 51.74 C ANISOU 1755 C3' DC C 3 6284 8247 5129 -1122 -791 637 C ATOM 1756 O3' DC C 3 -6.142 -31.875 3.139 1.00 51.99 O ANISOU 1756 O3' DC C 3 6501 8118 5132 -1238 -963 634 O ATOM 1757 C2' DC C 3 -5.910 -29.438 3.084 1.00 48.64 C ANISOU 1757 C2' DC C 3 5800 7900 4782 -995 -527 611 C ATOM 1758 C1' DC C 3 -4.845 -29.323 2.008 1.00 46.43 C ANISOU 1758 C1' DC C 3 5649 7513 4480 -765 -492 531 C ATOM 1759 N1 DC C 3 -4.218 -27.965 1.869 1.00 41.09 N ANISOU 1759 N1 DC C 3 4910 6872 3829 -630 -222 501 N ATOM 1760 C2 DC C 3 -2.874 -27.870 1.494 1.00 40.05 C ANISOU 1760 C2 DC C 3 4844 6675 3699 -511 -129 417 C ATOM 1761 O2 DC C 3 -2.232 -28.907 1.288 1.00 41.23 O ANISOU 1761 O2 DC C 3 5091 6752 3823 -468 -280 360 O ATOM 1762 N3 DC C 3 -2.311 -26.645 1.368 1.00 39.33 N ANISOU 1762 N3 DC C 3 4712 6605 3629 -450 125 394 N ATOM 1763 C4 DC C 3 -3.035 -25.551 1.597 1.00 38.90 C ANISOU 1763 C4 DC C 3 4604 6595 3582 -466 263 451 C ATOM 1764 N4 DC C 3 -2.434 -24.364 1.459 1.00 38.30 N ANISOU 1764 N4 DC C 3 4549 6492 3512 -425 505 428 N ATOM 1765 C5 DC C 3 -4.406 -25.624 1.979 1.00 38.13 C ANISOU 1765 C5 DC C 3 4431 6579 3476 -526 162 523 C ATOM 1766 C6 DC C 3 -4.952 -26.838 2.099 1.00 38.64 C ANISOU 1766 C6 DC C 3 4488 6659 3532 -625 -69 546 C ATOM 1767 H5' DC C 3 -7.563 -29.894 -0.526 1.00 61.67 H ATOM 1768 H5'' DC C 3 -8.335 -31.066 0.201 1.00 61.67 H ATOM 1769 H4' DC C 3 -6.235 -31.500 0.787 1.00 62.37 H ATOM 1770 H3' DC C 3 -7.618 -30.588 2.868 1.00 62.28 H ATOM 1771 H2' DC C 3 -6.484 -28.658 3.096 1.00 58.56 H ATOM 1772 H2'' DC C 3 -5.509 -29.590 3.954 1.00 58.56 H ATOM 1773 H1' DC C 3 -4.151 -29.979 2.178 1.00 55.91 H ATOM 1774 H41 DC C 3 -2.875 -23.640 1.600 1.00 46.16 H ATOM 1775 H42 DC C 3 -1.606 -24.325 1.229 1.00 46.16 H ATOM 1776 H5 DC C 3 -4.904 -24.854 2.137 1.00 45.94 H ATOM 1777 H6 DC C 3 -5.844 -26.915 2.347 1.00 46.56 H ATOM 1778 P DA C 4 -6.600 -32.423 4.577 1.00 54.30 P ANISOU 1778 P DA C 4 6787 8428 5418 -1536 -1005 719 P ATOM 1779 OP1 DA C 4 -7.467 -33.598 4.338 1.00 55.75 O ANISOU 1779 OP1 DA C 4 7091 8541 5550 -1767 -1242 767 O ATOM 1780 OP2 DA C 4 -7.104 -31.277 5.369 1.00 53.33 O ANISOU 1780 OP2 DA C 4 6411 8514 5338 -1582 -771 759 O ATOM 1781 O5' DA C 4 -5.231 -32.912 5.245 1.00 50.90 O ANISOU 1781 O5' DA C 4 6546 7828 4964 -1454 -1050 670 O ATOM 1782 C5' DA C 4 -4.378 -33.807 4.539 1.00 49.91 C ANISOU 1782 C5' DA C 4 6662 7510 4790 -1290 -1236 591 C ATOM 1783 C4' DA C 4 -2.927 -33.380 4.657 1.00 47.61 C ANISOU 1783 C4' DA C 4 6353 7213 4524 -1042 -1136 482 C ATOM 1784 O4' DA C 4 -2.765 -32.066 4.092 1.00 44.47 O ANISOU 1784 O4' DA C 4 5739 6964 4195 -913 -885 446 O ATOM 1785 C3' DA C 4 -2.402 -33.256 6.080 1.00 47.04 C ANISOU 1785 C3' DA C 4 6258 7158 4458 -1109 -1091 488 C ATOM 1786 O3' DA C 4 -1.810 -34.478 6.513 1.00 48.90 O ANISOU 1786 O3' DA C 4 6767 7208 4607 -1076 -1333 462 O ATOM 1787 C2' DA C 4 -1.379 -32.115 6.002 1.00 43.45 C ANISOU 1787 C2' DA C 4 5605 6823 4080 -922 -871 383 C ATOM 1788 C1' DA C 4 -1.592 -31.494 4.621 1.00 43.20 C ANISOU 1788 C1' DA C 4 5492 6846 4076 -804 -750 363 C ATOM 1789 N9 DA C 4 -1.741 -30.043 4.654 1.00 42.80 N ANISOU 1789 N9 DA C 4 5238 6931 4093 -810 -478 375 N ATOM 1790 C8 DA C 4 -2.876 -29.336 4.934 1.00 41.77 C ANISOU 1790 C8 DA C 4 4999 6893 3979 -933 -375 466 C ATOM 1791 N7 DA C 4 -2.711 -28.035 4.894 1.00 41.40 N ANISOU 1791 N7 DA C 4 4834 6920 3975 -875 -142 447 N ATOM 1792 C5 DA C 4 -1.374 -27.880 4.569 1.00 40.49 C ANISOU 1792 C5 DA C 4 4732 6771 3883 -754 -75 341 C ATOM 1793 C6 DA C 4 -0.569 -26.740 4.374 1.00 37.71 C ANISOU 1793 C6 DA C 4 4303 6452 3574 -697 158 275 C ATOM 1794 N6 DA C 4 -1.025 -25.488 4.486 1.00 34.53 N ANISOU 1794 N6 DA C 4 3852 6078 3188 -729 354 314 N ATOM 1795 N1 DA C 4 0.727 -26.937 4.059 1.00 39.15 N ANISOU 1795 N1 DA C 4 4467 6638 3772 -610 181 160 N ATOM 1796 C2 DA C 4 1.180 -28.191 3.948 1.00 40.59 C ANISOU 1796 C2 DA C 4 4721 6784 3917 -525 -31 108 C ATOM 1797 N3 DA C 4 0.522 -29.337 4.107 1.00 42.39 N ANISOU 1797 N3 DA C 4 5084 6930 4091 -548 -277 165 N ATOM 1798 C4 DA C 4 -0.762 -29.109 4.420 1.00 41.57 C ANISOU 1798 C4 DA C 4 4979 6831 3985 -693 -278 288 C ATOM 1799 H5' DA C 4 -4.632 -33.818 3.603 1.00 60.08 H ATOM 1800 H5'' DA C 4 -4.478 -34.699 4.906 1.00 60.08 H ATOM 1801 H4' DA C 4 -2.371 -34.006 4.167 1.00 57.33 H ATOM 1802 H3' DA C 4 -3.125 -33.009 6.677 1.00 56.64 H ATOM 1803 H2' DA C 4 -1.551 -31.460 6.696 1.00 52.33 H ATOM 1804 H2'' DA C 4 -0.479 -32.462 6.079 1.00 52.33 H ATOM 1805 H1' DA C 4 -0.842 -31.723 4.051 1.00 52.03 H ATOM 1806 H8 DA C 4 -3.690 -29.739 5.131 1.00 50.32 H ATOM 1807 H61 DA C 4 -0.494 -24.824 4.358 1.00 40.46 H ATOM 1808 H62 DA C 4 -1.849 -25.347 4.686 1.00 40.46 H ATOM 1809 H2 DA C 4 2.080 -28.273 3.729 1.00 48.90 H HETATM 1810 N1 5CM C 5 1.704 -29.979 7.699 1.00 42.68 N ANISOU 1810 N1 5CM C 5 5089 6986 4142 -717 -502 82 N HETATM 1811 C2 5CM C 5 2.078 -28.680 7.431 1.00 41.33 C ANISOU 1811 C2 5CM C 5 4730 6921 4053 -722 -247 29 C HETATM 1812 N3 5CM C 5 1.204 -27.670 7.629 1.00 40.32 N ANISOU 1812 N3 5CM C 5 4547 6823 3951 -850 -70 118 N HETATM 1813 C4 5CM C 5 -0.040 -27.939 8.090 1.00 39.38 C ANISOU 1813 C4 5CM C 5 4496 6682 3784 -969 -131 249 C HETATM 1814 C5 5CM C 5 -0.475 -29.282 8.382 1.00 37.52 C ANISOU 1814 C5 5CM C 5 4419 6364 3472 -1020 -371 314 C HETATM 1815 C5A 5CM C 5 -1.851 -29.631 8.909 1.00 37.53 C ANISOU 1815 C5A 5CM C 5 4471 6372 3416 -1213 -418 458 C HETATM 1816 C6 5CM C 5 0.437 -30.239 8.169 1.00 40.48 C ANISOU 1816 C6 5CM C 5 4905 6659 3817 -891 -553 231 C HETATM 1817 O2 5CM C 5 3.192 -28.453 7.018 1.00 41.86 O ANISOU 1817 O2 5CM C 5 4691 7056 4160 -612 -180 -103 O HETATM 1818 N4 5CM C 5 -0.843 -26.857 8.256 1.00 40.81 N ANISOU 1818 N4 5CM C 5 4597 6924 3984 -1040 53 309 N HETATM 1819 C1' 5CM C 5 2.663 -31.070 7.479 1.00 43.53 C ANISOU 1819 C1' 5CM C 5 5301 7037 4199 -524 -714 -27 C HETATM 1820 C2' 5CM C 5 3.104 -31.801 8.739 1.00 44.78 C ANISOU 1820 C2' 5CM C 5 5578 7143 4292 -508 -927 -58 C HETATM 1821 C3' 5CM C 5 2.969 -33.281 8.441 1.00 44.64 C ANISOU 1821 C3' 5CM C 5 5862 6939 4159 -409 -1214 -33 C HETATM 1822 C4' 5CM C 5 2.432 -33.368 7.022 1.00 42.82 C ANISOU 1822 C4' 5CM C 5 5655 6674 3940 -381 -1165 1 C HETATM 1823 O4' 5CM C 5 2.058 -32.045 6.626 1.00 42.04 O ANISOU 1823 O4' 5CM C 5 5316 6716 3939 -482 -873 34 O HETATM 1824 O3' 5CM C 5 4.233 -33.944 8.536 1.00 44.09 O ANISOU 1824 O3' 5CM C 5 5839 6868 4044 -135 -1395 -200 O HETATM 1825 C5' 5CM C 5 1.237 -34.303 6.940 1.00 44.39 C ANISOU 1825 C5' 5CM C 5 6122 6689 4054 -544 -1342 149 C HETATM 1826 O5' 5CM C 5 0.236 -33.845 7.867 1.00 44.45 O ANISOU 1826 O5' 5CM C 5 6076 6738 4075 -827 -1246 290 O HETATM 1827 P 5CM C 5 -1.181 -34.595 7.988 1.00 46.80 P ANISOU 1827 P 5CM C 5 6560 6921 4302 -1104 -1363 458 P HETATM 1828 OP1 5CM C 5 -0.923 -36.008 8.253 1.00 49.32 O ANISOU 1828 OP1 5CM C 5 7246 7000 4493 -1085 -1658 464 O HETATM 1829 OP2 5CM C 5 -2.010 -33.817 8.904 1.00 46.01 O ANISOU 1829 OP2 5CM C 5 6293 6960 4227 -1337 -1181 562 O HETATM 1830 H5A1 5CM C 5 -2.267 -28.808 9.426 1.00 45.23 H HETATM 1831 H5A2 5CM C 5 -2.481 -29.889 8.098 1.00 45.23 H HETATM 1832 H5A3 5CM C 5 -1.774 -30.456 9.569 1.00 45.23 H HETATM 1833 H6 5CM C 5 0.164 -31.267 8.374 1.00 48.77 H HETATM 1834 HN41 5CM C 5 -1.787 -26.959 8.596 1.00 49.16 H HETATM 1835 HN42 5CM C 5 -0.495 -25.938 8.037 1.00 49.16 H HETATM 1836 H1' 5CM C 5 3.566 -30.685 6.985 1.00 52.42 H HETATM 1837 H2' 5CM C 5 4.141 -31.556 8.966 1.00 53.92 H HETATM 1838 H2'' 5CM C 5 2.476 -31.523 9.587 1.00 53.92 H HETATM 1839 H3' 5CM C 5 2.247 -33.729 9.138 1.00 53.76 H HETATM 1840 H4' 5CM C 5 3.226 -33.747 6.364 1.00 51.57 H HETATM 1841 H5' 5CM C 5 1.542 -35.320 7.194 1.00 53.46 H HETATM 1842 H5'' 5CM C 5 0.835 -34.308 5.925 1.00 53.46 H ATOM 1843 P DG C 6 4.773 -34.465 9.959 1.00 47.16 P ANISOU 1843 P DG C 6 6364 7208 4345 -81 -1607 -240 P ATOM 1844 OP1 DG C 6 6.003 -35.243 9.696 1.00 49.36 O ANISOU 1844 OP1 DG C 6 6692 7494 4567 277 -1819 -431 O ATOM 1845 OP2 DG C 6 3.642 -35.091 10.687 1.00 47.16 O ANISOU 1845 OP2 DG C 6 6672 7010 4236 -313 -1723 -43 O ATOM 1846 O5' DG C 6 5.188 -33.126 10.729 1.00 45.22 O ANISOU 1846 O5' DG C 6 5795 7179 4208 -182 -1387 -303 O ATOM 1847 C5' DG C 6 6.313 -32.378 10.291 1.00 46.27 C ANISOU 1847 C5' DG C 6 5601 7527 4450 -47 -1248 -493 C ATOM 1848 C4' DG C 6 6.352 -31.017 10.959 1.00 43.99 C ANISOU 1848 C4' DG C 6 5070 7382 4263 -243 -1019 -508 C ATOM 1849 O4' DG C 6 5.176 -30.269 10.594 1.00 42.48 O ANISOU 1849 O4' DG C 6 4878 7148 4115 -467 -793 -342 O ATOM 1850 C3' DG C 6 6.362 -31.054 12.485 1.00 44.83 C ANISOU 1850 C3' DG C 6 5269 7467 4298 -306 -1150 -499 C ATOM 1851 O3' DG C 6 7.678 -30.805 12.973 1.00 47.55 O ANISOU 1851 O3' DG C 6 5407 7982 4679 -163 -1222 -719 O ATOM 1852 C2' DG C 6 5.358 -29.968 12.913 1.00 42.18 C ANISOU 1852 C2' DG C 6 4887 7136 4004 -583 -910 -364 C ATOM 1853 C1' DG C 6 4.903 -29.334 11.602 1.00 40.53 C ANISOU 1853 C1' DG C 6 4556 6950 3893 -643 -671 -313 C ATOM 1854 N9 DG C 6 3.479 -29.005 11.560 1.00 37.87 N ANISOU 1854 N9 DG C 6 4307 6543 3538 -826 -545 -123 N ATOM 1855 C8 DG C 6 2.421 -29.857 11.772 1.00 37.88 C ANISOU 1855 C8 DG C 6 4524 6429 3441 -910 -666 36 C ATOM 1856 N7 DG C 6 1.257 -29.277 11.663 1.00 36.97 N ANISOU 1856 N7 DG C 6 4376 6334 3338 -1064 -504 163 N ATOM 1857 C5 DG C 6 1.563 -27.957 11.355 1.00 36.23 C ANISOU 1857 C5 DG C 6 4086 6337 3345 -1057 -272 91 C ATOM 1858 C6 DG C 6 0.709 -26.852 11.121 1.00 35.42 C ANISOU 1858 C6 DG C 6 3899 6279 3279 -1139 -47 159 C ATOM 1859 O6 DG C 6 -0.530 -26.821 11.139 1.00 35.18 O ANISOU 1859 O6 DG C 6 3896 6261 3208 -1223 -6 286 O ATOM 1860 N1 DG C 6 1.431 -25.692 10.843 1.00 35.27 N ANISOU 1860 N1 DG C 6 3754 6304 3344 -1113 136 54 N ATOM 1861 C2 DG C 6 2.804 -25.613 10.798 1.00 35.94 C ANISOU 1861 C2 DG C 6 3745 6427 3486 -1053 121 -104 C ATOM 1862 N2 DG C 6 3.322 -24.410 10.513 1.00 36.12 N ANISOU 1862 N2 DG C 6 3658 6482 3584 -1099 330 -184 N ATOM 1863 N3 DG C 6 3.613 -26.639 11.016 1.00 36.77 N ANISOU 1863 N3 DG C 6 3865 6541 3565 -954 -90 -187 N ATOM 1864 C4 DG C 6 2.926 -27.775 11.288 1.00 36.81 C ANISOU 1864 C4 DG C 6 4050 6461 3474 -944 -286 -78 C ATOM 1865 H5' DG C 6 6.263 -32.260 9.330 1.00 55.71 H ATOM 1866 H5'' DG C 6 7.123 -32.864 10.511 1.00 55.71 H ATOM 1867 H4' DG C 6 7.137 -30.538 10.651 1.00 52.98 H ATOM 1868 H3' DG C 6 6.057 -31.922 12.793 1.00 53.99 H ATOM 1869 H2' DG C 6 4.605 -30.367 13.376 1.00 50.81 H ATOM 1870 H2'' DG C 6 5.791 -29.307 13.475 1.00 50.81 H ATOM 1871 H1' DG C 6 5.421 -28.530 11.440 1.00 48.83 H ATOM 1872 H8 DG C 6 2.525 -30.759 11.975 1.00 44.68 H ATOM 1873 H1 DG C 6 0.985 -24.973 10.688 1.00 41.66 H ATOM 1874 H21 DG C 6 4.173 -24.290 10.544 1.00 42.41 H ATOM 1875 H22 DG C 6 2.804 -23.759 10.299 1.00 42.41 H ATOM 1876 P DC C 7 7.950 -30.647 14.547 1.00 50.14 P ANISOU 1876 P DC C 7 5784 8333 4935 -194 -1360 -768 P ATOM 1877 OP1 DC C 7 9.337 -31.086 14.811 1.00 52.61 O ANISOU 1877 OP1 DC C 7 5969 8788 5232 81 -1588 -1008 O ATOM 1878 OP2 DC C 7 6.823 -31.279 15.268 1.00 49.47 O ANISOU 1878 OP2 DC C 7 6063 8037 4697 -306 -1460 -553 O ATOM 1879 O5' DC C 7 7.856 -29.072 14.785 1.00 47.89 O ANISOU 1879 O5' DC C 7 5249 8171 4778 -437 -1065 -793 O ATOM 1880 C5' DC C 7 8.519 -28.184 13.899 1.00 48.08 C ANISOU 1880 C5' DC C 7 4957 8352 4958 -476 -846 -920 C ATOM 1881 C4' DC C 7 8.032 -26.765 14.101 1.00 46.57 C ANISOU 1881 C4' DC C 7 4682 8167 4846 -738 -568 -871 C ATOM 1882 O4' DC C 7 6.667 -26.660 13.639 1.00 44.22 O ANISOU 1882 O4' DC C 7 4558 7722 4520 -843 -425 -647 O ATOM 1883 C3' DC C 7 8.022 -26.297 15.561 1.00 50.48 C ANISOU 1883 C3' DC C 7 5228 8666 5286 -830 -639 -908 C ATOM 1884 O3' DC C 7 9.020 -25.308 15.782 1.00 53.44 O ANISOU 1884 O3' DC C 7 5344 9193 5769 -918 -557 -1113 O ATOM 1885 C2' DC C 7 6.608 -25.752 15.792 1.00 49.01 C ANISOU 1885 C2' DC C 7 5221 8347 5053 -1000 -464 -700 C ATOM 1886 C1' DC C 7 6.009 -25.678 14.395 1.00 45.43 C ANISOU 1886 C1' DC C 7 4751 7845 4666 -1018 -284 -585 C ATOM 1887 N1 DC C 7 4.542 -25.941 14.359 1.00 44.26 N ANISOU 1887 N1 DC C 7 4798 7583 4438 -1080 -240 -363 N ATOM 1888 C2 DC C 7 3.666 -24.925 13.967 1.00 43.64 C ANISOU 1888 C2 DC C 7 4703 7481 4396 -1189 4 -272 C ATOM 1889 O2 DC C 7 4.125 -23.821 13.647 1.00 43.06 O ANISOU 1889 O2 DC C 7 4512 7436 4412 -1244 183 -360 O ATOM 1890 N3 DC C 7 2.334 -25.181 13.944 1.00 44.33 N ANISOU 1890 N3 DC C 7 4910 7521 4414 -1233 33 -95 N ATOM 1891 C4 DC C 7 1.878 -26.384 14.296 1.00 44.95 C ANISOU 1891 C4 DC C 7 5133 7555 4390 -1228 -152 1 C ATOM 1892 N4 DC C 7 0.557 -26.587 14.259 1.00 44.59 N ANISOU 1892 N4 DC C 7 5160 7497 4285 -1317 -104 164 N ATOM 1893 C5 DC C 7 2.757 -27.431 14.702 1.00 45.35 C ANISOU 1893 C5 DC C 7 5269 7574 4387 -1130 -401 -72 C ATOM 1894 C6 DC C 7 4.067 -27.168 14.719 1.00 45.90 C ANISOU 1894 C6 DC C 7 5203 7712 4526 -1031 -445 -260 C ATOM 1895 H5' DC C 7 8.343 -28.454 12.984 1.00 57.89 H ATOM 1896 H5'' DC C 7 9.474 -28.221 14.065 1.00 57.89 H ATOM 1897 H4' DC C 7 8.588 -26.164 13.581 1.00 56.08 H ATOM 1898 H3' DC C 7 8.178 -27.054 16.147 1.00 60.77 H ATOM 1899 H2' DC C 7 6.098 -26.359 16.350 1.00 59.00 H ATOM 1900 H2'' DC C 7 6.645 -24.870 16.192 1.00 59.00 H ATOM 1901 H1' DC C 7 6.191 -24.805 14.014 1.00 54.71 H ATOM 1902 H41 DC C 7 0.233 -27.352 14.480 1.00 53.70 H ATOM 1903 H42 DC C 7 0.031 -25.952 14.014 1.00 53.70 H ATOM 1904 H5 DC C 7 2.430 -28.267 14.945 1.00 54.61 H ATOM 1905 H6 DC C 7 4.664 -27.832 14.980 1.00 55.28 H ATOM 1906 P DC C 8 9.261 -24.724 17.258 1.00 53.23 P ANISOU 1906 P DC C 8 5339 9195 5690 -1001 -652 -1214 P ATOM 1907 OP1 DC C 8 10.657 -24.237 17.327 1.00 57.78 O ANISOU 1907 OP1 DC C 8 5597 9978 6377 -1021 -690 -1486 O ATOM 1908 OP2 DC C 8 8.782 -25.733 18.228 1.00 52.14 O ANISOU 1908 OP2 DC C 8 5481 8962 5367 -869 -901 -1116 O ATOM 1909 O5' DC C 8 8.271 -23.473 17.340 1.00 50.49 O ANISOU 1909 O5' DC C 8 5088 8731 5362 -1230 -369 -1090 O ATOM 1910 C5' DC C 8 8.341 -22.446 16.360 1.00 50.56 C ANISOU 1910 C5' DC C 8 4968 8739 5506 -1380 -90 -1103 C ATOM 1911 C4' DC C 8 7.315 -21.365 16.638 1.00 48.70 C ANISOU 1911 C4' DC C 8 4901 8364 5240 -1524 116 -988 C ATOM 1912 O4' DC C 8 5.997 -21.865 16.306 1.00 46.21 O ANISOU 1912 O4' DC C 8 4765 7950 4843 -1453 158 -759 O ATOM 1913 C3' DC C 8 7.253 -20.909 18.100 1.00 49.84 C ANISOU 1913 C3' DC C 8 5151 8492 5292 -1574 26 -1056 C ATOM 1914 O3' DC C 8 7.519 -19.516 18.209 1.00 51.61 O ANISOU 1914 O3' DC C 8 5353 8673 5584 -1755 196 -1162 O ATOM 1915 C2' DC C 8 5.838 -21.264 18.559 1.00 47.64 C ANISOU 1915 C2' DC C 8 5114 8121 4865 -1514 39 -842 C ATOM 1916 C1' DC C 8 5.068 -21.415 17.259 1.00 45.65 C ANISOU 1916 C1' DC C 8 4865 7816 4665 -1493 198 -678 C ATOM 1917 N1 DC C 8 3.950 -22.399 17.336 1.00 42.26 N ANISOU 1917 N1 DC C 8 4577 7359 4122 -1419 131 -482 N ATOM 1918 C2 DC C 8 2.625 -21.954 17.265 1.00 39.59 C ANISOU 1918 C2 DC C 8 4332 6981 3729 -1446 298 -330 C ATOM 1919 O2 DC C 8 2.398 -20.745 17.136 1.00 40.25 O ANISOU 1919 O2 DC C 8 4418 7027 3848 -1489 485 -358 O ATOM 1920 N3 DC C 8 1.624 -22.866 17.337 1.00 38.08 N ANISOU 1920 N3 DC C 8 4230 6798 3442 -1427 242 -164 N ATOM 1921 C4 DC C 8 1.909 -24.162 17.476 1.00 38.37 C ANISOU 1921 C4 DC C 8 4326 6826 3425 -1390 29 -134 C ATOM 1922 N4 DC C 8 0.890 -25.023 17.543 1.00 38.24 N ANISOU 1922 N4 DC C 8 4422 6798 3310 -1426 -13 34 N ATOM 1923 C5 DC C 8 3.252 -24.632 17.550 1.00 39.18 C ANISOU 1923 C5 DC C 8 4381 6939 3567 -1312 -159 -286 C ATOM 1924 C6 DC C 8 4.230 -23.726 17.477 1.00 40.53 C ANISOU 1924 C6 DC C 8 4400 7156 3844 -1326 -98 -462 C ATOM 1925 H5' DC C 8 8.172 -22.828 15.485 1.00 60.87 H ATOM 1926 H5'' DC C 8 9.228 -22.054 16.371 1.00 60.87 H ATOM 1927 H4' DC C 8 7.509 -20.597 16.078 1.00 58.64 H ATOM 1928 H3' DC C 8 7.900 -21.407 18.624 1.00 60.00 H ATOM 1929 H2' DC C 8 5.840 -22.098 19.053 1.00 57.36 H ATOM 1930 H2'' DC C 8 5.464 -20.548 19.095 1.00 57.36 H ATOM 1931 H1' DC C 8 4.722 -20.551 16.987 1.00 54.98 H ATOM 1932 H41 DC C 8 1.044 -25.867 17.604 1.00 45.31 H ATOM 1933 H42 DC C 8 0.081 -24.734 17.525 1.00 45.31 H ATOM 1934 H5 DC C 8 3.441 -25.538 17.646 1.00 46.44 H ATOM 1935 H6 DC C 8 5.116 -24.004 17.524 1.00 48.83 H ATOM 1936 P DT C 9 7.761 -18.855 19.653 1.00 56.39 P ANISOU 1936 P DT C 9 6044 9269 6111 -1827 97 -1303 P ATOM 1937 OP1 DT C 9 8.529 -17.607 19.448 1.00 59.68 O ANISOU 1937 OP1 DT C 9 6365 9663 6649 -2048 230 -1474 O ATOM 1938 OP2 DT C 9 8.286 -19.904 20.555 1.00 54.63 O ANISOU 1938 OP2 DT C 9 5795 9164 5798 -1686 -209 -1382 O ATOM 1939 O5' DT C 9 6.289 -18.484 20.154 1.00 54.34 O ANISOU 1939 O5' DT C 9 6064 8876 5705 -1784 217 -1122 O ATOM 1940 C5' DT C 9 5.475 -17.610 19.383 1.00 53.65 C ANISOU 1940 C5' DT C 9 6069 8665 5651 -1829 477 -1011 C ATOM 1941 C4' DT C 9 4.149 -17.357 20.075 1.00 50.33 C ANISOU 1941 C4' DT C 9 5865 8188 5069 -1741 550 -882 C ATOM 1942 O4' DT C 9 3.252 -18.469 19.811 1.00 49.04 O ANISOU 1942 O4' DT C 9 5704 8087 4841 -1625 516 -689 O ATOM 1943 C3' DT C 9 4.242 -17.221 21.597 1.00 50.32 C ANISOU 1943 C3' DT C 9 5986 8211 4923 -1730 420 -982 C ATOM 1944 O3' DT C 9 3.611 -16.026 22.035 1.00 49.91 O ANISOU 1944 O3' DT C 9 6119 8053 4792 -1734 575 -1002 O ATOM 1945 C2' DT C 9 3.552 -18.475 22.132 1.00 50.22 C ANISOU 1945 C2' DT C 9 6029 8289 4764 -1612 302 -831 C ATOM 1946 C1' DT C 9 2.612 -18.864 21.000 1.00 48.59 C ANISOU 1946 C1' DT C 9 5778 8080 4606 -1569 441 -634 C ATOM 1947 N1 DT C 9 2.308 -20.338 20.914 1.00 46.88 N ANISOU 1947 N1 DT C 9 5550 7929 4334 -1517 301 -495 N ATOM 1948 C2 DT C 9 1.017 -20.743 20.659 1.00 45.37 C ANISOU 1948 C2 DT C 9 5398 7767 4071 -1493 400 -303 C ATOM 1949 O2 DT C 9 0.091 -19.969 20.501 1.00 44.69 O ANISOU 1949 O2 DT C 9 5329 7688 3964 -1473 590 -247 O ATOM 1950 N3 DT C 9 0.845 -22.099 20.594 1.00 45.50 N ANISOU 1950 N3 DT C 9 5441 7809 4036 -1490 255 -188 N ATOM 1951 C4 DT C 9 1.813 -23.074 20.754 1.00 44.18 C ANISOU 1951 C4 DT C 9 5296 7623 3866 -1460 16 -245 C ATOM 1952 O4 DT C 9 1.556 -24.272 20.679 1.00 44.72 O ANISOU 1952 O4 DT C 9 5451 7673 3866 -1451 -113 -131 O ATOM 1953 C5 DT C 9 3.144 -22.585 21.017 1.00 43.75 C ANISOU 1953 C5 DT C 9 5163 7574 3886 -1436 -84 -460 C ATOM 1954 C7 DT C 9 4.276 -23.550 21.209 1.00 43.36 C ANISOU 1954 C7 DT C 9 5101 7544 3831 -1347 -362 -564 C ATOM 1955 C6 DT C 9 3.328 -21.257 21.080 1.00 46.36 C ANISOU 1955 C6 DT C 9 5439 7893 4282 -1492 67 -573 C ATOM 1956 H5' DT C 9 5.310 -18.010 18.515 1.00 64.57 H ATOM 1957 H5'' DT C 9 5.938 -16.766 19.263 1.00 64.57 H ATOM 1958 H4' DT C 9 3.757 -16.547 19.713 1.00 60.59 H ATOM 1959 H3' DT C 9 5.173 -17.218 21.869 1.00 60.58 H ATOM 1960 H2' DT C 9 4.202 -19.173 22.300 1.00 60.46 H ATOM 1961 H2'' DT C 9 3.051 -18.271 22.937 1.00 60.46 H ATOM 1962 H1' DT C 9 1.782 -18.372 21.093 1.00 58.51 H ATOM 1963 H3 DT C 9 0.046 -22.376 20.438 1.00 54.79 H ATOM 1964 H71 DT C 9 3.920 -24.432 21.397 1.00 52.23 H ATOM 1965 H72 DT C 9 4.813 -23.584 20.402 1.00 52.23 H ATOM 1966 H73 DT C 9 4.827 -23.258 21.952 1.00 52.23 H ATOM 1967 H6 DT C 9 4.185 -20.939 21.250 1.00 55.82 H ATOM 1968 P DC C 10 3.809 -15.518 23.545 1.00 50.46 P ANISOU 1968 P DC C 10 6355 8111 4707 -1736 473 -1151 P ATOM 1969 OP1 DC C 10 3.961 -14.048 23.504 1.00 52.00 O ANISOU 1969 OP1 DC C 10 6684 8138 4936 -1827 603 -1279 O ATOM 1970 OP2 DC C 10 4.863 -16.349 24.168 1.00 51.52 O ANISOU 1970 OP2 DC C 10 6384 8354 4837 -1759 206 -1270 O ATOM 1971 O5' DC C 10 2.418 -15.874 24.250 1.00 49.81 O ANISOU 1971 O5' DC C 10 6424 8095 4407 -1576 541 -985 O ATOM 1972 C5' DC C 10 1.231 -15.206 23.845 1.00 47.85 C ANISOU 1972 C5' DC C 10 6257 7806 4117 -1483 770 -877 C ATOM 1973 C4' DC C 10 -0.005 -16.014 24.201 1.00 46.76 C ANISOU 1973 C4' DC C 10 6122 7824 3821 -1370 823 -691 C ATOM 1974 O4' DC C 10 0.035 -17.289 23.533 1.00 48.08 O ANISOU 1974 O4' DC C 10 6133 8067 4067 -1412 735 -556 O ATOM 1975 C3' DC C 10 -0.150 -16.367 25.669 1.00 47.60 C ANISOU 1975 C3' DC C 10 6368 8020 3698 -1335 737 -712 C ATOM 1976 O3' DC C 10 -0.798 -15.318 26.380 1.00 49.14 O ANISOU 1976 O3' DC C 10 6733 8203 3737 -1227 878 -777 O ATOM 1977 C2' DC C 10 -0.983 -17.654 25.643 1.00 49.61 C ANISOU 1977 C2' DC C 10 6555 8427 3867 -1332 742 -499 C ATOM 1978 C1' DC C 10 -0.827 -18.181 24.210 1.00 48.57 C ANISOU 1978 C1' DC C 10 6235 8265 3953 -1383 728 -414 C ATOM 1979 N1 DC C 10 -0.251 -19.560 24.139 1.00 46.88 N ANISOU 1979 N1 DC C 10 5983 8070 3760 -1447 520 -354 N ATOM 1980 C2 DC C 10 -1.096 -20.656 23.914 1.00 44.66 C ANISOU 1980 C2 DC C 10 5681 7869 3418 -1478 527 -158 C ATOM 1981 O2 DC C 10 -2.311 -20.465 23.769 1.00 43.91 O ANISOU 1981 O2 DC C 10 5544 7872 3268 -1465 712 -45 O ATOM 1982 N3 DC C 10 -0.556 -21.899 23.859 1.00 46.82 N ANISOU 1982 N3 DC C 10 5987 8113 3690 -1518 321 -109 N ATOM 1983 C4 DC C 10 0.758 -22.065 24.020 1.00 48.62 C ANISOU 1983 C4 DC C 10 6227 8274 3972 -1489 113 -257 C ATOM 1984 N4 DC C 10 1.244 -23.310 23.959 1.00 47.43 N ANISOU 1984 N4 DC C 10 6132 8090 3797 -1476 -104 -214 N ATOM 1985 C5 DC C 10 1.633 -20.963 24.252 1.00 50.51 C ANISOU 1985 C5 DC C 10 6424 8480 4287 -1472 107 -467 C ATOM 1986 C6 DC C 10 1.090 -19.742 24.305 1.00 51.06 C ANISOU 1986 C6 DC C 10 6503 8540 4357 -1471 314 -502 C ATOM 1987 H5' DC C 10 1.255 -15.069 22.885 1.00 57.61 H ATOM 1988 H5'' DC C 10 1.185 -14.344 24.287 1.00 57.61 H ATOM 1989 H4' DC C 10 -0.794 -15.530 23.912 1.00 56.31 H ATOM 1990 H3' DC C 10 0.722 -16.543 26.056 1.00 57.12 H ATOM 1991 HO3' DC C 10 -1.523 -15.466 26.779 1.00 58.97 H ATOM 1992 H2' DC C 10 -0.633 -18.297 26.280 1.00 59.72 H ATOM 1993 H2'' DC C 10 -1.914 -17.459 25.833 1.00 59.72 H ATOM 1994 H1' DC C 10 -1.693 -18.175 23.774 1.00 58.47 H ATOM 1995 H41 DC C 10 2.087 -23.448 24.059 1.00 57.10 H ATOM 1996 H42 DC C 10 0.713 -23.972 23.820 1.00 57.10 H ATOM 1997 H5 DC C 10 2.548 -21.089 24.364 1.00 60.80 H ATOM 1998 H6 DC C 10 1.636 -19.005 24.456 1.00 61.46 H TER 1999 DC C 10 HETATM 2000 ZN ZN A 501 -2.344 -42.977 22.876 1.00 64.81 ZN HETATM 2001 ZN ZN A 502 -16.904 -22.021 13.780 1.00 39.41 ZN HETATM 2002 ZN ZN A 503 3.603 -7.915 4.311 1.00 62.21 ZN HETATM 2003 O HOH A 601 -9.116 -8.515 9.307 1.00 37.79 O HETATM 2004 O HOH A 602 -17.946 -16.824 18.343 1.00 20.03 O HETATM 2005 O HOH A 603 -6.858 -15.396 9.102 1.00 32.30 O HETATM 2006 O HOH A 604 -20.289 -16.902 3.739 1.00 36.50 O HETATM 2007 O HOH B 101 1.879 -17.968 4.554 1.00 16.40 O HETATM 2008 O HOH B 102 -0.325 -16.862 5.634 1.00 32.02 O HETATM 2009 O HOH C 101 -2.570 -27.991 12.068 1.00 3.47 O HETATM 2010 O HOH C 102 6.916 -21.028 22.360 1.00 29.82 O HETATM 2011 O HOH C 103 -6.430 -29.498 7.312 1.00 22.66 O CONECT 50 2002 CONECT 110 2002 CONECT 314 2002 CONECT 388 2002 CONECT 511 2001 CONECT 576 2001 CONECT 791 2001 CONECT 875 2001 CONECT 1001 2000 CONECT 1050 2000 CONECT 1253 2000 CONECT 1333 2000 CONECT 1466 1508 CONECT 1491 1492 1497 1500 CONECT 1492 1491 1493 1498 CONECT 1493 1492 1494 CONECT 1494 1493 1495 1499 CONECT 1495 1494 1496 1497 CONECT 1496 1495 1511 1512 1513 CONECT 1497 1491 1495 1514 CONECT 1498 1492 CONECT 1499 1494 1515 1516 CONECT 1500 1491 1501 1504 1517 CONECT 1501 1500 1502 1518 1519 CONECT 1502 1501 1503 1505 1520 CONECT 1503 1502 1504 1506 1521 CONECT 1504 1500 1503 CONECT 1505 1502 1524 CONECT 1506 1503 1507 1522 1523 CONECT 1507 1506 1508 CONECT 1508 1466 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1496 CONECT 1512 1496 CONECT 1513 1496 CONECT 1514 1497 CONECT 1515 1499 CONECT 1516 1499 CONECT 1517 1500 CONECT 1518 1501 CONECT 1519 1501 CONECT 1520 1502 CONECT 1521 1503 CONECT 1522 1506 CONECT 1523 1506 CONECT 1524 1505 CONECT 1786 1827 CONECT 1810 1811 1816 1819 CONECT 1811 1810 1812 1817 CONECT 1812 1811 1813 CONECT 1813 1812 1814 1818 CONECT 1814 1813 1815 1816 CONECT 1815 1814 1830 1831 1832 CONECT 1816 1810 1814 1833 CONECT 1817 1811 CONECT 1818 1813 1834 1835 CONECT 1819 1810 1820 1823 1836 CONECT 1820 1819 1821 1837 1838 CONECT 1821 1820 1822 1824 1839 CONECT 1822 1821 1823 1825 1840 CONECT 1823 1819 1822 CONECT 1824 1821 1843 CONECT 1825 1822 1826 1841 1842 CONECT 1826 1825 1827 CONECT 1827 1786 1826 1828 1829 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1815 CONECT 1831 1815 CONECT 1832 1815 CONECT 1833 1816 CONECT 1834 1818 CONECT 1835 1818 CONECT 1836 1819 CONECT 1837 1820 CONECT 1838 1820 CONECT 1839 1821 CONECT 1840 1822 CONECT 1841 1825 CONECT 1842 1825 CONECT 1843 1824 CONECT 2000 1001 1050 1253 1333 CONECT 2001 511 576 791 875 CONECT 2002 50 110 314 388 MASTER 357 0 5 4 6 0 3 6 1123 3 85 10 END
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Related entries of code: 5ke8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4m9e
RCSB PDB
PDBbind
88aa, >4M9E_1|Chain... at 100%
5ke6
RCSB PDB
PDBbind
93aa, >5KE6_1|Chain... *
5ke9
RCSB PDB
PDBbind
93aa, >5KE9_1|Chain... at 98%
5keb
RCSB PDB
PDBbind
93aa, >5KEB_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ke8
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
mouse Krueppel-like factor 4, Klf4 ZnF (E446P mutant)
Ligand Name
10-mer 5mCpG DNA
EC.Number
E.C.-.-.-.-
Resolution
2.45(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3nM
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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