Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 13-OCT-14 4RKG TITLE STRUCTURE OF THE MSL2 CXC DOMAIN BOUND WITH A NON-SPECIFIC (GC)6 DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MSL-2; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: CXC DOMAIN (UNP RESIDUES 520-570); COMPND 5 SYNONYM: PROTEIN MALE-SPECIFIC LETHAL-2; COMPND 6 EC: 6.3.2.-; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'); COMPND 11 CHAIN: H, I; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 ORGANISM_TAXID: 7227; SOURCE 5 GENE: CG3241, MSL-2, MSL2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28A-SMT3; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES KEYWDS ZINC CLUSTER, DNA BINDING DOMAIN, DOSAGE COMPENSATION, DNA BINDING KEYWDS 2 PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.ZHENG,K.YE REVDAT 1 21-JAN-15 4RKG 0 JRNL AUTH S.ZHENG,R.VILLA,J.WANG,Y.FENG,J.WANG,P.B.BECKER,K.YE JRNL TITL STRUCTURAL BASIS OF X CHROMOSOME DNA RECOGNITION BY THE MSL2 JRNL TITL 2 CXC DOMAIN DURING DROSOPHILA DOSAGE COMPENSATION. JRNL REF GENES DEV. V. 28 2652 2014 JRNL REFN ISSN 0890-9369 JRNL PMID 25452275 JRNL DOI 10.1101/GAD.250936.114 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.9_1692) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18.02 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.4 REMARK 3 NUMBER OF REFLECTIONS : 8510 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.231 REMARK 3 R VALUE (WORKING SET) : 0.227 REMARK 3 FREE R VALUE : 0.315 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.770 REMARK 3 FREE R VALUE TEST SET COUNT : 406 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 18.0156 - 4.2598 0.96 1677 76 0.1987 0.2600 REMARK 3 2 4.2598 - 3.3885 1.00 1641 81 0.2251 0.3672 REMARK 3 3 3.3885 - 2.9623 0.97 1588 82 0.2569 0.3632 REMARK 3 4 2.9623 - 2.6924 1.00 1611 78 0.2993 0.3529 REMARK 3 5 2.6924 - 2.5000 0.99 1587 89 0.3337 0.3854 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.380 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 34.700 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 : 0.009 1170 REMARK 3 ANGLE : 1.053 1670 REMARK 3 CHIRALITY : 0.047 180 REMARK 3 PLANARITY : 0.006 131 REMARK 3 DIHEDRAL : 27.875 473 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: ALL REMARK 3 ORIGIN FOR THE GROUP (A): 17.3669 0.2768 18.9614 REMARK 3 T TENSOR REMARK 3 T11: 0.5916 T22: 0.6217 REMARK 3 T33: 0.5698 T12: -0.0366 REMARK 3 T13: 0.0123 T23: -0.0990 REMARK 3 L TENSOR REMARK 3 L11: 2.3185 L22: 3.7476 REMARK 3 L33: 4.0102 L12: -0.0199 REMARK 3 L13: -1.4830 L23: 2.0312 REMARK 3 S TENSOR REMARK 3 S11: 0.0033 S12: -0.3163 S13: 0.2756 REMARK 3 S21: 0.3565 S22: -0.2664 S23: 0.5830 REMARK 3 S31: 0.1285 S32: 0.2669 S33: 0.1835 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 4RKG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-OCT-14. REMARK 100 THE RCSB ID CODE IS RCSB087457. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-OCT-12 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97913 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8584 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 6.500 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.55 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 12.60 REMARK 200 R MERGE FOR SHELL (I) : 0.69900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL 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: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 61.34 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.18 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M HEPES-NA (PH 7.5), 25% PEG 3350, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.35250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.71800 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 37.62550 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.71800 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.35250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 37.62550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, H, I 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 SER A 519 REMARK 465 PRO A 520 REMARK 465 PRO A 521 REMARK 465 LYS A 522 REMARK 465 SER A 530 REMARK 465 GLY A 531 REMARK 465 SER A 532 REMARK 465 SER A 533 REMARK 465 ASN A 534 REMARK 465 THR A 535 REMARK 465 LEU A 536 REMARK 465 GLU A 567 REMARK 465 ASP A 568 REMARK 465 TYR A 569 REMARK 465 VAL A 570 REMARK 465 SER B 519 REMARK 465 PRO B 520 REMARK 465 PRO B 521 REMARK 465 ASP B 568 REMARK 465 TYR B 569 REMARK 465 VAL B 570 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O THR B 535 NZ LYS B 562 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DC H 10 O3' DC H 10 C3' -0.042 REMARK 500 DC I 8 O3' DC I 8 C3' -0.042 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG H 7 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 524 96.69 -168.33 REMARK 500 ARG A 526 39.00 -147.44 REMARK 500 CYS A 553 42.23 -103.32 REMARK 500 SER B 533 135.35 -173.21 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 703 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 525 SG REMARK 620 2 CYS A 556 SG 105.8 REMARK 620 3 CYS A 553 SG 113.6 112.7 REMARK 620 4 CYS A 546 SG 107.1 98.1 117.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 701 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 527 SG REMARK 620 2 CYS B 544 SG 114.9 REMARK 620 3 CYS B 539 SG 103.5 112.9 REMARK 620 4 CYS B 525 SG 105.8 119.4 97.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 702 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 539 SG REMARK 620 2 CYS A 561 SG 112.9 REMARK 620 3 CYS A 553 SG 110.1 104.2 REMARK 620 4 CYS A 558 SG 112.5 113.5 102.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 703 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 546 SG REMARK 620 2 CYS B 525 SG 116.7 REMARK 620 3 CYS B 556 SG 91.8 102.6 REMARK 620 4 CYS B 553 SG 116.9 108.0 119.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 702 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 539 SG REMARK 620 2 CYS B 558 SG 110.0 REMARK 620 3 CYS B 553 SG 113.5 113.3 REMARK 620 4 CYS B 561 SG 114.6 108.2 96.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 701 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 525 SG REMARK 620 2 CYS A 544 SG 114.5 REMARK 620 3 CYS A 527 SG 113.1 109.8 REMARK 620 4 CYS A 539 SG 103.3 111.9 103.5 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 701 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 702 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 703 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 701 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 702 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 703 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 702 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 703 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4RKH RELATED DB: PDB DBREF 4RKG A 520 570 UNP P50534 MSL2_DROME 520 570 DBREF 4RKG B 520 570 UNP P50534 MSL2_DROME 520 570 DBREF 4RKG H 1 12 PDB 4RKG 4RKG 1 12 DBREF 4RKG I 1 12 PDB 4RKG 4RKG 1 12 SEQADV 4RKG SER A 519 UNP P50534 EXPRESSION TAG SEQADV 4RKG GLY A 560 UNP P50534 CYS 560 ENGINEERED MUTATION SEQADV 4RKG SER B 519 UNP P50534 EXPRESSION TAG SEQADV 4RKG GLY B 560 UNP P50534 CYS 560 ENGINEERED MUTATION SEQRES 1 A 52 SER PRO PRO LYS PRO LYS CYS ARG CYS GLY ILE SER GLY SEQRES 2 A 52 SER SER ASN THR LEU THR THR CYS ARG ASN SER ARG CYS SEQRES 3 A 52 PRO CYS TYR LYS SER TYR ASN SER CYS ALA GLY CYS HIS SEQRES 4 A 52 CYS VAL GLY CYS LYS ASN PRO HIS LYS GLU ASP TYR VAL SEQRES 1 B 52 SER PRO PRO LYS PRO LYS CYS ARG CYS GLY ILE SER GLY SEQRES 2 B 52 SER SER ASN THR LEU THR THR CYS ARG ASN SER ARG CYS SEQRES 3 B 52 PRO CYS TYR LYS SER TYR ASN SER CYS ALA GLY CYS HIS SEQRES 4 B 52 CYS VAL GLY CYS LYS ASN PRO HIS LYS GLU ASP TYR VAL SEQRES 1 H 12 DG DC DG DC DG DC DG DC DG DC DG DC SEQRES 1 I 12 DG DC DG DC DG DC DG DC DG DC DG DC HET ZN A 701 1 HET ZN A 702 1 HET ZN A 703 1 HET ZN B 701 1 HET ZN B 702 1 HET ZN B 703 1 HET ZN H 701 1 HET ZN H 702 1 HET ZN H 703 1 HETNAM ZN ZINC ION FORMUL 5 ZN 9(ZN 2+) HELIX 1 1 CYS A 544 SER A 549 1 6 HELIX 2 2 CYS B 544 SER B 549 1 6 LINK SG CYS A 525 ZN ZN A 703 1555 1555 2.08 LINK SG CYS A 556 ZN ZN A 703 1555 1555 2.19 LINK SG CYS B 527 ZN ZN B 701 1555 1555 2.20 LINK SG CYS A 539 ZN ZN A 702 1555 1555 2.22 LINK SG CYS A 553 ZN ZN A 703 1555 1555 2.25 LINK SG CYS A 561 ZN ZN A 702 1555 1555 2.25 LINK SG CYS B 546 ZN ZN B 703 1555 1555 2.26 LINK SG CYS B 525 ZN ZN B 703 1555 1555 2.28 LINK SG CYS B 539 ZN ZN B 702 1555 1555 2.28 LINK SG CYS B 558 ZN ZN B 702 1555 1555 2.28 LINK SG CYS A 525 ZN ZN A 701 1555 1555 2.28 LINK SG CYS B 544 ZN ZN B 701 1555 1555 2.32 LINK SG CYS A 544 ZN ZN A 701 1555 1555 2.34 LINK SG CYS B 556 ZN ZN B 703 1555 1555 2.35 LINK SG CYS B 553 ZN ZN B 702 1555 1555 2.35 LINK SG CYS A 527 ZN ZN A 701 1555 1555 2.36 LINK SG CYS A 539 ZN ZN A 701 1555 1555 2.36 LINK SG CYS B 539 ZN ZN B 701 1555 1555 2.37 LINK SG CYS A 546 ZN ZN A 703 1555 1555 2.38 LINK SG CYS B 561 ZN ZN B 702 1555 1555 2.38 LINK SG CYS B 553 ZN ZN B 703 1555 1555 2.39 LINK SG CYS A 553 ZN ZN A 702 1555 1555 2.41 LINK SG CYS B 525 ZN ZN B 701 1555 1555 2.43 LINK SG CYS A 558 ZN ZN A 702 1555 1555 2.56 SITE 1 AC1 5 CYS A 525 CYS A 527 CYS A 539 CYS A 544 SITE 2 AC1 5 ZN A 703 SITE 1 AC2 4 CYS A 539 CYS A 553 CYS A 558 CYS A 561 SITE 1 AC3 5 CYS A 525 CYS A 546 CYS A 553 CYS A 556 SITE 2 AC3 5 ZN A 701 SITE 1 AC4 5 CYS B 525 CYS B 527 CYS B 539 CYS B 544 SITE 2 AC4 5 ZN B 703 SITE 1 AC5 5 CYS B 525 CYS B 539 CYS B 553 CYS B 558 SITE 2 AC5 5 CYS B 561 SITE 1 AC6 5 CYS B 525 CYS B 546 CYS B 553 CYS B 556 SITE 2 AC6 5 ZN B 701 SITE 1 AC7 1 ZN H 703 SITE 1 AC8 1 ZN H 702 CRYST1 40.705 75.251 77.436 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.024567 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013289 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012914 0.00000 ATOM 1 N PRO A 523 15.532 2.330 36.680 1.00112.96 N ANISOU 1 N PRO A 523 16348 15101 11471 -1638 2311 -2384 N ATOM 2 CA PRO A 523 15.247 2.574 35.254 1.00110.85 C ANISOU 2 CA PRO A 523 15730 14694 11696 -1595 2194 -2364 C ATOM 3 C PRO A 523 16.084 3.747 34.715 1.00124.41 C ANISOU 3 C PRO A 523 17165 16568 13537 -1601 1902 -2433 C ATOM 4 O PRO A 523 16.737 4.412 35.527 1.00136.15 O ANISOU 4 O PRO A 523 18706 18256 14769 -1678 1836 -2547 O ATOM 5 CB PRO A 523 13.737 2.882 35.236 1.00 98.98 C ANISOU 5 CB PRO A 523 14120 12888 10599 -1761 2530 -2587 C ATOM 6 CG PRO A 523 13.376 3.216 36.698 1.00101.75 C ANISOU 6 CG PRO A 523 14710 13248 10701 -1939 2814 -2783 C ATOM 7 CD PRO A 523 14.331 2.428 37.535 1.00106.10 C ANISOU 7 CD PRO A 523 15630 14023 10658 -1837 2726 -2589 C ATOM 8 N LYS A 524 16.072 3.981 33.396 1.00114.54 N ANISOU 8 N LYS A 524 15645 15228 12648 -1533 1747 -2374 N ATOM 9 CA LYS A 524 16.912 5.009 32.740 1.00112.92 C ANISOU 9 CA LYS A 524 15206 15137 12560 -1541 1494 -2408 C ATOM 10 C LYS A 524 16.506 5.273 31.272 1.00102.84 C ANISOU 10 C LYS A 524 13685 13667 11725 -1479 1406 -2356 C ATOM 11 O LYS A 524 16.957 4.552 30.380 1.00 91.84 O ANISOU 11 O LYS A 524 12253 12320 10323 -1332 1239 -2151 O ATOM 12 CB LYS A 524 18.394 4.593 32.782 1.00113.14 C ANISOU 12 CB LYS A 524 15279 15495 12215 -1419 1216 -2247 C ATOM 13 CG LYS A 524 19.230 5.229 33.888 1.00122.88 C ANISOU 13 CG LYS A 524 16578 17004 13107 -1519 1147 -2396 C ATOM 14 CD LYS A 524 20.601 4.556 34.014 1.00124.18 C ANISOU 14 CD LYS A 524 16785 17523 12876 -1347 868 -2236 C ATOM 15 CE LYS A 524 20.574 3.399 35.009 1.00123.07 C ANISOU 15 CE LYS A 524 16985 17470 12306 -1210 930 -2104 C ATOM 16 NZ LYS A 524 20.208 3.854 36.390 1.00126.03 N ANISOU 16 NZ LYS A 524 17565 17886 12436 -1371 1109 -2302 N ATOM 17 N CYS A 525 15.696 6.311 31.022 1.00 99.79 N ANISOU 17 N CYS A 525 13147 13068 11702 -1574 1508 -2542 N ATOM 18 CA CYS A 525 15.103 6.537 29.693 1.00 86.74 C ANISOU 18 CA CYS A 525 11294 11209 10456 -1487 1435 -2502 C ATOM 19 C CYS A 525 16.040 7.209 28.685 1.00 77.17 C ANISOU 19 C CYS A 525 9962 10054 9307 -1443 1184 -2408 C ATOM 20 O CYS A 525 17.206 7.512 28.977 1.00 70.50 O ANISOU 20 O CYS A 525 9147 9423 8218 -1495 1067 -2393 O ATOM 21 CB CYS A 525 13.790 7.349 29.793 1.00 94.18 C ANISOU 21 CB CYS A 525 12122 11887 11775 -1555 1634 -2735 C ATOM 22 SG CYS A 525 13.808 9.054 30.432 1.00 86.60 S ANISOU 22 SG CYS A 525 11126 10846 10930 -1713 1728 -3001 S ATOM 23 N ARG A 526 15.527 7.395 27.473 1.00 79.10 N ANISOU 23 N ARG A 526 10070 10115 9870 -1346 1104 -2351 N ATOM 24 CA ARG A 526 16.282 8.017 26.399 1.00 73.20 C ANISOU 24 CA ARG A 526 9246 9370 9199 -1305 903 -2251 C ATOM 25 C ARG A 526 15.342 8.816 25.478 1.00 86.65 C ANISOU 25 C ARG A 526 10838 10786 11298 -1235 894 -2301 C ATOM 26 O ARG A 526 15.507 8.828 24.252 1.00104.64 O ANISOU 26 O ARG A 526 13071 13007 13680 -1125 731 -2157 O ATOM 27 CB ARG A 526 17.073 6.952 25.625 1.00 66.29 C ANISOU 27 CB ARG A 526 8381 8657 8150 -1184 725 -2012 C ATOM 28 CG ARG A 526 18.484 6.749 26.163 1.00 66.09 C ANISOU 28 CG ARG A 526 8411 8933 7767 -1228 632 -1960 C ATOM 29 CD ARG A 526 19.180 5.548 25.503 1.00 83.33 C ANISOU 29 CD ARG A 526 10607 11270 9783 -1076 484 -1736 C ATOM 30 NE ARG A 526 19.317 5.712 24.057 1.00 83.17 N ANISOU 30 NE ARG A 526 10495 11155 9951 -1007 358 -1623 N ATOM 31 CZ ARG A 526 18.976 4.794 23.159 1.00 76.44 C ANISOU 31 CZ ARG A 526 9640 10236 9168 -870 304 -1476 C ATOM 32 NH1 ARG A 526 19.127 5.042 21.859 1.00 64.76 N ANISOU 32 NH1 ARG A 526 8099 8678 7828 -818 188 -1385 N ATOM 33 NH2 ARG A 526 18.479 3.632 23.555 1.00 80.61 N ANISOU 33 NH2 ARG A 526 10251 10764 9614 -796 384 -1427 N ATOM 34 N CYS A 527 14.363 9.484 26.090 1.00 76.67 N ANISOU 34 N CYS A 527 9542 9349 10242 -1286 1070 -2512 N ATOM 35 CA CYS A 527 13.434 10.378 25.397 1.00 81.94 C ANISOU 35 CA CYS A 527 10104 9740 11288 -1190 1065 -2594 C ATOM 36 C CYS A 527 14.119 11.667 24.957 1.00 84.23 C ANISOU 36 C CYS A 527 10445 9927 11631 -1227 994 -2587 C ATOM 37 O CYS A 527 14.818 12.279 25.745 1.00 89.70 O ANISOU 37 O CYS A 527 11215 10693 12175 -1400 1081 -2690 O ATOM 38 CB CYS A 527 12.240 10.742 26.303 1.00 77.36 C ANISOU 38 CB CYS A 527 9464 9013 10916 -1236 1302 -2855 C ATOM 39 SG CYS A 527 11.554 9.391 27.304 1.00 83.37 S ANISOU 39 SG CYS A 527 10239 9888 11549 -1306 1517 -2935 S ATOM 40 N GLY A 528 13.914 12.083 23.710 1.00 75.82 N ANISOU 40 N GLY A 528 9356 8689 10764 -1073 847 -2474 N ATOM 41 CA GLY A 528 14.323 13.405 23.280 1.00 75.08 C ANISOU 41 CA GLY A 528 9352 8407 10769 -1098 834 -2480 C ATOM 42 C GLY A 528 15.469 13.541 22.290 1.00 87.85 C ANISOU 42 C GLY A 528 11065 10073 12241 -1114 687 -2278 C ATOM 43 O GLY A 528 15.864 14.665 22.003 1.00 88.79 O ANISOU 43 O GLY A 528 11295 10017 12425 -1175 725 -2295 O ATOM 44 N ILE A 529 16.018 12.443 21.768 1.00 86.70 N ANISOU 44 N ILE A 529 10894 10144 11906 -1072 549 -2099 N ATOM 45 CA ILE A 529 16.893 12.576 20.591 1.00 91.63 C ANISOU 45 CA ILE A 529 11599 10769 12449 -1050 416 -1908 C ATOM 46 C ILE A 529 16.120 12.288 19.295 1.00 89.77 C ANISOU 46 C ILE A 529 11360 10381 12369 -807 253 -1755 C ATOM 47 O ILE A 529 15.778 13.216 18.545 1.00 94.31 O ANISOU 47 O ILE A 529 12031 10694 13108 -705 215 -1716 O ATOM 48 CB ILE A 529 18.123 11.656 20.650 1.00 91.84 C ANISOU 48 CB ILE A 529 11602 11122 12170 -1143 354 -1808 C ATOM 49 CG1 ILE A 529 18.011 10.663 21.810 1.00 88.60 C ANISOU 49 CG1 ILE A 529 11120 10941 11604 -1173 408 -1883 C ATOM 50 CG2 ILE A 529 19.397 12.491 20.757 1.00101.13 C ANISOU 50 CG2 ILE A 529 12837 12368 13220 -1353 410 -1856 C ATOM 51 CD1 ILE A 529 18.621 11.159 23.117 1.00 71.74 C ANISOU 51 CD1 ILE A 529 8997 8949 9313 -1378 532 -2066 C ATOM 52 N THR A 537 6.144 17.820 26.752 1.00110.42 N ANISOU 52 N THR A 537 13069 11418 17466 -551 1980 -4220 N ATOM 53 CA THR A 537 5.678 16.440 26.909 1.00127.99 C ANISOU 53 CA THR A 537 15114 13892 19624 -599 1990 -4238 C ATOM 54 C THR A 537 6.803 15.379 26.979 1.00123.15 C ANISOU 54 C THR A 537 14658 13570 18565 -802 1914 -4005 C ATOM 55 O THR A 537 6.563 14.255 27.427 1.00129.88 O ANISOU 55 O THR A 537 15444 14611 19295 -910 2008 -4037 O ATOM 56 CB THR A 537 4.703 16.052 25.769 1.00129.26 C ANISOU 56 CB THR A 537 15017 14017 20077 -281 1754 -4202 C ATOM 57 OG1 THR A 537 5.433 15.727 24.574 1.00116.11 O ANISOU 57 OG1 THR A 537 13460 12418 18238 -170 1433 -3872 O ATOM 58 CG2 THR A 537 3.740 17.200 25.494 1.00133.06 C ANISOU 58 CG2 THR A 537 15361 14208 20987 2 1745 -4380 C ATOM 59 N THR A 538 8.016 15.726 26.546 1.00110.56 N ANISOU 59 N THR A 538 13273 12000 16737 -853 1763 -3783 N ATOM 60 CA THR A 538 9.162 14.828 26.710 1.00 93.47 C ANISOU 60 CA THR A 538 11243 10119 14155 -1034 1699 -3594 C ATOM 61 C THR A 538 9.346 14.415 28.165 1.00 92.52 C ANISOU 61 C THR A 538 11193 10171 13790 -1292 1954 -3755 C ATOM 62 O THR A 538 9.533 15.262 29.049 1.00104.91 O ANISOU 62 O THR A 538 12855 11677 15327 -1447 2138 -3939 O ATOM 63 CB THR A 538 10.476 15.457 26.227 1.00 96.81 C ANISOU 63 CB THR A 538 11857 10543 14382 -1097 1561 -3411 C ATOM 64 OG1 THR A 538 10.487 15.521 24.798 1.00 94.60 O ANISOU 64 OG1 THR A 538 11569 10160 14216 -873 1307 -3193 O ATOM 65 CG2 THR A 538 11.654 14.617 26.689 1.00 86.09 C ANISOU 65 CG2 THR A 538 10603 9506 12601 -1296 1534 -3293 C ATOM 66 N CYS A 539 9.284 13.107 28.395 1.00 82.31 N ANISOU 66 N CYS A 539 9882 9082 12311 -1336 1969 -3685 N ATOM 67 CA CYS A 539 9.282 12.531 29.737 1.00 91.07 C ANISOU 67 CA CYS A 539 11089 10341 13173 -1544 2219 -3816 C ATOM 68 C CYS A 539 8.102 13.061 30.548 1.00101.96 C ANISOU 68 C CYS A 539 12370 11549 14822 -1593 2521 -4145 C ATOM 69 O CYS A 539 8.123 13.046 31.776 1.00103.81 O ANISOU 69 O CYS A 539 12726 11851 14867 -1792 2772 -4309 O ATOM 70 CB CYS A 539 10.587 12.816 30.479 1.00 74.48 C ANISOU 70 CB CYS A 539 9203 8418 10677 -1734 2215 -3778 C ATOM 71 SG CYS A 539 12.083 12.176 29.693 1.00 73.44 S ANISOU 71 SG CYS A 539 9162 8532 10209 -1697 1894 -3438 S ATOM 72 N ARG A 540 7.070 13.531 29.857 1.00 94.48 N ANISOU 72 N ARG A 540 11199 10389 14310 -1400 2492 -4250 N ATOM 73 CA ARG A 540 5.854 13.948 30.537 1.00106.44 C ANISOU 73 CA ARG A 540 12562 11748 16134 -1415 2779 -4584 C ATOM 74 C ARG A 540 4.674 13.154 29.992 1.00112.65 C ANISOU 74 C ARG A 540 13072 12518 17214 -1274 2779 -4658 C ATOM 75 O ARG A 540 3.586 13.686 29.833 1.00118.02 O ANISOU 75 O ARG A 540 13506 13031 18304 -1133 2849 -4887 O ATOM 76 CB ARG A 540 5.610 15.452 30.375 1.00106.94 C ANISOU 76 CB ARG A 540 12582 11547 16502 -1299 2785 -4728 C ATOM 77 CG ARG A 540 4.682 16.026 31.430 1.00105.78 C ANISOU 77 CG ARG A 540 12353 11264 16576 -1387 3145 -5102 C ATOM 78 CD ARG A 540 4.168 17.393 31.058 1.00110.47 C ANISOU 78 CD ARG A 540 12850 11552 17571 -1184 3135 -5246 C ATOM 79 NE ARG A 540 3.529 18.017 32.206 1.00134.71 N ANISOU 79 NE ARG A 540 15895 14500 20786 -1313 3508 -5609 N ATOM 80 CZ ARG A 540 4.180 18.723 33.124 1.00137.27 C ANISOU 80 CZ ARG A 540 16455 14799 20903 -1540 3694 -5714 C ATOM 81 NH1 ARG A 540 5.489 18.905 33.020 1.00131.71 N ANISOU 81 NH1 ARG A 540 16000 14188 19857 -1663 3537 -5505 N ATOM 82 NH2 ARG A 540 3.523 19.255 34.144 1.00146.34 N ANISOU 82 NH2 ARG A 540 17551 15920 22133 -1644 3973 -5907 N ATOM 83 N ASN A 541 4.900 11.880 29.687 1.00110.73 N ANISOU 83 N ASN A 541 12855 12450 16765 -1307 2696 -4477 N ATOM 84 CA ASN A 541 3.854 11.041 29.113 1.00109.21 C ANISOU 84 CA ASN A 541 12401 12263 16833 -1208 2691 -4557 C ATOM 85 C ASN A 541 4.102 9.553 29.349 1.00113.55 C ANISOU 85 C ASN A 541 13075 12986 17083 -1363 2779 -4432 C ATOM 86 O ASN A 541 5.175 9.151 29.814 1.00112.08 O ANISOU 86 O ASN A 541 13182 12931 16471 -1489 2774 -4232 O ATOM 87 CB ASN A 541 3.717 11.304 27.612 1.00100.07 C ANISOU 87 CB ASN A 541 11065 11046 15911 -912 2313 -4416 C ATOM 88 CG ASN A 541 4.935 10.852 26.828 1.00104.22 C ANISOU 88 CG ASN A 541 11792 11697 16111 -879 2020 -4045 C ATOM 89 OD1 ASN A 541 5.262 9.665 26.792 1.00102.91 O ANISOU 89 OD1 ASN A 541 11703 11687 15712 -970 2020 -3910 O ATOM 90 ND2 ASN A 541 5.603 11.798 26.176 1.00 91.96 N ANISOU 90 ND2 ASN A 541 10333 10058 14550 -748 1792 -3886 N ATOM 91 N SER A 542 3.113 8.744 28.980 1.00122.14 N ANISOU 91 N SER A 542 13933 14074 18402 -1338 2848 -4559 N ATOM 92 CA SER A 542 3.144 7.298 29.201 1.00121.39 C ANISOU 92 CA SER A 542 13953 14087 18081 -1494 2994 -4484 C ATOM 93 C SER A 542 4.251 6.595 28.421 1.00108.91 C ANISOU 93 C SER A 542 12559 12632 16190 -1420 2695 -4110 C ATOM 94 O SER A 542 4.718 5.527 28.824 1.00106.65 O ANISOU 94 O SER A 542 12507 12434 15583 -1547 2810 -3971 O ATOM 95 CB SER A 542 1.796 6.683 28.828 1.00122.25 C ANISOU 95 CB SER A 542 13726 14156 18567 -1490 3123 -4744 C ATOM 96 OG SER A 542 1.496 6.949 27.470 1.00125.19 O ANISOU 96 OG SER A 542 13821 14523 19224 -1227 2758 -4707 O ATOM 97 N ARG A 543 4.669 7.188 27.308 1.00 96.86 N ANISOU 97 N ARG A 543 10949 11099 14753 -1206 2328 -3948 N ATOM 98 CA ARG A 543 5.685 6.561 26.476 1.00105.10 C ANISOU 98 CA ARG A 543 12140 12259 15535 -1131 2053 -3619 C ATOM 99 C ARG A 543 7.051 6.614 27.160 1.00108.46 C ANISOU 99 C ARG A 543 12892 12796 15522 -1234 2051 -3412 C ATOM 100 O ARG A 543 7.980 5.930 26.747 1.00113.75 O ANISOU 100 O ARG A 543 13711 13588 15919 -1206 1890 -3156 O ATOM 101 CB ARG A 543 5.736 7.228 25.101 1.00104.97 C ANISOU 101 CB ARG A 543 11971 12195 15719 -885 1687 -3513 C ATOM 102 CG ARG A 543 4.427 7.131 24.335 1.00115.10 C ANISOU 102 CG ARG A 543 12911 13412 17409 -740 1619 -3714 C ATOM 103 CD ARG A 543 4.424 5.935 23.393 1.00126.61 C ANISOU 103 CD ARG A 543 14324 14972 18811 -701 1467 -3591 C ATOM 104 NE ARG A 543 5.469 6.062 22.371 1.00127.43 N ANISOU 104 NE ARG A 543 14575 15126 18716 -562 1135 -3275 N ATOM 105 CZ ARG A 543 6.641 5.433 22.405 1.00106.51 C ANISOU 105 CZ ARG A 543 12184 12584 15701 -641 1105 -3017 C ATOM 106 NH1 ARG A 543 7.524 5.627 21.433 1.00107.44 N ANISOU 106 NH1 ARG A 543 12401 12742 15679 -519 825 -2767 N ATOM 107 NH2 ARG A 543 6.927 4.611 23.406 1.00 95.13 N ANISOU 107 NH2 ARG A 543 10910 11205 14029 -832 1362 -3011 N ATOM 108 N CYS A 544 7.162 7.424 28.210 1.00107.54 N ANISOU 108 N CYS A 544 12868 12650 15342 -1350 2228 -3548 N ATOM 109 CA CYS A 544 8.365 7.462 29.039 1.00103.91 C ANISOU 109 CA CYS A 544 12694 12331 14455 -1469 2247 -3418 C ATOM 110 C CYS A 544 8.160 6.585 30.270 1.00 99.07 C ANISOU 110 C CYS A 544 12275 11777 13592 -1648 2565 -3493 C ATOM 111 O CYS A 544 7.159 6.727 30.965 1.00109.65 O ANISOU 111 O CYS A 544 13549 13009 15105 -1755 2861 -3753 O ATOM 112 CB CYS A 544 8.700 8.910 29.446 1.00 99.71 C ANISOU 112 CB CYS A 544 12179 11740 13967 -1507 2243 -3532 C ATOM 113 SG CYS A 544 9.938 9.110 30.777 1.00 99.27 S ANISOU 113 SG CYS A 544 12427 11878 13413 -1705 2329 -3509 S ATOM 114 N PRO A 545 9.094 5.660 30.523 1.00 93.16 N ANISOU 114 N PRO A 545 11775 11191 12432 -1668 2513 -3264 N ATOM 115 CA PRO A 545 9.062 4.721 31.649 1.00 91.08 C ANISOU 115 CA PRO A 545 11783 10978 11844 -1803 2789 -3265 C ATOM 116 C PRO A 545 8.982 5.374 33.008 1.00 95.00 C ANISOU 116 C PRO A 545 12428 11484 12184 -1971 3036 -3462 C ATOM 117 O PRO A 545 8.053 5.098 33.772 1.00114.20 O ANISOU 117 O PRO A 545 14911 13811 14669 -2111 3388 -3659 O ATOM 118 CB PRO A 545 10.387 3.959 31.518 1.00 95.65 C ANISOU 118 CB PRO A 545 12589 11752 12003 -1713 2568 -2949 C ATOM 119 CG PRO A 545 11.156 4.651 30.450 1.00 97.96 C ANISOU 119 CG PRO A 545 12712 12109 12399 -1579 2210 -2825 C ATOM 120 CD PRO A 545 10.161 5.321 29.576 1.00 94.15 C ANISOU 120 CD PRO A 545 11929 11441 12402 -1527 2182 -2975 C ATOM 121 N CYS A 546 9.960 6.212 33.307 1.00 89.43 N ANISOU 121 N CYS A 546 11793 10907 11278 -1977 2869 -3428 N ATOM 122 CA CYS A 546 10.053 6.893 34.596 1.00100.42 C ANISOU 122 CA CYS A 546 13344 12342 12470 -2143 3066 -3619 C ATOM 123 C CYS A 546 8.772 7.656 34.941 1.00107.54 C ANISOU 123 C CYS A 546 14075 13026 13757 -2247 3363 -3955 C ATOM 124 O CYS A 546 8.258 7.559 36.063 1.00110.42 O ANISOU 124 O CYS A 546 14595 13361 13998 -2413 3699 -4140 O ATOM 125 CB CYS A 546 11.247 7.842 34.575 1.00111.39 C ANISOU 125 CB CYS A 546 14740 13886 13697 -2135 2805 -3575 C ATOM 126 SG CYS A 546 12.503 7.400 33.332 1.00137.69 S ANISOU 126 SG CYS A 546 18015 17386 16917 -1943 2371 -3232 S ATOM 127 N TYR A 547 8.262 8.406 33.966 1.00 99.04 N ANISOU 127 N TYR A 547 12691 11798 13141 -2134 3240 -4034 N ATOM 128 CA TYR A 547 6.975 9.080 34.110 1.00102.63 C ANISOU 128 CA TYR A 547 12924 12040 14030 -2167 3485 -4352 C ATOM 129 C TYR A 547 5.912 8.063 34.492 1.00108.69 C ANISOU 129 C TYR A 547 13678 12745 14874 -2260 3808 -4477 C ATOM 130 O TYR A 547 5.286 8.165 35.540 1.00111.99 O ANISOU 130 O TYR A 547 14171 13103 15276 -2434 4174 -4723 O ATOM 131 CB TYR A 547 6.582 9.787 32.810 1.00109.47 C ANISOU 131 CB TYR A 547 13473 12764 15358 -1958 3243 -4355 C ATOM 132 CG TYR A 547 5.570 10.905 32.972 1.00132.39 C ANISOU 132 CG TYR A 547 16157 15454 18689 -1937 3413 -4677 C ATOM 133 CD1 TYR A 547 5.923 12.112 33.567 1.00139.70 C ANISOU 133 CD1 TYR A 547 17169 16319 19592 -2009 3477 -4812 C ATOM 134 CD2 TYR A 547 4.267 10.764 32.516 1.00142.55 C ANISOU 134 CD2 TYR A 547 17139 16607 20416 -1838 3507 -4866 C ATOM 135 CE1 TYR A 547 5.008 13.138 33.713 1.00142.08 C ANISOU 135 CE1 TYR A 547 17285 16403 20295 -1967 3643 -5107 C ATOM 136 CE2 TYR A 547 3.343 11.793 32.655 1.00146.64 C ANISOU 136 CE2 TYR A 547 17436 16937 21345 -1778 3649 -5170 C ATOM 137 CZ TYR A 547 3.722 12.977 33.251 1.00149.27 C ANISOU 137 CZ TYR A 547 17885 17184 21645 -1833 3721 -5278 C ATOM 138 OH TYR A 547 2.814 14.006 33.394 1.00156.75 O ANISOU 138 OH TYR A 547 18629 17920 23009 -1753 3875 -5581 O ATOM 139 N LYS A 548 5.746 7.065 33.630 1.00110.34 N ANISOU 139 N LYS A 548 13805 12964 15154 -2161 3691 -4316 N ATOM 140 CA LYS A 548 4.753 6.018 33.817 1.00114.11 C ANISOU 140 CA LYS A 548 14251 13369 15735 -2263 3994 -4435 C ATOM 141 C LYS A 548 4.899 5.338 35.174 1.00114.55 C ANISOU 141 C LYS A 548 14696 13466 15362 -2479 4347 -4445 C ATOM 142 O LYS A 548 3.919 5.169 35.894 1.00121.28 O ANISOU 142 O LYS A 548 15543 14210 16330 -2655 4756 -4710 O ATOM 143 CB LYS A 548 4.858 4.985 32.694 1.00108.23 C ANISOU 143 CB LYS A 548 13435 12657 15030 -2137 3778 -4215 C ATOM 144 CG LYS A 548 3.857 3.857 32.808 1.00114.87 C ANISOU 144 CG LYS A 548 14242 13412 15991 -2267 4101 -4352 C ATOM 145 CD LYS A 548 3.821 3.006 31.542 1.00121.28 C ANISOU 145 CD LYS A 548 14908 14239 16935 -2138 3870 -4198 C ATOM 146 CE LYS A 548 2.712 1.961 31.625 1.00125.92 C ANISOU 146 CE LYS A 548 15413 14724 17706 -2303 4224 -4403 C ATOM 147 NZ LYS A 548 2.646 1.087 30.421 1.00125.84 N ANISOU 147 NZ LYS A 548 15266 14730 17817 -2206 4022 -4288 N ATOM 148 N SER A 549 6.123 4.968 35.536 1.00109.12 N ANISOU 148 N SER A 549 14351 12941 14170 -2460 4192 -4167 N ATOM 149 CA SER A 549 6.356 4.325 36.824 1.00103.54 C ANISOU 149 CA SER A 549 14069 12285 12986 -2622 4481 -4138 C ATOM 150 C SER A 549 6.338 5.330 37.972 1.00105.02 C ANISOU 150 C SER A 549 14362 12491 13049 -2772 4672 -4369 C ATOM 151 O SER A 549 6.653 4.988 39.108 1.00110.09 O ANISOU 151 O SER A 549 15386 13207 13237 -2897 4872 -4349 O ATOM 152 CB SER A 549 7.686 3.590 36.817 1.00 97.24 C ANISOU 152 CB SER A 549 13585 11676 11684 -2504 4213 -3769 C ATOM 153 OG SER A 549 8.743 4.507 36.615 1.00 99.02 O ANISOU 153 OG SER A 549 13749 12070 11804 -2402 3852 -3683 O ATOM 154 N TYR A 550 5.988 6.572 37.658 1.00110.42 N ANISOU 154 N TYR A 550 14731 13102 14121 -2747 4605 -4584 N ATOM 155 CA TYR A 550 5.970 7.647 38.640 1.00121.87 C ANISOU 155 CA TYR A 550 16248 14548 15507 -2885 4777 -4831 C ATOM 156 C TYR A 550 7.332 7.840 39.300 1.00115.71 C ANISOU 156 C TYR A 550 15790 14000 14176 -2906 4583 -4667 C ATOM 157 O TYR A 550 7.416 8.023 40.516 1.00116.87 O ANISOU 157 O TYR A 550 16204 14206 13995 -3076 4816 -4804 O ATOM 158 CB TYR A 550 4.909 7.382 39.715 1.00136.46 C ANISOU 158 CB TYR A 550 18191 16282 17374 -3102 5255 -5051 C ATOM 159 CG TYR A 550 3.535 7.018 39.181 1.00138.70 C ANISOU 159 CG TYR A 550 18133 16383 18183 -3109 5435 -5186 C ATOM 160 CD1 TYR A 550 2.809 7.914 38.400 1.00130.73 C ANISOU 160 CD1 TYR A 550 16667 15259 17746 -2991 5341 -5382 C ATOM 161 CD2 TYR A 550 2.953 5.787 39.480 1.00137.31 C ANISOU 161 CD2 TYR A 550 18093 16149 17927 -3235 5694 -5123 C ATOM 162 CE1 TYR A 550 1.551 7.587 37.919 1.00129.21 C ANISOU 162 CE1 TYR A 550 16123 14948 18023 -2988 5469 -5528 C ATOM 163 CE2 TYR A 550 1.696 5.456 39.004 1.00136.59 C ANISOU 163 CE2 TYR A 550 17657 15918 18322 -3277 5855 -5285 C ATOM 164 CZ TYR A 550 0.999 6.362 38.228 1.00135.82 C ANISOU 164 CZ TYR A 550 17067 15757 18780 -3150 5729 -5496 C ATOM 165 OH TYR A 550 -0.250 6.043 37.750 1.00145.44 O ANISOU 165 OH TYR A 550 17907 16880 20474 -3181 5852 -5680 O ATOM 166 N ASN A 551 8.397 7.785 38.506 1.00110.25 N ANISOU 166 N ASN A 551 15063 13454 13371 -2739 4160 -4393 N ATOM 167 CA ASN A 551 9.724 8.126 39.016 1.00106.92 C ANISOU 167 CA ASN A 551 14849 13282 12496 -2750 3930 -4287 C ATOM 168 C ASN A 551 10.339 9.262 38.219 1.00101.41 C ANISOU 168 C ASN A 551 13901 12601 12031 -2674 3621 -4296 C ATOM 169 O ASN A 551 9.880 9.570 37.122 1.00105.80 O ANISOU 169 O ASN A 551 14171 12991 13037 -2556 3517 -4285 O ATOM 170 CB ASN A 551 10.647 6.912 38.997 1.00102.16 C ANISOU 170 CB ASN A 551 14497 12884 11435 -2634 3731 -3950 C ATOM 171 CG ASN A 551 10.043 5.729 39.692 1.00112.99 C ANISOU 171 CG ASN A 551 16167 14188 12576 -2696 4054 -3905 C ATOM 172 OD1 ASN A 551 9.508 4.826 39.044 1.00100.05 O ANISOU 172 OD1 ASN A 551 14476 12418 11121 -2628 4117 -3790 O ATOM 173 ND2 ASN A 551 10.092 5.732 41.026 1.00122.13 N ANISOU 173 ND2 ASN A 551 17659 15421 13323 -2845 4287 -4013 N ATOM 174 N SER A 552 11.367 9.890 38.785 1.00 98.25 N ANISOU 174 N SER A 552 13619 12399 11311 -2750 3484 -4329 N ATOM 175 CA SER A 552 12.064 11.003 38.134 1.00 96.12 C ANISOU 175 CA SER A 552 13160 12143 11217 -2728 3233 -4357 C ATOM 176 C SER A 552 13.059 10.495 37.094 1.00106.56 C ANISOU 176 C SER A 552 14409 13620 12460 -2555 2852 -4044 C ATOM 177 O SER A 552 13.201 9.289 36.893 1.00108.39 O ANISOU 177 O SER A 552 14733 13943 12506 -2438 2776 -3810 O ATOM 178 CB SER A 552 12.791 11.855 39.171 1.00 97.07 C ANISOU 178 CB SER A 552 13422 12433 11028 -2917 3258 -4561 C ATOM 179 OG SER A 552 13.850 11.124 39.766 1.00104.76 O ANISOU 179 OG SER A 552 14618 13747 11438 -2910 3084 -4408 O ATOM 180 N CYS A 553 13.750 11.413 36.429 1.00116.64 N ANISOU 180 N CYS A 553 15534 14905 13878 -2547 2641 -4048 N ATOM 181 CA CYS A 553 14.756 11.010 35.454 1.00112.37 C ANISOU 181 CA CYS A 553 14917 14519 13258 -2408 2305 -3780 C ATOM 182 C CYS A 553 16.152 11.174 36.031 1.00104.10 C ANISOU 182 C CYS A 553 13961 13812 11782 -2494 2121 -3787 C ATOM 183 O CYS A 553 17.066 11.649 35.368 1.00103.04 O ANISOU 183 O CYS A 553 13703 13770 11679 -2490 1903 -3737 O ATOM 184 CB CYS A 553 14.613 11.800 34.160 1.00104.44 C ANISOU 184 CB CYS A 553 13692 13295 12697 -2329 2189 -3750 C ATOM 185 SG CYS A 553 13.209 11.294 33.206 1.00 88.65 S ANISOU 185 SG CYS A 553 11540 11001 11142 -2147 2263 -3672 S ATOM 186 N ALA A 554 16.295 10.779 37.288 1.00105.28 N ANISOU 186 N ALA A 554 14329 14153 11521 -2575 2219 -3865 N ATOM 187 CA ALA A 554 17.597 10.729 37.933 1.00102.51 C ANISOU 187 CA ALA A 554 14066 14184 10698 -2617 2012 -3870 C ATOM 188 C ALA A 554 18.490 9.720 37.212 1.00102.08 C ANISOU 188 C ALA A 554 13972 14340 10473 -2401 1706 -3559 C ATOM 189 O ALA A 554 18.202 8.519 37.218 1.00104.92 O ANISOU 189 O ALA A 554 14475 14695 10694 -2240 1721 -3345 O ATOM 190 CB ALA A 554 17.441 10.366 39.414 1.00 88.07 C ANISOU 190 CB ALA A 554 12529 12506 8428 -2704 2176 -3985 C ATOM 191 N GLY A 555 19.555 10.203 36.574 1.00 88.26 N ANISOU 191 N GLY A 555 12032 12752 8749 -2406 1458 -3548 N ATOM 192 CA GLY A 555 20.492 9.315 35.905 1.00 88.08 C ANISOU 192 CA GLY A 555 11946 12951 8570 -2207 1173 -3288 C ATOM 193 C GLY A 555 20.112 8.944 34.476 1.00 89.30 C ANISOU 193 C GLY A 555 11964 12868 9097 -2059 1130 -3067 C ATOM 194 O GLY A 555 20.851 8.218 33.798 1.00 88.64 O ANISOU 194 O GLY A 555 11818 12936 8926 -1893 914 -2855 O ATOM 195 N CYS A 556 18.966 9.441 34.017 1.00 98.56 N ANISOU 195 N CYS A 556 13088 13681 10681 -2105 1327 -3130 N ATOM 196 CA CYS A 556 18.495 9.176 32.658 1.00106.55 C ANISOU 196 CA CYS A 556 13972 14464 12049 -1967 1279 -2951 C ATOM 197 C CYS A 556 19.373 9.841 31.583 1.00 95.50 C ANISOU 197 C CYS A 556 12394 13094 10798 -1974 1084 -2905 C ATOM 198 O CYS A 556 20.245 10.644 31.881 1.00 88.61 O ANISOU 198 O CYS A 556 11471 12379 9818 -2122 1026 -3052 O ATOM 199 CB CYS A 556 17.045 9.650 32.492 1.00103.38 C ANISOU 199 CB CYS A 556 13535 13698 12048 -1999 1515 -3070 C ATOM 200 SG CYS A 556 15.732 8.603 33.196 1.00 78.56 S ANISOU 200 SG CYS A 556 10542 10424 8884 -1962 1783 -3076 S ATOM 201 N HIS A 557 19.113 9.512 30.326 1.00 93.15 N ANISOU 201 N HIS A 557 12009 12639 10746 -1833 1004 -2719 N ATOM 202 CA HIS A 557 19.886 10.057 29.218 1.00 86.36 C ANISOU 202 CA HIS A 557 11020 11777 10016 -1836 850 -2651 C ATOM 203 C HIS A 557 19.020 10.858 28.247 1.00 77.46 C ANISOU 203 C HIS A 557 9838 10283 9309 -1817 918 -2659 C ATOM 204 O HIS A 557 19.447 11.225 27.158 1.00 78.42 O ANISOU 204 O HIS A 557 9901 10333 9562 -1789 813 -2561 O ATOM 205 CB HIS A 557 20.615 8.914 28.518 1.00 75.00 C ANISOU 205 CB HIS A 557 9550 10529 8418 -1664 653 -2403 C ATOM 206 CG HIS A 557 21.784 8.419 29.304 1.00 93.41 C ANISOU 206 CG HIS A 557 11897 13248 10348 -1664 527 -2409 C ATOM 207 ND1 HIS A 557 22.181 7.101 29.314 1.00 96.97 N ANISOU 207 ND1 HIS A 557 12402 13884 10557 -1469 408 -2214 N ATOM 208 CD2 HIS A 557 22.620 9.075 30.149 1.00 99.04 C ANISOU 208 CD2 HIS A 557 12579 14202 10851 -1823 494 -2607 C ATOM 209 CE1 HIS A 557 23.228 6.969 30.114 1.00111.21 C ANISOU 209 CE1 HIS A 557 14201 16037 12016 -1476 284 -2275 C ATOM 210 NE2 HIS A 557 23.511 8.152 30.634 1.00109.50 N ANISOU 210 NE2 HIS A 557 13919 15878 11808 -1699 326 -2524 N ATOM 211 N CYS A 558 17.795 11.119 28.680 1.00 72.45 N ANISOU 211 N CYS A 558 9234 9422 8872 -1820 1099 -2783 N ATOM 212 CA CYS A 558 16.862 12.006 28.010 1.00 78.77 C ANISOU 212 CA CYS A 558 9984 9876 10069 -1780 1174 -2844 C ATOM 213 C CYS A 558 17.433 13.402 27.702 1.00 77.58 C ANISOU 213 C CYS A 558 9841 9602 10033 -1908 1183 -2943 C ATOM 214 O CYS A 558 18.445 13.826 28.261 1.00 69.10 O ANISOU 214 O CYS A 558 8791 8715 8748 -2091 1185 -3049 O ATOM 215 CB CYS A 558 15.598 12.135 28.868 1.00 78.50 C ANISOU 215 CB CYS A 558 9962 9680 10186 -1801 1402 -3038 C ATOM 216 SG CYS A 558 15.938 12.370 30.659 1.00 75.15 S ANISOU 216 SG CYS A 558 9663 9451 9441 -2035 1590 -3285 S ATOM 217 N VAL A 559 16.767 14.111 26.799 1.00 78.90 N ANISOU 217 N VAL A 559 9996 9450 10533 -1807 1191 -2916 N ATOM 218 CA VAL A 559 17.189 15.439 26.374 1.00 65.67 C ANISOU 218 CA VAL A 559 8381 7574 8995 -1905 1231 -2982 C ATOM 219 C VAL A 559 15.952 16.317 26.374 1.00 79.20 C ANISOU 219 C VAL A 559 10114 8918 11062 -1816 1372 -3112 C ATOM 220 O VAL A 559 14.903 15.908 25.888 1.00 92.53 O ANISOU 220 O VAL A 559 11731 10473 12955 -1597 1326 -3041 O ATOM 221 CB VAL A 559 17.832 15.406 24.959 1.00 73.91 C ANISOU 221 CB VAL A 559 9445 8582 10056 -1819 1059 -2745 C ATOM 222 CG1 VAL A 559 18.257 16.760 24.516 1.00 64.80 C ANISOU 222 CG1 VAL A 559 8406 7185 9032 -1936 1142 -2803 C ATOM 223 CG2 VAL A 559 19.018 14.445 24.919 1.00 76.94 C ANISOU 223 CG2 VAL A 559 9775 9342 10117 -1874 918 -2625 C ATOM 224 N GLY A 560 16.059 17.513 26.928 1.00 76.84 N ANISOU 224 N GLY A 560 9896 8457 10844 -1979 1547 -3323 N ATOM 225 CA GLY A 560 14.906 18.385 27.020 1.00 72.56 C ANISOU 225 CA GLY A 560 9372 7555 10644 -1878 1698 -3470 C ATOM 226 C GLY A 560 13.842 17.711 27.857 1.00 84.46 C ANISOU 226 C GLY A 560 10766 9126 12201 -1815 1798 -3599 C ATOM 227 O GLY A 560 12.663 17.729 27.509 1.00 95.08 O ANISOU 227 O GLY A 560 12022 10262 13843 -1603 1812 -3616 O ATOM 228 N CYS A 561 14.280 17.095 28.951 1.00 77.58 N ANISOU 228 N CYS A 561 9899 8554 11023 -1999 1867 -3693 N ATOM 229 CA CYS A 561 13.385 16.448 29.895 1.00 71.58 C ANISOU 229 CA CYS A 561 9086 7862 10248 -1998 2019 -3830 C ATOM 230 C CYS A 561 12.404 17.441 30.494 1.00 77.47 C ANISOU 230 C CYS A 561 9824 8326 11286 -2020 2272 -4113 C ATOM 231 O CYS A 561 12.782 18.543 30.864 1.00 88.98 O ANISOU 231 O CYS A 561 11375 9663 12769 -2168 2390 -4278 O ATOM 232 CB CYS A 561 14.168 15.780 31.025 1.00 70.29 C ANISOU 232 CB CYS A 561 9005 8055 9648 -2197 2055 -3880 C ATOM 233 SG CYS A 561 13.083 14.812 32.127 1.00 79.96 S ANISOU 233 SG CYS A 561 10232 9348 10800 -2202 2271 -4002 S ATOM 234 N LYS A 562 11.141 17.048 30.576 1.00 91.92 N ANISOU 234 N LYS A 562 11529 10047 13349 -1878 2370 -4189 N ATOM 235 CA LYS A 562 10.133 17.896 31.175 1.00 94.55 C ANISOU 235 CA LYS A 562 11818 10127 13980 -1877 2626 -4481 C ATOM 236 C LYS A 562 9.377 17.068 32.198 1.00 91.99 C ANISOU 236 C LYS A 562 11441 9933 13579 -1960 2843 -4644 C ATOM 237 O LYS A 562 8.247 17.372 32.555 1.00 96.49 O ANISOU 237 O LYS A 562 11897 10321 14445 -1908 3055 -4874 O ATOM 238 CB LYS A 562 9.190 18.471 30.120 1.00 92.04 C ANISOU 238 CB LYS A 562 11366 9484 14120 -1579 2546 -4457 C ATOM 239 CG LYS A 562 9.878 19.182 28.962 1.00 83.83 C ANISOU 239 CG LYS A 562 10429 8287 13136 -1468 2331 -4245 C ATOM 240 CD LYS A 562 9.713 20.671 29.037 1.00 79.24 C ANISOU 240 CD LYS A 562 9952 7352 12804 -1455 2481 -4412 C ATOM 241 CE LYS A 562 9.507 21.326 27.670 1.00 86.33 C ANISOU 241 CE LYS A 562 10892 7945 13963 -1159 2292 -4222 C ATOM 242 NZ LYS A 562 10.515 20.946 26.663 1.00 99.89 N ANISOU 242 NZ LYS A 562 12713 9784 15456 -1157 2042 -3906 N ATOM 243 N ASN A 563 10.024 16.008 32.659 1.00 86.54 N ANISOU 243 N ASN A 563 10845 9552 12486 -2082 2799 -4523 N ATOM 244 CA ASN A 563 9.512 15.220 33.758 1.00 82.95 C ANISOU 244 CA ASN A 563 10435 9225 11857 -2206 3036 -4659 C ATOM 245 C ASN A 563 9.410 16.061 35.016 1.00 95.51 C ANISOU 245 C ASN A 563 12137 10770 13384 -2421 3327 -4975 C ATOM 246 O ASN A 563 10.431 16.480 35.551 1.00100.79 O ANISOU 246 O ASN A 563 12965 11583 13746 -2594 3296 -5005 O ATOM 247 CB ASN A 563 10.414 14.018 34.011 1.00 86.36 C ANISOU 247 CB ASN A 563 11013 9983 11816 -2271 2908 -4437 C ATOM 248 CG ASN A 563 9.777 12.997 34.920 1.00102.47 C ANISOU 248 CG ASN A 563 13136 12112 13687 -2352 3146 -4508 C ATOM 249 OD1 ASN A 563 8.894 13.325 35.711 1.00109.16 O ANISOU 249 OD1 ASN A 563 13975 12835 14667 -2450 3455 -4779 O ATOM 250 ND2 ASN A 563 10.215 11.748 34.812 1.00 95.90 N ANISOU 250 ND2 ASN A 563 12400 11477 12560 -2313 3030 -4270 N ATOM 251 N PRO A 564 8.178 16.290 35.508 1.00108.42 N ANISOU 251 N PRO A 564 13675 12218 15304 -2421 3620 -5239 N ATOM 252 CA PRO A 564 7.935 17.135 36.683 1.00107.99 C ANISOU 252 CA PRO A 564 13716 12081 15233 -2620 3939 -5577 C ATOM 253 C PRO A 564 8.214 16.411 37.994 1.00106.64 C ANISOU 253 C PRO A 564 13769 12167 14583 -2858 4130 -5651 C ATOM 254 O PRO A 564 8.082 17.016 39.057 1.00126.51 O ANISOU 254 O PRO A 564 16361 14699 17008 -3019 4334 -5801 O ATOM 255 CB PRO A 564 6.450 17.474 36.562 1.00 99.87 C ANISOU 255 CB PRO A 564 12442 10796 14708 -2473 4133 -5749 C ATOM 256 CG PRO A 564 5.867 16.276 35.935 1.00107.86 C ANISOU 256 CG PRO A 564 13312 11852 15818 -2338 4070 -5646 C ATOM 257 CD PRO A 564 6.919 15.738 34.977 1.00114.22 C ANISOU 257 CD PRO A 564 14175 12821 16402 -2240 3677 -5264 C ATOM 258 N HIS A 565 8.593 15.139 37.914 1.00105.48 N ANISOU 258 N HIS A 565 13705 12251 14120 -2834 3995 -5399 N ATOM 259 CA HIS A 565 8.854 14.332 39.103 1.00118.71 C ANISOU 259 CA HIS A 565 15644 14160 15301 -3013 4157 -5418 C ATOM 260 C HIS A 565 10.136 14.744 39.813 1.00119.97 C ANISOU 260 C HIS A 565 16022 14566 14997 -3175 4040 -5432 C ATOM 261 O HIS A 565 11.223 14.647 39.248 1.00123.63 O ANISOU 261 O HIS A 565 16486 15203 15286 -3113 3709 -5213 O ATOM 262 CB HIS A 565 8.945 12.847 38.748 1.00139.71 C ANISOU 262 CB HIS A 565 18359 16966 17757 -2910 4036 -5121 C ATOM 263 CG HIS A 565 7.675 12.265 38.203 1.00162.71 C ANISOU 263 CG HIS A 565 21070 19685 21066 -2802 4185 -5147 C ATOM 264 ND1 HIS A 565 7.537 11.868 36.890 1.00169.75 N ANISOU 264 ND1 HIS A 565 21747 20520 22232 -2588 3934 -4941 N ATOM 265 CD2 HIS A 565 6.495 11.989 38.803 1.00165.66 C ANISOU 265 CD2 HIS A 565 21414 19930 21599 -2895 4567 -5380 C ATOM 266 CE1 HIS A 565 6.320 11.385 36.703 1.00170.50 C ANISOU 266 CE1 HIS A 565 21667 20470 22644 -2551 4135 -5058 C ATOM 267 NE2 HIS A 565 5.667 11.451 37.849 1.00170.47 N ANISOU 267 NE2 HIS A 565 21761 20417 22592 -2740 4531 -5330 N ATOM 268 N LYS A 566 10.010 15.194 41.057 1.00122.87 N ANISOU 268 N LYS A 566 16531 14977 15177 -3367 4271 -5630 N ATOM 269 CA LYS A 566 11.183 15.504 41.863 1.00120.79 C ANISOU 269 CA LYS A 566 16463 14993 14437 -3526 4149 -5654 C ATOM 270 C LYS A 566 11.661 14.263 42.614 1.00120.10 C ANISOU 270 C LYS A 566 16656 15210 13767 -3548 4108 -5500 C ATOM 271 O LYS A 566 12.492 13.505 42.111 1.00116.08 O ANISOU 271 O LYS A 566 16202 14908 12994 -3443 3843 -5296 O ATOM 272 CB LYS A 566 10.888 16.650 42.839 1.00126.07 C ANISOU 272 CB LYS A 566 17139 15578 15183 -3700 4362 -5882 C ATOM 273 CG LYS A 566 11.012 18.039 42.204 1.00126.35 C ANISOU 273 CG LYS A 566 16987 15402 15619 -3696 4315 -6003 C ATOM 274 CD LYS A 566 10.988 19.147 43.236 1.00125.17 C ANISOU 274 CD LYS A 566 16886 15223 15448 -3892 4504 -6223 C ATOM 275 CE LYS A 566 11.300 20.510 42.619 1.00131.92 C ANISOU 275 CE LYS A 566 17613 15876 16636 -3897 4456 -6316 C ATOM 276 NZ LYS A 566 10.096 21.373 42.427 1.00129.85 N ANISOU 276 NZ LYS A 566 17194 15236 16907 -3803 4697 -6435 N TER 277 LYS A 566 ATOM 278 N LYS B 522 29.729 -9.176 -1.280 1.00106.42 N ANISOU 278 N LYS B 522 14203 14614 11615 344 248 -106 N ATOM 279 CA LYS B 522 28.793 -9.538 -0.219 1.00109.86 C ANISOU 279 CA LYS B 522 14604 14964 12173 436 137 -87 C ATOM 280 C LYS B 522 29.135 -8.731 1.033 1.00104.32 C ANISOU 280 C LYS B 522 13724 14362 11550 441 84 -49 C ATOM 281 O LYS B 522 30.306 -8.457 1.293 1.00113.82 O ANISOU 281 O LYS B 522 14773 15734 12739 450 162 -64 O ATOM 282 CB LYS B 522 28.838 -11.050 0.070 1.00118.71 C ANISOU 282 CB LYS B 522 15734 16037 13334 609 237 -121 C ATOM 283 CG LYS B 522 28.879 -11.967 -1.173 1.00126.73 C ANISOU 283 CG LYS B 522 16901 16987 14265 609 349 -192 C ATOM 284 CD LYS B 522 27.630 -11.846 -2.059 1.00118.81 C ANISOU 284 CD LYS B 522 16075 15855 13214 479 237 -238 C ATOM 285 CE LYS B 522 27.725 -12.720 -3.316 1.00111.87 C ANISOU 285 CE LYS B 522 15352 14932 12220 459 348 -330 C ATOM 286 NZ LYS B 522 27.250 -14.142 -3.136 1.00100.23 N ANISOU 286 NZ LYS B 522 13940 13322 10822 547 445 -415 N ATOM 287 N PRO B 523 28.115 -8.326 1.800 1.00 84.62 N ANISOU 287 N PRO B 523 11233 11776 9141 423 -43 -25 N ATOM 288 CA PRO B 523 28.347 -7.484 2.983 1.00 73.57 C ANISOU 288 CA PRO B 523 9687 10462 7804 404 -94 -4 C ATOM 289 C PRO B 523 29.104 -8.185 4.123 1.00 86.83 C ANISOU 289 C PRO B 523 11220 12272 9498 571 -44 -4 C ATOM 290 O PRO B 523 29.214 -9.414 4.135 1.00 91.89 O ANISOU 290 O PRO B 523 11905 12884 10127 729 27 -1 O ATOM 291 CB PRO B 523 26.928 -7.107 3.433 1.00 72.94 C ANISOU 291 CB PRO B 523 9670 10227 7817 363 -220 1 C ATOM 292 CG PRO B 523 26.021 -8.103 2.801 1.00 78.20 C ANISOU 292 CG PRO B 523 10465 10755 8493 404 -223 -34 C ATOM 293 CD PRO B 523 26.679 -8.514 1.516 1.00 84.92 C ANISOU 293 CD PRO B 523 11401 11640 9224 394 -145 -45 C ATOM 294 N LYS B 524 29.619 -7.393 5.067 1.00 80.04 N ANISOU 294 N LYS B 524 10205 11553 8654 545 -84 -13 N ATOM 295 CA LYS B 524 30.435 -7.902 6.162 1.00 83.96 C ANISOU 295 CA LYS B 524 10550 12221 9129 718 -78 -18 C ATOM 296 C LYS B 524 29.988 -7.301 7.492 1.00 86.53 C ANISOU 296 C LYS B 524 10828 12565 9484 698 -171 -12 C ATOM 297 O LYS B 524 30.356 -6.180 7.853 1.00 90.84 O ANISOU 297 O LYS B 524 11250 13226 10040 564 -210 -62 O ATOM 298 CB LYS B 524 31.928 -7.622 5.911 1.00 74.16 C ANISOU 298 CB LYS B 524 9100 11232 7845 716 -19 -89 C ATOM 299 CG LYS B 524 32.555 -8.642 4.961 1.00 91.70 C ANISOU 299 CG LYS B 524 11341 13470 10031 836 99 -105 C ATOM 300 CD LYS B 524 34.084 -8.571 4.886 1.00 98.13 C ANISOU 300 CD LYS B 524 11894 14563 10826 884 169 -206 C ATOM 301 CE LYS B 524 34.614 -9.609 3.876 1.00 98.98 C ANISOU 301 CE LYS B 524 12038 14658 10912 1004 311 -233 C ATOM 302 NZ LYS B 524 36.087 -9.884 3.957 1.00 93.37 N ANISOU 302 NZ LYS B 524 11040 14229 10209 1144 379 -346 N ATOM 303 N CYS B 525 29.187 -8.060 8.225 1.00 83.02 N ANISOU 303 N CYS B 525 10498 11994 9051 814 -179 35 N ATOM 304 CA CYS B 525 28.527 -7.512 9.405 1.00 83.77 C ANISOU 304 CA CYS B 525 10595 12060 9173 768 -241 34 C ATOM 305 C CYS B 525 29.437 -7.609 10.609 1.00 75.20 C ANISOU 305 C CYS B 525 9387 11197 7990 911 -281 32 C ATOM 306 O CYS B 525 30.268 -8.497 10.690 1.00 63.08 O ANISOU 306 O CYS B 525 7820 9774 6375 1120 -262 60 O ATOM 307 CB CYS B 525 27.203 -8.239 9.681 1.00 80.49 C ANISOU 307 CB CYS B 525 10364 11404 8813 795 -201 63 C ATOM 308 SG CYS B 525 27.347 -10.013 10.072 1.00 65.97 S ANISOU 308 SG CYS B 525 8682 9486 6897 1052 -86 135 S ATOM 309 N ARG B 526 29.276 -6.685 11.546 1.00 72.28 N ANISOU 309 N ARG B 526 8950 10894 7619 811 -346 -11 N ATOM 310 CA ARG B 526 29.926 -6.807 12.839 1.00 75.46 C ANISOU 310 CA ARG B 526 9270 11501 7899 951 -409 -19 C ATOM 311 C ARG B 526 28.878 -7.050 13.921 1.00 80.62 C ANISOU 311 C ARG B 526 10102 12003 8528 977 -393 25 C ATOM 312 O ARG B 526 28.974 -6.491 15.021 1.00 87.77 O ANISOU 312 O ARG B 526 10959 13029 9360 952 -452 -19 O ATOM 313 CB ARG B 526 30.726 -5.540 13.156 1.00 80.96 C ANISOU 313 CB ARG B 526 9735 12439 8587 796 -480 -142 C ATOM 314 CG ARG B 526 32.121 -5.516 12.576 1.00 76.35 C ANISOU 314 CG ARG B 526 8925 12108 7976 832 -486 -216 C ATOM 315 CD ARG B 526 32.655 -4.106 12.569 1.00 77.26 C ANISOU 315 CD ARG B 526 8848 12372 8137 572 -494 -363 C ATOM 316 NE ARG B 526 32.712 -3.535 13.907 1.00 87.63 N ANISOU 316 NE ARG B 526 10078 13834 9382 543 -585 -443 N ATOM 317 CZ ARG B 526 32.511 -2.250 14.178 1.00 82.86 C ANISOU 317 CZ ARG B 526 9430 13214 8838 282 -573 -548 C ATOM 318 NH1 ARG B 526 32.224 -1.397 13.197 1.00 74.21 N ANISOU 318 NH1 ARG B 526 8386 11941 7869 49 -476 -564 N ATOM 319 NH2 ARG B 526 32.595 -1.818 15.434 1.00 71.08 N ANISOU 319 NH2 ARG B 526 7868 11874 7265 264 -653 -637 N ATOM 320 N CYS B 527 27.867 -7.861 13.612 1.00 73.30 N ANISOU 320 N CYS B 527 9378 10812 7660 1002 -297 87 N ATOM 321 CA CYS B 527 26.762 -8.055 14.553 1.00 74.76 C ANISOU 321 CA CYS B 527 9733 10824 7850 975 -233 101 C ATOM 322 C CYS B 527 27.282 -8.804 15.792 1.00 77.46 C ANISOU 322 C CYS B 527 10181 11265 7987 1204 -232 177 C ATOM 323 O CYS B 527 28.071 -9.742 15.679 1.00 77.71 O ANISOU 323 O CYS B 527 10251 11362 7912 1440 -234 256 O ATOM 324 CB CYS B 527 25.584 -8.831 13.918 1.00 75.06 C ANISOU 324 CB CYS B 527 9943 10567 8008 932 -107 113 C ATOM 325 SG CYS B 527 24.932 -8.292 12.273 1.00 66.88 S ANISOU 325 SG CYS B 527 8835 9410 7167 740 -135 41 S ATOM 326 N GLY B 528 26.854 -8.371 16.974 1.00 81.46 N ANISOU 326 N GLY B 528 10746 11782 8425 1151 -233 153 N ATOM 327 CA GLY B 528 27.103 -9.106 18.206 1.00 66.04 C ANISOU 327 CA GLY B 528 8974 9873 6244 1363 -218 241 C ATOM 328 C GLY B 528 28.394 -8.819 18.956 1.00 81.12 C ANISOU 328 C GLY B 528 10740 12136 7946 1530 -398 232 C ATOM 329 O GLY B 528 28.647 -9.445 19.979 1.00105.25 O ANISOU 329 O GLY B 528 13968 15247 10775 1747 -417 317 O ATOM 330 N ILE B 529 29.202 -7.880 18.471 1.00 84.08 N ANISOU 330 N ILE B 529 10811 12750 8386 1428 -524 119 N ATOM 331 CA ILE B 529 30.516 -7.611 19.063 1.00 97.46 C ANISOU 331 CA ILE B 529 12297 14822 9909 1570 -703 60 C ATOM 332 C ILE B 529 30.460 -7.148 20.515 1.00115.22 C ANISOU 332 C ILE B 529 14598 17215 11965 1566 -781 14 C ATOM 333 O ILE B 529 31.153 -7.701 21.370 1.00118.55 O ANISOU 333 O ILE B 529 15064 17839 12140 1837 -899 63 O ATOM 334 CB ILE B 529 31.289 -6.551 18.276 1.00 88.55 C ANISOU 334 CB ILE B 529 10830 13899 8914 1378 -772 -96 C ATOM 335 CG1 ILE B 529 31.483 -7.019 16.839 1.00 90.41 C ANISOU 335 CG1 ILE B 529 11025 14029 9298 1393 -696 -56 C ATOM 336 CG2 ILE B 529 32.632 -6.293 18.944 1.00 87.37 C ANISOU 336 CG2 ILE B 529 10424 14171 8602 1506 -953 -205 C ATOM 337 CD1 ILE B 529 32.155 -8.367 16.746 1.00 97.85 C ANISOU 337 CD1 ILE B 529 12024 15025 10130 1745 -711 51 C ATOM 338 N SER B 530 29.657 -6.125 20.794 1.00115.69 N ANISOU 338 N SER B 530 14655 17176 12125 1275 -723 -87 N ATOM 339 CA SER B 530 29.484 -5.679 22.170 1.00119.05 C ANISOU 339 CA SER B 530 15160 17708 12367 1241 -763 -146 C ATOM 340 C SER B 530 28.835 -6.795 22.980 1.00124.94 C ANISOU 340 C SER B 530 16280 18266 12928 1437 -661 17 C ATOM 341 O SER B 530 28.245 -7.722 22.421 1.00132.95 O ANISOU 341 O SER B 530 17486 19003 14027 1509 -517 144 O ATOM 342 CB SER B 530 28.635 -4.411 22.236 1.00114.81 C ANISOU 342 CB SER B 530 14570 17045 12008 894 -680 -288 C ATOM 343 OG SER B 530 27.272 -4.702 21.987 1.00120.19 O ANISOU 343 OG SER B 530 15462 17360 12844 802 -494 -225 O ATOM 344 N GLY B 531 28.948 -6.718 24.296 1.00123.75 N ANISOU 344 N GLY B 531 16253 18258 12510 1511 -721 6 N ATOM 345 CA GLY B 531 28.339 -7.728 25.134 1.00125.25 C ANISOU 345 CA GLY B 531 16850 18250 12489 1680 -593 166 C ATOM 346 C GLY B 531 26.833 -7.596 25.113 1.00128.63 C ANISOU 346 C GLY B 531 17462 18306 13105 1415 -326 144 C ATOM 347 O GLY B 531 26.126 -8.526 24.731 1.00134.62 O ANISOU 347 O GLY B 531 18446 18761 13944 1455 -137 257 O ATOM 348 N SER B 532 26.353 -6.414 25.494 1.00128.68 N ANISOU 348 N SER B 532 17350 18340 13202 1137 -305 -27 N ATOM 349 CA SER B 532 24.934 -6.183 25.759 1.00130.79 C ANISOU 349 CA SER B 532 17772 18304 13619 901 -62 -88 C ATOM 350 C SER B 532 24.101 -6.217 24.482 1.00127.65 C ANISOU 350 C SER B 532 17277 17635 13589 756 58 -107 C ATOM 351 O SER B 532 23.976 -5.208 23.790 1.00134.82 O ANISOU 351 O SER B 532 17930 18559 14738 572 1 -230 O ATOM 352 CB SER B 532 24.749 -4.841 26.483 1.00125.51 C ANISOU 352 CB SER B 532 16976 17755 12958 666 -86 -285 C ATOM 353 OG SER B 532 23.663 -4.885 27.396 1.00117.21 O ANISOU 353 OG SER B 532 16175 16503 11858 545 139 -323 O ATOM 354 N SER B 533 23.522 -7.384 24.197 1.00120.87 N ANISOU 354 N SER B 533 16645 16524 12757 841 228 10 N ATOM 355 CA SER B 533 22.790 -7.630 22.957 1.00112.01 C ANISOU 355 CA SER B 533 15444 15171 11945 737 322 -11 C ATOM 356 C SER B 533 22.106 -8.993 22.996 1.00108.97 C ANISOU 356 C SER B 533 15368 14502 11535 807 559 88 C ATOM 357 O SER B 533 22.716 -9.978 23.406 1.00106.67 O ANISOU 357 O SER B 533 15313 14220 10995 1047 574 248 O ATOM 358 CB SER B 533 23.738 -7.559 21.768 1.00113.86 C ANISOU 358 CB SER B 533 15450 15554 12259 830 133 25 C ATOM 359 OG SER B 533 24.983 -8.146 22.120 1.00124.10 O ANISOU 359 OG SER B 533 16793 17068 13290 1102 3 144 O ATOM 360 N ASN B 534 20.846 -9.049 22.569 1.00100.22 N ANISOU 360 N ASN B 534 14256 13138 10687 603 747 -19 N ATOM 361 CA ASN B 534 20.075 -10.290 22.632 1.00 94.28 C ANISOU 361 CA ASN B 534 13787 12092 9942 601 1023 24 C ATOM 362 C ASN B 534 20.655 -11.326 21.671 1.00104.03 C ANISOU 362 C ASN B 534 15080 13276 11171 784 992 151 C ATOM 363 O ASN B 534 20.462 -11.257 20.452 1.00107.89 O ANISOU 363 O ASN B 534 15369 13732 11891 713 933 84 O ATOM 364 CB ASN B 534 18.595 -10.030 22.333 1.00 82.30 C ANISOU 364 CB ASN B 534 12173 10357 8740 321 1213 -177 C ATOM 365 CG ASN B 534 17.738 -11.272 22.490 1.00 94.60 C ANISOU 365 CG ASN B 534 14015 11609 10321 259 1546 -182 C ATOM 366 OD1 ASN B 534 18.219 -12.393 22.362 1.00 96.02 O ANISOU 366 OD1 ASN B 534 14438 11693 10351 428 1618 -27 O ATOM 367 ND2 ASN B 534 16.457 -11.075 22.760 1.00101.82 N ANISOU 367 ND2 ASN B 534 14894 12356 11436 12 1769 -377 N ATOM 368 N THR B 535 21.336 -12.306 22.252 1.00 99.27 N ANISOU 368 N THR B 535 14777 12654 10288 1033 1041 333 N ATOM 369 CA THR B 535 22.184 -13.228 21.508 1.00 93.41 C ANISOU 369 CA THR B 535 14091 11912 9489 1277 978 471 C ATOM 370 C THR B 535 21.430 -14.195 20.600 1.00102.06 C ANISOU 370 C THR B 535 15294 12700 10782 1189 1201 436 C ATOM 371 O THR B 535 22.049 -14.870 19.778 1.00107.40 O ANISOU 371 O THR B 535 15976 13366 11465 1352 1156 512 O ATOM 372 CB THR B 535 23.053 -14.057 22.474 1.00 91.53 C ANISOU 372 CB THR B 535 14183 11710 8885 1611 975 681 C ATOM 373 OG1 THR B 535 23.997 -14.842 21.733 1.00 95.44 O ANISOU 373 OG1 THR B 535 14681 12241 9341 1884 883 800 O ATOM 374 CG2 THR B 535 22.187 -14.979 23.317 1.00 77.67 C ANISOU 374 CG2 THR B 535 12885 9615 7010 1577 1319 745 C ATOM 375 N LEU B 536 20.108 -14.272 20.737 1.00 99.06 N ANISOU 375 N LEU B 536 14985 12081 10571 924 1448 297 N ATOM 376 CA LEU B 536 19.346 -15.244 19.957 1.00 91.95 C ANISOU 376 CA LEU B 536 14190 10892 9853 812 1681 226 C ATOM 377 C LEU B 536 18.875 -14.695 18.598 1.00 75.05 C ANISOU 377 C LEU B 536 11683 8809 8025 630 1550 43 C ATOM 378 O LEU B 536 18.486 -15.464 17.732 1.00 83.10 O ANISOU 378 O LEU B 536 12734 9660 9179 569 1667 -23 O ATOM 379 CB LEU B 536 18.152 -15.766 20.772 1.00 97.03 C ANISOU 379 CB LEU B 536 15107 11239 10523 608 2056 139 C ATOM 380 CG LEU B 536 16.927 -14.881 21.021 1.00105.63 C ANISOU 380 CG LEU B 536 15980 12314 11841 287 2138 -104 C ATOM 381 CD1 LEU B 536 15.798 -15.195 20.038 1.00106.30 C ANISOU 381 CD1 LEU B 536 15900 12225 12263 37 2283 -340 C ATOM 382 CD2 LEU B 536 16.447 -15.003 22.472 1.00107.52 C ANISOU 382 CD2 LEU B 536 16527 12420 11908 211 2412 -90 C ATOM 383 N THR B 537 18.958 -13.382 18.405 1.00 83.29 N ANISOU 383 N THR B 537 12403 10084 9159 558 1305 -33 N ATOM 384 CA THR B 537 18.494 -12.719 17.177 1.00 87.81 C ANISOU 384 CA THR B 537 12657 10713 9992 410 1154 -188 C ATOM 385 C THR B 537 19.659 -12.226 16.314 1.00 86.63 C ANISOU 385 C THR B 537 12328 10798 9790 556 874 -97 C ATOM 386 O THR B 537 19.469 -11.630 15.241 1.00 78.15 O ANISOU 386 O THR B 537 11032 9786 8876 469 726 -186 O ATOM 387 CB THR B 537 17.586 -11.533 17.521 1.00 88.61 C ANISOU 387 CB THR B 537 12547 10855 10266 210 1115 -357 C ATOM 388 OG1 THR B 537 18.012 -10.953 18.771 1.00 92.24 O ANISOU 388 OG1 THR B 537 13075 11425 10545 258 1099 -286 O ATOM 389 CG2 THR B 537 16.135 -12.004 17.654 1.00 90.67 C ANISOU 389 CG2 THR B 537 12844 10880 10728 -7 1379 -554 C ATOM 390 N THR B 538 20.865 -12.487 16.811 1.00 84.01 N ANISOU 390 N THR B 538 12102 10598 9221 783 809 74 N ATOM 391 CA THR B 538 22.119 -12.131 16.162 1.00 68.43 C ANISOU 391 CA THR B 538 9964 8861 7175 932 585 151 C ATOM 392 C THR B 538 22.270 -12.719 14.740 1.00 68.54 C ANISOU 392 C THR B 538 9939 8818 7287 952 579 137 C ATOM 393 O THR B 538 22.320 -13.935 14.548 1.00 66.34 O ANISOU 393 O THR B 538 9863 8376 6966 1057 733 189 O ATOM 394 CB THR B 538 23.301 -12.587 17.056 1.00 68.62 C ANISOU 394 CB THR B 538 10126 9023 6925 1208 546 315 C ATOM 395 OG1 THR B 538 23.156 -11.989 18.344 1.00 81.53 O ANISOU 395 OG1 THR B 538 11803 10733 8441 1175 537 312 O ATOM 396 CG2 THR B 538 24.640 -12.171 16.462 1.00 72.80 C ANISOU 396 CG2 THR B 538 10431 9834 7396 1348 326 353 C ATOM 397 N CYS B 539 22.366 -11.819 13.768 1.00 64.27 N ANISOU 397 N CYS B 539 9160 8401 6858 850 411 66 N ATOM 398 CA CYS B 539 22.394 -12.120 12.334 1.00 57.01 C ANISOU 398 CA CYS B 539 8187 7449 6027 823 382 25 C ATOM 399 C CYS B 539 21.168 -12.888 11.917 1.00 58.98 C ANISOU 399 C CYS B 539 8541 7453 6416 694 540 -90 C ATOM 400 O CYS B 539 21.210 -13.739 11.031 1.00 76.09 O ANISOU 400 O CYS B 539 10781 9530 8598 717 608 -111 O ATOM 401 CB CYS B 539 23.662 -12.886 11.948 1.00 48.55 C ANISOU 401 CB CYS B 539 7169 6461 4816 1043 383 136 C ATOM 402 SG CYS B 539 25.124 -11.876 12.243 1.00 67.77 S ANISOU 402 SG CYS B 539 9389 9236 7124 1153 181 201 S ATOM 403 N ARG B 540 20.058 -12.569 12.549 1.00 62.57 N ANISOU 403 N ARG B 540 8984 7807 6983 540 609 -193 N ATOM 404 CA ARG B 540 18.815 -13.248 12.226 1.00 66.67 C ANISOU 404 CA ARG B 540 9557 8113 7662 384 772 -353 C ATOM 405 C ARG B 540 17.666 -12.245 12.221 1.00 66.20 C ANISOU 405 C ARG B 540 9288 8064 7800 196 689 -526 C ATOM 406 O ARG B 540 16.569 -12.558 12.635 1.00 65.80 O ANISOU 406 O ARG B 540 9253 7864 7882 53 856 -675 O ATOM 407 CB ARG B 540 18.579 -14.366 13.227 1.00 62.77 C ANISOU 407 CB ARG B 540 9342 7411 7098 410 1061 -315 C ATOM 408 CG ARG B 540 17.796 -15.526 12.702 1.00 79.86 C ANISOU 408 CG ARG B 540 11636 9336 9371 296 1287 -446 C ATOM 409 CD ARG B 540 17.570 -16.555 13.783 1.00 88.43 C ANISOU 409 CD ARG B 540 13049 10179 10372 309 1612 -393 C ATOM 410 NE ARG B 540 16.715 -17.633 13.310 1.00101.74 N ANISOU 410 NE ARG B 540 14858 11608 12191 144 1874 -560 N ATOM 411 CZ ARG B 540 16.040 -18.446 14.113 1.00127.09 C ANISOU 411 CZ ARG B 540 18326 14549 15411 32 2219 -610 C ATOM 412 NH1 ARG B 540 16.124 -18.293 15.430 1.00135.24 N ANISOU 412 NH1 ARG B 540 19538 15542 16305 87 2329 -487 N ATOM 413 NH2 ARG B 540 15.277 -19.404 13.600 1.00134.30 N ANISOU 413 NH2 ARG B 540 19331 15233 16465 -152 2470 -797 N ATOM 414 N ASN B 541 17.948 -11.029 11.751 1.00 65.73 N ANISOU 414 N ASN B 541 9038 8174 7764 202 445 -513 N ATOM 415 CA ASN B 541 16.948 -9.959 11.669 1.00 61.13 C ANISOU 415 CA ASN B 541 8256 7603 7366 77 332 -661 C ATOM 416 C ASN B 541 17.390 -8.874 10.694 1.00 67.67 C ANISOU 416 C ASN B 541 8950 8573 8190 114 70 -618 C ATOM 417 O ASN B 541 18.542 -8.858 10.243 1.00 69.75 O ANISOU 417 O ASN B 541 9259 8942 8301 209 0 -480 O ATOM 418 CB ASN B 541 16.722 -9.320 13.028 1.00 62.08 C ANISOU 418 CB ASN B 541 8365 7725 7497 39 402 -667 C ATOM 419 CG ASN B 541 17.896 -8.492 13.454 1.00 76.11 C ANISOU 419 CG ASN B 541 10133 9671 9114 136 276 -514 C ATOM 420 OD1 ASN B 541 18.105 -7.384 12.956 1.00 76.89 O ANISOU 420 OD1 ASN B 541 10094 9867 9253 126 91 -512 O ATOM 421 ND2 ASN B 541 18.705 -9.040 14.358 1.00 77.99 N ANISOU 421 ND2 ASN B 541 10529 9946 9158 236 376 -388 N ATOM 422 N SER B 542 16.506 -7.911 10.450 1.00 65.82 N ANISOU 422 N SER B 542 8558 8334 8118 45 -60 -737 N ATOM 423 CA SER B 542 16.662 -6.972 9.341 1.00 67.74 C ANISOU 423 CA SER B 542 8723 8653 8364 79 -296 -711 C ATOM 424 C SER B 542 17.843 -6.015 9.502 1.00 68.46 C ANISOU 424 C SER B 542 8835 8856 8323 128 -376 -552 C ATOM 425 O SER B 542 18.331 -5.445 8.526 1.00 82.65 O ANISOU 425 O SER B 542 10642 10707 10056 155 -514 -485 O ATOM 426 CB SER B 542 15.360 -6.187 9.144 1.00 69.97 C ANISOU 426 CB SER B 542 8841 8885 8859 35 -418 -879 C ATOM 427 OG SER B 542 15.064 -5.382 10.267 1.00 77.74 O ANISOU 427 OG SER B 542 9758 9846 9935 2 -368 -913 O ATOM 428 N ARG B 543 18.303 -5.834 10.728 1.00 59.37 N ANISOU 428 N ARG B 543 7699 7741 7119 126 -278 -504 N ATOM 429 CA ARG B 543 19.483 -5.004 10.979 1.00 67.47 C ANISOU 429 CA ARG B 543 8719 8898 8019 148 -334 -393 C ATOM 430 C ARG B 543 20.793 -5.637 10.480 1.00 59.33 C ANISOU 430 C ARG B 543 7750 7985 6807 231 -324 -272 C ATOM 431 O ARG B 543 21.819 -4.953 10.364 1.00 59.32 O ANISOU 431 O ARG B 543 7712 8110 6715 231 -378 -209 O ATOM 432 CB ARG B 543 19.591 -4.709 12.473 1.00 83.34 C ANISOU 432 CB ARG B 543 10722 10941 10002 124 -243 -405 C ATOM 433 CG ARG B 543 18.312 -4.194 13.080 1.00 84.01 C ANISOU 433 CG ARG B 543 10744 10906 10271 41 -206 -545 C ATOM 434 CD ARG B 543 17.837 -3.007 12.301 1.00 94.73 C ANISOU 434 CD ARG B 543 12007 12218 11770 14 -362 -594 C ATOM 435 NE ARG B 543 16.851 -2.225 13.036 1.00104.99 N ANISOU 435 NE ARG B 543 13219 13428 13244 -44 -334 -727 N ATOM 436 CZ ARG B 543 16.930 -0.911 13.198 1.00101.01 C ANISOU 436 CZ ARG B 543 12674 12910 12795 -69 -402 -740 C ATOM 437 NH1 ARG B 543 15.991 -0.283 13.875 1.00104.03 N ANISOU 437 NH1 ARG B 543 12975 13199 13351 -109 -358 -877 N ATOM 438 NH2 ARG B 543 17.952 -0.229 12.685 1.00 98.00 N ANISOU 438 NH2 ARG B 543 12339 12595 12303 -65 -488 -629 N ATOM 439 N CYS B 544 20.763 -6.939 10.209 1.00 59.61 N ANISOU 439 N CYS B 544 7874 7974 6803 293 -233 -262 N ATOM 440 CA CYS B 544 21.905 -7.622 9.621 1.00 70.02 C ANISOU 440 CA CYS B 544 9244 9384 7976 391 -212 -169 C ATOM 441 C CYS B 544 21.830 -7.512 8.101 1.00 63.71 C ANISOU 441 C CYS B 544 8451 8568 7188 358 -299 -186 C ATOM 442 O CYS B 544 20.843 -7.929 7.492 1.00 61.70 O ANISOU 442 O CYS B 544 8225 8199 7019 318 -311 -272 O ATOM 443 CB CYS B 544 21.951 -9.093 10.053 1.00 69.75 C ANISOU 443 CB CYS B 544 9340 9276 7885 492 -52 -144 C ATOM 444 SG CYS B 544 23.322 -10.039 9.303 1.00 73.65 S ANISOU 444 SG CYS B 544 9894 9863 8228 653 -11 -48 S ATOM 445 N PRO B 545 22.862 -6.936 7.481 1.00 61.82 N ANISOU 445 N PRO B 545 8186 8450 6852 361 -355 -121 N ATOM 446 CA PRO B 545 22.863 -6.784 6.019 1.00 60.98 C ANISOU 446 CA PRO B 545 8131 8327 6711 326 -424 -122 C ATOM 447 C PRO B 545 22.867 -8.152 5.343 1.00 77.16 C ANISOU 447 C PRO B 545 10269 10333 8714 386 -341 -145 C ATOM 448 O PRO B 545 22.194 -8.378 4.337 1.00 72.68 O ANISOU 448 O PRO B 545 9761 9696 8160 348 -395 -208 O ATOM 449 CB PRO B 545 24.159 -6.013 5.743 1.00 66.57 C ANISOU 449 CB PRO B 545 8803 9177 7312 303 -425 -53 C ATOM 450 CG PRO B 545 25.020 -6.228 6.957 1.00 70.97 C ANISOU 450 CG PRO B 545 9267 9865 7833 369 -353 -30 C ATOM 451 CD PRO B 545 24.063 -6.368 8.113 1.00 67.00 C ANISOU 451 CD PRO B 545 8763 9273 7422 380 -347 -64 C ATOM 452 N CYS B 546 23.604 -9.086 5.926 1.00 80.76 N ANISOU 452 N CYS B 546 10743 10828 9113 493 -212 -104 N ATOM 453 CA CYS B 546 23.655 -10.434 5.382 1.00 68.81 C ANISOU 453 CA CYS B 546 9337 9241 7565 562 -97 -127 C ATOM 454 C CYS B 546 22.268 -11.063 5.398 1.00 65.22 C ANISOU 454 C CYS B 546 8946 8609 7226 494 -61 -238 C ATOM 455 O CYS B 546 21.724 -11.430 4.365 1.00 68.91 O ANISOU 455 O CYS B 546 9460 9017 7707 435 -83 -329 O ATOM 456 CB CYS B 546 24.640 -11.264 6.189 1.00 59.82 C ANISOU 456 CB CYS B 546 8220 8154 6353 730 28 -50 C ATOM 457 SG CYS B 546 26.260 -10.415 6.386 1.00 76.80 S ANISOU 457 SG CYS B 546 10210 10571 8400 795 -29 24 S ATOM 458 N TYR B 547 21.677 -11.145 6.579 1.00 59.79 N ANISOU 458 N TYR B 547 8251 7848 6619 487 -2 -254 N ATOM 459 CA TYR B 547 20.352 -11.736 6.728 1.00 73.16 C ANISOU 459 CA TYR B 547 9979 9374 8445 394 75 -391 C ATOM 460 C TYR B 547 19.303 -11.112 5.808 1.00 68.23 C ANISOU 460 C TYR B 547 9256 8743 7925 272 -88 -530 C ATOM 461 O TYR B 547 18.532 -11.807 5.164 1.00 79.02 O ANISOU 461 O TYR B 547 10644 10027 9353 203 -60 -673 O ATOM 462 CB TYR B 547 19.901 -11.592 8.179 1.00 71.07 C ANISOU 462 CB TYR B 547 9708 9052 8242 378 161 -388 C ATOM 463 CG TYR B 547 18.591 -12.248 8.487 1.00 66.70 C ANISOU 463 CG TYR B 547 9188 8320 7835 260 301 -547 C ATOM 464 CD1 TYR B 547 18.529 -13.618 8.674 1.00 71.59 C ANISOU 464 CD1 TYR B 547 9989 8777 8434 275 534 -565 C ATOM 465 CD2 TYR B 547 17.411 -11.504 8.618 1.00 66.30 C ANISOU 465 CD2 TYR B 547 8986 8250 7956 130 223 -696 C ATOM 466 CE1 TYR B 547 17.344 -14.247 8.985 1.00 74.18 C ANISOU 466 CE1 TYR B 547 10355 8927 8904 128 711 -735 C ATOM 467 CE2 TYR B 547 16.186 -12.142 8.927 1.00 53.32 C ANISOU 467 CE2 TYR B 547 7335 6453 6470 -4 383 -887 C ATOM 468 CZ TYR B 547 16.179 -13.510 9.110 1.00 66.91 C ANISOU 468 CZ TYR B 547 9245 8015 8162 -22 638 -907 C ATOM 469 OH TYR B 547 15.028 -14.177 9.413 1.00 76.68 O ANISOU 469 OH TYR B 547 10492 9088 9556 -189 842 -1111 O ATOM 470 N LYS B 548 19.284 -9.787 5.792 1.00 71.13 N ANISOU 470 N LYS B 548 9521 9198 8309 257 -262 -494 N ATOM 471 CA LYS B 548 18.370 -8.995 4.977 1.00 74.50 C ANISOU 471 CA LYS B 548 9864 9627 8814 199 -459 -592 C ATOM 472 C LYS B 548 18.624 -9.229 3.490 1.00 77.82 C ANISOU 472 C LYS B 548 10364 10090 9113 209 -551 -598 C ATOM 473 O LYS B 548 17.686 -9.393 2.715 1.00 78.21 O ANISOU 473 O LYS B 548 10387 10118 9211 168 -659 -741 O ATOM 474 CB LYS B 548 18.530 -7.507 5.314 1.00 74.16 C ANISOU 474 CB LYS B 548 9751 9639 8787 209 -593 -513 C ATOM 475 CG LYS B 548 17.525 -6.600 4.638 1.00 73.81 C ANISOU 475 CG LYS B 548 9637 9573 8833 199 -806 -598 C ATOM 476 CD LYS B 548 17.515 -5.203 5.250 1.00 85.70 C ANISOU 476 CD LYS B 548 11087 11074 10400 207 -884 -541 C ATOM 477 CE LYS B 548 16.302 -4.419 4.725 1.00101.31 C ANISOU 477 CE LYS B 548 12985 13002 12506 242 -1093 -647 C ATOM 478 NZ LYS B 548 15.751 -3.408 5.680 1.00101.79 N ANISOU 478 NZ LYS B 548 12937 13006 12733 244 -1111 -687 N ATOM 479 N SER B 549 19.897 -9.259 3.099 1.00 73.10 N ANISOU 479 N SER B 549 9855 9567 8352 260 -506 -463 N ATOM 480 CA SER B 549 20.246 -9.484 1.698 1.00 67.20 C ANISOU 480 CA SER B 549 9211 8860 7461 258 -556 -466 C ATOM 481 C SER B 549 20.291 -10.961 1.342 1.00 84.25 C ANISOU 481 C SER B 549 11452 10963 9595 259 -399 -552 C ATOM 482 O SER B 549 20.823 -11.329 0.295 1.00 89.50 O ANISOU 482 O SER B 549 12218 11664 10123 264 -382 -551 O ATOM 483 CB SER B 549 21.583 -8.828 1.354 1.00 68.26 C ANISOU 483 CB SER B 549 9396 9096 7442 286 -543 -315 C ATOM 484 OG SER B 549 22.615 -9.242 2.226 1.00 75.87 O ANISOU 484 OG SER B 549 10324 10110 8393 347 -382 -239 O ATOM 485 N TYR B 550 19.714 -11.791 2.207 1.00 78.51 N ANISOU 485 N TYR B 550 10704 10130 8997 244 -261 -633 N ATOM 486 CA TYR B 550 19.712 -13.240 2.030 1.00 80.05 C ANISOU 486 CA TYR B 550 11008 10219 9190 238 -64 -717 C ATOM 487 C TYR B 550 21.104 -13.792 1.762 1.00 80.33 C ANISOU 487 C TYR B 550 11152 10290 9080 352 66 -595 C ATOM 488 O TYR B 550 21.301 -14.675 0.936 1.00 93.63 O ANISOU 488 O TYR B 550 12943 11930 10701 349 161 -663 O ATOM 489 CB TYR B 550 18.745 -13.639 0.922 1.00 82.46 C ANISOU 489 CB TYR B 550 11319 10499 9515 128 -143 -923 C ATOM 490 CG TYR B 550 17.354 -13.828 1.460 1.00 97.61 C ANISOU 490 CG TYR B 550 13125 12331 11631 17 -135 -1115 C ATOM 491 CD1 TYR B 550 16.788 -15.093 1.563 1.00103.10 C ANISOU 491 CD1 TYR B 550 13877 12879 12415 -80 76 -1290 C ATOM 492 CD2 TYR B 550 16.619 -12.743 1.910 1.00104.67 C ANISOU 492 CD2 TYR B 550 13856 13275 12638 1 -308 -1136 C ATOM 493 CE1 TYR B 550 15.513 -15.266 2.077 1.00103.43 C ANISOU 493 CE1 TYR B 550 13797 12845 12656 -215 121 -1498 C ATOM 494 CE2 TYR B 550 15.358 -12.910 2.441 1.00104.65 C ANISOU 494 CE2 TYR B 550 13719 13206 12839 -105 -278 -1338 C ATOM 495 CZ TYR B 550 14.801 -14.166 2.510 1.00109.45 C ANISOU 495 CZ TYR B 550 14365 13685 13535 -225 -61 -1527 C ATOM 496 OH TYR B 550 13.532 -14.319 3.031 1.00121.20 O ANISOU 496 OH TYR B 550 15698 15111 15240 -363 0 -1762 O ATOM 497 N ASN B 551 22.068 -13.253 2.488 1.00 77.68 N ANISOU 497 N ASN B 551 10771 10045 8700 452 72 -435 N ATOM 498 CA ASN B 551 23.421 -13.760 2.448 1.00 78.26 C ANISOU 498 CA ASN B 551 10893 10178 8666 590 194 -335 C ATOM 499 C ASN B 551 23.773 -14.645 3.629 1.00 90.00 C ANISOU 499 C ASN B 551 12437 11582 10175 735 363 -269 C ATOM 500 O ASN B 551 23.109 -14.635 4.672 1.00 85.14 O ANISOU 500 O ASN B 551 11825 10885 9639 718 386 -266 O ATOM 501 CB ASN B 551 24.412 -12.607 2.387 1.00 72.66 C ANISOU 501 CB ASN B 551 10075 9657 7875 610 91 -229 C ATOM 502 CG ASN B 551 24.588 -12.085 0.988 1.00 84.57 C ANISOU 502 CG ASN B 551 11619 11231 9283 521 12 -256 C ATOM 503 OD1 ASN B 551 24.626 -10.877 0.762 1.00 96.21 O ANISOU 503 OD1 ASN B 551 13049 12781 10726 448 -118 -214 O ATOM 504 ND2 ASN B 551 24.692 -13.004 0.027 1.00 73.14 N ANISOU 504 ND2 ASN B 551 10285 9736 7769 524 106 -329 N ATOM 505 N SER B 552 24.836 -15.416 3.447 1.00 91.85 N ANISOU 505 N SER B 552 12733 11834 10330 892 486 -215 N ATOM 506 CA SER B 552 25.493 -16.071 4.551 1.00 72.88 C ANISOU 506 CA SER B 552 10383 9405 7904 1103 600 -108 C ATOM 507 C SER B 552 26.451 -15.078 5.184 1.00 73.22 C ANISOU 507 C SER B 552 10246 9686 7889 1187 470 -7 C ATOM 508 O SER B 552 26.749 -14.037 4.597 1.00 81.43 O ANISOU 508 O SER B 552 11147 10882 8910 1077 347 -24 O ATOM 509 CB SER B 552 26.248 -17.304 4.093 1.00 61.03 C ANISOU 509 CB SER B 552 9010 7825 6355 1275 776 -104 C ATOM 510 OG SER B 552 27.650 -17.042 4.073 1.00 74.79 O ANISOU 510 OG SER B 552 10619 9780 8018 1449 739 -29 O ATOM 511 N CYS B 553 26.923 -15.413 6.383 1.00 68.66 N ANISOU 511 N CYS B 553 9688 9128 7270 1377 504 90 N ATOM 512 CA CYS B 553 27.915 -14.623 7.105 1.00 69.31 C ANISOU 512 CA CYS B 553 9588 9461 7286 1479 383 159 C ATOM 513 C CYS B 553 29.372 -15.087 6.899 1.00 78.06 C ANISOU 513 C CYS B 553 10607 10735 8318 1715 412 189 C ATOM 514 O CYS B 553 30.255 -14.758 7.684 1.00 87.01 O ANISOU 514 O CYS B 553 11593 12077 9389 1864 326 232 O ATOM 515 CB CYS B 553 27.575 -14.636 8.588 1.00 73.05 C ANISOU 515 CB CYS B 553 10127 9901 7730 1558 371 232 C ATOM 516 SG CYS B 553 26.318 -13.462 8.924 1.00 64.79 S ANISOU 516 SG CYS B 553 9024 8812 6779 1276 277 170 S ATOM 517 N ALA B 554 29.618 -15.846 5.836 1.00 87.18 N ANISOU 517 N ALA B 554 11832 11810 9482 1750 531 142 N ATOM 518 CA ALA B 554 30.982 -16.193 5.433 1.00 82.36 C ANISOU 518 CA ALA B 554 11098 11365 8828 1947 573 132 C ATOM 519 C ALA B 554 31.833 -14.932 5.222 1.00 76.99 C ANISOU 519 C ALA B 554 10130 10988 8134 1839 454 83 C ATOM 520 O ALA B 554 31.448 -14.036 4.466 1.00 77.56 O ANISOU 520 O ALA B 554 10171 11074 8225 1573 417 29 O ATOM 521 CB ALA B 554 30.942 -17.009 4.192 1.00 74.35 C ANISOU 521 CB ALA B 554 10210 10207 7834 1925 731 58 C ATOM 522 N GLY B 555 32.963 -14.850 5.918 1.00 84.28 N ANISOU 522 N GLY B 555 10853 12150 9019 2045 396 93 N ATOM 523 CA GLY B 555 33.822 -13.678 5.859 1.00 88.96 C ANISOU 523 CA GLY B 555 11151 13039 9609 1925 308 15 C ATOM 524 C GLY B 555 33.429 -12.534 6.785 1.00102.63 C ANISOU 524 C GLY B 555 12800 14859 11334 1772 157 31 C ATOM 525 O GLY B 555 34.116 -11.509 6.838 1.00109.48 O ANISOU 525 O GLY B 555 13432 15959 12205 1648 97 -49 O ATOM 526 N CYS B 556 32.332 -12.700 7.521 1.00 90.94 N ANISOU 526 N CYS B 556 11514 13187 9852 1763 121 113 N ATOM 527 CA CYS B 556 31.875 -11.673 8.456 1.00 75.04 C ANISOU 527 CA CYS B 556 9445 11232 7836 1625 -2 119 C ATOM 528 C CYS B 556 32.605 -11.779 9.789 1.00 82.23 C ANISOU 528 C CYS B 556 10242 12351 8651 1854 -103 146 C ATOM 529 O CYS B 556 33.262 -12.785 10.060 1.00 99.06 O ANISOU 529 O CYS B 556 12391 14530 10718 2158 -85 190 O ATOM 530 CB CYS B 556 30.364 -11.772 8.682 1.00 64.24 C ANISOU 530 CB CYS B 556 8312 9583 6516 1504 19 166 C ATOM 531 SG CYS B 556 29.336 -11.212 7.312 1.00 79.50 S ANISOU 531 SG CYS B 556 10327 11334 8547 1206 43 109 S ATOM 532 N HIS B 557 32.484 -10.742 10.621 1.00 76.17 N ANISOU 532 N HIS B 557 9370 11706 7866 1723 -215 114 N ATOM 533 CA HIS B 557 33.157 -10.717 11.920 1.00 92.17 C ANISOU 533 CA HIS B 557 11282 13967 9771 1917 -341 116 C ATOM 534 C HIS B 557 32.163 -10.731 13.068 1.00 85.38 C ANISOU 534 C HIS B 557 10634 12960 8847 1915 -367 197 C ATOM 535 O HIS B 557 32.423 -10.181 14.133 1.00 83.93 O ANISOU 535 O HIS B 557 10360 12962 8568 1933 -484 167 O ATOM 536 CB HIS B 557 34.058 -9.486 12.031 1.00112.57 C ANISOU 536 CB HIS B 557 13536 16873 12365 1761 -439 -34 C ATOM 537 CG HIS B 557 35.320 -9.595 11.232 1.00127.06 C ANISOU 537 CG HIS B 557 15114 18931 14230 1825 -410 -138 C ATOM 538 ND1 HIS B 557 35.408 -9.187 9.922 1.00133.18 N ANISOU 538 ND1 HIS B 557 15848 19644 15108 1600 -285 -202 N ATOM 539 CD2 HIS B 557 36.539 -10.089 11.559 1.00133.05 C ANISOU 539 CD2 HIS B 557 15646 19978 14928 2101 -482 -200 C ATOM 540 CE1 HIS B 557 36.632 -9.412 9.472 1.00135.64 C ANISOU 540 CE1 HIS B 557 15915 20191 15432 1703 -251 -310 C ATOM 541 NE2 HIS B 557 37.334 -9.958 10.447 1.00139.94 N ANISOU 541 NE2 HIS B 557 16320 20959 15892 2014 -377 -319 N ATOM 542 N CYS B 558 31.017 -11.354 12.838 1.00 84.95 N ANISOU 542 N CYS B 558 10855 12578 8845 1873 -243 274 N ATOM 543 CA CYS B 558 29.967 -11.392 13.835 1.00 91.21 C ANISOU 543 CA CYS B 558 11858 13199 9601 1829 -214 328 C ATOM 544 C CYS B 558 30.310 -12.405 14.910 1.00 86.65 C ANISOU 544 C CYS B 558 11460 12628 8836 2155 -213 446 C ATOM 545 O CYS B 558 31.000 -13.395 14.659 1.00 75.17 O ANISOU 545 O CYS B 558 10057 11180 7324 2428 -186 512 O ATOM 546 CB CYS B 558 28.612 -11.719 13.189 1.00 96.39 C ANISOU 546 CB CYS B 558 12713 13516 10395 1652 -68 331 C ATOM 547 SG CYS B 558 28.655 -13.062 11.980 1.00 71.64 S ANISOU 547 SG CYS B 558 9723 10187 7311 1771 81 364 S ATOM 548 N VAL B 559 29.834 -12.126 16.115 1.00 83.45 N ANISOU 548 N VAL B 559 11169 12215 8325 2135 -239 473 N ATOM 549 CA VAL B 559 30.038 -12.985 17.268 1.00 83.76 C ANISOU 549 CA VAL B 559 11446 12240 8141 2434 -238 603 C ATOM 550 C VAL B 559 28.702 -13.600 17.663 1.00 84.22 C ANISOU 550 C VAL B 559 11870 11922 8208 2345 -22 675 C ATOM 551 O VAL B 559 27.737 -12.866 17.900 1.00 72.27 O ANISOU 551 O VAL B 559 10355 10319 6786 2063 27 597 O ATOM 552 CB VAL B 559 30.632 -12.186 18.453 1.00 89.09 C ANISOU 552 CB VAL B 559 11981 13235 8633 2485 -434 562 C ATOM 553 CG1 VAL B 559 30.634 -13.018 19.741 1.00 86.69 C ANISOU 553 CG1 VAL B 559 12002 12885 8053 2780 -431 713 C ATOM 554 CG2 VAL B 559 32.040 -11.697 18.100 1.00 84.08 C ANISOU 554 CG2 VAL B 559 10962 12993 7992 2583 -630 458 C ATOM 555 N GLY B 560 28.641 -14.935 17.717 1.00 86.57 N ANISOU 555 N GLY B 560 12476 11990 8427 2577 128 807 N ATOM 556 CA GLY B 560 27.400 -15.641 18.015 1.00 85.43 C ANISOU 556 CA GLY B 560 12693 11459 8306 2469 388 854 C ATOM 557 C GLY B 560 26.389 -15.615 16.868 1.00 77.24 C ANISOU 557 C GLY B 560 11607 10196 7544 2160 536 732 C ATOM 558 O GLY B 560 25.191 -15.401 17.073 1.00 76.00 O ANISOU 558 O GLY B 560 11534 9850 7491 1902 673 657 O ATOM 559 N CYS B 561 26.870 -15.846 15.655 1.00 81.54 N ANISOU 559 N CYS B 561 12007 10773 8200 2191 508 696 N ATOM 560 CA CYS B 561 26.018 -15.740 14.468 1.00 74.66 C ANISOU 560 CA CYS B 561 11063 9746 7560 1914 595 567 C ATOM 561 C CYS B 561 24.893 -16.772 14.484 1.00 77.08 C ANISOU 561 C CYS B 561 11681 9675 7932 1823 871 554 C ATOM 562 O CYS B 561 25.129 -17.958 14.690 1.00 79.53 O ANISOU 562 O CYS B 561 12273 9798 8147 2032 1032 658 O ATOM 563 CB CYS B 561 26.848 -15.890 13.199 1.00 68.70 C ANISOU 563 CB CYS B 561 10140 9100 6863 1986 530 537 C ATOM 564 SG CYS B 561 25.939 -15.665 11.658 1.00 69.21 S ANISOU 564 SG CYS B 561 10111 9034 7153 1672 579 378 S ATOM 565 N LYS B 562 23.665 -16.300 14.271 1.00 79.32 N ANISOU 565 N LYS B 562 11907 9844 8388 1511 933 412 N ATOM 566 CA LYS B 562 22.503 -17.177 14.205 1.00 76.01 C ANISOU 566 CA LYS B 562 11717 9089 8073 1356 1206 334 C ATOM 567 C LYS B 562 21.886 -17.150 12.816 1.00 68.67 C ANISOU 567 C LYS B 562 10631 8107 7353 1145 1202 160 C ATOM 568 O LYS B 562 20.693 -17.401 12.656 1.00 67.20 O ANISOU 568 O LYS B 562 10487 7728 7318 916 1356 8 O ATOM 569 CB LYS B 562 21.456 -16.765 15.238 1.00 63.56 C ANISOU 569 CB LYS B 562 10205 7418 6527 1166 1313 272 C ATOM 570 CG LYS B 562 21.999 -16.591 16.638 1.00 81.40 C ANISOU 570 CG LYS B 562 12609 9768 8551 1344 1285 425 C ATOM 571 CD LYS B 562 22.662 -17.873 17.144 1.00 75.66 C ANISOU 571 CD LYS B 562 12255 8885 7606 1649 1433 617 C ATOM 572 CE LYS B 562 22.722 -17.861 18.656 1.00 79.39 C ANISOU 572 CE LYS B 562 12977 9352 7836 1765 1485 743 C ATOM 573 NZ LYS B 562 23.264 -16.565 19.146 1.00 88.02 N ANISOU 573 NZ LYS B 562 13784 10808 8852 1776 1193 731 N ATOM 574 N ASN B 563 22.696 -16.825 11.816 1.00 72.64 N ANISOU 574 N ASN B 563 10946 8797 7856 1215 1024 166 N ATOM 575 CA ASN B 563 22.216 -16.688 10.441 1.00 57.01 C ANISOU 575 CA ASN B 563 8827 6809 6025 1035 977 12 C ATOM 576 C ASN B 563 21.882 -18.036 9.811 1.00 56.77 C ANISOU 576 C ASN B 563 9007 6524 6038 1021 1206 -55 C ATOM 577 O ASN B 563 22.752 -18.893 9.660 1.00 70.45 O ANISOU 577 O ASN B 563 10889 8205 7672 1236 1293 44 O ATOM 578 CB ASN B 563 23.257 -15.964 9.617 1.00 61.24 C ANISOU 578 CB ASN B 563 9151 7606 6513 1110 761 49 C ATOM 579 CG ASN B 563 22.777 -15.601 8.224 1.00 63.00 C ANISOU 579 CG ASN B 563 9246 7850 6842 927 674 -90 C ATOM 580 OD1 ASN B 563 21.868 -16.219 7.650 1.00 64.70 O ANISOU 580 OD1 ASN B 563 9538 7892 7153 793 780 -224 O ATOM 581 ND2 ASN B 563 23.425 -14.604 7.658 1.00 54.19 N ANISOU 581 ND2 ASN B 563 7946 6952 5692 920 485 -68 N ATOM 582 N PRO B 564 20.602 -18.231 9.453 1.00 69.74 N ANISOU 582 N PRO B 564 10651 8006 7840 768 1311 -247 N ATOM 583 CA PRO B 564 20.162 -19.532 8.933 1.00 64.76 C ANISOU 583 CA PRO B 564 10228 7111 7266 703 1565 -355 C ATOM 584 C PRO B 564 20.482 -19.764 7.449 1.00 72.70 C ANISOU 584 C PRO B 564 11158 8178 8288 686 1490 -447 C ATOM 585 O PRO B 564 20.246 -20.870 6.962 1.00 75.21 O ANISOU 585 O PRO B 564 11655 8283 8640 641 1704 -546 O ATOM 586 CB PRO B 564 18.646 -19.513 9.169 1.00 71.56 C ANISOU 586 CB PRO B 564 11055 7828 8305 408 1688 -572 C ATOM 587 CG PRO B 564 18.266 -18.058 9.276 1.00 68.17 C ANISOU 587 CG PRO B 564 10323 7635 7943 315 1418 -613 C ATOM 588 CD PRO B 564 19.482 -17.307 9.745 1.00 64.96 C ANISOU 588 CD PRO B 564 9866 7442 7373 541 1230 -383 C ATOM 589 N HIS B 565 21.021 -18.770 6.743 1.00 66.00 N ANISOU 589 N HIS B 565 10079 7596 7402 710 1220 -422 N ATOM 590 CA HIS B 565 21.348 -18.957 5.312 1.00 69.12 C ANISOU 590 CA HIS B 565 10432 8054 7777 686 1160 -507 C ATOM 591 C HIS B 565 22.762 -19.444 5.080 1.00 76.55 C ANISOU 591 C HIS B 565 11454 9044 8587 938 1206 -363 C ATOM 592 O HIS B 565 23.637 -19.244 5.928 1.00 85.41 O ANISOU 592 O HIS B 565 12570 10258 9624 1148 1173 -188 O ATOM 593 CB HIS B 565 21.163 -17.664 4.535 1.00 71.35 C ANISOU 593 CB HIS B 565 10471 8570 8070 570 874 -561 C ATOM 594 CG HIS B 565 19.863 -16.991 4.805 1.00 76.76 C ANISOU 594 CG HIS B 565 11025 9249 8891 376 779 -693 C ATOM 595 ND1 HIS B 565 18.650 -17.637 4.685 1.00 82.61 N ANISOU 595 ND1 HIS B 565 11796 9825 9767 194 904 -907 N ATOM 596 CD2 HIS B 565 19.583 -15.728 5.207 1.00 61.75 C ANISOU 596 CD2 HIS B 565 8948 7486 7029 338 583 -663 C ATOM 597 CE1 HIS B 565 17.677 -16.801 4.993 1.00 73.58 C ANISOU 597 CE1 HIS B 565 10476 8737 8746 66 776 -1008 C ATOM 598 NE2 HIS B 565 18.215 -15.638 5.323 1.00 67.52 N ANISOU 598 NE2 HIS B 565 9595 8138 7920 160 584 -853 N ATOM 599 N LYS B 566 22.995 -20.028 3.903 1.00 78.48 N ANISOU 599 N LYS B 566 11749 9256 8814 919 1266 -459 N ATOM 600 CA LYS B 566 24.166 -20.875 3.719 1.00 90.33 C ANISOU 600 CA LYS B 566 13376 10716 10230 1162 1403 -368 C ATOM 601 C LYS B 566 25.124 -20.557 2.554 1.00104.42 C ANISOU 601 C LYS B 566 15041 12701 11935 1210 1308 -382 C ATOM 602 O LYS B 566 26.266 -21.029 2.560 1.00118.38 O ANISOU 602 O LYS B 566 16839 14500 13641 1449 1389 -295 O ATOM 603 CB LYS B 566 23.692 -22.338 3.615 1.00 83.36 C ANISOU 603 CB LYS B 566 12774 9499 9399 1145 1705 -465 C ATOM 604 CG LYS B 566 23.450 -22.988 5.002 1.00 80.73 C ANISOU 604 CG LYS B 566 12666 8930 9076 1259 1898 -350 C ATOM 605 CD LYS B 566 22.005 -23.414 5.224 1.00 75.53 C ANISOU 605 CD LYS B 566 12127 8027 8546 978 2074 -524 C ATOM 606 CE LYS B 566 21.766 -23.921 6.646 1.00 87.14 C ANISOU 606 CE LYS B 566 13845 9265 9998 1068 2280 -395 C ATOM 607 NZ LYS B 566 21.601 -22.838 7.664 1.00 85.09 N ANISOU 607 NZ LYS B 566 13433 9186 9713 1065 2096 -289 N ATOM 608 N GLU B 567 24.710 -19.765 1.571 1.00 98.63 N ANISOU 608 N GLU B 567 14179 12103 11192 1002 1146 -491 N ATOM 609 CA GLU B 567 25.633 -19.465 0.470 1.00119.21 C ANISOU 609 CA GLU B 567 16716 14882 13698 1029 1096 -501 C ATOM 610 C GLU B 567 25.663 -17.985 0.116 1.00131.73 C ANISOU 610 C GLU B 567 18116 16702 15232 908 850 -471 C ATOM 611 O GLU B 567 24.664 -17.426 -0.331 1.00140.75 O ANISOU 611 O GLU B 567 19237 17850 16392 717 711 -560 O ATOM 612 CB GLU B 567 25.273 -20.293 -0.770 1.00118.09 C ANISOU 612 CB GLU B 567 16715 14619 13533 910 1217 -684 C ATOM 613 CG GLU B 567 25.427 -21.795 -0.557 1.00134.47 C ANISOU 613 CG GLU B 567 19005 16435 15654 1038 1506 -719 C ATOM 614 CD GLU B 567 25.181 -22.603 -1.814 1.00159.32 C ANISOU 614 CD GLU B 567 22291 19472 18773 911 1643 -923 C ATOM 615 OE1 GLU B 567 24.790 -22.005 -2.839 1.00158.85 O ANISOU 615 OE1 GLU B 567 22164 19551 18641 718 1490 -1040 O ATOM 616 OE2 GLU B 567 25.381 -23.838 -1.777 1.00176.46 O ANISOU 616 OE2 GLU B 567 24657 21409 20979 1013 1906 -967 O TER 617 GLU B 567 ATOM 618 O5' DG H 1 35.386 -1.855 24.876 1.00121.61 O ANISOU 618 O5' DG H 1 13879 20246 12081 1047 -1733 -1244 O ATOM 619 C5' DG H 1 36.438 -0.896 24.965 1.00118.86 C ANISOU 619 C5' DG H 1 13124 20282 11757 849 -1838 -1558 C ATOM 620 C4' DG H 1 35.904 0.533 24.924 1.00113.65 C ANISOU 620 C4' DG H 1 12442 19457 11282 378 -1667 -1743 C ATOM 621 O4' DG H 1 36.002 1.064 23.579 1.00104.58 O ANISOU 621 O4' DG H 1 11157 18130 10448 136 -1491 -1779 O ATOM 622 C3' DG H 1 34.445 0.720 25.307 1.00112.28 C ANISOU 622 C3' DG H 1 12652 18874 11136 265 -1504 -1607 C ATOM 623 O3' DG H 1 34.279 2.047 25.776 1.00115.26 O ANISOU 623 O3' DG H 1 12958 19263 11572 -94 -1433 -1850 O ATOM 624 C2' DG H 1 33.741 0.516 23.966 1.00 95.48 C ANISOU 624 C2' DG H 1 10646 16334 9297 210 -1309 -1421 C ATOM 625 C1' DG H 1 34.708 1.205 23.009 1.00 91.01 C ANISOU 625 C1' DG H 1 9745 15919 8915 11 -1284 -1598 C ATOM 626 N9 DG H 1 34.734 0.626 21.657 1.00 81.69 N ANISOU 626 N9 DG H 1 8573 14556 7907 92 -1196 -1437 N ATOM 627 C8 DG H 1 34.702 -0.710 21.326 1.00 76.17 C ANISOU 627 C8 DG H 1 7992 13807 7143 431 -1240 -1215 C ATOM 628 N7 DG H 1 34.756 -0.930 20.038 1.00 93.80 N ANISOU 628 N7 DG H 1 10205 15881 9556 407 -1132 -1136 N ATOM 629 C5 DG H 1 34.839 0.341 19.478 1.00 86.19 C ANISOU 629 C5 DG H 1 9120 14854 8774 40 -1011 -1298 C ATOM 630 C6 DG H 1 34.930 0.736 18.119 1.00 88.21 C ANISOU 630 C6 DG H 1 9345 14939 9231 -142 -857 -1293 C ATOM 631 O6 DG H 1 34.946 0.018 17.103 1.00100.84 O ANISOU 631 O6 DG H 1 10999 16422 10892 -21 -803 -1155 O ATOM 632 N1 DG H 1 34.997 2.120 17.986 1.00 83.39 N ANISOU 632 N1 DG H 1 8665 14279 8742 -506 -744 -1472 N ATOM 633 C2 DG H 1 34.983 3.011 19.028 1.00 86.68 C ANISOU 633 C2 DG H 1 9024 14801 9111 -684 -772 -1655 C ATOM 634 N2 DG H 1 35.059 4.308 18.690 1.00 87.95 N ANISOU 634 N2 DG H 1 9149 14851 9417 -1040 -619 -1816 N ATOM 635 N3 DG H 1 34.899 2.659 20.315 1.00 80.62 N ANISOU 635 N3 DG H 1 8264 14218 8149 -526 -925 -1681 N ATOM 636 C4 DG H 1 34.830 1.311 20.461 1.00 84.35 C ANISOU 636 C4 DG H 1 8827 14738 8486 -159 -1040 -1486 C ATOM 637 P DC H 2 32.973 2.485 26.589 1.00135.27 P ANISOU 637 P DC H 2 15811 21504 14083 -235 -1297 -1825 P ATOM 638 OP1 DC H 2 33.359 2.515 28.020 1.00140.02 O ANISOU 638 OP1 DC H 2 16415 22444 14343 -166 -1463 -1968 O ATOM 639 OP2 DC H 2 31.828 1.665 26.130 1.00133.01 O ANISOU 639 OP2 DC H 2 15834 20812 13893 -90 -1162 -1536 O ATOM 640 O5' DC H 2 32.717 3.975 26.082 1.00103.47 O ANISOU 640 O5' DC H 2 11682 17283 10349 -662 -1112 -2025 O ATOM 641 C5' DC H 2 33.720 4.650 25.346 1.00 97.39 C ANISOU 641 C5' DC H 2 10602 16678 9722 -855 -1108 -2209 C ATOM 642 C4' DC H 2 33.106 5.495 24.245 1.00 92.94 C ANISOU 642 C4' DC H 2 10115 15707 9492 -1117 -875 -2181 C ATOM 643 O4' DC H 2 33.172 4.794 22.964 1.00102.58 O ANISOU 643 O4' DC H 2 11342 16790 10843 -972 -847 -1971 O ATOM 644 C3' DC H 2 31.632 5.859 24.449 1.00 98.78 C ANISOU 644 C3' DC H 2 11159 16023 10350 -1190 -721 -2084 C ATOM 645 O3' DC H 2 31.452 7.225 24.128 1.00108.16 O ANISOU 645 O3' DC H 2 12335 17007 11755 -1523 -552 -2248 O ATOM 646 C2' DC H 2 30.912 4.955 23.447 1.00 93.56 C ANISOU 646 C2' DC H 2 10665 15070 9812 -983 -679 -1786 C ATOM 647 C1' DC H 2 31.927 4.910 22.318 1.00 96.37 C ANISOU 647 C1' DC H 2 10816 15547 10252 -1005 -696 -1791 C ATOM 648 N1 DC H 2 31.763 3.750 21.415 1.00 98.08 N ANISOU 648 N1 DC H 2 11112 15658 10495 -751 -720 -1540 N ATOM 649 C2 DC H 2 31.780 3.940 20.020 1.00 99.31 C ANISOU 649 C2 DC H 2 11270 15617 10847 -831 -619 -1463 C ATOM 650 O2 DC H 2 31.926 5.081 19.565 1.00 97.84 O ANISOU 650 O2 DC H 2 11042 15327 10805 -1105 -503 -1587 O ATOM 651 N3 DC H 2 31.634 2.859 19.207 1.00 90.59 N ANISOU 651 N3 DC H 2 10240 14427 9753 -609 -639 -1257 N ATOM 652 C4 DC H 2 31.479 1.639 19.742 1.00 92.18 C ANISOU 652 C4 DC H 2 10521 14707 9798 -321 -736 -1126 C ATOM 653 N4 DC H 2 31.343 0.602 18.906 1.00 92.81 N ANISOU 653 N4 DC H 2 10683 14679 9903 -125 -730 -943 N ATOM 654 C5 DC H 2 31.462 1.429 21.159 1.00 90.40 C ANISOU 654 C5 DC H 2 10323 14659 9365 -225 -830 -1179 C ATOM 655 C6 DC H 2 31.603 2.503 21.946 1.00 94.17 C ANISOU 655 C6 DC H 2 10717 15246 9817 -445 -827 -1388 C ATOM 656 P DG H 3 30.318 8.102 24.842 1.00140.43 P ANISOU 656 P DG H 3 16623 20807 15928 -1690 -408 -2333 P ATOM 657 OP1 DG H 3 30.998 9.243 25.493 1.00143.75 O ANISOU 657 OP1 DG H 3 16895 21408 16314 -1990 -368 -2660 O ATOM 658 OP2 DG H 3 29.456 7.193 25.629 1.00139.90 O ANISOU 658 OP2 DG H 3 16748 20698 15711 -1459 -454 -2188 O ATOM 659 O5' DG H 3 29.489 8.682 23.610 1.00107.78 O ANISOU 659 O5' DG H 3 12631 16204 12116 -1776 -236 -2206 O ATOM 660 C5' DG H 3 30.143 9.507 22.666 1.00103.90 C ANISOU 660 C5' DG H 3 12051 15648 11779 -1986 -141 -2284 C ATOM 661 C4' DG H 3 29.480 9.401 21.310 1.00103.52 C ANISOU 661 C4' DG H 3 12160 15239 11933 -1901 -72 -2048 C ATOM 662 O4' DG H 3 29.604 8.043 20.800 1.00 98.50 O ANISOU 662 O4' DG H 3 11499 14721 11206 -1626 -201 -1834 O ATOM 663 C3' DG H 3 27.980 9.706 21.294 1.00102.79 C ANISOU 663 C3' DG H 3 12301 14743 12012 -1846 9 -1948 C ATOM 664 O3' DG H 3 27.668 10.370 20.097 1.00117.98 O ANISOU 664 O3' DG H 3 14347 16338 14141 -1908 109 -1858 O ATOM 665 C2' DG H 3 27.370 8.314 21.297 1.00 96.62 C ANISOU 665 C2' DG H 3 11573 13987 11151 -1548 -105 -1738 C ATOM 666 C1' DG H 3 28.339 7.612 20.378 1.00 89.15 C ANISOU 666 C1' DG H 3 10516 13222 10136 -1462 -185 -1632 C ATOM 667 N9 DG H 3 28.296 6.167 20.450 1.00 84.63 N ANISOU 667 N9 DG H 3 9944 12788 9423 -1191 -304 -1470 N ATOM 668 C8 DG H 3 28.192 5.383 21.575 1.00 75.64 C ANISOU 668 C8 DG H 3 8821 11827 8092 -1044 -380 -1468 C ATOM 669 N7 DG H 3 28.176 4.104 21.314 1.00 80.63 N ANISOU 669 N7 DG H 3 9494 12507 8635 -801 -452 -1290 N ATOM 670 C5 DG H 3 28.276 4.045 19.921 1.00 83.26 C ANISOU 670 C5 DG H 3 9816 12705 9115 -796 -430 -1184 C ATOM 671 C6 DG H 3 28.320 2.933 19.056 1.00 72.72 C ANISOU 671 C6 DG H 3 8514 11346 7770 -599 -469 -1005 C ATOM 672 O6 DG H 3 28.277 1.738 19.353 1.00 89.00 O ANISOU 672 O6 DG H 3 10630 13481 9704 -379 -523 -894 O ATOM 673 N1 DG H 3 28.432 3.317 17.717 1.00 75.10 N ANISOU 673 N1 DG H 3 8813 11504 8217 -680 -423 -957 N ATOM 674 C2 DG H 3 28.494 4.624 17.277 1.00 80.98 C ANISOU 674 C2 DG H 3 9555 12121 9094 -913 -339 -1052 C ATOM 675 N2 DG H 3 28.603 4.812 15.952 1.00 75.80 N ANISOU 675 N2 DG H 3 8951 11321 8529 -953 -293 -970 N ATOM 676 N3 DG H 3 28.462 5.673 18.086 1.00 83.08 N ANISOU 676 N3 DG H 3 9797 12385 9386 -1098 -288 -1219 N ATOM 677 C4 DG H 3 28.348 5.308 19.384 1.00 82.04 C ANISOU 677 C4 DG H 3 9638 12414 9120 -1030 -342 -1284 C ATOM 678 P DC H 4 26.766 11.694 20.096 1.00126.95 P ANISOU 678 P DC H 4 15664 17075 15497 -2044 266 -1930 P ATOM 679 OP1 DC H 4 27.673 12.854 20.272 1.00133.95 O ANISOU 679 OP1 DC H 4 16503 17994 16396 -2357 406 -2155 O ATOM 680 OP2 DC H 4 25.627 11.470 21.018 1.00113.45 O ANISOU 680 OP2 DC H 4 14011 15278 13816 -1927 253 -1947 O ATOM 681 O5' DC H 4 26.224 11.745 18.600 1.00104.75 O ANISOU 681 O5' DC H 4 13022 13938 12841 -1927 275 -1702 O ATOM 682 C5' DC H 4 27.127 11.515 17.539 1.00103.75 C ANISOU 682 C5' DC H 4 12870 13893 12657 -1957 270 -1611 C ATOM 683 C4' DC H 4 26.585 10.472 16.577 1.00 98.40 C ANISOU 683 C4' DC H 4 12257 13152 11978 -1696 148 -1364 C ATOM 684 O4' DC H 4 26.605 9.169 17.189 1.00 95.92 O ANISOU 684 O4' DC H 4 11806 13111 11528 -1523 18 -1329 O ATOM 685 C3' DC H 4 25.141 10.697 16.126 1.00 92.62 C ANISOU 685 C3' DC H 4 11714 12058 11419 -1536 124 -1240 C ATOM 686 O3' DC H 4 25.142 11.071 14.786 1.00 89.12 O ANISOU 686 O3' DC H 4 11440 11397 11025 -1520 144 -1100 O ATOM 687 C2' DC H 4 24.448 9.334 16.329 1.00 94.61 C ANISOU 687 C2' DC H 4 11899 12420 11629 -1296 -14 -1140 C ATOM 688 C1' DC H 4 25.626 8.388 16.551 1.00 91.60 C ANISOU 688 C1' DC H 4 11356 12406 11040 -1298 -64 -1144 C ATOM 689 N1 DC H 4 25.315 7.211 17.427 1.00 87.58 N ANISOU 689 N1 DC H 4 10772 12079 10427 -1139 -144 -1129 N ATOM 690 C2 DC H 4 25.225 5.922 16.872 1.00 86.73 C ANISOU 690 C2 DC H 4 10666 12033 10255 -945 -228 -973 C ATOM 691 O2 DC H 4 25.390 5.773 15.657 1.00 78.20 O ANISOU 691 O2 DC H 4 9632 10879 9202 -907 -249 -861 O ATOM 692 N3 DC H 4 24.958 4.873 17.691 1.00 76.40 N ANISOU 692 N3 DC H 4 9337 10848 8843 -810 -265 -953 N ATOM 693 C4 DC H 4 24.791 5.077 18.996 1.00 70.90 C ANISOU 693 C4 DC H 4 8625 10229 8086 -860 -231 -1074 C ATOM 694 N4 DC H 4 24.533 4.022 19.765 1.00 74.85 N ANISOU 694 N4 DC H 4 9158 10825 8457 -724 -247 -1034 N ATOM 695 C5 DC H 4 24.878 6.372 19.571 1.00 76.59 C ANISOU 695 C5 DC H 4 9326 10913 8863 -1058 -160 -1244 C ATOM 696 C6 DC H 4 25.142 7.397 18.762 1.00 81.51 C ANISOU 696 C6 DC H 4 9963 11398 9610 -1194 -115 -1269 C ATOM 697 P DG H 5 23.915 11.907 14.199 1.00147.61 P ANISOU 697 P DG H 5 19080 18385 18619 -1409 145 -1014 P ATOM 698 OP1 DG H 5 24.452 12.826 13.171 1.00144.63 O ANISOU 698 OP1 DG H 5 18917 17796 18238 -1529 258 -946 O ATOM 699 OP2 DG H 5 23.159 12.428 15.360 1.00147.98 O ANISOU 699 OP2 DG H 5 19088 18344 18794 -1423 189 -1168 O ATOM 700 O5' DG H 5 23.024 10.790 13.492 1.00 97.11 O ANISOU 700 O5' DG H 5 12686 11982 12230 -1128 -38 -843 O ATOM 701 C5' DG H 5 23.650 9.754 12.742 1.00 87.05 C ANISOU 701 C5' DG H 5 11368 10901 10806 -1075 -107 -728 C ATOM 702 C4' DG H 5 22.691 8.601 12.489 1.00 89.16 C ANISOU 702 C4' DG H 5 11591 11191 11096 -839 -260 -639 C ATOM 703 O4' DG H 5 22.722 7.669 13.604 1.00 90.54 O ANISOU 703 O4' DG H 5 11584 11600 11218 -819 -269 -720 O ATOM 704 C3' DG H 5 21.208 8.979 12.319 1.00 99.57 C ANISOU 704 C3' DG H 5 12986 12245 12603 -675 -343 -629 C ATOM 705 O3' DG H 5 20.609 8.055 11.436 1.00105.37 O ANISOU 705 O3' DG H 5 13728 12983 13324 -493 -486 -522 O ATOM 706 C2' DG H 5 20.671 8.766 13.726 1.00 97.28 C ANISOU 706 C2' DG H 5 12540 12030 12391 -688 -301 -781 C ATOM 707 C1' DG H 5 21.395 7.473 14.063 1.00 90.28 C ANISOU 707 C1' DG H 5 11530 11444 11328 -696 -312 -761 C ATOM 708 N9 DG H 5 21.417 7.136 15.484 1.00 80.54 N ANISOU 708 N9 DG H 5 10182 10367 10054 -749 -247 -885 N ATOM 709 C8 DG H 5 21.342 8.001 16.547 1.00 78.97 C ANISOU 709 C8 DG H 5 9963 10136 9905 -873 -150 -1037 C ATOM 710 N7 DG H 5 21.387 7.400 17.708 1.00 81.90 N ANISOU 710 N7 DG H 5 10256 10683 10178 -890 -113 -1118 N ATOM 711 C5 DG H 5 21.496 6.046 17.383 1.00 75.80 C ANISOU 711 C5 DG H 5 9460 10046 9296 -758 -183 -999 C ATOM 712 C6 DG H 5 21.595 4.899 18.221 1.00 77.14 C ANISOU 712 C6 DG H 5 9599 10396 9313 -694 -172 -993 C ATOM 713 O6 DG H 5 21.599 4.841 19.455 1.00 83.11 O ANISOU 713 O6 DG H 5 10350 11253 9977 -740 -107 -1089 O ATOM 714 N1 DG H 5 21.691 3.728 17.484 1.00 65.25 N ANISOU 714 N1 DG H 5 8108 8940 7746 -559 -234 -857 N ATOM 715 C2 DG H 5 21.703 3.656 16.121 1.00 74.16 C ANISOU 715 C2 DG H 5 9260 9982 8937 -504 -306 -753 C ATOM 716 N2 DG H 5 21.814 2.424 15.600 1.00 61.98 N ANISOU 716 N2 DG H 5 7732 8502 7315 -384 -342 -650 N ATOM 717 N3 DG H 5 21.619 4.717 15.317 1.00 81.25 N ANISOU 717 N3 DG H 5 10197 10726 9948 -559 -330 -749 N ATOM 718 C4 DG H 5 21.515 5.874 16.021 1.00 75.36 C ANISOU 718 C4 DG H 5 9449 9905 9278 -680 -263 -869 C ATOM 719 P DC H 6 19.742 8.529 10.175 1.00123.42 P ANISOU 719 P DC H 6 16190 15021 15683 -320 -621 -414 P ATOM 720 OP1 DC H 6 20.644 9.149 9.179 1.00123.33 O ANISOU 720 OP1 DC H 6 16398 14928 15535 -401 -572 -289 O ATOM 721 OP2 DC H 6 18.575 9.268 10.711 1.00124.75 O ANISOU 721 OP2 DC H 6 16335 14993 16072 -225 -649 -512 O ATOM 722 O5' DC H 6 19.259 7.141 9.553 1.00103.01 O ANISOU 722 O5' DC H 6 13525 12564 13050 -172 -763 -365 O ATOM 723 C5' DC H 6 20.201 6.057 9.408 1.00 91.77 C ANISOU 723 C5' DC H 6 12047 11370 11453 -235 -723 -320 C ATOM 724 C4' DC H 6 19.553 4.724 9.753 1.00 78.37 C ANISOU 724 C4' DC H 6 10198 9790 9787 -144 -770 -374 C ATOM 725 O4' DC H 6 19.672 4.471 11.186 1.00 79.15 O ANISOU 725 O4' DC H 6 10163 9997 9912 -222 -656 -480 O ATOM 726 C3' DC H 6 18.065 4.654 9.439 1.00 83.14 C ANISOU 726 C3' DC H 6 10764 10261 10562 9 -904 -431 C ATOM 727 O3' DC H 6 17.749 3.405 8.903 1.00 91.12 O ANISOU 727 O3' DC H 6 11727 11363 11531 80 -969 -427 O ATOM 728 C2' DC H 6 17.409 4.851 10.806 1.00 86.95 C ANISOU 728 C2' DC H 6 11106 10720 11210 -26 -815 -584 C ATOM 729 C1' DC H 6 18.406 4.161 11.719 1.00 78.10 C ANISOU 729 C1' DC H 6 9936 9794 9944 -149 -674 -586 C ATOM 730 N1 DC H 6 18.335 4.627 13.163 1.00 79.25 N ANISOU 730 N1 DC H 6 10011 9950 10149 -244 -547 -708 N ATOM 731 C2 DC H 6 18.428 3.686 14.196 1.00 75.27 C ANISOU 731 C2 DC H 6 9441 9586 9574 -278 -449 -759 C ATOM 732 O2 DC H 6 18.572 2.496 13.915 1.00 73.43 O ANISOU 732 O2 DC H 6 9208 9445 9248 -223 -457 -700 O ATOM 733 N3 DC H 6 18.346 4.104 15.482 1.00 77.48 N ANISOU 733 N3 DC H 6 9685 9882 9873 -365 -337 -872 N ATOM 734 C4 DC H 6 18.180 5.390 15.763 1.00 66.64 C ANISOU 734 C4 DC H 6 8321 8390 8611 -428 -310 -950 C ATOM 735 N4 DC H 6 18.120 5.734 17.055 1.00 68.37 N ANISOU 735 N4 DC H 6 8511 8639 8830 -526 -188 -1079 N ATOM 736 C5 DC H 6 18.076 6.377 14.735 1.00 67.50 C ANISOU 736 C5 DC H 6 8501 8329 8816 -389 -397 -898 C ATOM 737 C6 DC H 6 18.153 5.953 13.455 1.00 82.05 C ANISOU 737 C6 DC H 6 10399 10161 10615 -292 -519 -769 C ATOM 738 P DG H 7 16.507 3.279 7.904 1.00112.19 P ANISOU 738 P DG H 7 14388 13940 14299 243 -1167 -462 P ATOM 739 OP1 DG H 7 17.056 3.224 6.531 1.00110.28 O ANISOU 739 OP1 DG H 7 14324 13707 13871 285 -1264 -321 O ATOM 740 OP2 DG H 7 15.560 4.351 8.292 1.00116.60 O ANISOU 740 OP2 DG H 7 14898 14340 15063 318 -1223 -550 O ATOM 741 O5' DG H 7 15.832 1.876 8.285 1.00 89.11 O ANISOU 741 O5' DG H 7 11297 11114 11446 243 -1130 -591 O ATOM 742 C5' DG H 7 16.492 0.971 9.157 1.00 82.22 C ANISOU 742 C5' DG H 7 10390 10356 10492 140 -951 -592 C ATOM 743 C4' DG H 7 15.528 0.427 10.195 1.00 79.26 C ANISOU 743 C4' DG H 7 9869 9964 10282 112 -847 -758 C ATOM 744 O4' DG H 7 15.669 1.170 11.452 1.00 78.81 O ANISOU 744 O4' DG H 7 9785 9885 10274 39 -727 -799 O ATOM 745 C3' DG H 7 14.036 0.535 9.831 1.00 83.39 C ANISOU 745 C3' DG H 7 10253 10400 11030 191 -963 -923 C ATOM 746 O3' DG H 7 13.349 -0.509 10.466 1.00 92.27 O ANISOU 746 O3' DG H 7 11265 11542 12251 127 -824 -1073 O ATOM 747 C2' DG H 7 13.657 1.853 10.500 1.00 78.66 C ANISOU 747 C2' DG H 7 9608 9697 10581 206 -961 -979 C ATOM 748 C1' DG H 7 14.383 1.658 11.824 1.00 81.87 C ANISOU 748 C1' DG H 7 10043 10162 10903 68 -740 -967 C ATOM 749 N9 DG H 7 14.514 2.868 12.647 1.00 72.83 N ANISOU 749 N9 DG H 7 8904 8948 9818 24 -680 -995 N ATOM 750 C8 DG H 7 14.455 4.176 12.224 1.00 77.54 C ANISOU 750 C8 DG H 7 9551 9422 10487 86 -782 -967 C ATOM 751 N7 DG H 7 14.593 5.047 13.191 1.00 77.32 N ANISOU 751 N7 DG H 7 9527 9339 10512 8 -668 -1027 N ATOM 752 C5 DG H 7 14.730 4.263 14.333 1.00 74.48 C ANISOU 752 C5 DG H 7 9114 9092 10093 -105 -496 -1097 C ATOM 753 C6 DG H 7 14.912 4.643 15.682 1.00 74.77 C ANISOU 753 C6 DG H 7 9143 9147 10118 -224 -327 -1188 C ATOM 754 O6 DG H 7 14.987 5.786 16.151 1.00 81.24 O ANISOU 754 O6 DG H 7 9984 9883 11002 -272 -284 -1246 O ATOM 755 N1 DG H 7 15.013 3.534 16.529 1.00 74.01 N ANISOU 755 N1 DG H 7 9043 9171 9908 -291 -190 -1214 N ATOM 756 C2 DG H 7 14.953 2.222 16.116 1.00 75.87 C ANISOU 756 C2 DG H 7 9284 9471 10071 -252 -195 -1160 C ATOM 757 N2 DG H 7 15.072 1.289 17.073 1.00 75.34 N ANISOU 757 N2 DG H 7 9267 9477 9884 -312 -31 -1176 N ATOM 758 N3 DG H 7 14.771 1.850 14.854 1.00 67.39 N ANISOU 758 N3 DG H 7 8196 8378 9030 -158 -340 -1097 N ATOM 759 C4 DG H 7 14.681 2.922 14.016 1.00 73.06 C ANISOU 759 C4 DG H 7 8916 9009 9837 -87 -496 -1067 C ATOM 760 P DC H 8 12.603 -1.666 9.650 1.00 92.91 P ANISOU 760 P DC H 8 11271 11650 12381 141 -873 -1188 P ATOM 761 OP1 DC H 8 13.579 -2.337 8.752 1.00 97.38 O ANISOU 761 OP1 DC H 8 11994 12286 12719 155 -913 -1029 O ATOM 762 OP2 DC H 8 11.390 -1.042 9.081 1.00 87.27 O ANISOU 762 OP2 DC H 8 10387 10895 11875 242 -1069 -1347 O ATOM 763 O5' DC H 8 12.199 -2.689 10.822 1.00 77.03 O ANISOU 763 O5' DC H 8 9209 9618 10440 7 -596 -1320 O ATOM 764 C5' DC H 8 13.220 -3.189 11.687 1.00 77.12 C ANISOU 764 C5' DC H 8 9379 9657 10265 -55 -405 -1183 C ATOM 765 C4' DC H 8 12.748 -3.343 13.130 1.00 78.17 C ANISOU 765 C4' DC H 8 9489 9736 10477 -157 -165 -1295 C ATOM 766 O4' DC H 8 12.781 -2.071 13.830 1.00 82.60 O ANISOU 766 O4' DC H 8 10008 10285 11092 -157 -185 -1303 O ATOM 767 C3' DC H 8 11.343 -3.891 13.338 1.00 80.30 C ANISOU 767 C3' DC H 8 9604 9925 10981 -243 -40 -1551 C ATOM 768 O3' DC H 8 11.382 -4.746 14.463 1.00 77.42 O ANISOU 768 O3' DC H 8 9363 9508 10545 -356 257 -1568 O ATOM 769 C2' DC H 8 10.525 -2.617 13.632 1.00 85.89 C ANISOU 769 C2' DC H 8 10124 10598 11913 -218 -119 -1696 C ATOM 770 C1' DC H 8 11.524 -1.837 14.458 1.00 86.03 C ANISOU 770 C1' DC H 8 10282 10636 11769 -217 -80 -1532 C ATOM 771 N1 DC H 8 11.327 -0.360 14.492 1.00 90.08 N ANISOU 771 N1 DC H 8 10708 11113 12407 -153 -210 -1563 N ATOM 772 C2 DC H 8 11.239 0.309 15.729 1.00 84.43 C ANISOU 772 C2 DC H 8 9990 10357 11734 -227 -53 -1634 C ATOM 773 O2 DC H 8 11.246 -0.350 16.778 1.00 88.42 O ANISOU 773 O2 DC H 8 10564 10867 12163 -342 183 -1676 O ATOM 774 N3 DC H 8 11.134 1.660 15.736 1.00 71.39 N ANISOU 774 N3 DC H 8 8287 8646 10192 -168 -154 -1658 N ATOM 775 C4 DC H 8 11.132 2.337 14.579 1.00 83.24 C ANISOU 775 C4 DC H 8 9767 10116 11743 -28 -400 -1589 C ATOM 776 N4 DC H 8 11.025 3.673 14.627 1.00 81.00 N ANISOU 776 N4 DC H 8 9476 9734 11568 38 -472 -1604 N ATOM 777 C5 DC H 8 11.233 1.675 13.320 1.00 82.61 C ANISOU 777 C5 DC H 8 9707 10090 11593 53 -572 -1503 C ATOM 778 C6 DC H 8 11.342 0.344 13.324 1.00 90.99 C ANISOU 778 C6 DC H 8 10792 11221 12558 -20 -469 -1501 C ATOM 779 P DG H 9 10.236 -5.835 14.704 1.00 95.74 P ANISOU 779 P DG H 9 11621 11725 13030 -502 501 -1804 P ATOM 780 OP1 DG H 9 10.885 -7.058 15.230 1.00100.61 O ANISOU 780 OP1 DG H 9 12512 12284 13430 -548 738 -1674 O ATOM 781 OP2 DG H 9 9.424 -5.866 13.471 1.00102.87 O ANISOU 781 OP2 DG H 9 12305 12657 14125 -476 309 -1972 O ATOM 782 O5' DG H 9 9.302 -5.197 15.829 1.00112.03 O ANISOU 782 O5' DG H 9 13553 13727 15287 -604 673 -2007 O ATOM 783 C5' DG H 9 9.840 -4.810 17.076 1.00 98.75 C ANISOU 783 C5' DG H 9 12030 12035 13457 -632 821 -1906 C ATOM 784 C4' DG H 9 8.802 -4.056 17.878 1.00 89.52 C ANISOU 784 C4' DG H 9 10683 10810 12521 -722 950 -2145 C ATOM 785 O4' DG H 9 8.800 -2.658 17.479 1.00 91.87 O ANISOU 785 O4' DG H 9 10814 11156 12935 -600 687 -2147 O ATOM 786 C3' DG H 9 7.366 -4.545 17.690 1.00 89.82 C ANISOU 786 C3' DG H 9 10486 10778 12866 -844 1092 -2468 C ATOM 787 O3' DG H 9 6.696 -4.484 18.904 1.00 96.57 O ANISOU 787 O3' DG H 9 11331 11548 13813 -999 1406 -2646 O ATOM 788 C2' DG H 9 6.784 -3.526 16.718 1.00 82.91 C ANISOU 788 C2' DG H 9 9301 9966 12236 -704 768 -2587 C ATOM 789 C1' DG H 9 7.482 -2.267 17.171 1.00 80.09 C ANISOU 789 C1' DG H 9 9020 9628 11783 -603 654 -2428 C ATOM 790 N9 DG H 9 7.524 -1.235 16.144 1.00 81.94 N ANISOU 790 N9 DG H 9 9125 9905 12105 -413 303 -2379 N ATOM 791 C8 DG H 9 7.373 -1.405 14.786 1.00 70.35 C ANISOU 791 C8 DG H 9 7563 8489 10676 -293 36 -2366 C ATOM 792 N7 DG H 9 7.442 -0.287 14.112 1.00 73.13 N ANISOU 792 N7 DG H 9 7863 8847 11077 -116 -241 -2300 N ATOM 793 C5 DG H 9 7.651 0.687 15.091 1.00 75.04 C ANISOU 793 C5 DG H 9 8151 9025 11335 -132 -138 -2281 C ATOM 794 C6 DG H 9 7.817 2.093 14.974 1.00 79.27 C ANISOU 794 C6 DG H 9 8695 9502 11923 4 -298 -2218 C ATOM 795 O6 DG H 9 7.804 2.789 13.955 1.00 87.82 O ANISOU 795 O6 DG H 9 9765 10566 13037 186 -571 -2143 O ATOM 796 N1 DG H 9 8.007 2.692 16.211 1.00 81.51 N ANISOU 796 N1 DG H 9 9036 9728 12204 -93 -91 -2250 N ATOM 797 C2 DG H 9 8.034 2.026 17.409 1.00 77.16 C ANISOU 797 C2 DG H 9 8545 9190 11581 -282 214 -2321 C ATOM 798 N2 DG H 9 8.227 2.779 18.498 1.00 77.03 N ANISOU 798 N2 DG H 9 8593 9128 11547 -355 369 -2356 N ATOM 799 N3 DG H 9 7.894 0.714 17.533 1.00 67.16 N ANISOU 799 N3 DG H 9 7306 7963 10247 -395 368 -2354 N ATOM 800 C4 DG H 9 7.709 0.112 16.342 1.00 72.30 C ANISOU 800 C4 DG H 9 7886 8659 10927 -316 186 -2336 C ATOM 801 P DC H 10 5.731 -5.670 19.383 1.00104.22 P ANISOU 801 P DC H 10 12303 12393 14900 -1234 1804 -2889 P ATOM 802 OP1 DC H 10 6.606 -6.845 19.594 1.00104.17 O ANISOU 802 OP1 DC H 10 12679 12325 14577 -1263 1961 -2652 O ATOM 803 OP2 DC H 10 4.554 -5.766 18.492 1.00103.57 O ANISOU 803 OP2 DC H 10 11846 12337 15169 -1271 1722 -3204 O ATOM 804 O5' DC H 10 5.235 -5.131 20.801 1.00 90.39 O ANISOU 804 O5' DC H 10 10569 10573 13204 -1367 2103 -3036 O ATOM 805 C5' DC H 10 6.131 -4.331 21.566 1.00 84.57 C ANISOU 805 C5' DC H 10 10025 9876 12231 -1285 2047 -2827 C ATOM 806 C4' DC H 10 5.491 -3.017 21.954 1.00 91.99 C ANISOU 806 C4' DC H 10 10714 10827 13410 -1273 2013 -3027 C ATOM 807 O4' DC H 10 5.564 -2.047 20.866 1.00 93.64 O ANISOU 807 O4' DC H 10 10686 11118 13774 -1066 1607 -2997 O ATOM 808 C3' DC H 10 4.019 -3.112 22.321 1.00100.26 C ANISOU 808 C3' DC H 10 11495 11794 14807 -1444 2293 -3421 C ATOM 809 O3' DC H 10 3.804 -2.252 23.375 1.00114.65 O ANISOU 809 O3' DC H 10 13316 13583 16663 -1498 2456 -3527 O ATOM 810 C2' DC H 10 3.328 -2.599 21.059 1.00 95.77 C ANISOU 810 C2' DC H 10 10516 11297 14575 -1294 1964 -3587 C ATOM 811 C1' DC H 10 4.277 -1.483 20.685 1.00 92.39 C ANISOU 811 C1' DC H 10 10157 10936 14011 -1066 1607 -3327 C ATOM 812 N1 DC H 10 4.159 -1.012 19.282 1.00 89.41 N ANISOU 812 N1 DC H 10 9557 10632 13783 -850 1197 -3308 N ATOM 813 C2 DC H 10 4.347 0.344 18.999 1.00 82.71 C ANISOU 813 C2 DC H 10 8633 9790 13004 -655 934 -3243 C ATOM 814 O2 DC H 10 4.568 1.122 19.923 1.00 86.66 O ANISOU 814 O2 DC H 10 9219 10239 13469 -686 1056 -3235 O ATOM 815 N3 DC H 10 4.268 0.770 17.719 1.00 89.75 N ANISOU 815 N3 DC H 10 9384 10730 13987 -442 564 -3197 N ATOM 816 C4 DC H 10 4.021 -0.096 16.742 1.00 84.78 C ANISOU 816 C4 DC H 10 8668 10170 13376 -425 438 -3228 C ATOM 817 N4 DC H 10 3.954 0.382 15.499 1.00 87.48 N ANISOU 817 N4 DC H 10 8901 10566 13770 -202 61 -3176 N ATOM 818 C5 DC H 10 3.827 -1.492 17.002 1.00 85.92 C ANISOU 818 C5 DC H 10 8860 10315 13470 -639 705 -3318 C ATOM 819 C6 DC H 10 3.902 -1.904 18.276 1.00 86.80 C ANISOU 819 C6 DC H 10 9134 10349 13495 -843 1088 -3346 C ATOM 820 P DG H 11 3.025 -2.730 24.684 1.00117.92 P ANISOU 820 P DG H 11 13822 13877 17106 -1772 2979 -3765 P ATOM 821 OP1 DG H 11 4.039 -3.009 25.730 1.00124.91 O ANISOU 821 OP1 DG H 11 15176 14741 17544 -1821 3141 -3500 O ATOM 822 OP2 DG H 11 2.056 -3.779 24.283 1.00113.97 O ANISOU 822 OP2 DG H 11 13159 13313 16831 -1935 3191 -4010 O ATOM 823 O5' DG H 11 2.277 -1.389 25.099 1.00 78.40 O ANISOU 823 O5' DG H 11 8516 8870 12401 -1747 2988 -4032 O ATOM 824 C5' DG H 11 3.012 -0.185 25.075 1.00 69.46 C ANISOU 824 C5' DG H 11 7414 7796 11182 -1563 2703 -3865 C ATOM 825 C4' DG H 11 2.135 0.988 24.711 1.00 76.14 C ANISOU 825 C4' DG H 11 7856 8633 12441 -1438 2558 -4124 C ATOM 826 O4' DG H 11 2.089 1.153 23.277 1.00 94.55 O ANISOU 826 O4' DG H 11 9962 11031 14933 -1213 2146 -4064 O ATOM 827 C3' DG H 11 0.690 0.895 25.172 1.00 88.11 C ANISOU 827 C3' DG H 11 9061 10086 14330 -1591 2885 -4559 C ATOM 828 O3' DG H 11 0.281 2.175 25.566 1.00 97.75 O ANISOU 828 O3' DG H 11 10101 11270 15772 -1505 2875 -4733 O ATOM 829 C2' DG H 11 -0.044 0.439 23.904 1.00 88.97 C ANISOU 829 C2' DG H 11 8811 10257 14735 -1497 2667 -4709 C ATOM 830 C1' DG H 11 0.742 1.179 22.838 1.00 95.37 C ANISOU 830 C1' DG H 11 9635 11135 15466 -1194 2157 -4426 C ATOM 831 N9 DG H 11 0.704 0.577 21.499 1.00 89.29 N ANISOU 831 N9 DG H 11 8736 10452 14739 -1077 1856 -4366 N ATOM 832 C8 DG H 11 0.558 -0.747 21.176 1.00 94.26 C ANISOU 832 C8 DG H 11 9395 11105 15315 -1230 1977 -4401 C ATOM 833 N7 DG H 11 0.610 -0.974 19.890 1.00 92.96 N ANISOU 833 N7 DG H 11 9108 11031 15183 -1074 1631 -4337 N ATOM 834 C5 DG H 11 0.821 0.280 19.329 1.00 84.07 C ANISOU 834 C5 DG H 11 7891 9934 14118 -792 1259 -4230 C ATOM 835 C6 DG H 11 0.961 0.673 17.970 1.00 87.23 C ANISOU 835 C6 DG H 11 8187 10415 14542 -524 800 -4114 C ATOM 836 O6 DG H 11 0.932 -0.039 16.940 1.00 88.06 O ANISOU 836 O6 DG H 11 8236 10609 14614 -485 607 -4095 O ATOM 837 N1 DG H 11 1.153 2.046 17.855 1.00 75.40 N ANISOU 837 N1 DG H 11 6683 8873 13094 -290 571 -4017 N ATOM 838 C2 DG H 11 1.200 2.926 18.905 1.00 80.00 C ANISOU 838 C2 DG H 11 7326 9353 13719 -320 759 -4050 C ATOM 839 N2 DG H 11 1.394 4.219 18.597 1.00 79.19 N ANISOU 839 N2 DG H 11 7231 9187 13670 -79 515 -3950 N ATOM 840 N3 DG H 11 1.071 2.571 20.169 1.00 89.10 N ANISOU 840 N3 DG H 11 8556 10454 14844 -573 1173 -4173 N ATOM 841 C4 DG H 11 0.892 1.237 20.306 1.00 84.43 C ANISOU 841 C4 DG H 11 7996 9899 14186 -793 1400 -4246 C ATOM 842 P DC H 12 -0.885 2.368 26.641 1.00114.04 P ANISOU 842 P DC H 12 11972 13250 18109 -1704 3328 -5155 P ATOM 843 OP1 DC H 12 -0.274 3.085 27.789 1.00119.10 O ANISOU 843 OP1 DC H 12 12911 13837 18504 -1774 3497 -5067 O ATOM 844 OP2 DC H 12 -1.587 1.067 26.821 1.00 97.71 O ANISOU 844 OP2 DC H 12 9861 11164 16101 -1961 3676 -5353 O ATOM 845 O5' DC H 12 -1.861 3.412 25.915 1.00122.90 O ANISOU 845 O5' DC H 12 12581 14381 19733 -1457 3081 -5435 O ATOM 846 C5' DC H 12 -1.350 4.687 25.499 1.00108.06 C ANISOU 846 C5' DC H 12 10710 12480 17867 -1175 2725 -5268 C ATOM 847 C4' DC H 12 -1.967 5.129 24.176 1.00108.21 C ANISOU 847 C4' DC H 12 10340 12546 18228 -862 2312 -5357 C ATOM 848 O4' DC H 12 -1.593 4.220 23.125 1.00106.33 O ANISOU 848 O4' DC H 12 10145 12413 17843 -819 2055 -5158 O ATOM 849 C3' DC H 12 -3.498 5.153 24.139 1.00108.82 C ANISOU 849 C3' DC H 12 9895 12645 18807 -843 2436 -5842 C ATOM 850 O3' DC H 12 -3.976 6.473 24.415 1.00120.85 O ANISOU 850 O3' DC H 12 11228 14075 20614 -646 2407 -6019 O ATOM 851 C2' DC H 12 -3.852 4.701 22.700 1.00 96.72 C ANISOU 851 C2' DC H 12 8086 11244 17417 -642 2035 -5848 C ATOM 852 C1' DC H 12 -2.484 4.425 22.060 1.00102.18 C ANISOU 852 C1' DC H 12 9199 11958 17669 -583 1755 -5356 C ATOM 853 N1 DC H 12 -2.465 3.221 21.158 1.00 94.84 N ANISOU 853 N1 DC H 12 8231 11149 16653 -637 1622 -5303 N ATOM 854 C2 DC H 12 -2.218 3.375 19.788 1.00102.28 C ANISOU 854 C2 DC H 12 9120 12174 17567 -359 1137 -5127 C ATOM 855 O2 DC H 12 -2.012 4.511 19.337 1.00124.84 O ANISOU 855 O2 DC H 12 11984 14986 20463 -65 831 -4996 O ATOM 856 N3 DC H 12 -2.206 2.270 18.990 1.00 91.16 N ANISOU 856 N3 DC H 12 7684 10877 16075 -427 1036 -5105 N ATOM 857 C4 DC H 12 -2.437 1.063 19.516 1.00 97.63 C ANISOU 857 C4 DC H 12 8532 11704 16860 -753 1408 -5249 C ATOM 858 N4 DC H 12 -2.432 -0.003 18.700 1.00 89.67 N ANISOU 858 N4 DC H 12 7503 10785 15782 -821 1316 -5243 N ATOM 859 C5 DC H 12 -2.690 0.896 20.904 1.00103.92 C ANISOU 859 C5 DC H 12 9408 12397 17678 -1031 1910 -5410 C ATOM 860 C6 DC H 12 -2.689 1.993 21.677 1.00 99.74 C ANISOU 860 C6 DC H 12 8900 11783 17213 -961 1991 -5431 C TER 861 DC H 12 ATOM 862 O5' DG I 1 -3.432 2.524 8.470 1.00116.18 O ANISOU 862 O5' DG I 1 10038 15072 19033 1591 -2508 -4843 O ATOM 863 C5' DG I 1 -4.002 3.792 8.216 1.00113.09 C ANISOU 863 C5' DG I 1 9501 14651 18819 2012 -2828 -4875 C ATOM 864 C4' DG I 1 -3.277 4.870 8.998 1.00110.81 C ANISOU 864 C4' DG I 1 9552 14083 18468 2070 -2651 -4570 C ATOM 865 O4' DG I 1 -3.242 4.512 10.400 1.00107.42 O ANISOU 865 O4' DG I 1 9077 13563 18176 1704 -2129 -4705 O ATOM 866 C3' DG I 1 -1.824 5.114 8.607 1.00107.78 C ANISOU 866 C3' DG I 1 9756 13553 17643 2062 -2690 -4050 C ATOM 867 O3' DG I 1 -1.522 6.488 8.859 1.00114.50 O ANISOU 867 O3' DG I 1 10826 14177 18503 2300 -2738 -3838 O ATOM 868 C2' DG I 1 -1.061 4.173 9.548 1.00 94.96 C ANISOU 868 C2' DG I 1 8308 11889 15885 1604 -2219 -3983 C ATOM 869 C1' DG I 1 -1.909 4.254 10.810 1.00101.74 C ANISOU 869 C1' DG I 1 8838 12710 17109 1459 -1882 -4332 C ATOM 870 N9 DG I 1 -1.924 3.046 11.631 1.00100.91 N ANISOU 870 N9 DG I 1 8672 12647 17020 1040 -1457 -4499 N ATOM 871 C8 DG I 1 -1.973 1.737 11.210 1.00102.33 C ANISOU 871 C8 DG I 1 8798 12967 17115 824 -1405 -4601 C ATOM 872 N7 DG I 1 -2.018 0.876 12.194 1.00 98.81 N ANISOU 872 N7 DG I 1 8346 12484 16712 464 -954 -4741 N ATOM 873 C5 DG I 1 -2.010 1.672 13.337 1.00101.09 C ANISOU 873 C5 DG I 1 8674 12624 17111 441 -709 -4739 C ATOM 874 C6 DG I 1 -2.046 1.314 14.706 1.00 93.20 C ANISOU 874 C6 DG I 1 7723 11524 16164 129 -212 -4851 C ATOM 875 O6 DG I 1 -2.092 0.184 15.204 1.00107.51 O ANISOU 875 O6 DG I 1 9574 13339 17935 -192 132 -4960 O ATOM 876 N1 DG I 1 -2.017 2.432 15.528 1.00 84.12 N ANISOU 876 N1 DG I 1 6613 10244 15105 216 -115 -4823 N ATOM 877 C2 DG I 1 -1.968 3.732 15.089 1.00 90.54 C ANISOU 877 C2 DG I 1 7427 11002 15973 562 -438 -4703 C ATOM 878 N2 DG I 1 -1.952 4.681 16.032 1.00 92.96 N ANISOU 878 N2 DG I 1 7785 11161 16376 582 -257 -4715 N ATOM 879 N3 DG I 1 -1.936 4.079 13.819 1.00 96.53 N ANISOU 879 N3 DG I 1 8169 11828 16681 867 -893 -4578 N ATOM 880 C4 DG I 1 -1.958 3.005 13.002 1.00 98.86 C ANISOU 880 C4 DG I 1 8416 12278 16868 786 -1011 -4604 C ATOM 881 P DC I 2 -0.071 7.110 8.559 1.00113.92 P ANISOU 881 P DC I 2 11345 13905 18035 2320 -2753 -3330 P ATOM 882 OP1 DC I 2 -0.329 8.416 7.903 1.00115.13 O ANISOU 882 OP1 DC I 2 11607 13917 18220 2763 -3091 -3206 O ATOM 883 OP2 DC I 2 0.802 6.069 7.970 1.00100.68 O ANISOU 883 OP2 DC I 2 9897 12342 16016 2103 -2744 -3138 O ATOM 884 O5' DC I 2 0.479 7.437 10.011 1.00114.61 O ANISOU 884 O5' DC I 2 11560 13815 18171 2049 -2300 -3290 O ATOM 885 C5' DC I 2 -0.407 7.308 11.078 1.00117.85 C ANISOU 885 C5' DC I 2 11610 14245 18922 1926 -2038 -3649 C ATOM 886 C4' DC I 2 0.011 8.150 12.232 1.00119.25 C ANISOU 886 C4' DC I 2 11954 14210 19146 1829 -1735 -3584 C ATOM 887 O4' DC I 2 0.092 7.318 13.406 1.00120.50 O ANISOU 887 O4' DC I 2 12043 14416 19325 1438 -1309 -3734 O ATOM 888 C3' DC I 2 1.374 8.761 12.091 1.00124.39 C ANISOU 888 C3' DC I 2 13102 14700 19462 1807 -1731 -3170 C ATOM 889 O3' DC I 2 1.435 9.897 12.923 1.00135.98 O ANISOU 889 O3' DC I 2 14657 15952 21057 1845 -1561 -3177 O ATOM 890 C2' DC I 2 2.290 7.628 12.572 1.00116.17 C ANISOU 890 C2' DC I 2 12219 13762 18157 1419 -1461 -3062 C ATOM 891 C1' DC I 2 1.435 6.960 13.653 1.00117.97 C ANISOU 891 C1' DC I 2 12119 14067 18639 1201 -1149 -3420 C ATOM 892 N1 DC I 2 1.508 5.476 13.668 1.00108.91 N ANISOU 892 N1 DC I 2 10916 13085 17379 938 -1010 -3482 N ATOM 893 C2 DC I 2 1.620 4.807 14.889 1.00 99.02 C ANISOU 893 C2 DC I 2 9681 11832 16111 614 -597 -3585 C ATOM 894 O2 DC I 2 1.673 5.467 15.937 1.00 97.65 O ANISOU 894 O2 DC I 2 9556 11544 16004 543 -367 -3629 O ATOM 895 N3 DC I 2 1.674 3.457 14.894 1.00 87.63 N ANISOU 895 N3 DC I 2 8231 10498 14565 389 -450 -3631 N ATOM 896 C4 DC I 2 1.616 2.785 13.752 1.00 90.95 C ANISOU 896 C4 DC I 2 8604 11038 14916 460 -693 -3603 C ATOM 897 N4 DC I 2 1.663 1.450 13.809 1.00 96.99 N ANISOU 897 N4 DC I 2 9380 11879 15592 224 -508 -3663 N ATOM 898 C5 DC I 2 1.496 3.447 12.497 1.00102.96 C ANISOU 898 C5 DC I 2 10090 12591 16440 779 -1127 -3513 C ATOM 899 C6 DC I 2 1.442 4.783 12.504 1.00110.21 C ANISOU 899 C6 DC I 2 11041 13388 17448 1018 -1272 -3445 C ATOM 900 P DG I 3 2.768 10.780 13.002 1.00143.26 P ANISOU 900 P DG I 3 16061 16669 21703 1794 -1491 -2822 P ATOM 901 OP1 DG I 3 2.327 12.189 13.142 1.00136.25 O ANISOU 901 OP1 DG I 3 15203 15533 21034 2061 -1536 -2863 O ATOM 902 OP2 DG I 3 3.705 10.354 11.932 1.00133.72 O ANISOU 902 OP2 DG I 3 15135 15529 20143 1788 -1684 -2509 O ATOM 903 O5' DG I 3 3.412 10.314 14.368 1.00113.52 O ANISOU 903 O5' DG I 3 12356 12937 17841 1387 -1072 -2863 O ATOM 904 C5' DG I 3 2.601 10.226 15.525 1.00115.09 C ANISOU 904 C5' DG I 3 12284 13142 18305 1265 -798 -3186 C ATOM 905 C4' DG I 3 3.468 10.117 16.755 1.00110.95 C ANISOU 905 C4' DG I 3 11959 12601 17597 926 -440 -3137 C ATOM 906 O4' DG I 3 3.705 8.718 17.071 1.00106.13 O ANISOU 906 O4' DG I 3 11321 12183 16819 664 -288 -3150 O ATOM 907 C3' DG I 3 4.840 10.745 16.606 1.00117.57 C ANISOU 907 C3' DG I 3 13192 13344 18135 872 -464 -2818 C ATOM 908 O3' DG I 3 5.252 11.262 17.866 1.00130.42 O ANISOU 908 O3' DG I 3 14927 14892 19735 664 -162 -2886 O ATOM 909 C2' DG I 3 5.711 9.570 16.129 1.00109.76 C ANISOU 909 C2' DG I 3 12333 12546 16825 720 -517 -2611 C ATOM 910 C1' DG I 3 5.055 8.370 16.805 1.00103.35 C ANISOU 910 C1' DG I 3 11285 11887 16094 543 -320 -2837 C ATOM 911 N9 DG I 3 5.055 7.151 15.998 1.00 96.50 N ANISOU 911 N9 DG I 3 10366 11183 15116 529 -450 -2779 N ATOM 912 C8 DG I 3 5.109 7.049 14.627 1.00 91.53 C ANISOU 912 C8 DG I 3 9761 10595 14423 724 -774 -2639 C ATOM 913 N7 DG I 3 5.081 5.813 14.198 1.00 91.90 N ANISOU 913 N7 DG I 3 9749 10793 14376 638 -797 -2646 N ATOM 914 C5 DG I 3 4.988 5.052 15.360 1.00 85.91 C ANISOU 914 C5 DG I 3 8938 10077 13624 380 -460 -2787 C ATOM 915 C6 DG I 3 4.917 3.644 15.537 1.00 83.79 C ANISOU 915 C6 DG I 3 8634 9921 13280 188 -298 -2852 C ATOM 916 O6 DG I 3 4.913 2.755 14.670 1.00 82.49 O ANISOU 916 O6 DG I 3 8449 9851 13042 198 -424 -2820 O ATOM 917 N1 DG I 3 4.832 3.300 16.886 1.00 80.42 N ANISOU 917 N1 DG I 3 8227 9471 12859 -38 65 -2974 N ATOM 918 C2 DG I 3 4.821 4.200 17.928 1.00 86.95 C ANISOU 918 C2 DG I 3 9083 10203 13749 -82 238 -3040 C ATOM 919 N2 DG I 3 4.738 3.685 19.163 1.00 98.75 N ANISOU 919 N2 DG I 3 10628 11694 15199 -311 590 -3152 N ATOM 920 N3 DG I 3 4.895 5.512 17.777 1.00 78.62 N ANISOU 920 N3 DG I 3 8042 9048 12781 83 93 -2999 N ATOM 921 C4 DG I 3 4.969 5.864 16.472 1.00 87.11 C ANISOU 921 C4 DG I 3 9115 10122 13860 313 -251 -2866 C ATOM 922 P DC I 4 6.575 12.159 18.011 1.00146.24 P ANISOU 922 P DC I 4 17289 16778 21498 564 -113 -2660 P ATOM 923 OP1 DC I 4 6.138 13.466 18.556 1.00141.13 O ANISOU 923 OP1 DC I 4 16649 15891 21084 648 0 -2810 O ATOM 924 OP2 DC I 4 7.350 12.101 16.749 1.00136.86 O ANISOU 924 OP2 DC I 4 16302 15604 20096 665 -368 -2364 O ATOM 925 O5' DC I 4 7.411 11.366 19.123 1.00106.04 O ANISOU 925 O5' DC I 4 12283 11868 16141 217 147 -2657 O ATOM 926 C5' DC I 4 6.716 10.596 20.112 1.00 94.47 C ANISOU 926 C5' DC I 4 10632 10502 14758 73 375 -2888 C ATOM 927 C4' DC I 4 7.570 9.452 20.621 1.00 83.14 C ANISOU 927 C4' DC I 4 9323 9273 12994 -163 494 -2776 C ATOM 928 O4' DC I 4 7.489 8.315 19.704 1.00 76.78 O ANISOU 928 O4' DC I 4 8455 8593 12126 -100 333 -2669 O ATOM 929 C3' DC I 4 9.065 9.765 20.741 1.00 91.13 C ANISOU 929 C3' DC I 4 10606 10338 13680 -283 477 -2556 C ATOM 930 O3' DC I 4 9.608 8.989 21.761 1.00 99.61 O ANISOU 930 O3' DC I 4 11765 11574 14507 -496 667 -2561 O ATOM 931 C2' DC I 4 9.580 9.272 19.407 1.00 82.84 C ANISOU 931 C2' DC I 4 9613 9355 12506 -165 216 -2314 C ATOM 932 C1' DC I 4 8.807 7.976 19.332 1.00 76.34 C ANISOU 932 C1' DC I 4 8622 8642 11742 -162 240 -2399 C ATOM 933 N1 DC I 4 8.787 7.402 18.036 1.00 78.92 N ANISOU 933 N1 DC I 4 8920 9020 12048 -21 0 -2265 N ATOM 934 C2 DC I 4 8.672 6.026 17.928 1.00 85.89 C ANISOU 934 C2 DC I 4 9753 10039 12844 -87 36 -2262 C ATOM 935 O2 DC I 4 8.587 5.357 18.963 1.00 91.11 O ANISOU 935 O2 DC I 4 10418 10755 13444 -255 280 -2357 O ATOM 936 N3 DC I 4 8.650 5.465 16.701 1.00 76.96 N ANISOU 936 N3 DC I 4 8597 8960 11685 31 -183 -2157 N ATOM 937 C4 DC I 4 8.750 6.233 15.614 1.00 74.90 C ANISOU 937 C4 DC I 4 8377 8628 11453 217 -437 -2042 C ATOM 938 N4 DC I 4 8.728 5.629 14.419 1.00 82.24 N ANISOU 938 N4 DC I 4 9300 9625 12322 323 -648 -1949 N ATOM 939 C5 DC I 4 8.873 7.649 15.703 1.00 66.10 C ANISOU 939 C5 DC I 4 7344 7354 10417 299 -471 -2021 C ATOM 940 C6 DC I 4 8.891 8.192 16.932 1.00 71.94 C ANISOU 940 C6 DC I 4 8089 8035 11208 169 -243 -2142 C ATOM 941 P DG I 5 10.439 9.660 22.945 1.00 82.96 P ANISOU 941 P DG I 5 9819 9495 12206 -691 842 -2605 P ATOM 942 OP1 DG I 5 9.473 10.446 23.743 1.00 94.68 O ANISOU 942 OP1 DG I 5 11208 10822 13945 -713 1038 -2875 O ATOM 943 OP2 DG I 5 11.648 10.286 22.369 1.00 79.47 O ANISOU 943 OP2 DG I 5 9527 9068 11600 -696 690 -2418 O ATOM 944 O5' DG I 5 10.884 8.394 23.798 1.00 75.60 O ANISOU 944 O5' DG I 5 8975 8778 10972 -845 978 -2567 O ATOM 945 C5' DG I 5 9.881 7.593 24.385 1.00 85.34 C ANISOU 945 C5' DG I 5 10123 10005 12297 -890 1173 -2724 C ATOM 946 C4' DG I 5 10.341 6.160 24.555 1.00 81.82 C ANISOU 946 C4' DG I 5 9794 9722 11570 -946 1210 -2582 C ATOM 947 O4' DG I 5 10.357 5.476 23.278 1.00 79.81 O ANISOU 947 O4' DG I 5 9475 9488 11361 -811 1003 -2428 O ATOM 948 C3' DG I 5 11.735 5.979 25.113 1.00 80.73 C ANISOU 948 C3' DG I 5 9874 9766 11034 -1026 1182 -2418 C ATOM 949 O3' DG I 5 11.750 4.765 25.789 1.00 79.13 O ANISOU 949 O3' DG I 5 9802 9654 10611 -1088 1334 -2381 O ATOM 950 C2' DG I 5 12.588 5.927 23.843 1.00 76.51 C ANISOU 950 C2' DG I 5 9336 9292 10442 -904 903 -2191 C ATOM 951 C1' DG I 5 11.685 5.132 22.926 1.00 76.75 C ANISOU 951 C1' DG I 5 9242 9248 10674 -795 851 -2183 C ATOM 952 N9 DG I 5 11.827 5.469 21.535 1.00 82.94 N ANISOU 952 N9 DG I 5 9953 9988 11572 -650 600 -2066 N ATOM 953 C8 DG I 5 11.938 6.727 21.000 1.00 87.88 C ANISOU 953 C8 DG I 5 10554 10507 12330 -584 473 -2062 C ATOM 954 N7 DG I 5 11.995 6.732 19.705 1.00 81.36 N ANISOU 954 N7 DG I 5 9705 9649 11561 -445 259 -1934 N ATOM 955 C5 DG I 5 11.884 5.390 19.362 1.00 81.03 C ANISOU 955 C5 DG I 5 9641 9708 11439 -427 243 -1872 C ATOM 956 C6 DG I 5 11.879 4.774 18.090 1.00 73.65 C ANISOU 956 C6 DG I 5 8682 8798 10503 -309 56 -1751 C ATOM 957 O6 DG I 5 11.978 5.316 16.980 1.00 75.35 O ANISOU 957 O6 DG I 5 8904 8957 10769 -185 -147 -1658 O ATOM 958 N1 DG I 5 11.753 3.394 18.187 1.00 65.93 N ANISOU 958 N1 DG I 5 7706 7908 9437 -349 138 -1743 N ATOM 959 C2 DG I 5 11.648 2.695 19.367 1.00 77.83 C ANISOU 959 C2 DG I 5 9265 9455 10853 -476 378 -1818 C ATOM 960 N2 DG I 5 11.540 1.359 19.261 1.00 80.27 N ANISOU 960 N2 DG I 5 9614 9805 11081 -497 453 -1786 N ATOM 961 N3 DG I 5 11.649 3.263 20.565 1.00 78.64 N ANISOU 961 N3 DG I 5 9408 9543 10930 -579 545 -1919 N ATOM 962 C4 DG I 5 11.770 4.606 20.481 1.00 77.19 C ANISOU 962 C4 DG I 5 9191 9291 10846 -551 461 -1950 C ATOM 963 P DC I 6 13.077 4.235 26.491 1.00 80.29 P ANISOU 963 P DC I 6 10182 10019 10307 -1125 1309 -2213 P ATOM 964 OP1 DC I 6 12.605 3.534 27.704 1.00 85.48 O ANISOU 964 OP1 DC I 6 11000 10672 10805 -1228 1586 -2299 O ATOM 965 OP2 DC I 6 14.075 5.320 26.589 1.00 86.22 O ANISOU 965 OP2 DC I 6 10938 10869 10954 -1157 1172 -2202 O ATOM 966 O5' DC I 6 13.617 3.159 25.461 1.00 91.82 O ANISOU 966 O5' DC I 6 11664 11551 11672 -991 1135 -1977 O ATOM 967 C5' DC I 6 12.822 2.051 25.145 1.00 84.83 C ANISOU 967 C5' DC I 6 10776 10576 10881 -964 1239 -1972 C ATOM 968 C4' DC I 6 13.546 1.147 24.179 1.00 81.73 C ANISOU 968 C4' DC I 6 10425 10262 10365 -840 1062 -1748 C ATOM 969 O4' DC I 6 13.614 1.799 22.883 1.00 81.27 O ANISOU 969 O4' DC I 6 10193 10176 10512 -753 829 -1712 O ATOM 970 C3' DC I 6 15.002 0.832 24.558 1.00 86.26 C ANISOU 970 C3' DC I 6 11171 11045 10559 -787 958 -1558 C ATOM 971 O3' DC I 6 15.298 -0.473 24.118 1.00 84.76 O ANISOU 971 O3' DC I 6 11089 10876 10239 -686 944 -1393 O ATOM 972 C2' DC I 6 15.773 1.866 23.739 1.00 79.77 C ANISOU 972 C2' DC I 6 10213 10296 9798 -750 718 -1512 C ATOM 973 C1' DC I 6 14.960 1.814 22.461 1.00 85.43 C ANISOU 973 C1' DC I 6 10784 10859 10817 -687 643 -1522 C ATOM 974 N1 DC I 6 15.157 2.952 21.534 1.00 84.00 N ANISOU 974 N1 DC I 6 10481 10637 10798 -655 461 -1517 N ATOM 975 C2 DC I 6 15.075 2.717 20.164 1.00 71.99 C ANISOU 975 C2 DC I 6 8895 9071 9386 -550 301 -1422 C ATOM 976 O2 DC I 6 14.838 1.577 19.772 1.00 77.15 O ANISOU 976 O2 DC I 6 9568 9729 10016 -499 314 -1366 O ATOM 977 N3 DC I 6 15.241 3.745 19.305 1.00 72.75 N ANISOU 977 N3 DC I 6 8936 9106 9600 -511 150 -1397 N ATOM 978 C4 DC I 6 15.483 4.969 19.779 1.00 81.63 C ANISOU 978 C4 DC I 6 10065 10194 10755 -584 173 -1471 C ATOM 979 N4 DC I 6 15.639 5.956 18.892 1.00 83.17 N ANISOU 979 N4 DC I 6 10254 10288 11059 -544 49 -1431 N ATOM 980 C5 DC I 6 15.584 5.229 21.181 1.00 74.94 C ANISOU 980 C5 DC I 6 9258 9402 9814 -707 336 -1592 C ATOM 981 C6 DC I 6 15.406 4.200 22.016 1.00 83.36 C ANISOU 981 C6 DC I 6 10383 10547 10743 -733 467 -1608 C ATOM 982 P DG I 7 16.263 -1.455 24.944 1.00110.52 P ANISOU 982 P DG I 7 14614 14285 13094 -607 980 -1227 P ATOM 983 OP1 DG I 7 15.441 -2.205 25.923 1.00104.85 O ANISOU 983 OP1 DG I 7 14099 13436 12301 -682 1275 -1287 O ATOM 984 OP2 DG I 7 17.442 -0.690 25.414 1.00102.11 O ANISOU 984 OP2 DG I 7 13539 13448 11810 -589 817 -1196 O ATOM 985 O5' DG I 7 16.724 -2.479 23.812 1.00101.34 O ANISOU 985 O5' DG I 7 13462 13128 11914 -460 863 -1046 O ATOM 986 C5' DG I 7 15.824 -2.780 22.737 1.00 98.70 C ANISOU 986 C5' DG I 7 13003 12628 11872 -477 880 -1100 C ATOM 987 C4' DG I 7 16.552 -3.408 21.564 1.00 95.14 C ANISOU 987 C4' DG I 7 12535 12233 11381 -341 710 -937 C ATOM 988 O4' DG I 7 16.803 -2.418 20.534 1.00 97.66 O ANISOU 988 O4' DG I 7 12650 12599 11856 -332 493 -948 O ATOM 989 C3' DG I 7 17.912 -3.995 21.887 1.00 94.93 C ANISOU 989 C3' DG I 7 12662 12384 11023 -197 631 -748 C ATOM 990 O3' DG I 7 18.188 -5.035 20.967 1.00 92.54 O ANISOU 990 O3' DG I 7 12408 12048 10707 -83 599 -627 O ATOM 991 C2' DG I 7 18.839 -2.802 21.676 1.00 85.92 C ANISOU 991 C2' DG I 7 11359 11432 9857 -199 417 -749 C ATOM 992 C1' DG I 7 18.195 -2.129 20.469 1.00 89.48 C ANISOU 992 C1' DG I 7 11621 11764 10614 -258 334 -823 C ATOM 993 N9 DG I 7 18.342 -0.684 20.467 1.00 81.31 N ANISOU 993 N9 DG I 7 10452 10766 9675 -343 241 -911 N ATOM 994 C8 DG I 7 18.461 0.135 21.565 1.00 88.81 C ANISOU 994 C8 DG I 7 11410 11776 10557 -436 293 -1011 C ATOM 995 N7 DG I 7 18.541 1.405 21.264 1.00 85.71 N ANISOU 995 N7 DG I 7 10902 11365 10298 -512 216 -1087 N ATOM 996 C5 DG I 7 18.452 1.430 19.879 1.00 80.18 C ANISOU 996 C5 DG I 7 10129 10587 9749 -453 99 -1018 C ATOM 997 C6 DG I 7 18.483 2.526 18.987 1.00 86.01 C ANISOU 997 C6 DG I 7 10787 11247 10645 -478 -8 -1032 C ATOM 998 O6 DG I 7 18.599 3.732 19.254 1.00 89.98 O ANISOU 998 O6 DG I 7 11261 11715 11210 -568 -5 -1117 O ATOM 999 N1 DG I 7 18.369 2.113 17.661 1.00 95.25 N ANISOU 999 N1 DG I 7 11943 12360 11887 -388 -113 -934 N ATOM 1000 C2 DG I 7 18.239 0.805 17.249 1.00 79.09 C ANISOU 1000 C2 DG I 7 9933 10331 9787 -301 -108 -856 C ATOM 1001 N2 DG I 7 18.134 0.613 15.927 1.00 67.17 N ANISOU 1001 N2 DG I 7 8406 8768 8345 -234 -220 -789 N ATOM 1002 N3 DG I 7 18.204 -0.239 18.076 1.00 73.97 N ANISOU 1002 N3 DG I 7 9361 9730 9013 -283 11 -847 N ATOM 1003 C4 DG I 7 18.327 0.148 19.371 1.00 79.41 C ANISOU 1003 C4 DG I 7 10085 10477 9610 -354 106 -919 C ATOM 1004 P DC I 8 19.499 -5.934 21.141 1.00 88.42 P ANISOU 1004 P DC I 8 12045 11673 9875 120 534 -428 P ATOM 1005 OP1 DC I 8 19.096 -7.324 20.840 1.00 95.96 O ANISOU 1005 OP1 DC I 8 13185 12448 10827 184 694 -359 O ATOM 1006 OP2 DC I 8 20.094 -5.609 22.460 1.00 87.05 O ANISOU 1006 OP2 DC I 8 11972 11659 9443 153 526 -410 O ATOM 1007 O5' DC I 8 20.460 -5.391 19.994 1.00 82.07 O ANISOU 1007 O5' DC I 8 11035 11032 9116 179 293 -380 O ATOM 1008 C5' DC I 8 19.926 -5.161 18.720 1.00 72.21 C ANISOU 1008 C5' DC I 8 9650 9678 8110 116 240 -429 C ATOM 1009 C4' DC I 8 20.903 -4.421 17.827 1.00 77.08 C ANISOU 1009 C4' DC I 8 10109 10452 8728 140 43 -389 C ATOM 1010 O4' DC I 8 20.787 -2.993 18.023 1.00 81.03 O ANISOU 1010 O4' DC I 8 10479 10982 9325 10 -22 -492 O ATOM 1011 C3' DC I 8 22.387 -4.749 18.040 1.00 77.54 C ANISOU 1011 C3' DC I 8 10175 10742 8543 283 -45 -279 C ATOM 1012 O3' DC I 8 23.021 -4.704 16.818 1.00 82.08 O ANISOU 1012 O3' DC I 8 10651 11376 9160 315 -146 -235 O ATOM 1013 C2' DC I 8 22.852 -3.579 18.868 1.00 76.88 C ANISOU 1013 C2' DC I 8 9995 10821 8397 194 -111 -359 C ATOM 1014 C1' DC I 8 22.087 -2.472 18.181 1.00 77.19 C ANISOU 1014 C1' DC I 8 9922 10721 8686 31 -130 -459 C ATOM 1015 N1 DC I 8 22.018 -1.237 18.963 1.00 75.55 N ANISOU 1015 N1 DC I 8 9649 10552 8505 -105 -131 -579 N ATOM 1016 C2 DC I 8 21.906 -0.020 18.298 1.00 73.07 C ANISOU 1016 C2 DC I 8 9230 10174 8361 -222 -187 -645 C ATOM 1017 O2 DC I 8 21.861 -0.014 17.061 1.00 89.03 O ANISOU 1017 O2 DC I 8 11225 12118 10483 -202 -247 -590 O ATOM 1018 N3 DC I 8 21.850 1.112 19.011 1.00 70.29 N ANISOU 1018 N3 DC I 8 8835 9830 8043 -351 -165 -766 N ATOM 1019 C4 DC I 8 21.901 1.063 20.333 1.00 80.45 C ANISOU 1019 C4 DC I 8 10166 11211 9190 -376 -101 -832 C ATOM 1020 N4 DC I 8 21.837 2.219 20.995 1.00 78.84 N ANISOU 1020 N4 DC I 8 9921 11008 9025 -520 -70 -973 N ATOM 1021 C5 DC I 8 22.024 -0.172 21.041 1.00 72.44 C ANISOU 1021 C5 DC I 8 9274 10280 7972 -249 -57 -754 C ATOM 1022 C6 DC I 8 22.082 -1.290 20.320 1.00 72.89 C ANISOU 1022 C6 DC I 8 9384 10300 8009 -112 -69 -623 C ATOM 1023 P DG I 9 23.904 -5.933 16.314 1.00 69.42 P ANISOU 1023 P DG I 9 9109 9845 7422 509 -152 -112 P ATOM 1024 OP1 DG I 9 22.999 -7.096 16.365 1.00 72.38 O ANISOU 1024 OP1 DG I 9 9672 10002 7828 556 -3 -81 O ATOM 1025 OP2 DG I 9 25.189 -5.967 17.079 1.00 75.93 O ANISOU 1025 OP2 DG I 9 9888 10932 8028 641 -231 -72 O ATOM 1026 O5' DG I 9 24.273 -5.509 14.817 1.00 90.56 O ANISOU 1026 O5' DG I 9 11662 12542 10205 457 -237 -115 O ATOM 1027 C5' DG I 9 23.260 -5.018 13.958 1.00 74.29 C ANISOU 1027 C5' DG I 9 9587 10304 8336 329 -244 -172 C ATOM 1028 C4' DG I 9 23.784 -3.940 13.014 1.00 73.97 C ANISOU 1028 C4' DG I 9 9438 10328 8341 237 -343 -185 C ATOM 1029 O4' DG I 9 23.819 -2.650 13.680 1.00 74.89 O ANISOU 1029 O4' DG I 9 9477 10487 8491 115 -373 -258 O ATOM 1030 C3' DG I 9 25.183 -4.153 12.448 1.00 70.32 C ANISOU 1030 C3' DG I 9 8911 10052 7753 302 -371 -132 C ATOM 1031 O3' DG I 9 25.219 -3.605 11.131 1.00 63.67 O ANISOU 1031 O3' DG I 9 8063 9154 6973 218 -407 -128 O ATOM 1032 C2' DG I 9 26.049 -3.362 13.416 1.00 63.53 C ANISOU 1032 C2' DG I 9 7932 9396 6811 258 -404 -183 C ATOM 1033 C1' DG I 9 25.146 -2.168 13.722 1.00 71.91 C ANISOU 1033 C1' DG I 9 8995 10322 8004 93 -409 -261 C ATOM 1034 N9 DG I 9 25.312 -1.583 15.037 1.00 69.23 N ANISOU 1034 N9 DG I 9 8605 10088 7611 39 -407 -338 N ATOM 1035 C8 DG I 9 25.458 -2.241 16.242 1.00 72.58 C ANISOU 1035 C8 DG I 9 9064 10619 7895 143 -390 -333 C ATOM 1036 N7 DG I 9 25.511 -1.423 17.279 1.00 71.98 N ANISOU 1036 N7 DG I 9 8943 10624 7781 46 -394 -430 N ATOM 1037 C5 DG I 9 25.370 -0.160 16.711 1.00 77.39 C ANISOU 1037 C5 DG I 9 9561 11227 8617 -133 -399 -504 C ATOM 1038 C6 DG I 9 25.348 1.114 17.318 1.00 78.49 C ANISOU 1038 C6 DG I 9 9646 11374 8803 -305 -384 -633 C ATOM 1039 O6 DG I 9 25.453 1.388 18.518 1.00 81.26 O ANISOU 1039 O6 DG I 9 9979 11834 9060 -345 -374 -724 O ATOM 1040 N1 DG I 9 25.183 2.133 16.376 1.00 75.78 N ANISOU 1040 N1 DG I 9 9296 10878 8617 -436 -374 -654 N ATOM 1041 C2 DG I 9 25.054 1.931 15.014 1.00 83.87 C ANISOU 1041 C2 DG I 9 10370 11782 9715 -398 -394 -556 C ATOM 1042 N2 DG I 9 24.896 3.026 14.254 1.00 86.21 N ANISOU 1042 N2 DG I 9 10706 11921 10127 -516 -381 -570 N ATOM 1043 N3 DG I 9 25.072 0.741 14.437 1.00 80.01 N ANISOU 1043 N3 DG I 9 9915 11310 9175 -251 -417 -453 N ATOM 1044 C4 DG I 9 25.231 -0.251 15.338 1.00 70.02 C ANISOU 1044 C4 DG I 9 8648 10170 7784 -128 -410 -435 C ATOM 1045 P DC I 10 26.590 -3.506 10.302 1.00 68.38 P ANISOU 1045 P DC I 10 8586 9920 7477 213 -402 -108 P ATOM 1046 OP1 DC I 10 26.202 -3.519 8.872 1.00 79.95 O ANISOU 1046 OP1 DC I 10 10150 11248 8978 175 -408 -75 O ATOM 1047 OP2 DC I 10 27.613 -4.448 10.851 1.00 67.93 O ANISOU 1047 OP2 DC I 10 8456 10060 7296 374 -378 -89 O ATOM 1048 O5' DC I 10 27.122 -2.049 10.670 1.00 82.07 O ANISOU 1048 O5' DC I 10 10216 11742 9226 45 -416 -179 O ATOM 1049 C5' DC I 10 26.266 -0.929 10.520 1.00 70.80 C ANISOU 1049 C5' DC I 10 8853 10134 7912 -88 -438 -204 C ATOM 1050 C4' DC I 10 27.070 0.344 10.519 1.00 70.34 C ANISOU 1050 C4' DC I 10 8728 10147 7849 -262 -404 -268 C ATOM 1051 O4' DC I 10 27.190 0.823 11.877 1.00 66.97 O ANISOU 1051 O4' DC I 10 8202 9822 7423 -313 -405 -361 O ATOM 1052 C3' DC I 10 28.506 0.193 9.989 1.00 82.10 C ANISOU 1052 C3' DC I 10 10111 11844 9238 -296 -344 -287 C ATOM 1053 O3' DC I 10 28.849 1.329 9.167 1.00 87.51 O ANISOU 1053 O3' DC I 10 10857 12448 9947 -488 -271 -307 O ATOM 1054 C2' DC I 10 29.353 0.108 11.269 1.00 77.81 C ANISOU 1054 C2' DC I 10 9370 11567 8626 -276 -358 -386 C ATOM 1055 C1' DC I 10 28.556 0.962 12.235 1.00 76.71 C ANISOU 1055 C1' DC I 10 9265 11324 8558 -366 -380 -442 C ATOM 1056 N1 DC I 10 28.684 0.551 13.651 1.00 75.95 N ANISOU 1056 N1 DC I 10 9079 11401 8379 -277 -428 -496 N ATOM 1057 C2 DC I 10 28.632 1.525 14.646 1.00 71.16 C ANISOU 1057 C2 DC I 10 8420 10831 7785 -416 -424 -618 C ATOM 1058 O2 DC I 10 28.509 2.708 14.317 1.00 78.97 O ANISOU 1058 O2 DC I 10 9436 11693 8876 -610 -367 -679 O ATOM 1059 N3 DC I 10 28.714 1.150 15.944 1.00 72.28 N ANISOU 1059 N3 DC I 10 8513 11135 7815 -331 -474 -665 N ATOM 1060 C4 DC I 10 28.831 -0.136 16.260 1.00 74.59 C ANISOU 1060 C4 DC I 10 8831 11524 7987 -101 -522 -576 C ATOM 1061 N4 DC I 10 28.908 -0.454 17.557 1.00 70.31 N ANISOU 1061 N4 DC I 10 8287 11128 7299 -9 -570 -608 N ATOM 1062 C5 DC I 10 28.879 -1.156 15.258 1.00 84.65 C ANISOU 1062 C5 DC I 10 10160 12735 9267 48 -512 -449 C ATOM 1063 C6 DC I 10 28.797 -0.770 13.974 1.00 85.43 C ANISOU 1063 C6 DC I 10 10284 12697 9478 -55 -467 -424 C ATOM 1064 P DG I 11 30.240 1.405 8.354 1.00 98.53 P ANISOU 1064 P DG I 11 12168 14004 11263 -592 -153 -351 P ATOM 1065 OP1 DG I 11 29.883 1.540 6.927 1.00 97.78 O ANISOU 1065 OP1 DG I 11 12297 13704 11149 -626 -112 -249 O ATOM 1066 OP2 DG I 11 31.178 0.330 8.748 1.00103.09 O ANISOU 1066 OP2 DG I 11 12537 14865 11767 -451 -163 -397 O ATOM 1067 O5' DG I 11 30.859 2.788 8.853 1.00101.42 O ANISOU 1067 O5' DG I 11 12449 14417 11667 -842 -62 -488 O ATOM 1068 C5' DG I 11 30.054 3.952 8.826 1.00 79.63 C ANISOU 1068 C5' DG I 11 9872 11393 8991 -967 -44 -469 C ATOM 1069 C4' DG I 11 30.705 5.088 9.586 1.00 75.06 C ANISOU 1069 C4' DG I 11 9179 10890 8450 -1199 53 -637 C ATOM 1070 O4' DG I 11 30.646 4.827 11.008 1.00 84.91 O ANISOU 1070 O4' DG I 11 10243 12320 9697 -1130 -44 -734 O ATOM 1071 C3' DG I 11 32.171 5.337 9.256 1.00 86.61 C ANISOU 1071 C3' DG I 11 10476 12568 9863 -1390 207 -773 C ATOM 1072 O3' DG I 11 32.413 6.738 9.263 1.00 99.88 O ANISOU 1072 O3' DG I 11 12233 14114 11603 -1675 367 -878 O ATOM 1073 C2' DG I 11 32.917 4.623 10.390 1.00 85.08 C ANISOU 1073 C2' DG I 11 9952 12754 9620 -1294 114 -911 C ATOM 1074 C1' DG I 11 31.951 4.773 11.561 1.00 83.35 C ANISOU 1074 C1' DG I 11 9771 12462 9435 -1215 -10 -905 C ATOM 1075 N9 DG I 11 31.974 3.647 12.489 1.00 82.09 N ANISOU 1075 N9 DG I 11 9467 12532 9193 -976 -161 -898 N ATOM 1076 C8 DG I 11 31.989 2.316 12.156 1.00 82.83 C ANISOU 1076 C8 DG I 11 9556 12695 9219 -727 -232 -778 C ATOM 1077 N7 DG I 11 31.979 1.524 13.192 1.00 81.28 N ANISOU 1077 N7 DG I 11 9274 12667 8939 -535 -347 -779 N ATOM 1078 C5 DG I 11 31.930 2.384 14.283 1.00 71.35 C ANISOU 1078 C5 DG I 11 7954 11476 7682 -668 -366 -913 C ATOM 1079 C6 DG I 11 31.898 2.092 15.663 1.00 81.33 C ANISOU 1079 C6 DG I 11 9148 12916 8838 -561 -473 -969 C ATOM 1080 O6 DG I 11 31.902 0.984 16.209 1.00 83.18 O ANISOU 1080 O6 DG I 11 9385 13267 8951 -308 -571 -891 O ATOM 1081 N1 DG I 11 31.865 3.246 16.436 1.00 85.62 N ANISOU 1081 N1 DG I 11 9649 13478 9407 -779 -446 -1133 N ATOM 1082 C2 DG I 11 31.865 4.520 15.938 1.00 84.62 C ANISOU 1082 C2 DG I 11 9552 13189 9409 -1061 -316 -1224 C ATOM 1083 N2 DG I 11 31.824 5.504 16.843 1.00 91.04 N ANISOU 1083 N2 DG I 11 10328 14026 10235 -1248 -288 -1395 N ATOM 1084 N3 DG I 11 31.894 4.811 14.639 1.00 85.93 N ANISOU 1084 N3 DG I 11 9813 13167 9671 -1152 -208 -1151 N ATOM 1085 C4 DG I 11 31.925 3.694 13.873 1.00 71.79 C ANISOU 1085 C4 DG I 11 8052 11383 7841 -945 -248 -997 C ATOM 1086 P DC I 12 33.805 7.332 8.735 1.00109.41 P ANISOU 1086 P DC I 12 13331 15449 12791 -1969 606 -1045 P ATOM 1087 OP1 DC I 12 33.526 8.633 8.079 1.00109.78 O ANISOU 1087 OP1 DC I 12 13694 15136 12881 -2200 795 -1007 O ATOM 1088 OP2 DC I 12 34.496 6.258 7.979 1.00103.13 O ANISOU 1088 OP2 DC I 12 12420 14849 11914 -1855 616 -1012 O ATOM 1089 O5' DC I 12 34.626 7.594 10.078 1.00100.31 O ANISOU 1089 O5' DC I 12 11820 14633 11661 -2095 591 -1317 O ATOM 1090 C5' DC I 12 33.993 8.182 11.199 1.00 89.59 C ANISOU 1090 C5' DC I 12 10474 13213 10355 -2120 513 -1380 C ATOM 1091 C4' DC I 12 34.830 7.947 12.440 1.00 87.95 C ANISOU 1091 C4' DC I 12 9890 13427 10101 -2137 423 -1618 C ATOM 1092 O4' DC I 12 34.423 6.718 13.056 1.00 87.75 O ANISOU 1092 O4' DC I 12 9786 13563 9992 -1797 188 -1507 O ATOM 1093 C3' DC I 12 36.316 7.762 12.167 1.00 96.94 C ANISOU 1093 C3' DC I 12 10709 14915 11207 -2267 517 -1821 C ATOM 1094 O3' DC I 12 36.993 9.012 12.266 1.00108.00 O ANISOU 1094 O3' DC I 12 12037 16320 12680 -2658 734 -2073 O ATOM 1095 C2' DC I 12 36.777 6.790 13.260 1.00 91.15 C ANISOU 1095 C2' DC I 12 9647 14611 10374 -2025 279 -1915 C ATOM 1096 C1' DC I 12 35.475 6.253 13.861 1.00 87.98 C ANISOU 1096 C1' DC I 12 9461 14033 9933 -1753 93 -1698 C ATOM 1097 N1 DC I 12 35.432 4.783 13.901 1.00 82.46 N ANISOU 1097 N1 DC I 12 8710 13486 9137 -1388 -80 -1546 N ATOM 1098 C2 DC I 12 35.323 4.133 15.126 1.00 86.26 C ANISOU 1098 C2 DC I 12 9092 14180 9502 -1167 -277 -1558 C ATOM 1099 O2 DC I 12 35.240 4.813 16.160 1.00 80.27 O ANISOU 1099 O2 DC I 12 8281 13498 8718 -1287 -313 -1704 O ATOM 1100 N3 DC I 12 35.300 2.777 15.148 1.00 85.99 N ANISOU 1100 N3 DC I 12 9053 14244 9374 -828 -407 -1408 N ATOM 1101 C4 DC I 12 35.389 2.093 14.005 1.00 90.62 C ANISOU 1101 C4 DC I 12 9703 14736 9993 -724 -347 -1275 C ATOM 1102 N4 DC I 12 35.368 0.755 14.064 1.00 97.86 N ANISOU 1102 N4 DC I 12 10632 15726 10824 -393 -456 -1139 N ATOM 1103 C5 DC I 12 35.498 2.747 12.748 1.00 87.31 C ANISOU 1103 C5 DC I 12 9370 14123 9680 -955 -158 -1273 C ATOM 1104 C6 DC I 12 35.522 4.079 12.745 1.00 88.23 C ANISOU 1104 C6 DC I 12 9515 14134 9875 -1276 -29 -1401 C TER 1105 DC I 12 HETATM 1106 ZN ZN A 701 11.829 9.828 29.604 1.00 82.50 ZN ANISOU 1106 ZN ZN A 701 10340 9897 11110 -1607 1869 -3206 ZN HETATM 1107 ZN ZN A 702 13.487 12.752 31.307 1.00 84.90 ZN ANISOU 1107 ZN ZN A 702 10838 10256 11162 -2007 1996 -3590 ZN HETATM 1108 ZN ZN A 703 13.761 9.236 32.498 1.00 95.97 ZN ANISOU 1108 ZN ZN A 703 12537 12154 11771 -1946 2031 -3257 ZN HETATM 1109 ZN ZN B 701 25.045 -9.958 10.847 1.00 71.93 ZN ANISOU 1109 ZN ZN B 701 9618 9908 7804 868 -23 82 ZN HETATM 1110 ZN ZN B 702 26.515 -13.389 11.263 1.00 68.50 ZN ANISOU 1110 ZN ZN B 702 9559 9356 7113 1458 258 288 ZN HETATM 1111 ZN ZN B 703 27.182 -11.342 8.231 1.00 74.24 ZN ANISOU 1111 ZN ZN B 703 9882 10345 7982 1085 46 120 ZN HETATM 1112 ZN ZN H 701 4.211 -9.256 24.975 1.00142.09 ZN ANISOU 1112 ZN ZN H 701 18412 16398 19179 -2261 4079 -3196 ZN HETATM 1113 ZN ZN H 702 2.052 -12.978 24.738 1.00159.56 ZN ANISOU 1113 ZN ZN H 702 20940 17966 21718 -3043 5329 -3773 ZN HETATM 1114 ZN ZN H 703 1.807 -10.856 27.491 1.00172.11 ZN ANISOU 1114 ZN ZN H 703 22651 19636 23108 -3102 5616 -3825 ZN CONECT 22 1106 1108 CONECT 39 1106 CONECT 71 1106 1107 CONECT 113 1106 CONECT 126 1108 CONECT 185 1107 1108 CONECT 200 1108 CONECT 216 1107 CONECT 233 1107 CONECT 308 1109 1111 CONECT 325 1109 CONECT 402 1109 1110 CONECT 444 1109 CONECT 457 1111 CONECT 516 1110 1111 CONECT 531 1111 CONECT 547 1110 CONECT 564 1110 CONECT 1106 22 39 71 113 CONECT 1107 71 185 216 233 CONECT 1108 22 126 185 200 CONECT 1109 308 325 402 444 CONECT 1110 402 516 547 564 CONECT 1111 308 457 516 531 MASTER 399 0 9 2 0 0 13 6 1110 4 24 10 END
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Related entries of code: 4rkg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3lrn
RCSB PDB
PDBbind
14aa, >3LRN_2|Chains... *
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
4rkg
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase msl-2 CXC domain
Ligand Name
non-specific (GC)6 DNA
EC.Number
E.C.6.3.2.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=25.7uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Genes Dev. Vol. 28: pp. 2652-2662
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):
P50534
Entrez Gene ID
NCBI Entrez Gene ID:
33565
ASD
Information of known allosteric effects of PDB entries
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