Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 24-AUG-17 6ASD TITLE ZINC FINGER REGION OF HUMAN TET1 IN COMPLEX WITH CPG DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: METHYLCYTOSINE DIOXYGENASE TET1; COMPND 7 CHAIN: C; COMPND 8 FRAGMENT: ZINC FINGER REGION (UNP RESIDUES 587-632); COMPND 9 SYNONYM: CXXC-TYPE ZINC FINGER PROTEIN 6,LEUKEMIA-ASSOCIATED PROTEIN COMPND 10 WITH A CXXC DOMAIN,TEN-ELEVEN TRANSLOCATION 1 GENE PROTEIN; COMPND 11 EC: 1.14.11.-; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: SYNTHETIC; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 8 ORGANISM_COMMON: HUMAN; SOURCE 9 ORGANISM_TAXID: 9606; SOURCE 10 GENE: TET1, CXXC6, KIAA1676, LCX; SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 13 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-V2R-PRARE2; SOURCE 14 EXPRESSION_SYSTEM_PLASMID: PET28-MHL KEYWDS ZINC FINGER, DNA-BINDING, STRUCTURAL GENOMICS, STRUCTURAL GENOMICS KEYWDS 2 CONSORTIUM, SGC, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR K.LIU,C.XU,W.TEMPEL,J.R.WALKER,C.H.ARROWSMITH,C.BOUNTRA,A.M.EDWARDS, AUTHOR 2 J.MIN,STRUCTURAL GENOMICS CONSORTIUM (SGC) REVDAT 3 10-JAN-18 6ASD 1 JRNL REVDAT 2 03-JAN-18 6ASD 1 JRNL REVDAT 1 18-OCT-17 6ASD 0 JRNL AUTH C.XU,K.LIU,M.LEI,A.YANG,Y.LI,T.R.HUGHES,J.MIN JRNL TITL DNA SEQUENCE RECOGNITION OF HUMAN CXXC DOMAINS AND THEIR JRNL TITL 2 STRUCTURAL DETERMINANTS. JRNL REF STRUCTURE V. 26 85 2018 JRNL REFN ISSN 1878-4186 JRNL PMID 29276034 JRNL DOI 10.1016/J.STR.2017.11.022 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0158 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.72 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 10543 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.203 REMARK 3 R VALUE (WORKING SET) : 0.202 REMARK 3 FREE R VALUE : 0.235 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 539 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.85 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 REMARK 3 REFLECTION IN BIN (WORKING SET) : 765 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.20 REMARK 3 BIN R VALUE (WORKING SET) : 0.2410 REMARK 3 BIN FREE R VALUE SET COUNT : 44 REMARK 3 BIN FREE R VALUE : 0.3120 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 348 REMARK 3 NUCLEIC ACID ATOMS : 486 REMARK 3 HETEROGEN ATOMS : 19 REMARK 3 SOLVENT ATOMS : 58 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.23 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.09000 REMARK 3 B22 (A**2) : 0.37000 REMARK 3 B33 (A**2) : 0.19000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.30000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.140 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.131 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.095 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.580 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.960 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.950 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 913 ; 0.013 ; 0.014 REMARK 3 BOND LENGTHS OTHERS (A): 619 ; 0.004 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1322 ; 1.455 ; 1.460 REMARK 3 BOND ANGLES OTHERS (DEGREES): 1447 ; 1.336 ; 3.011 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 48 ; 4.799 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 15 ;44.548 ;23.333 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 84 ;12.492 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ; 6.978 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 122 ; 0.075 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 685 ; 0.012 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 199 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 182 ; 1.188 ; 2.210 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 181 ; 1.187 ; 2.207 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 227 ; 1.740 ; 3.305 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 3 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 1 A 12 REMARK 3 ORIGIN FOR THE GROUP (A): -65.5442 28.7234 11.3996 REMARK 3 T TENSOR REMARK 3 T11: 0.0653 T22: 0.1101 REMARK 3 T33: 0.0898 T12: 0.0580 REMARK 3 T13: -0.0012 T23: -0.0071 REMARK 3 L TENSOR REMARK 3 L11: 7.7973 L22: 1.8113 REMARK 3 L33: 0.6956 L12: -2.0198 REMARK 3 L13: -0.7140 L23: -0.5434 REMARK 3 S TENSOR REMARK 3 S11: -0.1440 S12: -0.1623 S13: -0.1890 REMARK 3 S21: -0.0040 S22: 0.2018 S23: -0.0208 REMARK 3 S31: 0.0541 S32: -0.0592 S33: -0.0578 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 1 B 12 REMARK 3 ORIGIN FOR THE GROUP (A): -65.1088 29.6323 9.9697 REMARK 3 T TENSOR REMARK 3 T11: 0.0510 T22: 0.1134 REMARK 3 T33: 0.0436 T12: 0.0500 REMARK 3 T13: -0.0104 T23: 0.0080 REMARK 3 L TENSOR REMARK 3 L11: 7.5508 L22: 3.4103 REMARK 3 L33: 1.2032 L12: -3.0152 REMARK 3 L13: -1.3140 L23: 0.0749 REMARK 3 S TENSOR REMARK 3 S11: -0.0500 S12: 0.2297 S13: -0.2054 REMARK 3 S21: -0.0835 S22: 0.0146 S23: 0.0660 REMARK 3 S31: 0.0214 S32: -0.0134 S33: 0.0354 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 586 C 630 REMARK 3 ORIGIN FOR THE GROUP (A): -64.8468 39.1645 18.8573 REMARK 3 T TENSOR REMARK 3 T11: 0.1420 T22: 0.0947 REMARK 3 T33: 0.0142 T12: 0.0975 REMARK 3 T13: -0.0105 T23: -0.0047 REMARK 3 L TENSOR REMARK 3 L11: 3.8397 L22: 6.8408 REMARK 3 L33: 4.8100 L12: 2.4037 REMARK 3 L13: -0.9787 L23: -1.4168 REMARK 3 S TENSOR REMARK 3 S11: 0.0258 S12: -0.1784 S13: 0.0632 REMARK 3 S21: 0.6348 S22: 0.1264 S23: -0.1477 REMARK 3 S31: -0.2363 S32: -0.0045 S33: -0.1522 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: COOT WAS USED FOR INTERACTIVE MODEL REMARK 3 BUILDING. MODEL GEOMETRY WAS ASSESSED ON THE MOLPROBITY SERVER. REMARK 4 REMARK 4 6ASD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-AUG-17. REMARK 100 THE DEPOSITION ID IS D_1000229396. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JUN-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97918 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.5.32 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11082 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 36.720 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 3.600 REMARK 200 R MERGE (I) : 0.03800 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 22.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.89 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.7 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.42300 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: PDB ENTRY 4HP3 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG-3350, 0.2 M AMMONIUM ACETATE, REMARK 280 0.1 M HEPES, PH 7.5, VAPOR DIFFUSION, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 36.75100 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 15.97550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 36.75100 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 15.97550 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3010 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6740 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO C 631 REMARK 465 SER C 632 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLY C 586 N REMARK 470 GLU C 595 OE1 OE2 REMARK 470 LYS C 600 CD CE NZ REMARK 470 LYS C 613 CD CE NZ REMARK 470 LYS C 621 NZ REMARK 470 LYS C 630 CG CD CE NZ 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 ARG C 590 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES 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 C 701 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS C 591 SG REMARK 620 2 CYS C 594 SG 101.6 REMARK 620 3 CYS C 597 SG 122.7 95.5 REMARK 620 4 CYS C 624 SG 113.2 113.8 108.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN C 702 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS C 603 SG REMARK 620 2 CYS C 606 SG 108.5 REMARK 620 3 CYS C 609 SG 117.8 106.0 REMARK 620 4 CYS C 619 SG 103.5 118.9 102.6 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 C 701 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN C 702 DBREF 6ASD A 1 12 PDB 6ASD 6ASD 1 12 DBREF 6ASD B 1 12 PDB 6ASD 6ASD 1 12 DBREF 6ASD C 587 632 UNP Q8NFU7 TET1_HUMAN 587 632 SEQADV 6ASD GLY C 586 UNP Q8NFU7 EXPRESSION TAG SEQRES 1 A 12 DG DC DC DA DC DC DG DG DT DG DG DC SEQRES 1 B 12 DG DC DC DA DC DC DG DG DT DG DG DC SEQRES 1 C 47 GLY LYS ARG LYS ARG CYS GLY VAL CYS GLU PRO CYS GLN SEQRES 2 C 47 GLN LYS THR ASN CYS GLY GLU CYS THR TYR CYS LYS ASN SEQRES 3 C 47 ARG LYS ASN SER HIS GLN ILE CYS LYS LYS ARG LYS CYS SEQRES 4 C 47 GLU GLU LEU LYS LYS LYS PRO SER HET UNX A 101 1 HET UNX A 102 1 HET UNX A 103 1 HET UNX B 101 1 HET UNX B 102 1 HET UNX B 103 1 HET UNX B 104 1 HET UNX B 105 1 HET UNX B 106 1 HET ZN C 701 1 HET ZN C 702 1 HET UNX C 703 1 HET UNX C 704 1 HET UNX C 705 1 HET UNX C 706 1 HET UNX C 707 1 HET UNX C 708 1 HET UNX C 709 1 HET UNX C 710 1 HETNAM UNX UNKNOWN ATOM OR ION HETNAM ZN ZINC ION FORMUL 4 UNX 17(X) FORMUL 13 ZN 2(ZN 2+) FORMUL 23 HOH *58(H2 O) HELIX 1 AA1 CYS C 594 GLN C 599 1 6 HELIX 2 AA2 CYS C 606 ASN C 611 1 6 HELIX 3 AA3 CYS C 624 LYS C 629 1 6 LINK SG CYS C 591 ZN ZN C 701 1555 1555 2.29 LINK SG CYS C 594 ZN ZN C 701 1555 1555 2.15 LINK SG CYS C 597 ZN ZN C 701 1555 1555 2.29 LINK SG CYS C 603 ZN ZN C 702 1555 1555 2.31 LINK SG CYS C 606 ZN ZN C 702 1555 1555 2.38 LINK SG CYS C 609 ZN ZN C 702 1555 1555 2.33 LINK SG CYS C 619 ZN ZN C 702 1555 1555 2.36 LINK SG CYS C 624 ZN ZN C 701 1555 1555 2.28 SITE 1 AC1 5 CYS C 591 GLY C 592 CYS C 594 CYS C 597 SITE 2 AC1 5 CYS C 624 SITE 1 AC2 4 CYS C 603 CYS C 606 CYS C 609 CYS C 619 CRYST1 73.502 31.951 65.414 90.00 121.82 90.00 C 1 2 1 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 0.013605 0.000000 0.008442 0.00000 SCALE2 0.000000 0.031298 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017991 0.00000 ATOM 1 O5' DG A 1 -48.359 15.243 16.888 1.00 52.71 O ANISOU 1 O5' DG A 1 4874 6476 8676 1615 896 1882 O ATOM 2 C5' DG A 1 -49.665 15.803 17.079 1.00 49.28 C ANISOU 2 C5' DG A 1 4531 6141 8052 1582 829 1814 C ATOM 3 C4' DG A 1 -49.538 17.268 17.413 1.00 47.01 C ANISOU 3 C4' DG A 1 4368 6189 7303 1577 631 1593 C ATOM 4 O4' DG A 1 -49.054 17.978 16.247 1.00 42.80 O ANISOU 4 O4' DG A 1 4019 5485 6758 1418 567 1226 O ATOM 5 C3' DG A 1 -50.837 17.967 17.794 1.00 45.69 C ANISOU 5 C3' DG A 1 4277 6184 6896 1574 554 1535 C ATOM 6 O3' DG A 1 -50.466 19.067 18.628 1.00 48.20 O ANISOU 6 O3' DG A 1 4585 6900 6828 1660 389 1438 O ATOM 7 C2' DG A 1 -51.366 18.422 16.446 1.00 42.71 C ANISOU 7 C2' DG A 1 4115 5517 6595 1373 532 1189 C ATOM 8 C1' DG A 1 -50.081 18.833 15.737 1.00 40.86 C ANISOU 8 C1' DG A 1 3944 5214 6366 1307 491 986 C ATOM 9 N9 DG A 1 -50.099 18.692 14.285 1.00 38.44 N ANISOU 9 N9 DG A 1 3764 4604 6235 1165 546 753 N ATOM 10 C8 DG A 1 -50.513 17.603 13.551 1.00 39.94 C ANISOU 10 C8 DG A 1 3933 4506 6733 1118 672 740 C ATOM 11 N7 DG A 1 -50.359 17.765 12.264 1.00 38.91 N ANISOU 11 N7 DG A 1 3915 4229 6638 1018 682 467 N ATOM 12 C5 DG A 1 -49.824 19.039 12.140 1.00 37.52 C ANISOU 12 C5 DG A 1 3835 4227 6191 995 577 354 C ATOM 13 C6 DG A 1 -49.454 19.773 10.980 1.00 35.01 C ANISOU 13 C6 DG A 1 3626 3888 5785 923 562 133 C ATOM 14 O6 DG A 1 -49.515 19.423 9.794 1.00 36.12 O ANISOU 14 O6 DG A 1 3813 3907 6001 880 629 -33 O ATOM 15 N1 DG A 1 -48.918 21.012 11.309 1.00 34.03 N ANISOU 15 N1 DG A 1 3522 3926 5482 924 461 120 N ATOM 16 C2 DG A 1 -48.771 21.497 12.590 1.00 35.08 C ANISOU 16 C2 DG A 1 3582 4242 5503 987 360 223 C ATOM 17 N2 DG A 1 -48.253 22.728 12.704 1.00 32.52 N ANISOU 17 N2 DG A 1 3256 4021 5079 970 258 125 N ATOM 18 N3 DG A 1 -49.114 20.823 13.680 1.00 36.08 N ANISOU 18 N3 DG A 1 3614 4463 5628 1075 364 410 N ATOM 19 C4 DG A 1 -49.628 19.611 13.382 1.00 36.13 C ANISOU 19 C4 DG A 1 3598 4290 5839 1074 486 500 C ATOM 20 P DC A 2 -51.572 20.009 19.286 1.00 53.07 P ANISOU 20 P DC A 2 5247 7793 7122 1705 281 1345 P ATOM 21 OP1 DC A 2 -51.234 20.145 20.728 1.00 53.86 O ANISOU 21 OP1 DC A 2 5153 8395 6916 1938 212 1516 O ATOM 22 OP2 DC A 2 -52.916 19.518 18.862 1.00 51.02 O ANISOU 22 OP2 DC A 2 5047 7304 7032 1637 387 1432 O ATOM 23 O5' DC A 2 -51.278 21.423 18.625 1.00 47.30 O ANISOU 23 O5' DC A 2 4686 7014 6270 1561 125 909 O ATOM 24 C5' DC A 2 -49.961 21.980 18.732 1.00 47.89 C ANISOU 24 C5' DC A 2 4709 7192 6293 1572 20 757 C ATOM 25 C4' DC A 2 -49.907 23.328 18.063 1.00 44.77 C ANISOU 25 C4' DC A 2 4442 6690 5879 1431 -94 394 C ATOM 26 O4' DC A 2 -49.963 23.156 16.627 1.00 42.24 O ANISOU 26 O4' DC A 2 4269 5991 5786 1265 4 333 O ATOM 27 C3' DC A 2 -51.055 24.267 18.422 1.00 44.72 C ANISOU 27 C3' DC A 2 4492 6811 5687 1434 -179 235 C ATOM 28 O3' DC A 2 -50.511 25.583 18.591 1.00 46.71 O ANISOU 28 O3' DC A 2 4708 7149 5889 1412 -338 -78 O ATOM 29 C2' DC A 2 -52.004 24.146 17.234 1.00 40.86 C ANISOU 29 C2' DC A 2 4178 5995 5349 1281 -78 224 C ATOM 30 C1' DC A 2 -51.062 23.874 16.077 1.00 38.08 C ANISOU 30 C1' DC A 2 3877 5369 5219 1169 -12 186 C ATOM 31 N1 DC A 2 -51.596 23.064 14.954 1.00 36.98 N ANISOU 31 N1 DC A 2 3841 4957 5251 1074 120 240 N ATOM 32 C2 DC A 2 -51.396 23.514 13.636 1.00 35.22 C ANISOU 32 C2 DC A 2 3723 4544 5115 954 146 82 C ATOM 33 O2 DC A 2 -50.851 24.608 13.451 1.00 34.80 O ANISOU 33 O2 DC A 2 3671 4513 5038 922 75 -48 O ATOM 34 N3 DC A 2 -51.823 22.751 12.603 1.00 34.67 N ANISOU 34 N3 DC A 2 3719 4286 5165 891 249 75 N ATOM 35 C4 DC A 2 -52.402 21.574 12.838 1.00 35.25 C ANISOU 35 C4 DC A 2 3750 4286 5355 920 325 201 C ATOM 36 N4 DC A 2 -52.809 20.862 11.787 1.00 36.12 N ANISOU 36 N4 DC A 2 3899 4205 5617 854 405 115 N ATOM 37 C5 DC A 2 -52.600 21.079 14.166 1.00 37.15 C ANISOU 37 C5 DC A 2 3873 4666 5576 1033 325 424 C ATOM 38 C6 DC A 2 -52.178 21.848 15.184 1.00 37.35 C ANISOU 38 C6 DC A 2 3842 4949 5399 1119 222 445 C ATOM 39 P DC A 3 -51.352 26.729 19.313 1.00 48.97 P ANISOU 39 P DC A 3 4973 7650 5982 1464 -467 -317 P ATOM 40 OP1 DC A 3 -50.388 27.678 19.905 1.00 51.55 O ANISOU 40 OP1 DC A 3 5146 8148 6289 1510 -644 -615 O ATOM 41 OP2 DC A 3 -52.388 26.108 20.157 1.00 46.34 O ANISOU 41 OP2 DC A 3 4612 7574 5421 1609 -418 -107 O ATOM 42 O5' DC A 3 -52.089 27.448 18.102 1.00 45.02 O ANISOU 42 O5' DC A 3 4644 6799 5660 1280 -420 -438 O ATOM 43 C5' DC A 3 -51.335 28.171 17.114 1.00 43.40 C ANISOU 43 C5' DC A 3 4463 6324 5700 1143 -429 -584 C ATOM 44 C4' DC A 3 -52.263 28.737 16.064 1.00 40.20 C ANISOU 44 C4' DC A 3 4195 5679 5398 1018 -362 -610 C ATOM 45 O4' DC A 3 -52.602 27.704 15.107 1.00 36.87 O ANISOU 45 O4' DC A 3 3897 5098 5011 957 -218 -405 O ATOM 46 C3' DC A 3 -53.600 29.260 16.591 1.00 40.36 C ANISOU 46 C3' DC A 3 4246 5812 5275 1055 -399 -681 C ATOM 47 O3' DC A 3 -54.035 30.332 15.761 1.00 41.51 O ANISOU 47 O3' DC A 3 4438 5749 5585 948 -389 -790 O ATOM 48 C2' DC A 3 -54.537 28.092 16.350 1.00 39.28 C ANISOU 48 C2' DC A 3 4216 5662 5045 1058 -281 -434 C ATOM 49 C1' DC A 3 -54.000 27.621 15.000 1.00 36.97 C ANISOU 49 C1' DC A 3 4002 5109 4935 941 -181 -357 C ATOM 50 N1 DC A 3 -54.350 26.264 14.525 1.00 35.82 N ANISOU 50 N1 DC A 3 3915 4875 4817 926 -65 -170 N ATOM 51 C2 DC A 3 -54.302 26.016 13.146 1.00 33.73 C ANISOU 51 C2 DC A 3 3734 4408 4671 824 17 -179 C ATOM 52 O2 DC A 3 -53.937 26.925 12.384 1.00 34.26 O ANISOU 52 O2 DC A 3 3820 4403 4793 765 8 -273 O ATOM 53 N3 DC A 3 -54.657 24.798 12.678 1.00 32.19 N ANISOU 53 N3 DC A 3 3567 4115 4547 808 108 -88 N ATOM 54 C4 DC A 3 -55.048 23.847 13.527 1.00 33.65 C ANISOU 54 C4 DC A 3 3690 4349 4746 879 137 64 C ATOM 55 N4 DC A 3 -55.379 22.656 13.020 1.00 34.81 N ANISOU 55 N4 DC A 3 3828 4338 5061 852 232 131 N ATOM 56 C5 DC A 3 -55.115 24.072 14.935 1.00 35.86 C ANISOU 56 C5 DC A 3 3881 4859 4884 998 77 154 C ATOM 57 C6 DC A 3 -54.778 25.290 15.385 1.00 36.57 C ANISOU 57 C6 DC A 3 3957 5091 4846 1021 -33 3 C ATOM 58 P DA A 4 -53.936 31.836 16.263 1.00 45.53 P ANISOU 58 P DA A 4 4816 6257 6224 958 -511 -1087 P ATOM 59 OP1 DA A 4 -52.582 32.053 16.776 1.00 43.49 O ANISOU 59 OP1 DA A 4 4399 6057 6068 993 -614 -1245 O ATOM 60 OP2 DA A 4 -55.122 32.085 17.130 1.00 43.40 O ANISOU 60 OP2 DA A 4 4553 6182 5754 1046 -557 -1170 O ATOM 61 O5' DA A 4 -54.081 32.638 14.891 1.00 41.42 O ANISOU 61 O5' DA A 4 4336 5420 5981 823 -421 -1037 O ATOM 62 C5' DA A 4 -53.028 32.666 13.919 1.00 39.78 C ANISOU 62 C5' DA A 4 4097 5025 5991 752 -354 -944 C ATOM 63 C4' DA A 4 -53.585 32.705 12.511 1.00 37.39 C ANISOU 63 C4' DA A 4 3896 4571 5739 676 -212 -742 C ATOM 64 O4' DA A 4 -54.187 31.435 12.158 1.00 35.65 O ANISOU 64 O4' DA A 4 3831 4438 5273 680 -142 -592 O ATOM 65 C3' DA A 4 -54.660 33.759 12.231 1.00 37.60 C ANISOU 65 C3' DA A 4 3911 4513 5859 649 -194 -757 C ATOM 66 O3' DA A 4 -54.420 34.204 10.899 1.00 37.90 O ANISOU 66 O3' DA A 4 3921 4401 6079 599 -72 -575 O ATOM 67 C2' DA A 4 -55.960 32.984 12.387 1.00 36.11 C ANISOU 67 C2' DA A 4 3878 4466 5376 669 -179 -688 C ATOM 68 C1' DA A 4 -55.583 31.573 11.933 1.00 35.59 C ANISOU 68 C1' DA A 4 3909 4452 5160 665 -117 -551 C ATOM 69 N9 DA A 4 -56.225 30.465 12.628 1.00 35.63 N ANISOU 69 N9 DA A 4 3988 4595 4951 711 -132 -514 N ATOM 70 C8 DA A 4 -56.482 30.329 13.971 1.00 37.14 C ANISOU 70 C8 DA A 4 4138 4955 5016 800 -211 -579 C ATOM 71 N7 DA A 4 -56.999 29.167 14.294 1.00 37.00 N ANISOU 71 N7 DA A 4 4169 5027 4863 840 -173 -445 N ATOM 72 C5 DA A 4 -57.044 28.477 13.091 1.00 32.35 C ANISOU 72 C5 DA A 4 3659 4293 4340 759 -81 -347 C ATOM 73 C6 DA A 4 -57.493 27.190 12.758 1.00 31.75 C ANISOU 73 C6 DA A 4 3626 4178 4258 746 -10 -231 C ATOM 74 N6 DA A 4 -57.986 26.327 13.645 1.00 32.71 N ANISOU 74 N6 DA A 4 3711 4380 4334 815 3 -114 N ATOM 75 N1 DA A 4 -57.426 26.816 11.460 1.00 31.19 N ANISOU 75 N1 DA A 4 3607 3989 4254 673 53 -240 N ATOM 76 C2 DA A 4 -56.935 27.686 10.567 1.00 30.08 C ANISOU 76 C2 DA A 4 3474 3809 4146 633 63 -293 C ATOM 77 N3 DA A 4 -56.486 28.925 10.761 1.00 31.89 N ANISOU 77 N3 DA A 4 3652 4036 4427 637 23 -337 N ATOM 78 C4 DA A 4 -56.563 29.261 12.058 1.00 33.45 C ANISOU 78 C4 DA A 4 3800 4313 4594 692 -58 -393 C ATOM 79 P DC A 5 -55.311 35.318 10.224 1.00 38.78 P ANISOU 79 P DC A 5 3980 4400 6355 576 -2 -475 P ATOM 80 OP1 DC A 5 -54.477 35.971 9.197 1.00 38.77 O ANISOU 80 OP1 DC A 5 3837 4249 6644 561 108 -292 O ATOM 81 OP2 DC A 5 -55.935 36.173 11.290 1.00 39.09 O ANISOU 81 OP2 DC A 5 3944 4404 6502 593 -103 -698 O ATOM 82 O5' DC A 5 -56.490 34.463 9.577 1.00 36.57 O ANISOU 82 O5' DC A 5 3881 4271 5741 575 55 -331 O ATOM 83 C5' DC A 5 -56.196 33.622 8.451 1.00 37.17 C ANISOU 83 C5' DC A 5 4027 4423 5670 574 148 -172 C ATOM 84 C4' DC A 5 -57.415 32.837 8.045 1.00 36.35 C ANISOU 84 C4' DC A 5 4059 4458 5291 570 160 -134 C ATOM 85 O4' DC A 5 -57.658 31.798 9.024 1.00 34.75 O ANISOU 85 O4' DC A 5 3949 4311 4943 573 84 -254 O ATOM 86 C3' DC A 5 -58.718 33.659 7.958 1.00 37.48 C ANISOU 86 C3' DC A 5 4191 4608 5439 565 162 -81 C ATOM 87 O3' DC A 5 -59.565 33.247 6.891 1.00 41.37 O ANISOU 87 O3' DC A 5 4739 5240 5737 568 214 31 O ATOM 88 C2' DC A 5 -59.498 33.185 9.155 1.00 36.48 C ANISOU 88 C2' DC A 5 4145 4523 5191 566 68 -222 C ATOM 89 C1' DC A 5 -59.046 31.733 9.184 1.00 33.72 C ANISOU 89 C1' DC A 5 3879 4240 4691 566 63 -249 C ATOM 90 N1 DC A 5 -59.360 30.981 10.404 1.00 33.34 N ANISOU 90 N1 DC A 5 3872 4246 4550 593 -2 -323 N ATOM 91 C2 DC A 5 -59.829 29.661 10.276 1.00 31.63 C ANISOU 91 C2 DC A 5 3721 4069 4224 585 16 -286 C ATOM 92 O2 DC A 5 -59.874 29.146 9.151 1.00 31.20 O ANISOU 92 O2 DC A 5 3695 4011 4145 551 66 -265 O ATOM 93 N3 DC A 5 -60.192 28.979 11.381 1.00 29.73 N ANISOU 93 N3 DC A 5 3481 3882 3930 629 -13 -276 N ATOM 94 C4 DC A 5 -60.127 29.567 12.578 1.00 33.02 C ANISOU 94 C4 DC A 5 3849 4379 4318 697 -72 -325 C ATOM 95 N4 DC A 5 -60.483 28.851 13.643 1.00 33.05 N ANISOU 95 N4 DC A 5 3828 4498 4229 775 -84 -265 N ATOM 96 C5 DC A 5 -59.653 30.905 12.739 1.00 32.95 C ANISOU 96 C5 DC A 5 3777 4343 4398 703 -118 -444 C ATOM 97 C6 DC A 5 -59.290 31.569 11.635 1.00 32.28 C ANISOU 97 C6 DC A 5 3680 4137 4445 641 -75 -426 C ATOM 98 P DC A 6 -59.712 34.106 5.584 1.00 42.16 P ANISOU 98 P DC A 6 4733 5408 5877 605 323 260 P ATOM 99 OP1 DC A 6 -58.368 34.269 5.019 1.00 47.49 O ANISOU 99 OP1 DC A 6 5316 6054 6675 639 404 357 O ATOM 100 OP2 DC A 6 -60.540 35.293 5.914 1.00 40.23 O ANISOU 100 OP2 DC A 6 4410 5070 5805 603 325 329 O ATOM 101 O5' DC A 6 -60.527 33.100 4.668 1.00 40.94 O ANISOU 101 O5' DC A 6 4663 5488 5401 619 323 257 O ATOM 102 C5' DC A 6 -59.913 31.897 4.201 1.00 39.02 C ANISOU 102 C5' DC A 6 4478 5341 5007 629 326 152 C ATOM 103 C4' DC A 6 -60.971 30.836 4.013 1.00 38.24 C ANISOU 103 C4' DC A 6 4459 5358 4710 604 262 10 C ATOM 104 O4' DC A 6 -61.300 30.260 5.292 1.00 33.86 O ANISOU 104 O4' DC A 6 3982 4648 4234 546 185 -110 O ATOM 105 C3' DC A 6 -62.287 31.316 3.403 1.00 38.12 C ANISOU 105 C3' DC A 6 4409 5504 4569 619 252 96 C ATOM 106 O3' DC A 6 -62.612 30.380 2.367 1.00 40.15 O ANISOU 106 O3' DC A 6 4661 5990 4603 648 234 -26 O ATOM 107 C2' DC A 6 -63.267 31.315 4.573 1.00 34.98 C ANISOU 107 C2' DC A 6 4074 4964 4252 555 174 38 C ATOM 108 C1' DC A 6 -62.710 30.221 5.472 1.00 32.85 C ANISOU 108 C1' DC A 6 3876 4558 4044 519 134 -119 C ATOM 109 N1 DC A 6 -62.946 30.329 6.922 1.00 28.79 N ANISOU 109 N1 DC A 6 3395 3907 3635 500 88 -137 N ATOM 110 C2 DC A 6 -63.396 29.206 7.637 1.00 29.21 C ANISOU 110 C2 DC A 6 3487 3919 3691 480 50 -207 C ATOM 111 O2 DC A 6 -63.726 28.186 7.016 1.00 30.67 O ANISOU 111 O2 DC A 6 3671 4131 3848 455 44 -282 O ATOM 112 N3 DC A 6 -63.527 29.289 8.976 1.00 28.15 N ANISOU 112 N3 DC A 6 3358 3733 3604 503 23 -191 N ATOM 113 C4 DC A 6 -63.173 30.406 9.612 1.00 27.39 C ANISOU 113 C4 DC A 6 3235 3618 3550 537 12 -186 C ATOM 114 N4 DC A 6 -63.311 30.439 10.935 1.00 28.73 N ANISOU 114 N4 DC A 6 3394 3808 3715 587 -23 -210 N ATOM 115 C5 DC A 6 -62.692 31.552 8.914 1.00 26.77 C ANISOU 115 C5 DC A 6 3110 3513 3546 534 42 -155 C ATOM 116 C6 DC A 6 -62.582 31.466 7.587 1.00 28.38 C ANISOU 116 C6 DC A 6 3304 3774 3702 520 92 -93 C ATOM 117 P DG A 7 -63.648 30.735 1.278 1.00 44.08 P ANISOU 117 P DG A 7 5076 6786 4883 706 229 51 P ATOM 118 OP1 DG A 7 -63.304 29.930 0.058 1.00 45.66 O ANISOU 118 OP1 DG A 7 5226 7279 4843 787 235 -96 O ATOM 119 OP2 DG A 7 -63.817 32.207 1.195 1.00 38.85 O ANISOU 119 OP2 DG A 7 4326 6131 4302 751 306 360 O ATOM 120 O5' DG A 7 -65.025 30.191 1.868 1.00 41.56 O ANISOU 120 O5' DG A 7 4810 6399 4579 621 117 -88 O ATOM 121 C5' DG A 7 -65.171 28.822 2.254 1.00 41.31 C ANISOU 121 C5' DG A 7 4832 6256 4606 555 44 -349 C ATOM 122 C4' DG A 7 -66.416 28.643 3.090 1.00 38.62 C ANISOU 122 C4' DG A 7 4515 5787 4369 481 -25 -362 C ATOM 123 O4' DG A 7 -66.173 29.082 4.451 1.00 36.08 O ANISOU 123 O4' DG A 7 4259 5231 4217 454 0 -248 O ATOM 124 C3' DG A 7 -67.645 29.430 2.625 1.00 40.55 C ANISOU 124 C3' DG A 7 4700 6209 4498 498 -52 -240 C ATOM 125 O3' DG A 7 -68.767 28.603 2.905 1.00 44.53 O ANISOU 125 O3' DG A 7 5189 6662 5066 431 -139 -378 O ATOM 126 C2' DG A 7 -67.675 30.607 3.579 1.00 35.90 C ANISOU 126 C2' DG A 7 4144 5456 4039 497 0 -22 C ATOM 127 C1' DG A 7 -67.261 29.893 4.840 1.00 34.18 C ANISOU 127 C1' DG A 7 4007 4994 3985 447 -15 -120 C ATOM 128 N9 DG A 7 -66.845 30.703 5.975 1.00 30.54 N ANISOU 128 N9 DG A 7 3579 4374 3650 459 16 -26 N ATOM 129 C8 DG A 7 -66.314 31.974 5.976 1.00 30.11 C ANISOU 129 C8 DG A 7 3487 4289 3663 497 70 92 C ATOM 130 N7 DG A 7 -65.999 32.394 7.172 1.00 29.25 N ANISOU 130 N7 DG A 7 3395 4033 3683 503 64 66 N ATOM 131 C5 DG A 7 -66.383 31.354 8.011 1.00 28.52 C ANISOU 131 C5 DG A 7 3359 3915 3562 485 17 -19 C ATOM 132 C6 DG A 7 -66.343 31.249 9.426 1.00 27.08 C ANISOU 132 C6 DG A 7 3193 3673 3423 516 -4 -57 C ATOM 133 O6 DG A 7 -65.898 32.063 10.250 1.00 28.04 O ANISOU 133 O6 DG A 7 3290 3756 3607 560 -10 -95 O ATOM 134 N1 DG A 7 -66.851 30.028 9.862 1.00 27.96 N ANISOU 134 N1 DG A 7 3321 3789 3512 508 -19 -57 N ATOM 135 C2 DG A 7 -67.307 29.021 9.038 1.00 27.85 C ANISOU 135 C2 DG A 7 3299 3781 3499 454 -26 -80 C ATOM 136 N2 DG A 7 -67.746 27.905 9.637 1.00 29.28 N ANISOU 136 N2 DG A 7 3454 3908 3762 450 -26 -60 N ATOM 137 N3 DG A 7 -67.359 29.113 7.725 1.00 29.45 N ANISOU 137 N3 DG A 7 3490 4057 3642 422 -32 -120 N ATOM 138 C4 DG A 7 -66.889 30.298 7.282 1.00 29.22 C ANISOU 138 C4 DG A 7 3453 4073 3575 449 -3 -62 C ATOM 139 P DG A 8 -69.922 28.413 1.845 1.00 50.15 P ANISOU 139 P DG A 8 5791 7646 5617 442 -226 -477 P ATOM 140 OP1 DG A 8 -69.335 27.877 0.626 1.00 50.84 O ANISOU 140 OP1 DG A 8 5811 7988 5518 505 -248 -681 O ATOM 141 OP2 DG A 8 -70.730 29.665 1.825 1.00 45.79 O ANISOU 141 OP2 DG A 8 5208 7198 4990 475 -203 -214 O ATOM 142 O5' DG A 8 -70.830 27.281 2.514 1.00 45.20 O ANISOU 142 O5' DG A 8 5141 6812 5219 343 -307 -647 O ATOM 143 C5' DG A 8 -70.286 26.069 3.040 1.00 43.09 C ANISOU 143 C5' DG A 8 4885 6302 5182 293 -305 -817 C ATOM 144 C4' DG A 8 -71.077 25.663 4.264 1.00 42.41 C ANISOU 144 C4' DG A 8 4794 5957 5360 230 -303 -716 C ATOM 145 O4' DG A 8 -70.660 26.447 5.407 1.00 37.75 O ANISOU 145 O4' DG A 8 4309 5259 4772 262 -220 -466 O ATOM 146 C3' DG A 8 -72.584 25.874 4.149 1.00 42.66 C ANISOU 146 C3' DG A 8 4744 6063 5400 198 -372 -676 C ATOM 147 O3' DG A 8 -73.218 24.794 4.813 1.00 45.99 O ANISOU 147 O3' DG A 8 5078 6245 6149 133 -388 -722 O ATOM 148 C2' DG A 8 -72.811 27.203 4.850 1.00 38.75 C ANISOU 148 C2' DG A 8 4335 5587 4798 241 -307 -380 C ATOM 149 C1' DG A 8 -71.757 27.167 5.939 1.00 35.84 C ANISOU 149 C1' DG A 8 4063 5033 4521 264 -223 -293 C ATOM 150 N9 DG A 8 -71.252 28.467 6.372 1.00 32.99 N ANISOU 150 N9 DG A 8 3782 4702 4047 322 -162 -127 N ATOM 151 C8 DG A 8 -70.815 29.506 5.581 1.00 32.28 C ANISOU 151 C8 DG A 8 3699 4757 3806 363 -139 -71 C ATOM 152 N7 DG A 8 -70.388 30.530 6.271 1.00 29.25 N ANISOU 152 N7 DG A 8 3357 4303 3453 403 -82 53 N ATOM 153 C5 DG A 8 -70.544 30.139 7.595 1.00 30.08 C ANISOU 153 C5 DG A 8 3495 4266 3665 402 -78 57 C ATOM 154 C6 DG A 8 -70.234 30.821 8.798 1.00 28.01 C ANISOU 154 C6 DG A 8 3263 3928 3449 455 -45 108 C ATOM 155 O6 DG A 8 -69.767 31.952 8.942 1.00 28.07 O ANISOU 155 O6 DG A 8 3268 3919 3477 491 -17 131 O ATOM 156 N1 DG A 8 -70.527 30.043 9.919 1.00 27.79 N ANISOU 156 N1 DG A 8 3236 3853 3469 477 -44 125 N ATOM 157 C2 DG A 8 -71.051 28.777 9.881 1.00 27.41 C ANISOU 157 C2 DG A 8 3147 3765 3500 438 -56 128 C ATOM 158 N2 DG A 8 -71.292 28.197 11.062 1.00 27.97 N ANISOU 158 N2 DG A 8 3186 3802 3638 491 -23 225 N ATOM 159 N3 DG A 8 -71.325 28.125 8.766 1.00 29.05 N ANISOU 159 N3 DG A 8 3318 3979 3738 367 -96 37 N ATOM 160 C4 DG A 8 -71.059 28.860 7.671 1.00 30.02 C ANISOU 160 C4 DG A 8 3457 4214 3734 359 -113 -10 C ATOM 161 P DT A 9 -74.792 24.636 4.757 1.00 48.57 P ANISOU 161 P DT A 9 5274 6578 6600 80 -465 -718 P ATOM 162 OP1 DT A 9 -75.105 23.196 4.939 1.00 50.18 O ANISOU 162 OP1 DT A 9 5321 6528 7216 8 -493 -885 O ATOM 163 OP2 DT A 9 -75.310 25.374 3.592 1.00 47.73 O ANISOU 163 OP2 DT A 9 5132 6801 6202 105 -551 -794 O ATOM 164 O5' DT A 9 -75.265 25.435 6.040 1.00 42.97 O ANISOU 164 O5' DT A 9 4642 5787 5897 115 -375 -366 O ATOM 165 C5' DT A 9 -74.772 25.062 7.333 1.00 42.46 C ANISOU 165 C5' DT A 9 4616 5517 5997 145 -274 -200 C ATOM 166 C4' DT A 9 -75.197 26.094 8.349 1.00 41.12 C ANISOU 166 C4' DT A 9 4518 5393 5711 215 -207 67 C ATOM 167 O4' DT A 9 -74.410 27.309 8.211 1.00 38.56 O ANISOU 167 O4' DT A 9 4323 5198 5127 269 -185 87 O ATOM 168 C3' DT A 9 -76.668 26.523 8.249 1.00 42.38 C ANISOU 168 C3' DT A 9 4603 5619 5878 198 -241 162 C ATOM 169 O3' DT A 9 -77.225 26.562 9.550 1.00 46.75 O ANISOU 169 O3' DT A 9 5135 6098 6527 259 -156 401 O ATOM 170 C2' DT A 9 -76.598 27.962 7.775 1.00 40.12 C ANISOU 170 C2' DT A 9 4408 5522 5312 240 -245 203 C ATOM 171 C1' DT A 9 -75.280 28.397 8.415 1.00 36.19 C ANISOU 171 C1' DT A 9 4031 4987 4729 302 -174 229 C ATOM 172 N1 DT A 9 -74.653 29.615 7.858 1.00 34.28 N ANISOU 172 N1 DT A 9 3858 4859 4307 337 -162 231 N ATOM 173 C2 DT A 9 -74.162 30.550 8.748 1.00 32.85 C ANISOU 173 C2 DT A 9 3740 4641 4099 407 -98 311 C ATOM 174 O2 DT A 9 -74.162 30.388 9.961 1.00 33.19 O ANISOU 174 O2 DT A 9 3798 4623 4190 457 -61 359 O ATOM 175 N3 DT A 9 -73.613 31.661 8.162 1.00 30.90 N ANISOU 175 N3 DT A 9 3510 4448 3782 431 -77 329 N ATOM 176 C4 DT A 9 -73.529 31.941 6.813 1.00 31.03 C ANISOU 176 C4 DT A 9 3485 4597 3707 416 -95 335 C ATOM 177 O4 DT A 9 -73.030 32.998 6.443 1.00 33.04 O ANISOU 177 O4 DT A 9 3724 4879 3952 458 -45 420 O ATOM 178 C5 DT A 9 -74.072 30.927 5.936 1.00 33.78 C ANISOU 178 C5 DT A 9 3777 5056 3999 365 -172 233 C ATOM 179 C7 DT A 9 -74.016 31.142 4.455 1.00 36.17 C ANISOU 179 C7 DT A 9 4009 5605 4129 385 -203 215 C ATOM 180 C6 DT A 9 -74.606 29.831 6.494 1.00 33.83 C ANISOU 180 C6 DT A 9 3766 4959 4128 317 -209 159 C ATOM 181 P DG A 10 -78.402 25.588 9.950 1.00 46.17 P ANISOU 181 P DG A 10 4881 5885 6773 226 -144 516 P ATOM 182 OP1 DG A 10 -77.928 24.198 9.773 1.00 49.57 O ANISOU 182 OP1 DG A 10 5203 6120 7509 166 -151 397 O ATOM 183 OP2 DG A 10 -79.611 26.023 9.245 1.00 48.37 O ANISOU 183 OP2 DG A 10 5091 6255 7031 175 -223 492 O ATOM 184 O5' DG A 10 -78.535 25.892 11.502 1.00 42.68 O ANISOU 184 O5' DG A 10 4456 5461 6299 359 -13 815 O ATOM 185 C5' DG A 10 -77.405 25.743 12.361 1.00 40.39 C ANISOU 185 C5' DG A 10 4229 5177 5938 451 62 876 C ATOM 186 C4' DG A 10 -77.491 26.711 13.515 1.00 38.99 C ANISOU 186 C4' DG A 10 4113 5172 5530 602 136 1037 C ATOM 187 O4' DG A 10 -77.107 28.051 13.108 1.00 35.70 O ANISOU 187 O4' DG A 10 3836 4863 4863 604 87 881 O ATOM 188 C3' DG A 10 -78.873 26.853 14.129 1.00 39.43 C ANISOU 188 C3' DG A 10 4064 5274 5643 664 195 1260 C ATOM 189 O3' DG A 10 -78.647 27.035 15.523 1.00 42.15 O ANISOU 189 O3' DG A 10 4395 5777 5841 850 299 1440 O ATOM 190 C2' DG A 10 -79.459 28.054 13.391 1.00 37.04 C ANISOU 190 C2' DG A 10 3838 5042 5192 615 127 1146 C ATOM 191 C1' DG A 10 -78.230 28.937 13.161 1.00 35.26 C ANISOU 191 C1' DG A 10 3766 4882 4749 630 94 956 C ATOM 192 N9 DG A 10 -78.141 29.783 11.972 1.00 32.93 N ANISOU 192 N9 DG A 10 3535 4603 4372 548 21 810 N ATOM 193 C8 DG A 10 -78.469 29.468 10.673 1.00 32.26 C ANISOU 193 C8 DG A 10 3411 4503 4341 431 -61 722 C ATOM 194 N7 DG A 10 -78.108 30.389 9.817 1.00 31.61 N ANISOU 194 N7 DG A 10 3384 4500 4126 416 -92 646 N ATOM 195 C5 DG A 10 -77.475 31.351 10.594 1.00 29.23 C ANISOU 195 C5 DG A 10 3158 4203 3744 505 -30 663 C ATOM 196 C6 DG A 10 -76.825 32.559 10.220 1.00 28.57 C ANISOU 196 C6 DG A 10 3118 4140 3595 530 -15 623 C ATOM 197 O6 DG A 10 -76.717 33.062 9.094 1.00 29.32 O ANISOU 197 O6 DG A 10 3196 4289 3656 495 -36 627 O ATOM 198 N1 DG A 10 -76.303 33.223 11.328 1.00 26.94 N ANISOU 198 N1 DG A 10 2947 3905 3384 623 34 586 N ATOM 199 C2 DG A 10 -76.359 32.761 12.623 1.00 29.34 C ANISOU 199 C2 DG A 10 3249 4234 3664 706 65 597 C ATOM 200 N2 DG A 10 -75.789 33.534 13.563 1.00 29.17 N ANISOU 200 N2 DG A 10 3239 4243 3600 811 90 498 N ATOM 201 N3 DG A 10 -76.923 31.622 12.974 1.00 29.57 N ANISOU 201 N3 DG A 10 3236 4273 3726 702 74 702 N ATOM 202 C4 DG A 10 -77.453 30.971 11.919 1.00 30.63 C ANISOU 202 C4 DG A 10 3331 4362 3942 588 26 725 C ATOM 203 P DG A 11 -79.867 27.078 16.542 1.00 48.70 P ANISOU 203 P DG A 11 5094 6724 6683 991 409 1736 P ATOM 204 OP1 DG A 11 -79.425 26.436 17.798 1.00 53.10 O ANISOU 204 OP1 DG A 11 5552 7421 7203 1175 528 1977 O ATOM 205 OP2 DG A 11 -81.100 26.608 15.838 1.00 47.45 O ANISOU 205 OP2 DG A 11 4817 6397 6814 865 386 1816 O ATOM 206 O5' DG A 11 -80.061 28.639 16.787 1.00 42.74 O ANISOU 206 O5' DG A 11 4457 6153 5628 1074 391 1605 O ATOM 207 C5' DG A 11 -78.974 29.451 17.280 1.00 38.74 C ANISOU 207 C5' DG A 11 4060 5794 4863 1171 372 1415 C ATOM 208 C4' DG A 11 -79.383 30.906 17.323 1.00 38.28 C ANISOU 208 C4' DG A 11 4062 5818 4665 1217 357 1269 C ATOM 209 O4' DG A 11 -79.170 31.541 16.024 1.00 35.91 O ANISOU 209 O4' DG A 11 3853 5354 4436 1049 267 1088 O ATOM 210 C3' DG A 11 -80.850 31.162 17.700 1.00 38.16 C ANISOU 210 C3' DG A 11 3954 5868 4675 1291 429 1458 C ATOM 211 O3' DG A 11 -80.884 32.025 18.844 1.00 39.88 O ANISOU 211 O3' DG A 11 4157 6324 4670 1502 486 1394 O ATOM 212 C2' DG A 11 -81.469 31.741 16.427 1.00 36.35 C ANISOU 212 C2' DG A 11 3764 5470 4574 1121 360 1387 C ATOM 213 C1' DG A 11 -80.291 32.363 15.705 1.00 34.93 C ANISOU 213 C1' DG A 11 3703 5217 4348 1037 278 1131 C ATOM 214 N9 DG A 11 -80.394 32.420 14.243 1.00 33.05 N ANISOU 214 N9 DG A 11 3491 4848 4216 863 200 1085 N ATOM 215 C8 DG A 11 -80.914 31.462 13.406 1.00 32.41 C ANISOU 215 C8 DG A 11 3353 4692 4268 737 151 1155 C ATOM 216 N7 DG A 11 -80.833 31.787 12.145 1.00 32.79 N ANISOU 216 N7 DG A 11 3422 4716 4320 629 75 1064 N ATOM 217 C5 DG A 11 -80.183 33.013 12.148 1.00 30.64 C ANISOU 217 C5 DG A 11 3222 4464 3955 679 95 978 C ATOM 218 C6 DG A 11 -79.814 33.857 11.072 1.00 29.09 C ANISOU 218 C6 DG A 11 3044 4268 3741 630 65 927 C ATOM 219 O6 DG A 11 -79.993 33.687 9.865 1.00 29.70 O ANISOU 219 O6 DG A 11 3086 4392 3805 549 5 938 O ATOM 220 N1 DG A 11 -79.182 35.009 11.520 1.00 28.73 N ANISOU 220 N1 DG A 11 3028 4184 3702 706 115 859 N ATOM 221 C2 DG A 11 -78.959 35.326 12.836 1.00 30.19 C ANISOU 221 C2 DG A 11 3228 4372 3870 820 163 781 C ATOM 222 N2 DG A 11 -78.342 36.492 13.067 1.00 31.03 N ANISOU 222 N2 DG A 11 3327 4417 4044 875 190 654 N ATOM 223 N3 DG A 11 -79.328 34.564 13.852 1.00 32.42 N ANISOU 223 N3 DG A 11 3499 4730 4088 891 187 826 N ATOM 224 C4 DG A 11 -79.938 33.433 13.437 1.00 31.89 C ANISOU 224 C4 DG A 11 3400 4661 4056 813 162 958 C ATOM 225 P DC A 12 -82.285 32.473 19.519 1.00 44.51 P ANISOU 225 P DC A 12 4643 7053 5215 1648 587 1562 P ATOM 226 OP1 DC A 12 -82.013 32.803 20.927 1.00 44.89 O ANISOU 226 OP1 DC A 12 4635 7437 4983 1918 654 1511 O ATOM 227 OP2 DC A 12 -83.322 31.466 19.170 1.00 41.92 O ANISOU 227 OP2 DC A 12 4207 6609 5109 1567 634 1886 O ATOM 228 O5' DC A 12 -82.619 33.840 18.764 1.00 41.92 O ANISOU 228 O5' DC A 12 4385 6589 4952 1561 535 1351 O ATOM 229 C5' DC A 12 -81.714 34.951 18.922 1.00 42.75 C ANISOU 229 C5' DC A 12 4555 6711 4976 1607 489 1020 C ATOM 230 C4' DC A 12 -81.900 35.985 17.837 1.00 41.23 C ANISOU 230 C4' DC A 12 4401 6296 4967 1469 448 915 C ATOM 231 O4' DC A 12 -81.677 35.435 16.528 1.00 37.57 O ANISOU 231 O4' DC A 12 3989 5656 4628 1260 379 996 O ATOM 232 C3' DC A 12 -83.292 36.585 17.758 1.00 41.57 C ANISOU 232 C3' DC A 12 4373 6322 5098 1500 514 1052 C ATOM 233 O3' DC A 12 -83.384 37.653 18.686 1.00 45.55 O ANISOU 233 O3' DC A 12 4829 6930 5547 1681 568 852 O ATOM 234 C2' DC A 12 -83.382 37.059 16.311 1.00 38.68 C ANISOU 234 C2' DC A 12 4032 5741 4923 1314 461 1079 C ATOM 235 C1' DC A 12 -82.220 36.355 15.601 1.00 37.78 C ANISOU 235 C1' DC A 12 4000 5558 4796 1180 372 1013 C ATOM 236 N1 DC A 12 -82.608 35.605 14.391 1.00 35.31 N ANISOU 236 N1 DC A 12 3683 5177 4553 1014 314 1168 N ATOM 237 C2 DC A 12 -82.289 36.142 13.145 1.00 33.41 C ANISOU 237 C2 DC A 12 3456 4854 4382 906 265 1141 C ATOM 238 O2 DC A 12 -81.714 37.238 13.095 1.00 32.04 O ANISOU 238 O2 DC A 12 3287 4614 4270 941 290 1034 O ATOM 239 N3 DC A 12 -82.626 35.462 12.025 1.00 32.68 N ANISOU 239 N3 DC A 12 3339 4772 4303 781 194 1231 N ATOM 240 C4 DC A 12 -83.261 34.292 12.120 1.00 32.45 C ANISOU 240 C4 DC A 12 3266 4767 4294 739 165 1315 C ATOM 241 N4 DC A 12 -83.574 33.658 10.989 1.00 34.33 N ANISOU 241 N4 DC A 12 3454 5023 4567 618 74 1326 N ATOM 242 C5 DC A 12 -83.581 33.710 13.380 1.00 35.02 C ANISOU 242 C5 DC A 12 3567 5117 4622 833 232 1389 C ATOM 243 C6 DC A 12 -83.247 34.398 14.480 1.00 35.48 C ANISOU 243 C6 DC A 12 3657 5231 4591 981 308 1329 C TER 244 DC A 12 ATOM 245 O5' DG B 1 -83.319 40.060 2.873 1.00 52.76 O ANISOU 245 O5' DG B 1 5157 8759 6128 1860 -877 1377 O ATOM 246 C5' DG B 1 -81.929 40.288 2.591 1.00 48.60 C ANISOU 246 C5' DG B 1 4795 8219 5450 1878 -746 1503 C ATOM 247 C4' DG B 1 -81.254 41.002 3.742 1.00 45.36 C ANISOU 247 C4' DG B 1 4534 7379 5320 1730 -499 1635 C ATOM 248 O4' DG B 1 -81.686 40.448 5.009 1.00 41.01 O ANISOU 248 O4' DG B 1 4004 6562 5015 1523 -498 1409 O ATOM 249 C3' DG B 1 -79.732 40.878 3.748 1.00 43.36 C ANISOU 249 C3' DG B 1 4435 7034 5006 1660 -390 1638 C ATOM 250 O3' DG B 1 -79.167 42.056 4.336 1.00 45.08 O ANISOU 250 O3' DG B 1 4713 6944 5468 1642 -161 1862 O ATOM 251 C2' DG B 1 -79.515 39.620 4.561 1.00 40.62 C ANISOU 251 C2' DG B 1 4152 6557 4724 1438 -472 1290 C ATOM 252 C1' DG B 1 -80.634 39.701 5.602 1.00 40.17 C ANISOU 252 C1' DG B 1 4036 6306 4920 1355 -461 1230 C ATOM 253 N9 DG B 1 -81.182 38.414 6.017 1.00 38.95 N ANISOU 253 N9 DG B 1 3819 6139 4839 1229 -579 953 N ATOM 254 C8 DG B 1 -81.567 37.369 5.210 1.00 41.09 C ANISOU 254 C8 DG B 1 3963 6634 5012 1242 -779 735 C ATOM 255 N7 DG B 1 -82.008 36.340 5.882 1.00 40.31 N ANISOU 255 N7 DG B 1 3795 6390 5129 1100 -809 526 N ATOM 256 C5 DG B 1 -81.916 36.732 7.210 1.00 37.10 C ANISOU 256 C5 DG B 1 3494 5700 4900 1018 -614 643 C ATOM 257 C6 DG B 1 -82.253 36.036 8.401 1.00 35.88 C ANISOU 257 C6 DG B 1 3322 5323 4985 904 -515 575 C ATOM 258 O6 DG B 1 -82.725 34.898 8.522 1.00 37.04 O ANISOU 258 O6 DG B 1 3335 5418 5317 825 -561 417 O ATOM 259 N1 DG B 1 -81.984 36.798 9.533 1.00 33.89 N ANISOU 259 N1 DG B 1 3205 4899 4772 907 -331 714 N ATOM 260 C2 DG B 1 -81.471 38.074 9.523 1.00 34.11 C ANISOU 260 C2 DG B 1 3343 4908 4708 977 -261 855 C ATOM 261 N2 DG B 1 -81.261 38.642 10.722 1.00 32.63 N ANISOU 261 N2 DG B 1 3251 4551 4595 977 -109 888 N ATOM 262 N3 DG B 1 -81.159 38.736 8.420 1.00 35.59 N ANISOU 262 N3 DG B 1 3528 5237 4757 1063 -322 953 N ATOM 263 C4 DG B 1 -81.399 38.007 7.309 1.00 36.58 C ANISOU 263 C4 DG B 1 3549 5589 4757 1092 -493 861 C ATOM 264 P DC B 2 -77.555 42.239 4.471 1.00 49.61 P ANISOU 264 P DC B 2 5404 7344 6101 1566 -10 1902 P ATOM 265 OP1 DC B 2 -77.236 43.605 4.047 1.00 49.83 O ANISOU 265 OP1 DC B 2 5373 7263 6296 1711 199 2272 O ATOM 266 OP2 DC B 2 -76.855 41.032 3.907 1.00 49.04 O ANISOU 266 OP2 DC B 2 5388 7493 5749 1535 -130 1717 O ATOM 267 O5' DC B 2 -77.283 42.071 6.039 1.00 44.48 O ANISOU 267 O5' DC B 2 4844 6350 5704 1342 24 1651 O ATOM 268 C5' DC B 2 -77.992 42.892 6.984 1.00 45.57 C ANISOU 268 C5' DC B 2 4951 6252 6110 1324 104 1661 C ATOM 269 C4' DC B 2 -77.580 42.551 8.396 1.00 43.45 C ANISOU 269 C4' DC B 2 4776 5772 5961 1164 117 1393 C ATOM 270 O4' DC B 2 -78.143 41.282 8.788 1.00 42.58 O ANISOU 270 O4' DC B 2 4687 5780 5710 1092 -6 1202 O ATOM 271 C3' DC B 2 -76.075 42.443 8.637 1.00 42.66 C ANISOU 271 C3' DC B 2 4755 5565 5887 1076 159 1299 C ATOM 272 O3' DC B 2 -75.786 43.153 9.849 1.00 43.74 O ANISOU 272 O3' DC B 2 4904 5443 6270 1026 237 1157 O ATOM 273 C2' DC B 2 -75.824 40.945 8.694 1.00 39.88 C ANISOU 273 C2' DC B 2 4476 5375 5302 991 31 1114 C ATOM 274 C1' DC B 2 -77.126 40.403 9.255 1.00 38.79 C ANISOU 274 C1' DC B 2 4305 5278 5152 983 -31 1026 C ATOM 275 N1 DC B 2 -77.520 39.043 8.843 1.00 36.40 N ANISOU 275 N1 DC B 2 3978 5150 4701 947 -158 920 N ATOM 276 C2 DC B 2 -77.921 38.126 9.821 1.00 33.76 C ANISOU 276 C2 DC B 2 3649 4756 4421 874 -163 778 C ATOM 277 O2 DC B 2 -77.848 38.454 11.017 1.00 34.33 O ANISOU 277 O2 DC B 2 3775 4692 4577 866 -69 748 O ATOM 278 N3 DC B 2 -78.331 36.894 9.443 1.00 32.17 N ANISOU 278 N3 DC B 2 3378 4650 4194 832 -259 673 N ATOM 279 C4 DC B 2 -78.421 36.592 8.145 1.00 35.10 C ANISOU 279 C4 DC B 2 3678 5212 4446 872 -385 645 C ATOM 280 N4 DC B 2 -78.867 35.378 7.813 1.00 35.87 N ANISOU 280 N4 DC B 2 3672 5376 4581 826 -495 469 N ATOM 281 C5 DC B 2 -78.023 37.509 7.129 1.00 36.06 C ANISOU 281 C5 DC B 2 3813 5470 4417 982 -393 794 C ATOM 282 C6 DC B 2 -77.598 38.716 7.519 1.00 36.47 C ANISOU 282 C6 DC B 2 3928 5383 4545 1013 -258 960 C ATOM 283 P DC B 3 -74.265 43.434 10.296 1.00 49.84 P ANISOU 283 P DC B 3 5700 6041 7193 946 283 1022 P ATOM 284 OP1 DC B 3 -74.247 44.709 11.068 1.00 49.62 O ANISOU 284 OP1 DC B 3 5596 5735 7523 960 381 934 O ATOM 285 OP2 DC B 3 -73.352 43.227 9.127 1.00 43.90 O ANISOU 285 OP2 DC B 3 4938 5376 6365 955 310 1198 O ATOM 286 O5' DC B 3 -74.000 42.244 11.328 1.00 40.88 O ANISOU 286 O5' DC B 3 4671 5002 5857 867 173 750 O ATOM 287 C5' DC B 3 -74.760 42.239 12.532 1.00 37.87 C ANISOU 287 C5' DC B 3 4310 4601 5476 893 165 592 C ATOM 288 C4' DC B 3 -74.449 41.004 13.329 1.00 33.61 C ANISOU 288 C4' DC B 3 3857 4192 4721 862 97 437 C ATOM 289 O4' DC B 3 -74.932 39.834 12.636 1.00 31.05 O ANISOU 289 O4' DC B 3 3545 4020 4232 834 47 543 O ATOM 290 C3' DC B 3 -72.960 40.777 13.569 1.00 31.85 C ANISOU 290 C3' DC B 3 3667 3953 4481 809 58 300 C ATOM 291 O3' DC B 3 -72.816 40.619 14.981 1.00 33.41 O ANISOU 291 O3' DC B 3 3899 4193 4602 864 36 86 O ATOM 292 C2' DC B 3 -72.644 39.538 12.749 1.00 29.41 C ANISOU 292 C2' DC B 3 3400 3782 3992 755 10 394 C ATOM 293 C1' DC B 3 -73.966 38.813 12.712 1.00 29.42 C ANISOU 293 C1' DC B 3 3395 3880 3900 779 1 466 C ATOM 294 N1 DC B 3 -74.197 37.928 11.565 1.00 29.14 N ANISOU 294 N1 DC B 3 3340 3960 3772 746 -54 548 N ATOM 295 C2 DC B 3 -74.769 36.670 11.780 1.00 29.35 C ANISOU 295 C2 DC B 3 3352 4049 3751 724 -81 510 C ATOM 296 O2 DC B 3 -74.947 36.282 12.942 1.00 29.16 O ANISOU 296 O2 DC B 3 3348 3995 3736 747 -28 471 O ATOM 297 N3 DC B 3 -75.067 35.891 10.717 1.00 30.47 N ANISOU 297 N3 DC B 3 3438 4287 3852 698 -157 509 N ATOM 298 C4 DC B 3 -74.856 36.344 9.479 1.00 29.49 C ANISOU 298 C4 DC B 3 3293 4260 3650 729 -206 568 C ATOM 299 N4 DC B 3 -75.166 35.545 8.462 1.00 29.40 N ANISOU 299 N4 DC B 3 3216 4397 3556 736 -305 507 N ATOM 300 C5 DC B 3 -74.285 37.627 9.231 1.00 30.71 C ANISOU 300 C5 DC B 3 3470 4367 3827 774 -142 689 C ATOM 301 C6 DC B 3 -73.993 38.385 10.292 1.00 30.06 C ANISOU 301 C6 DC B 3 3422 4124 3873 764 -67 665 C ATOM 302 P DA B 4 -71.383 40.646 15.667 1.00 33.85 P ANISOU 302 P DA B 4 3952 4249 4658 858 -29 -143 P ATOM 303 OP1 DA B 4 -71.596 41.076 17.072 1.00 35.36 O ANISOU 303 OP1 DA B 4 4137 4493 4803 981 -48 -388 O ATOM 304 OP2 DA B 4 -70.436 41.393 14.803 1.00 34.05 O ANISOU 304 OP2 DA B 4 3899 4100 4935 772 -16 -120 O ATOM 305 O5' DA B 4 -70.989 39.114 15.675 1.00 29.15 O ANISOU 305 O5' DA B 4 3434 3829 3812 843 -66 -77 O ATOM 306 C5' DA B 4 -71.785 38.181 16.413 1.00 28.74 C ANISOU 306 C5' DA B 4 3430 3920 3570 927 -34 -23 C ATOM 307 C4' DA B 4 -71.386 36.775 16.056 1.00 27.90 C ANISOU 307 C4' DA B 4 3357 3891 3353 883 -40 83 C ATOM 308 O4' DA B 4 -71.794 36.483 14.688 1.00 25.89 O ANISOU 308 O4' DA B 4 3081 3581 3172 779 -41 219 O ATOM 309 C3' DA B 4 -69.874 36.526 16.109 1.00 28.24 C ANISOU 309 C3' DA B 4 3408 3961 3358 857 -107 -18 C ATOM 310 O3' DA B 4 -69.659 35.184 16.548 1.00 29.63 O ANISOU 310 O3' DA B 4 3613 4250 3393 906 -84 53 O ATOM 311 C2' DA B 4 -69.473 36.634 14.652 1.00 25.47 C ANISOU 311 C2' DA B 4 3039 3515 3124 729 -117 64 C ATOM 312 C1' DA B 4 -70.657 35.941 14.034 1.00 26.02 C ANISOU 312 C1' DA B 4 3111 3607 3165 711 -82 209 C ATOM 313 N9 DA B 4 -70.832 36.063 12.578 1.00 24.29 N ANISOU 313 N9 DA B 4 2866 3374 2987 649 -95 302 N ATOM 314 C8 DA B 4 -70.373 37.016 11.710 1.00 25.00 C ANISOU 314 C8 DA B 4 2928 3415 3154 633 -84 357 C ATOM 315 N7 DA B 4 -70.672 36.775 10.450 1.00 26.09 N ANISOU 315 N7 DA B 4 3046 3634 3232 634 -94 461 N ATOM 316 C5 DA B 4 -71.353 35.568 10.495 1.00 24.67 C ANISOU 316 C5 DA B 4 2867 3530 2975 621 -139 412 C ATOM 317 C6 DA B 4 -71.890 34.744 9.492 1.00 25.94 C ANISOU 317 C6 DA B 4 2984 3803 3067 620 -199 398 C ATOM 318 N6 DA B 4 -71.866 35.045 8.189 1.00 27.86 N ANISOU 318 N6 DA B 4 3197 4175 3210 671 -231 456 N ATOM 319 N1 DA B 4 -72.480 33.589 9.876 1.00 25.17 N ANISOU 319 N1 DA B 4 2850 3690 3020 588 -219 315 N ATOM 320 C2 DA B 4 -72.498 33.280 11.181 1.00 26.68 C ANISOU 320 C2 DA B 4 3066 3790 3279 586 -152 319 C ATOM 321 N3 DA B 4 -72.015 33.966 12.216 1.00 24.95 N ANISOU 321 N3 DA B 4 2907 3531 3040 622 -103 337 N ATOM 322 C4 DA B 4 -71.419 35.096 11.799 1.00 25.06 C ANISOU 322 C4 DA B 4 2942 3534 3043 623 -116 347 C ATOM 323 P DC B 5 -68.863 34.856 17.902 1.00 29.42 P ANISOU 323 P DC B 5 3596 4397 3183 1064 -111 -43 P ATOM 324 OP1 DC B 5 -69.303 35.797 18.933 1.00 31.96 O ANISOU 324 OP1 DC B 5 3909 4804 3430 1202 -124 -192 O ATOM 325 OP2 DC B 5 -67.424 34.759 17.582 1.00 28.70 O ANISOU 325 OP2 DC B 5 3485 4301 3119 1004 -199 -139 O ATOM 326 O5' DC B 5 -69.356 33.371 18.193 1.00 30.61 O ANISOU 326 O5' DC B 5 3758 4612 3258 1133 5 182 O ATOM 327 C5' DC B 5 -70.747 33.108 18.465 1.00 29.72 C ANISOU 327 C5' DC B 5 3629 4484 3177 1188 129 335 C ATOM 328 C4' DC B 5 -71.067 31.668 18.152 1.00 29.87 C ANISOU 328 C4' DC B 5 3605 4431 3314 1156 240 538 C ATOM 329 O4' DC B 5 -71.252 31.509 16.721 1.00 27.19 O ANISOU 329 O4' DC B 5 3236 3932 3160 957 181 502 O ATOM 330 C3' DC B 5 -70.002 30.648 18.556 1.00 30.24 C ANISOU 330 C3' DC B 5 3650 4548 3289 1231 267 610 C ATOM 331 O3' DC B 5 -70.675 29.478 18.996 1.00 32.21 O ANISOU 331 O3' DC B 5 3830 4757 3648 1319 455 860 O ATOM 332 C2' DC B 5 -69.219 30.412 17.271 1.00 28.18 C ANISOU 332 C2' DC B 5 3391 4162 3152 1040 169 512 C ATOM 333 C1' DC B 5 -70.271 30.608 16.188 1.00 27.06 C ANISOU 333 C1' DC B 5 3215 3881 3182 894 157 493 C ATOM 334 N1 DC B 5 -69.792 31.188 14.922 1.00 25.76 N ANISOU 334 N1 DC B 5 3072 3675 3039 757 39 363 N ATOM 335 C2 DC B 5 -70.222 30.637 13.704 1.00 26.32 C ANISOU 335 C2 DC B 5 3092 3673 3233 652 16 339 C ATOM 336 O2 DC B 5 -70.944 29.615 13.720 1.00 26.91 O ANISOU 336 O2 DC B 5 3086 3673 3466 644 82 387 O ATOM 337 N3 DC B 5 -69.809 31.204 12.544 1.00 24.35 N ANISOU 337 N3 DC B 5 2860 3447 2943 583 -69 261 N ATOM 338 C4 DC B 5 -69.057 32.309 12.572 1.00 24.23 C ANISOU 338 C4 DC B 5 2893 3460 2853 591 -102 239 C ATOM 339 N4 DC B 5 -68.690 32.847 11.410 1.00 23.47 N ANISOU 339 N4 DC B 5 2794 3381 2740 551 -137 232 N ATOM 340 C5 DC B 5 -68.626 32.898 13.797 1.00 25.12 C ANISOU 340 C5 DC B 5 3033 3591 2919 660 -94 215 C ATOM 341 C6 DC B 5 -69.023 32.318 14.935 1.00 25.29 C ANISOU 341 C6 DC B 5 3054 3654 2898 754 -38 262 C ATOM 342 P DC B 6 -69.876 28.298 19.688 1.00 36.75 P ANISOU 342 P DC B 6 4375 5406 4180 1473 567 1051 P ATOM 343 OP1 DC B 6 -70.858 27.547 20.539 1.00 38.44 O ANISOU 343 OP1 DC B 6 4504 5617 4481 1648 818 1364 O ATOM 344 OP2 DC B 6 -68.610 28.822 20.242 1.00 36.03 O ANISOU 344 OP2 DC B 6 4349 5540 3799 1584 428 910 O ATOM 345 O5' DC B 6 -69.421 27.396 18.476 1.00 33.33 O ANISOU 345 O5' DC B 6 3895 4748 4018 1271 542 1011 O ATOM 346 C5' DC B 6 -70.399 26.808 17.638 1.00 34.38 C ANISOU 346 C5' DC B 6 3931 4648 4482 1122 604 1027 C ATOM 347 C4' DC B 6 -69.689 26.274 16.430 1.00 36.59 C ANISOU 347 C4' DC B 6 4196 4801 4906 954 508 865 C ATOM 348 O4' DC B 6 -69.207 27.359 15.593 1.00 33.18 O ANISOU 348 O4' DC B 6 3858 4448 4299 844 314 640 O ATOM 349 C3' DC B 6 -68.461 25.422 16.790 1.00 37.26 C ANISOU 349 C3' DC B 6 4278 4905 4972 1039 563 955 C ATOM 350 O3' DC B 6 -68.770 24.160 16.225 1.00 41.20 O ANISOU 350 O3' DC B 6 4643 5158 5851 961 672 986 O ATOM 351 C2' DC B 6 -67.280 26.216 16.236 1.00 37.93 C ANISOU 351 C2' DC B 6 4466 5106 4837 970 373 746 C ATOM 352 C1' DC B 6 -67.932 26.999 15.102 1.00 35.28 C ANISOU 352 C1' DC B 6 4150 4719 4533 806 257 560 C ATOM 353 N1 DC B 6 -67.258 28.233 14.599 1.00 33.40 N ANISOU 353 N1 DC B 6 3997 4581 4112 750 110 409 N ATOM 354 C2 DC B 6 -67.320 28.504 13.231 1.00 32.31 C ANISOU 354 C2 DC B 6 3858 4405 4011 627 32 283 C ATOM 355 O2 DC B 6 -67.926 27.716 12.488 1.00 31.96 O ANISOU 355 O2 DC B 6 3746 4277 4118 569 46 236 O ATOM 356 N3 DC B 6 -66.711 29.609 12.746 1.00 31.57 N ANISOU 356 N3 DC B 6 3814 4374 3806 594 -48 214 N ATOM 357 C4 DC B 6 -66.083 30.441 13.570 1.00 30.73 C ANISOU 357 C4 DC B 6 3737 4326 3613 647 -76 206 C ATOM 358 N4 DC B 6 -65.531 31.536 13.045 1.00 31.33 N ANISOU 358 N4 DC B 6 3818 4401 3683 603 -129 145 N ATOM 359 C5 DC B 6 -66.007 30.198 14.976 1.00 33.82 C ANISOU 359 C5 DC B 6 4129 4789 3932 773 -46 257 C ATOM 360 C6 DC B 6 -66.594 29.085 15.441 1.00 33.27 C ANISOU 360 C6 DC B 6 4029 4695 3915 836 58 388 C ATOM 361 P DG B 7 -67.922 22.814 16.619 1.00 39.46 P ANISOU 361 P DG B 7 4342 4834 5817 1061 834 1171 P ATOM 362 OP1 DG B 7 -68.823 21.935 17.363 1.00 44.04 O ANISOU 362 OP1 DG B 7 4769 5253 6711 1169 1093 1466 O ATOM 363 OP2 DG B 7 -66.618 23.216 17.179 1.00 41.13 O ANISOU 363 OP2 DG B 7 4663 5282 5682 1184 757 1200 O ATOM 364 O5' DG B 7 -67.719 22.155 15.195 1.00 37.38 O ANISOU 364 O5' DG B 7 4007 4358 5834 863 758 902 O ATOM 365 C5' DG B 7 -68.852 21.848 14.367 1.00 37.35 C ANISOU 365 C5' DG B 7 3876 4160 6152 721 742 731 C ATOM 366 C4' DG B 7 -68.354 21.554 12.979 1.00 37.01 C ANISOU 366 C4' DG B 7 3819 4068 6173 584 595 394 C ATOM 367 O4' DG B 7 -67.784 22.774 12.439 1.00 33.80 O ANISOU 367 O4' DG B 7 3587 3916 5336 556 404 259 O ATOM 368 C3' DG B 7 -67.233 20.506 12.953 1.00 35.86 C ANISOU 368 C3' DG B 7 3631 3804 6187 622 688 419 C ATOM 369 O3' DG B 7 -67.412 19.614 11.852 1.00 38.46 O ANISOU 369 O3' DG B 7 3814 3931 6865 511 658 117 O ATOM 370 C2' DG B 7 -65.965 21.339 12.873 1.00 34.33 C ANISOU 370 C2' DG B 7 3622 3866 5554 657 564 396 C ATOM 371 C1' DG B 7 -66.406 22.590 12.137 1.00 33.57 C ANISOU 371 C1' DG B 7 3625 3946 5184 572 376 211 C ATOM 372 N9 DG B 7 -65.714 23.820 12.512 1.00 31.92 N ANISOU 372 N9 DG B 7 3567 3960 4601 617 290 276 N ATOM 373 C8 DG B 7 -65.407 24.251 13.781 1.00 30.60 C ANISOU 373 C8 DG B 7 3452 3902 4271 738 332 475 C ATOM 374 N7 DG B 7 -64.836 25.424 13.798 1.00 29.99 N ANISOU 374 N7 DG B 7 3471 3988 3935 737 214 415 N ATOM 375 C5 DG B 7 -64.806 25.811 12.464 1.00 28.85 C ANISOU 375 C5 DG B 7 3346 3840 3776 619 123 234 C ATOM 376 C6 DG B 7 -64.313 26.995 11.864 1.00 27.30 C ANISOU 376 C6 DG B 7 3213 3749 3408 578 26 154 C ATOM 377 O6 DG B 7 -63.781 27.969 12.409 1.00 28.96 O ANISOU 377 O6 DG B 7 3462 4038 3502 607 -17 178 O ATOM 378 N1 DG B 7 -64.439 26.960 10.482 1.00 27.38 N ANISOU 378 N1 DG B 7 3215 3770 3418 516 -11 29 N ATOM 379 C2 DG B 7 -65.018 25.941 9.769 1.00 29.44 C ANISOU 379 C2 DG B 7 3405 3962 3817 487 -2 -89 C ATOM 380 N2 DG B 7 -65.070 26.101 8.438 1.00 29.87 N ANISOU 380 N2 DG B 7 3455 4116 3778 474 -67 -239 N ATOM 381 N3 DG B 7 -65.490 24.831 10.318 1.00 30.99 N ANISOU 381 N3 DG B 7 3518 4006 4250 491 75 -68 N ATOM 382 C4 DG B 7 -65.365 24.842 11.660 1.00 29.39 C ANISOU 382 C4 DG B 7 3332 3780 4054 560 153 133 C ATOM 383 P DG B 8 -66.475 18.370 11.666 1.00 41.45 P ANISOU 383 P DG B 8 4098 4108 7543 533 774 83 P ATOM 384 OP1 DG B 8 -67.269 17.291 11.057 1.00 43.61 O ANISOU 384 OP1 DG B 8 4123 4058 8387 441 824 -160 O ATOM 385 OP2 DG B 8 -65.742 18.133 12.948 1.00 40.60 O ANISOU 385 OP2 DG B 8 4028 4015 7380 695 957 499 O ATOM 386 O5' DG B 8 -65.378 18.889 10.622 1.00 38.84 O ANISOU 386 O5' DG B 8 3915 4005 6834 502 588 -176 O ATOM 387 C5' DG B 8 -65.748 19.437 9.337 1.00 39.78 C ANISOU 387 C5' DG B 8 4063 4278 6772 420 385 -531 C ATOM 388 C4' DG B 8 -64.589 20.206 8.744 1.00 38.12 C ANISOU 388 C4' DG B 8 4024 4332 6128 451 284 -579 C ATOM 389 O4' DG B 8 -64.307 21.377 9.536 1.00 36.24 O ANISOU 389 O4' DG B 8 3935 4269 5562 489 267 -315 O ATOM 390 C3' DG B 8 -63.272 19.429 8.664 1.00 39.98 C ANISOU 390 C3' DG B 8 4251 4496 6444 498 374 -578 C ATOM 391 O3' DG B 8 -62.965 19.159 7.298 1.00 44.69 O ANISOU 391 O3' DG B 8 4823 5167 6989 487 288 -929 O ATOM 392 C2' DG B 8 -62.245 20.340 9.326 1.00 37.54 C ANISOU 392 C2' DG B 8 4093 4374 5795 558 372 -320 C ATOM 393 C1' DG B 8 -62.929 21.678 9.396 1.00 34.00 C ANISOU 393 C1' DG B 8 3744 4109 5066 530 259 -276 C ATOM 394 N9 DG B 8 -62.538 22.508 10.531 1.00 31.50 N ANISOU 394 N9 DG B 8 3512 3894 4560 585 266 -25 N ATOM 395 C8 DG B 8 -62.642 22.186 11.862 1.00 32.69 C ANISOU 395 C8 DG B 8 3636 3991 4792 670 363 212 C ATOM 396 N7 DG B 8 -62.265 23.153 12.653 1.00 32.54 N ANISOU 396 N7 DG B 8 3696 4141 4524 730 308 328 N ATOM 397 C5 DG B 8 -61.900 24.178 11.794 1.00 31.22 C ANISOU 397 C5 DG B 8 3599 4087 4175 655 190 181 C ATOM 398 C6 DG B 8 -61.401 25.485 12.072 1.00 30.81 C ANISOU 398 C6 DG B 8 3609 4178 3920 661 100 190 C ATOM 399 O6 DG B 8 -61.197 26.016 13.169 1.00 30.90 O ANISOU 399 O6 DG B 8 3630 4278 3832 736 68 268 O ATOM 400 N1 DG B 8 -61.172 26.202 10.907 1.00 29.63 N ANISOU 400 N1 DG B 8 3486 4071 3698 588 50 81 N ATOM 401 C2 DG B 8 -61.391 25.731 9.635 1.00 28.45 C ANISOU 401 C2 DG B 8 3325 3906 3576 549 62 -38 C ATOM 402 N2 DG B 8 -61.106 26.571 8.639 1.00 29.33 N ANISOU 402 N2 DG B 8 3463 4119 3560 536 37 -74 N ATOM 403 N3 DG B 8 -61.846 24.519 9.362 1.00 30.40 N ANISOU 403 N3 DG B 8 3516 4051 3984 544 105 -123 N ATOM 404 C4 DG B 8 -62.065 23.798 10.481 1.00 31.64 C ANISOU 404 C4 DG B 8 3630 4093 4299 582 176 0 C ATOM 405 P DT B 9 -61.686 18.345 6.915 1.00 47.88 P ANISOU 405 P DT B 9 5203 5508 7479 538 371 -1014 P ATOM 406 OP1 DT B 9 -62.004 17.564 5.710 1.00 48.99 O ANISOU 406 OP1 DT B 9 5220 5605 7788 530 311 -1458 O ATOM 407 OP2 DT B 9 -61.145 17.663 8.144 1.00 43.99 O ANISOU 407 OP2 DT B 9 4663 4799 7250 581 548 -700 O ATOM 408 O5' DT B 9 -60.625 19.493 6.579 1.00 44.65 O ANISOU 408 O5' DT B 9 4964 5400 6597 585 316 -905 O ATOM 409 C5' DT B 9 -60.905 20.602 5.706 1.00 41.46 C ANISOU 409 C5' DT B 9 4651 5274 5827 593 192 -992 C ATOM 410 C4' DT B 9 -59.714 21.538 5.696 1.00 38.96 C ANISOU 410 C4' DT B 9 4443 5127 5232 636 219 -793 C ATOM 411 O4' DT B 9 -59.720 22.315 6.922 1.00 36.15 O ANISOU 411 O4' DT B 9 4140 4746 4849 605 219 -513 O ATOM 412 C3' DT B 9 -58.343 20.834 5.660 1.00 39.37 C ANISOU 412 C3' DT B 9 4465 5114 5377 686 326 -778 C ATOM 413 O3' DT B 9 -57.358 21.568 4.924 1.00 37.89 O ANISOU 413 O3' DT B 9 4333 5126 4938 743 349 -735 O ATOM 414 C2' DT B 9 -57.909 20.866 7.109 1.00 38.02 C ANISOU 414 C2' DT B 9 4294 4823 5325 675 375 -494 C ATOM 415 C1' DT B 9 -58.424 22.236 7.496 1.00 35.47 C ANISOU 415 C1' DT B 9 4054 4634 4787 639 286 -361 C ATOM 416 N1 DT B 9 -58.518 22.561 8.953 1.00 34.72 N ANISOU 416 N1 DT B 9 3970 4500 4722 646 278 -142 N ATOM 417 C2 DT B 9 -58.192 23.845 9.334 1.00 32.76 C ANISOU 417 C2 DT B 9 3772 4376 4298 639 212 -44 C ATOM 418 O2 DT B 9 -57.859 24.712 8.544 1.00 32.81 O ANISOU 418 O2 DT B 9 3805 4481 4179 618 190 -77 O ATOM 419 N3 DT B 9 -58.275 24.081 10.682 1.00 31.18 N ANISOU 419 N3 DT B 9 3568 4184 4091 680 186 95 N ATOM 420 C4 DT B 9 -58.625 23.180 11.670 1.00 32.67 C ANISOU 420 C4 DT B 9 3718 4298 4396 754 249 215 C ATOM 421 O4 DT B 9 -58.675 23.550 12.843 1.00 32.21 O ANISOU 421 O4 DT B 9 3664 4326 4248 835 220 342 O ATOM 422 C5 DT B 9 -58.953 21.848 11.203 1.00 34.85 C ANISOU 422 C5 DT B 9 3930 4396 4914 748 356 169 C ATOM 423 C7 DT B 9 -59.332 20.798 12.201 1.00 38.36 C ANISOU 423 C7 DT B 9 4294 4704 5576 840 485 358 C ATOM 424 C6 DT B 9 -58.884 21.608 9.886 1.00 35.73 C ANISOU 424 C6 DT B 9 4036 4478 5062 683 350 -41 C ATOM 425 P DG B 10 -56.969 21.140 3.432 1.00 43.02 P ANISOU 425 P DG B 10 4962 5935 5449 847 381 -991 P ATOM 426 OP1 DG B 10 -58.214 20.939 2.672 1.00 42.89 O ANISOU 426 OP1 DG B 10 4920 6014 5362 866 270 -1272 O ATOM 427 OP2 DG B 10 -55.981 20.035 3.522 1.00 41.43 O ANISOU 427 OP2 DG B 10 4692 5580 5469 880 489 -1053 O ATOM 428 O5' DG B 10 -56.239 22.455 2.910 1.00 40.83 O ANISOU 428 O5' DG B 10 4749 5888 4875 910 427 -781 O ATOM 429 C5' DG B 10 -56.970 23.683 2.773 1.00 39.98 C ANISOU 429 C5' DG B 10 4696 5921 4571 903 366 -654 C ATOM 430 C4' DG B 10 -56.060 24.873 2.995 1.00 40.35 C ANISOU 430 C4' DG B 10 4753 5996 4580 901 449 -357 C ATOM 431 O4' DG B 10 -55.797 25.072 4.407 1.00 36.09 O ANISOU 431 O4' DG B 10 4199 5258 4253 787 414 -225 O ATOM 432 C3' DG B 10 -54.688 24.806 2.337 1.00 41.63 C ANISOU 432 C3' DG B 10 4874 6230 4713 994 601 -289 C ATOM 433 O3' DG B 10 -54.339 26.146 1.975 1.00 44.61 O ANISOU 433 O3' DG B 10 5238 6704 5006 1034 691 -33 O ATOM 434 C2' DG B 10 -53.804 24.211 3.426 1.00 38.99 C ANISOU 434 C2' DG B 10 4487 5676 4651 914 612 -250 C ATOM 435 C1' DG B 10 -54.422 24.761 4.709 1.00 35.97 C ANISOU 435 C1' DG B 10 4122 5170 4374 798 495 -155 C ATOM 436 N9 DG B 10 -54.456 23.892 5.873 1.00 34.15 N ANISOU 436 N9 DG B 10 3869 4777 4327 753 444 -179 N ATOM 437 C8 DG B 10 -54.758 22.552 5.902 1.00 36.47 C ANISOU 437 C8 DG B 10 4143 4967 4744 771 462 -318 C ATOM 438 N7 DG B 10 -54.894 22.086 7.116 1.00 35.06 N ANISOU 438 N7 DG B 10 3939 4657 4725 752 439 -230 N ATOM 439 C5 DG B 10 -54.753 23.201 7.929 1.00 32.26 C ANISOU 439 C5 DG B 10 3600 4363 4294 725 368 -78 C ATOM 440 C6 DG B 10 -54.795 23.316 9.340 1.00 31.22 C ANISOU 440 C6 DG B 10 3450 4209 4203 741 308 46 C ATOM 441 O6 DG B 10 -54.976 22.431 10.173 1.00 32.36 O ANISOU 441 O6 DG B 10 3563 4278 4452 797 336 119 O ATOM 442 N1 DG B 10 -54.526 24.614 9.756 1.00 30.14 N ANISOU 442 N1 DG B 10 3309 4158 3982 715 224 93 N ATOM 443 C2 DG B 10 -54.306 25.682 8.918 1.00 29.90 C ANISOU 443 C2 DG B 10 3282 4175 3903 666 232 76 C ATOM 444 N2 DG B 10 -54.091 26.862 9.508 1.00 29.98 N ANISOU 444 N2 DG B 10 3251 4206 3934 636 157 104 N ATOM 445 N3 DG B 10 -54.288 25.593 7.597 1.00 30.67 N ANISOU 445 N3 DG B 10 3402 4306 3944 671 320 36 N ATOM 446 C4 DG B 10 -54.500 24.327 7.176 1.00 31.91 C ANISOU 446 C4 DG B 10 3574 4429 4120 707 368 -63 C ATOM 447 P DG B 11 -52.997 26.456 1.167 1.00 51.19 P ANISOU 447 P DG B 11 6001 7631 5815 1154 900 138 P ATOM 448 OP1 DG B 11 -53.213 27.729 0.408 1.00 53.47 O ANISOU 448 OP1 DG B 11 6279 8078 5957 1255 1011 388 O ATOM 449 OP2 DG B 11 -52.573 25.225 0.465 1.00 50.20 O ANISOU 449 OP2 DG B 11 5876 7603 5593 1266 953 -75 O ATOM 450 O5' DG B 11 -51.936 26.750 2.312 1.00 45.69 O ANISOU 450 O5' DG B 11 5209 6689 5460 1022 912 269 O ATOM 451 C5' DG B 11 -52.072 27.909 3.145 1.00 43.57 C ANISOU 451 C5' DG B 11 4897 6288 5366 910 855 411 C ATOM 452 C4' DG B 11 -51.046 27.867 4.250 1.00 40.89 C ANISOU 452 C4' DG B 11 4447 5770 5319 816 810 416 C ATOM 453 O4' DG B 11 -51.420 26.860 5.217 1.00 39.17 O ANISOU 453 O4' DG B 11 4284 5494 5103 769 658 252 O ATOM 454 C3' DG B 11 -49.616 27.530 3.804 1.00 43.44 C ANISOU 454 C3' DG B 11 4652 6086 5767 877 965 486 C ATOM 455 O3' DG B 11 -48.772 28.587 4.267 1.00 45.19 O ANISOU 455 O3' DG B 11 4701 6173 6296 810 997 619 O ATOM 456 C2' DG B 11 -49.337 26.175 4.442 1.00 40.65 C ANISOU 456 C2' DG B 11 4315 5686 5443 872 879 323 C ATOM 457 C1' DG B 11 -50.244 26.203 5.648 1.00 37.61 C ANISOU 457 C1' DG B 11 3989 5233 5066 782 680 244 C ATOM 458 N9 DG B 11 -50.636 24.913 6.206 1.00 33.72 N ANISOU 458 N9 DG B 11 3554 4704 4553 797 610 126 N ATOM 459 C8 DG B 11 -50.908 23.745 5.531 1.00 34.54 C ANISOU 459 C8 DG B 11 3711 4819 4594 857 673 3 C ATOM 460 N7 DG B 11 -51.250 22.763 6.324 1.00 33.39 N ANISOU 460 N7 DG B 11 3571 4571 4545 853 620 -50 N ATOM 461 C5 DG B 11 -51.223 23.322 7.593 1.00 31.55 C ANISOU 461 C5 DG B 11 3309 4316 4362 815 509 57 C ATOM 462 C6 DG B 11 -51.501 22.742 8.857 1.00 31.45 C ANISOU 462 C6 DG B 11 3283 4251 4415 842 439 109 C ATOM 463 O6 DG B 11 -51.850 21.580 9.112 1.00 33.25 O ANISOU 463 O6 DG B 11 3510 4384 4737 888 489 107 O ATOM 464 N1 DG B 11 -51.331 23.658 9.888 1.00 29.41 N ANISOU 464 N1 DG B 11 2986 4061 4125 835 316 173 N ATOM 465 C2 DG B 11 -50.947 24.970 9.726 1.00 29.97 C ANISOU 465 C2 DG B 11 3014 4178 4196 776 266 160 C ATOM 466 N2 DG B 11 -50.839 25.699 10.843 1.00 30.13 N ANISOU 466 N2 DG B 11 2973 4253 4222 782 123 148 N ATOM 467 N3 DG B 11 -50.692 25.525 8.553 1.00 30.46 N ANISOU 467 N3 DG B 11 3071 4234 4267 735 363 160 N ATOM 468 C4 DG B 11 -50.845 24.649 7.537 1.00 31.97 C ANISOU 468 C4 DG B 11 3322 4423 4401 772 482 123 C ATOM 469 P DC B 12 -47.262 28.697 3.836 1.00 49.12 P ANISOU 469 P DC B 12 5008 6620 7035 853 1183 755 P ATOM 470 OP1 DC B 12 -46.936 30.134 3.691 1.00 51.64 O ANISOU 470 OP1 DC B 12 5160 6815 7645 813 1298 949 O ATOM 471 OP2 DC B 12 -46.996 27.761 2.705 1.00 46.93 O ANISOU 471 OP2 DC B 12 4799 6503 6527 1005 1352 767 O ATOM 472 O5' DC B 12 -46.508 28.209 5.144 1.00 48.66 O ANISOU 472 O5' DC B 12 4839 6451 7196 774 1004 611 O ATOM 473 C5' DC B 12 -46.704 28.940 6.374 1.00 46.53 C ANISOU 473 C5' DC B 12 4494 6085 7097 666 796 514 C ATOM 474 C4' DC B 12 -46.462 28.054 7.573 1.00 43.63 C ANISOU 474 C4' DC B 12 4119 5748 6709 673 596 360 C ATOM 475 O4' DC B 12 -47.355 26.932 7.571 1.00 39.93 O ANISOU 475 O4' DC B 12 3855 5361 5953 725 568 312 O ATOM 476 C3' DC B 12 -45.087 27.420 7.658 1.00 45.45 C ANISOU 476 C3' DC B 12 4184 5966 7116 723 637 374 C ATOM 477 O3' DC B 12 -44.112 28.344 8.170 1.00 51.06 O ANISOU 477 O3' DC B 12 4629 6586 8183 665 572 341 O ATOM 478 C2' DC B 12 -45.332 26.220 8.565 1.00 41.64 C ANISOU 478 C2' DC B 12 3790 5563 6469 789 494 290 C ATOM 479 C1' DC B 12 -46.851 26.042 8.552 1.00 38.61 C ANISOU 479 C1' DC B 12 3636 5214 5819 775 457 258 C ATOM 480 N1 DC B 12 -47.318 24.690 8.226 1.00 35.22 N ANISOU 480 N1 DC B 12 3341 4799 5241 843 529 250 N ATOM 481 C2 DC B 12 -47.761 23.864 9.262 1.00 34.05 C ANISOU 481 C2 DC B 12 3236 4662 5040 895 426 237 C ATOM 482 O2 DC B 12 -47.757 24.303 10.424 1.00 33.84 O ANISOU 482 O2 DC B 12 3152 4695 5008 909 266 230 O ATOM 483 N3 DC B 12 -48.193 22.616 8.975 1.00 33.53 N ANISOU 483 N3 DC B 12 3250 4542 4945 947 516 228 N ATOM 484 C4 DC B 12 -48.169 22.176 7.714 1.00 35.27 C ANISOU 484 C4 DC B 12 3514 4732 5154 953 664 166 C ATOM 485 N4 DC B 12 -48.603 20.938 7.475 1.00 36.31 N ANISOU 485 N4 DC B 12 3691 4780 5323 999 735 93 N ATOM 486 C5 DC B 12 -47.712 22.993 6.640 1.00 36.15 C ANISOU 486 C5 DC B 12 3604 4901 5228 934 758 174 C ATOM 487 C6 DC B 12 -47.305 24.233 6.937 1.00 36.01 C ANISOU 487 C6 DC B 12 3500 4902 5277 878 706 251 C TER 488 DC B 12 ATOM 489 CA GLY C 586 -76.563 24.015 19.476 1.00 53.59 C ANISOU 489 CA GLY C 586 7476 6855 6028 -1087 706 1107 C ATOM 490 C GLY C 586 -75.384 24.961 19.435 1.00 50.05 C ANISOU 490 C GLY C 586 7064 6390 5562 -736 628 985 C ATOM 491 O GLY C 586 -74.247 24.514 19.273 1.00 53.23 O ANISOU 491 O GLY C 586 7696 6559 5966 -625 552 875 O ATOM 492 N LYS C 587 -75.652 26.270 19.603 1.00 45.73 N ANISOU 492 N LYS C 587 6276 6069 5027 -558 663 1013 N ATOM 493 CA LYS C 587 -74.629 27.348 19.473 1.00 39.99 C ANISOU 493 CA LYS C 587 5552 5351 4291 -268 585 899 C ATOM 494 C LYS C 587 -74.593 28.224 20.700 1.00 38.89 C ANISOU 494 C LYS C 587 5436 5262 4076 -48 710 943 C ATOM 495 O LYS C 587 -75.637 28.677 21.182 1.00 38.58 O ANISOU 495 O LYS C 587 5229 5374 4055 -64 888 1045 O ATOM 496 CB LYS C 587 -74.906 28.258 18.281 1.00 37.54 C ANISOU 496 CB LYS C 587 4977 5229 4056 -282 491 867 C ATOM 497 CG LYS C 587 -74.626 27.643 16.955 1.00 36.79 C ANISOU 497 CG LYS C 587 4938 5079 3959 -487 351 765 C ATOM 498 CD LYS C 587 -75.007 28.589 15.795 1.00 35.64 C ANISOU 498 CD LYS C 587 4551 5149 3839 -541 229 784 C ATOM 499 CE LYS C 587 -74.065 29.785 15.661 1.00 32.04 C ANISOU 499 CE LYS C 587 4090 4695 3385 -266 201 702 C ATOM 500 NZ LYS C 587 -74.412 30.603 14.441 1.00 31.34 N ANISOU 500 NZ LYS C 587 3819 4785 3301 -352 64 751 N ATOM 501 N ARG C 588 -73.392 28.500 21.206 1.00 37.08 N ANISOU 501 N ARG C 588 5411 4908 3769 145 630 864 N ATOM 502 CA ARG C 588 -73.284 29.309 22.416 1.00 38.44 C ANISOU 502 CA ARG C 588 5692 5107 3804 300 731 880 C ATOM 503 C ARG C 588 -73.395 30.754 22.065 1.00 36.47 C ANISOU 503 C ARG C 588 5254 4988 3612 447 772 811 C ATOM 504 O ARG C 588 -73.016 31.197 20.950 1.00 36.70 O ANISOU 504 O ARG C 588 5136 5050 3757 480 640 739 O ATOM 505 CB ARG C 588 -71.988 29.078 23.161 1.00 38.06 C ANISOU 505 CB ARG C 588 5931 4894 3636 408 576 855 C ATOM 506 CG ARG C 588 -71.796 27.689 23.705 1.00 40.34 C ANISOU 506 CG ARG C 588 6449 5004 3871 308 526 969 C ATOM 507 CD ARG C 588 -70.427 27.574 24.329 1.00 42.06 C ANISOU 507 CD ARG C 588 6876 5076 4026 446 305 984 C ATOM 508 NE ARG C 588 -69.378 27.806 23.340 1.00 40.37 N ANISOU 508 NE ARG C 588 6513 4816 4009 569 141 859 N ATOM 509 CZ ARG C 588 -68.060 27.893 23.596 1.00 41.87 C ANISOU 509 CZ ARG C 588 6751 4913 4241 711 -72 858 C ATOM 510 NH1 ARG C 588 -67.212 28.110 22.587 1.00 40.11 N ANISOU 510 NH1 ARG C 588 6347 4664 4227 805 -149 735 N ATOM 511 NH2 ARG C 588 -67.580 27.747 24.821 1.00 42.16 N ANISOU 511 NH2 ARG C 588 7007 4895 4116 739 -215 992 N ATOM 512 N LYS C 589 -73.898 31.511 23.024 1.00 38.09 N ANISOU 512 N LYS C 589 5501 5244 3728 531 980 829 N ATOM 513 CA LYS C 589 -74.003 32.945 22.903 1.00 36.47 C ANISOU 513 CA LYS C 589 5177 5096 3582 699 1068 762 C ATOM 514 C LYS C 589 -72.899 33.566 23.729 1.00 36.00 C ANISOU 514 C LYS C 589 5424 4925 3329 804 1003 642 C ATOM 515 O LYS C 589 -72.477 32.979 24.741 1.00 36.43 O ANISOU 515 O LYS C 589 5768 4903 3168 745 975 659 O ATOM 516 CB LYS C 589 -75.394 33.415 23.400 1.00 39.51 C ANISOU 516 CB LYS C 589 5391 5582 4038 730 1411 849 C ATOM 517 CG ALYS C 589 -76.562 32.904 22.544 0.50 39.65 C ANISOU 517 CG ALYS C 589 5023 5752 4288 599 1434 1004 C ATOM 518 CD ALYS C 589 -77.846 33.671 22.819 0.50 41.48 C ANISOU 518 CD ALYS C 589 4956 6097 4709 702 1757 1106 C ATOM 519 CE ALYS C 589 -78.897 33.372 21.777 0.50 42.54 C ANISOU 519 CE ALYS C 589 4628 6415 5120 573 1675 1291 C ATOM 520 NZ ALYS C 589 -79.517 32.048 21.987 0.50 43.86 N ANISOU 520 NZ ALYS C 589 4762 6641 5258 292 1712 1395 N ATOM 521 N ARG C 590 -72.442 34.757 23.326 1.00 36.08 N ANISOU 521 N ARG C 590 5385 4921 3400 931 960 541 N ATOM 522 CA ARG C 590 -71.438 35.523 24.074 1.00 37.56 C ANISOU 522 CA ARG C 590 5851 5010 3409 989 890 416 C ATOM 523 C ARG C 590 -71.906 35.739 25.533 1.00 40.57 C ANISOU 523 C ARG C 590 6528 5352 3532 971 1143 395 C ATOM 524 O ARG C 590 -73.100 35.714 25.799 1.00 42.22 O ANISOU 524 O ARG C 590 6645 5612 3782 983 1454 455 O ATOM 525 CB ARG C 590 -71.179 36.869 23.412 1.00 37.93 C ANISOU 525 CB ARG C 590 5794 5034 3584 1105 885 323 C ATOM 526 CG ARG C 590 -72.319 37.899 23.596 1.00 42.43 C ANISOU 526 CG ARG C 590 6278 5597 4245 1233 1219 327 C ATOM 527 CD ARG C 590 -72.384 38.994 22.548 1.00 43.29 C ANISOU 527 CD ARG C 590 6174 5686 4586 1354 1198 329 C ATOM 528 NE AARG C 590 -71.523 40.162 22.783 0.50 44.33 N ANISOU 528 NE AARG C 590 6530 5668 4646 1406 1170 178 N ATOM 529 CZ AARG C 590 -71.816 41.252 23.510 0.50 44.31 C ANISOU 529 CZ AARG C 590 6718 5515 4601 1511 1434 78 C ATOM 530 NH1AARG C 590 -72.952 41.397 24.185 0.50 48.43 N ANISOU 530 NH1AARG C 590 7236 6013 5150 1612 1804 101 N ATOM 531 NH2AARG C 590 -70.925 42.215 23.575 0.50 43.25 N ANISOU 531 NH2AARG C 590 6796 5236 4401 1500 1352 -61 N ATOM 532 N CYS C 591 -70.960 35.973 26.440 1.00 39.73 N ANISOU 532 N CYS C 591 6768 5165 3161 923 1012 313 N ATOM 533 CA CYS C 591 -71.259 36.065 27.899 1.00 41.82 C ANISOU 533 CA CYS C 591 7425 5388 3075 839 1221 283 C ATOM 534 C CYS C 591 -71.865 37.429 28.235 1.00 43.83 C ANISOU 534 C CYS C 591 7769 5578 3303 938 1585 130 C ATOM 535 O CYS C 591 -72.734 37.547 29.128 1.00 46.39 O ANISOU 535 O CYS C 591 8278 5884 3463 919 1972 105 O ATOM 536 CB CYS C 591 -69.987 35.762 28.741 1.00 42.64 C ANISOU 536 CB CYS C 591 7886 5439 2873 705 875 283 C ATOM 537 SG CYS C 591 -68.746 37.071 28.972 1.00 39.76 S ANISOU 537 SG CYS C 591 7733 4998 2374 676 645 96 S ATOM 538 N GLY C 592 -71.396 38.445 27.512 1.00 42.88 N ANISOU 538 N GLY C 592 7531 5401 3357 1042 1491 27 N ATOM 539 CA GLY C 592 -71.881 39.817 27.619 1.00 45.55 C ANISOU 539 CA GLY C 592 7930 5619 3756 1173 1815 -112 C ATOM 540 C GLY C 592 -71.180 40.664 28.673 1.00 47.97 C ANISOU 540 C GLY C 592 8745 5771 3709 1067 1841 -319 C ATOM 541 O GLY C 592 -71.469 41.861 28.761 1.00 52.64 O ANISOU 541 O GLY C 592 9448 6203 4350 1171 2117 -467 O ATOM 542 N VAL C 593 -70.296 40.056 29.486 1.00 47.31 N ANISOU 542 N VAL C 593 8986 5719 3270 852 1551 -318 N ATOM 543 CA AVAL C 593 -69.667 40.766 30.625 0.50 50.27 C ANISOU 543 CA AVAL C 593 9908 5973 3219 669 1536 -504 C ATOM 544 CA BVAL C 593 -69.680 40.732 30.643 0.50 50.45 C ANISOU 544 CA BVAL C 593 9932 5998 3236 667 1537 -499 C ATOM 545 C VAL C 593 -68.138 40.717 30.686 1.00 49.16 C ANISOU 545 C VAL C 593 9883 5856 2940 483 977 -503 C ATOM 546 O VAL C 593 -67.526 41.442 31.477 1.00 51.76 O ANISOU 546 O VAL C 593 10633 6090 2940 292 893 -660 O ATOM 547 CB AVAL C 593 -70.272 40.302 31.983 0.50 53.58 C ANISOU 547 CB AVAL C 593 10758 6393 3205 521 1816 -513 C ATOM 548 CB BVAL C 593 -70.203 40.120 31.963 0.50 53.66 C ANISOU 548 CB BVAL C 593 10746 6426 3214 509 1759 -481 C ATOM 549 CG1AVAL C 593 -71.769 40.517 31.962 0.50 54.99 C ANISOU 549 CG1AVAL C 593 10788 6538 3566 710 2431 -533 C ATOM 550 CG1BVAL C 593 -69.936 41.062 33.102 0.50 57.99 C ANISOU 550 CG1BVAL C 593 11906 6822 3304 324 1911 -721 C ATOM 551 CG2AVAL C 593 -69.971 38.835 32.281 0.50 52.93 C ANISOU 551 CG2AVAL C 593 10671 6459 2980 387 1500 -278 C ATOM 552 CG2BVAL C 593 -71.696 39.833 31.871 0.50 54.25 C ANISOU 552 CG2BVAL C 593 10597 6533 3481 672 2280 -416 C ATOM 553 N CYS C 594 -67.514 39.907 29.853 1.00 46.51 N ANISOU 553 N CYS C 594 9172 5636 2861 524 610 -334 N ATOM 554 CA CYS C 594 -66.060 39.870 29.777 1.00 44.91 C ANISOU 554 CA CYS C 594 8955 5465 2643 391 107 -308 C ATOM 555 C CYS C 594 -65.560 41.184 29.153 1.00 45.22 C ANISOU 555 C CYS C 594 8930 5407 2843 401 94 -478 C ATOM 556 O CYS C 594 -66.357 41.956 28.545 1.00 44.35 O ANISOU 556 O CYS C 594 8709 5205 2935 566 443 -567 O ATOM 557 CB CYS C 594 -65.617 38.609 28.985 1.00 42.87 C ANISOU 557 CB CYS C 594 8290 5319 2678 477 -177 -93 C ATOM 558 SG CYS C 594 -66.126 38.468 27.221 1.00 34.09 S ANISOU 558 SG CYS C 594 6625 4243 2082 712 -22 -60 S ATOM 559 N GLU C 595 -64.278 41.477 29.311 1.00 46.52 N ANISOU 559 N GLU C 595 9156 5581 2938 219 -302 -503 N ATOM 560 CA GLU C 595 -63.725 42.720 28.760 1.00 46.61 C ANISOU 560 CA GLU C 595 9134 5488 3088 176 -327 -657 C ATOM 561 C GLU C 595 -63.919 42.805 27.224 1.00 43.39 C ANISOU 561 C GLU C 595 8242 5096 3146 400 -224 -602 C ATOM 562 O GLU C 595 -64.430 43.829 26.714 1.00 42.16 O ANISOU 562 O GLU C 595 8092 4805 3121 495 47 -708 O ATOM 563 CB GLU C 595 -62.254 42.903 29.187 1.00 49.18 C ANISOU 563 CB GLU C 595 9544 5858 3285 -101 -818 -658 C ATOM 564 CG GLU C 595 -61.554 44.146 28.624 1.00 50.25 C ANISOU 564 CG GLU C 595 9637 5887 3569 -207 -877 -805 C ATOM 565 CD GLU C 595 -60.534 44.756 29.591 1.00 55.22 C ANISOU 565 CD GLU C 595 10620 6488 3871 -585 -1222 -903 C ATOM 566 N PRO C 596 -63.585 41.725 26.480 1.00 40.52 N ANISOU 566 N PRO C 596 7493 4878 3023 486 -413 -432 N ATOM 567 CA PRO C 596 -63.931 41.785 25.042 1.00 38.10 C ANISOU 567 CA PRO C 596 6810 4590 3076 660 -273 -392 C ATOM 568 C PRO C 596 -65.415 42.044 24.771 1.00 38.98 C ANISOU 568 C PRO C 596 6909 4654 3248 836 121 -391 C ATOM 569 O PRO C 596 -65.714 42.815 23.897 1.00 39.45 O ANISOU 569 O PRO C 596 6830 4654 3505 926 253 -408 O ATOM 570 CB PRO C 596 -63.502 40.425 24.529 1.00 35.33 C ANISOU 570 CB PRO C 596 6159 4369 2893 705 -470 -238 C ATOM 571 CG PRO C 596 -62.361 40.060 25.412 1.00 37.55 C ANISOU 571 CG PRO C 596 6546 4684 3037 553 -825 -196 C ATOM 572 CD PRO C 596 -62.736 40.555 26.773 1.00 40.05 C ANISOU 572 CD PRO C 596 7320 4937 2957 421 -774 -275 C ATOM 573 N CYS C 597 -66.322 41.457 25.558 1.00 40.32 N ANISOU 573 N CYS C 597 7220 4846 3254 873 305 -352 N ATOM 574 CA CYS C 597 -67.769 41.594 25.311 1.00 40.23 C ANISOU 574 CA CYS C 597 7105 4818 3360 1044 683 -314 C ATOM 575 C CYS C 597 -68.254 43.021 25.583 1.00 42.44 C ANISOU 575 C CYS C 597 7585 4906 3632 1119 987 -456 C ATOM 576 O CYS C 597 -69.263 43.467 25.012 1.00 41.16 O ANISOU 576 O CYS C 597 7226 4703 3709 1308 1256 -401 O ATOM 577 CB CYS C 597 -68.583 40.613 26.162 1.00 42.35 C ANISOU 577 CB CYS C 597 7475 5157 3459 1033 841 -237 C ATOM 578 SG CYS C 597 -68.836 38.969 25.426 1.00 39.16 S ANISOU 578 SG CYS C 597 6725 4921 3230 1044 694 -29 S ATOM 579 N GLN C 598 -67.546 43.719 26.463 1.00 43.29 N ANISOU 579 N GLN C 598 8087 4884 3475 965 935 -628 N ATOM 580 CA GLN C 598 -67.910 45.065 26.822 1.00 46.75 C ANISOU 580 CA GLN C 598 8805 5078 3878 1011 1246 -802 C ATOM 581 C GLN C 598 -67.316 46.099 25.872 1.00 45.43 C ANISOU 581 C GLN C 598 8531 4785 3943 1025 1137 -838 C ATOM 582 O GLN C 598 -67.708 47.255 25.948 1.00 45.31 O ANISOU 582 O GLN C 598 8702 4522 3989 1111 1418 -952 O ATOM 583 CB GLN C 598 -67.536 45.363 28.279 1.00 49.37 C ANISOU 583 CB GLN C 598 9704 5300 3753 785 1284 -1000 C ATOM 584 CG GLN C 598 -68.325 44.504 29.276 1.00 51.20 C ANISOU 584 CG GLN C 598 10113 5616 3722 773 1505 -966 C ATOM 585 CD GLN C 598 -68.469 45.159 30.635 1.00 54.76 C ANISOU 585 CD GLN C 598 11187 5883 3736 612 1785 -1203 C ATOM 586 OE1 GLN C 598 -68.845 46.322 30.719 1.00 57.34 O ANISOU 586 OE1 GLN C 598 11720 5955 4111 694 2140 -1391 O ATOM 587 NE2 GLN C 598 -68.176 44.408 31.711 1.00 56.00 N ANISOU 587 NE2 GLN C 598 11681 6146 3448 372 1637 -1191 N ATOM 588 N GLN C 599 -66.430 45.683 24.946 1.00 42.83 N ANISOU 588 N GLN C 599 7905 4602 3764 955 778 -732 N ATOM 589 CA GLN C 599 -65.866 46.621 23.972 1.00 43.75 C ANISOU 589 CA GLN C 599 7913 4614 4093 941 693 -742 C ATOM 590 C GLN C 599 -66.992 47.177 23.135 1.00 43.53 C ANISOU 590 C GLN C 599 7694 4491 4354 1200 978 -635 C ATOM 591 O GLN C 599 -67.867 46.433 22.679 1.00 43.19 O ANISOU 591 O GLN C 599 7359 4600 4450 1354 1052 -472 O ATOM 592 CB GLN C 599 -64.823 45.940 23.053 1.00 44.05 C ANISOU 592 CB GLN C 599 7626 4848 4260 836 336 -637 C ATOM 593 CG GLN C 599 -63.517 45.570 23.739 1.00 46.91 C ANISOU 593 CG GLN C 599 8094 5288 4440 590 0 -700 C ATOM 594 CD GLN C 599 -62.797 46.768 24.304 1.00 53.25 C ANISOU 594 CD GLN C 599 9225 5906 5099 374 -60 -873 C ATOM 595 OE1 GLN C 599 -62.586 47.748 23.605 1.00 60.08 O ANISOU 595 OE1 GLN C 599 10072 6633 6123 354 0 -909 O ATOM 596 NE2 GLN C 599 -62.428 46.707 25.592 1.00 56.77 N ANISOU 596 NE2 GLN C 599 10014 6338 5215 178 -189 -977 N ATOM 597 N LYS C 600 -66.978 48.486 22.943 1.00 45.29 N ANISOU 597 N LYS C 600 8080 4450 4675 1234 1120 -708 N ATOM 598 CA LYS C 600 -67.992 49.162 22.170 1.00 45.49 C ANISOU 598 CA LYS C 600 7932 4343 5010 1497 1361 -568 C ATOM 599 C LYS C 600 -67.537 49.510 20.728 1.00 44.51 C ANISOU 599 C LYS C 600 7558 4247 5104 1473 1151 -407 C ATOM 600 O LYS C 600 -68.323 50.069 19.952 1.00 46.23 O ANISOU 600 O LYS C 600 7613 4370 5581 1673 1275 -231 O ATOM 601 CB LYS C 600 -68.382 50.427 22.894 1.00 49.83 C ANISOU 601 CB LYS C 600 8857 4516 5558 1590 1712 -733 C ATOM 602 CG LYS C 600 -68.702 50.197 24.370 1.00 53.16 C ANISOU 602 CG LYS C 600 9632 4882 5682 1550 1957 -939 C ATOM 603 N THR C 601 -66.284 49.246 20.385 1.00 40.55 N ANISOU 603 N THR C 601 7035 3863 4508 1228 852 -451 N ATOM 604 CA THR C 601 -65.790 49.572 19.044 1.00 40.23 C ANISOU 604 CA THR C 601 6802 3851 4630 1164 701 -317 C ATOM 605 C THR C 601 -64.801 48.498 18.541 1.00 37.48 C ANISOU 605 C THR C 601 6232 3787 4221 976 424 -302 C ATOM 606 O THR C 601 -64.201 47.759 19.334 1.00 36.63 O ANISOU 606 O THR C 601 6162 3792 3961 867 297 -411 O ATOM 607 CB THR C 601 -65.083 50.931 18.991 1.00 41.94 C ANISOU 607 CB THR C 601 7283 3777 4871 1032 720 -412 C ATOM 608 OG1 THR C 601 -63.927 50.897 19.811 1.00 41.36 O ANISOU 608 OG1 THR C 601 7408 3710 4594 761 560 -619 O ATOM 609 CG2 THR C 601 -65.993 52.083 19.459 1.00 45.85 C ANISOU 609 CG2 THR C 601 8042 3909 5467 1237 1040 -445 C ATOM 610 N ASN C 602 -64.648 48.446 17.229 1.00 34.80 N ANISOU 610 N ASN C 602 5677 3541 4003 945 348 -158 N ATOM 611 CA ASN C 602 -63.689 47.550 16.586 1.00 33.81 C ANISOU 611 CA ASN C 602 5349 3635 3861 782 168 -158 C ATOM 612 C ASN C 602 -62.266 48.095 16.709 1.00 33.94 C ANISOU 612 C ASN C 602 5440 3588 3866 547 55 -282 C ATOM 613 O ASN C 602 -62.049 49.320 16.710 1.00 34.53 O ANISOU 613 O ASN C 602 5705 3446 3967 470 106 -314 O ATOM 614 CB ASN C 602 -64.057 47.342 15.120 1.00 33.27 C ANISOU 614 CB ASN C 602 5084 3679 3874 790 166 20 C ATOM 615 CG ASN C 602 -65.410 46.691 14.951 1.00 34.17 C ANISOU 615 CG ASN C 602 5070 3902 4011 964 217 163 C ATOM 616 OD1 ASN C 602 -65.743 45.740 15.664 1.00 34.29 O ANISOU 616 OD1 ASN C 602 5039 4018 3969 1023 221 115 O ATOM 617 ND2 ASN C 602 -66.232 47.232 14.023 1.00 33.95 N ANISOU 617 ND2 ASN C 602 4977 3849 4072 1033 240 369 N ATOM 618 N CYS C 603 -61.288 47.195 16.825 1.00 33.76 N ANISOU 618 N CYS C 603 5254 3737 3833 429 -97 -339 N ATOM 619 CA CYS C 603 -59.885 47.636 16.950 1.00 35.17 C ANISOU 619 CA CYS C 603 5414 3897 4051 190 -231 -429 C ATOM 620 C CYS C 603 -59.347 48.313 15.693 1.00 34.53 C ANISOU 620 C CYS C 603 5246 3785 4087 50 -165 -372 C ATOM 621 O CYS C 603 -58.508 49.200 15.781 1.00 35.34 O ANISOU 621 O CYS C 603 5423 3779 4224 -157 -210 -431 O ATOM 622 CB CYS C 603 -58.990 46.495 17.380 1.00 36.49 C ANISOU 622 CB CYS C 603 5365 4251 4249 138 -412 -459 C ATOM 623 SG CYS C 603 -58.434 45.392 16.076 1.00 35.23 S ANISOU 623 SG CYS C 603 4830 4284 4269 153 -362 -391 S ATOM 624 N GLY C 604 -59.841 47.916 14.525 1.00 32.00 N ANISOU 624 N GLY C 604 4799 3558 3800 126 -62 -252 N ATOM 625 CA GLY C 604 -59.473 48.582 13.299 1.00 33.40 C ANISOU 625 CA GLY C 604 4959 3702 4027 -19 20 -172 C ATOM 626 C GLY C 604 -58.163 48.097 12.688 1.00 34.66 C ANISOU 626 C GLY C 604 4880 4010 4277 -212 26 -224 C ATOM 627 O GLY C 604 -57.838 48.474 11.556 1.00 38.18 O ANISOU 627 O GLY C 604 5307 4463 4734 -357 141 -158 O ATOM 628 N GLU C 605 -57.425 47.249 13.400 1.00 34.78 N ANISOU 628 N GLU C 605 4705 4140 4367 -211 -78 -320 N ATOM 629 CA GLU C 605 -56.074 46.826 12.965 1.00 36.30 C ANISOU 629 CA GLU C 605 4603 4455 4732 -365 -55 -365 C ATOM 630 C GLU C 605 -55.917 45.309 12.780 1.00 36.34 C ANISOU 630 C GLU C 605 4367 4618 4824 -223 -13 -384 C ATOM 631 O GLU C 605 -55.032 44.888 12.049 1.00 38.20 O ANISOU 631 O GLU C 605 4364 4934 5213 -302 123 -412 O ATOM 632 CB GLU C 605 -55.014 47.369 13.935 1.00 39.16 C ANISOU 632 CB GLU C 605 4896 4784 5198 -540 -247 -430 C ATOM 633 CG GLU C 605 -54.946 48.921 14.020 1.00 40.36 C ANISOU 633 CG GLU C 605 5308 4735 5290 -749 -254 -441 C ATOM 634 CD GLU C 605 -54.571 49.632 12.686 1.00 42.78 C ANISOU 634 CD GLU C 605 5600 5003 5651 -937 -48 -377 C ATOM 635 OE1 GLU C 605 -54.072 48.963 11.753 1.00 42.79 O ANISOU 635 OE1 GLU C 605 5349 5160 5747 -964 104 -357 O ATOM 636 OE2 GLU C 605 -54.754 50.882 12.573 1.00 41.54 O ANISOU 636 OE2 GLU C 605 5711 4635 5436 -1070 -15 -348 O ATOM 637 N CYS C 606 -56.794 44.503 13.365 1.00 33.56 N ANISOU 637 N CYS C 606 4087 4282 4380 -21 -83 -372 N ATOM 638 CA CYS C 606 -56.730 43.051 13.185 1.00 33.72 C ANISOU 638 CA CYS C 606 3933 4397 4482 110 -30 -388 C ATOM 639 C CYS C 606 -57.195 42.621 11.797 1.00 33.49 C ANISOU 639 C CYS C 606 3937 4407 4378 91 205 -384 C ATOM 640 O CYS C 606 -57.808 43.408 11.031 1.00 32.31 O ANISOU 640 O CYS C 606 3962 4236 4077 1 278 -324 O ATOM 641 CB CYS C 606 -57.506 42.320 14.278 1.00 32.37 C ANISOU 641 CB CYS C 606 3856 4217 4223 289 -177 -364 C ATOM 642 SG CYS C 606 -59.313 42.249 14.126 1.00 29.19 S ANISOU 642 SG CYS C 606 3702 3795 3591 408 -106 -299 S ATOM 643 N THR C 607 -56.929 41.368 11.470 1.00 33.26 N ANISOU 643 N THR C 607 3771 4421 4445 166 315 -437 N ATOM 644 CA THR C 607 -57.131 40.881 10.112 1.00 33.84 C ANISOU 644 CA THR C 607 3902 4526 4429 86 566 -479 C ATOM 645 C THR C 607 -58.627 40.907 9.794 1.00 31.05 C ANISOU 645 C THR C 607 3800 4189 3808 91 514 -396 C ATOM 646 O THR C 607 -59.018 41.294 8.679 1.00 31.55 O ANISOU 646 O THR C 607 4005 4286 3695 -61 615 -355 O ATOM 647 CB THR C 607 -56.532 39.461 9.905 1.00 37.14 C ANISOU 647 CB THR C 607 4154 4929 5028 181 734 -584 C ATOM 648 OG1 THR C 607 -56.976 38.628 10.952 1.00 40.62 O ANISOU 648 OG1 THR C 607 4588 5331 5513 371 556 -550 O ATOM 649 CG2 THR C 607 -55.012 39.490 9.925 1.00 40.25 C ANISOU 649 CG2 THR C 607 4225 5321 5745 169 841 -637 C ATOM 650 N TYR C 608 -59.456 40.620 10.792 1.00 28.52 N ANISOU 650 N TYR C 608 3526 3852 3455 243 343 -343 N ATOM 651 CA TYR C 608 -60.904 40.573 10.590 1.00 27.79 C ANISOU 651 CA TYR C 608 3590 3792 3174 262 290 -242 C ATOM 652 C TYR C 608 -61.481 41.987 10.427 1.00 27.87 C ANISOU 652 C TYR C 608 3710 3778 3100 224 226 -113 C ATOM 653 O TYR C 608 -62.376 42.183 9.624 1.00 29.01 O ANISOU 653 O TYR C 608 3942 3968 3110 161 219 4 O ATOM 654 CB TYR C 608 -61.593 39.805 11.694 1.00 27.63 C ANISOU 654 CB TYR C 608 3569 3761 3167 423 183 -223 C ATOM 655 CG TYR C 608 -60.958 38.403 11.983 1.00 28.78 C ANISOU 655 CG TYR C 608 3620 3875 3438 490 227 -318 C ATOM 656 CD1 TYR C 608 -60.301 37.670 10.972 1.00 32.51 C ANISOU 656 CD1 TYR C 608 4049 4335 3969 411 417 -424 C ATOM 657 CD2 TYR C 608 -61.006 37.839 13.287 1.00 29.11 C ANISOU 657 CD2 TYR C 608 3642 3875 3543 635 98 -294 C ATOM 658 CE1 TYR C 608 -59.705 36.415 11.233 1.00 31.52 C ANISOU 658 CE1 TYR C 608 3832 4123 4018 515 490 -502 C ATOM 659 CE2 TYR C 608 -60.426 36.595 13.559 1.00 30.06 C ANISOU 659 CE2 TYR C 608 3679 3931 3809 719 118 -335 C ATOM 660 CZ TYR C 608 -59.785 35.876 12.533 1.00 31.52 C ANISOU 660 CZ TYR C 608 3794 4073 4110 679 318 -438 C ATOM 661 OH TYR C 608 -59.192 34.610 12.768 1.00 30.18 O ANISOU 661 OH TYR C 608 3538 3783 4146 803 377 -474 O ATOM 662 N CYS C 609 -60.944 42.949 11.166 1.00 27.66 N ANISOU 662 N CYS C 609 3685 3664 3161 248 169 -126 N ATOM 663 CA CYS C 609 -61.337 44.373 10.995 1.00 29.18 C ANISOU 663 CA CYS C 609 4010 3762 3314 217 147 -17 C ATOM 664 C CYS C 609 -60.981 44.849 9.606 1.00 30.69 C ANISOU 664 C CYS C 609 4245 3975 3438 20 243 42 C ATOM 665 O CYS C 609 -61.840 45.398 8.893 1.00 31.21 O ANISOU 665 O CYS C 609 4425 4034 3399 -5 216 213 O ATOM 666 CB CYS C 609 -60.699 45.275 12.055 1.00 30.04 C ANISOU 666 CB CYS C 609 4164 3737 3509 225 86 -85 C ATOM 667 SG CYS C 609 -61.562 45.223 13.634 1.00 29.21 S ANISOU 667 SG CYS C 609 4162 3559 3374 429 3 -105 S ATOM 668 N LYS C 610 -59.742 44.586 9.200 1.00 30.04 N ANISOU 668 N LYS C 610 4063 3930 3419 -120 358 -75 N ATOM 669 CA ALYS C 610 -59.242 45.045 7.896 0.60 33.15 C ANISOU 669 CA ALYS C 610 4520 4345 3727 -349 508 -39 C ATOM 670 CA BLYS C 610 -59.235 45.031 7.899 0.40 32.79 C ANISOU 670 CA BLYS C 610 4473 4301 3683 -348 509 -41 C ATOM 671 C LYS C 610 -59.953 44.349 6.723 1.00 33.20 C ANISOU 671 C LYS C 610 4638 4463 3511 -441 574 16 C ATOM 672 O LYS C 610 -59.973 44.879 5.624 1.00 35.21 O ANISOU 672 O LYS C 610 5043 4736 3597 -640 641 116 O ATOM 673 CB ALYS C 610 -57.706 44.864 7.774 0.60 34.93 C ANISOU 673 CB ALYS C 610 4560 4593 4117 -475 674 -190 C ATOM 674 CB BLYS C 610 -57.712 44.809 7.797 0.40 34.17 C ANISOU 674 CB BLYS C 610 4458 4499 4024 -467 673 -195 C ATOM 675 CG ALYS C 610 -56.864 45.895 8.529 0.60 36.91 C ANISOU 675 CG ALYS C 610 4738 4746 4538 -535 598 -206 C ATOM 676 CG BLYS C 610 -56.894 45.714 8.709 0.40 35.35 C ANISOU 676 CG BLYS C 610 4516 4556 4357 -496 577 -221 C ATOM 677 CD ALYS C 610 -56.891 47.288 7.877 0.60 38.45 C ANISOU 677 CD ALYS C 610 5132 4834 4642 -726 634 -81 C ATOM 678 CD BLYS C 610 -55.406 45.617 8.422 0.40 37.34 C ANISOU 678 CD BLYS C 610 4521 4858 4806 -656 739 -322 C ATOM 679 CE ALYS C 610 -56.044 48.285 8.652 0.60 39.71 C ANISOU 679 CE ALYS C 610 5252 4871 4964 -833 558 -119 C ATOM 680 CE BLYS C 610 -54.592 46.522 9.333 0.40 38.53 C ANISOU 680 CE BLYS C 610 4572 4935 5130 -748 590 -335 C ATOM 681 NZ ALYS C 610 -56.459 49.694 8.425 0.60 40.73 N ANISOU 681 NZ ALYS C 610 5658 4804 5013 -931 530 17 N ATOM 682 N ASN C 611 -60.548 43.171 6.967 1.00 31.63 N ANISOU 682 N ASN C 611 4399 4333 3285 -332 539 -37 N ATOM 683 CA ASN C 611 -61.331 42.468 5.962 1.00 32.18 C ANISOU 683 CA ASN C 611 4602 4504 3120 -458 555 6 C ATOM 684 C ASN C 611 -62.829 42.396 6.293 1.00 31.48 C ANISOU 684 C ASN C 611 4535 4457 2968 -347 329 180 C ATOM 685 O ASN C 611 -63.524 41.463 5.868 1.00 30.07 O ANISOU 685 O ASN C 611 4403 4370 2651 -422 296 182 O ATOM 686 CB ASN C 611 -60.774 41.063 5.823 1.00 33.89 C ANISOU 686 CB ASN C 611 4766 4741 3367 -474 741 -210 C ATOM 687 CG ASN C 611 -61.205 40.384 4.521 1.00 35.91 C ANISOU 687 CG ASN C 611 5239 5077 3326 -718 844 -237 C ATOM 688 OD1 ASN C 611 -61.449 41.053 3.505 1.00 36.08 O ANISOU 688 OD1 ASN C 611 5444 5158 3104 -941 830 -113 O ATOM 689 ND2 ASN C 611 -61.294 39.067 4.550 1.00 37.03 N ANISOU 689 ND2 ASN C 611 5396 5204 3468 -701 938 -391 N ATOM 690 N ARG C 612 -63.343 43.396 7.010 1.00 32.80 N ANISOU 690 N ARG C 612 4669 4546 3247 -186 195 325 N ATOM 691 CA ARG C 612 -64.736 43.373 7.499 1.00 33.16 C ANISOU 691 CA ARG C 612 4662 4618 3317 -28 33 490 C ATOM 692 C ARG C 612 -65.769 43.015 6.416 1.00 34.68 C ANISOU 692 C ARG C 612 4903 4958 3315 -190 -92 674 C ATOM 693 O ARG C 612 -66.675 42.262 6.673 1.00 35.27 O ANISOU 693 O ARG C 612 4893 5119 3389 -148 -179 716 O ATOM 694 CB ARG C 612 -65.135 44.715 8.140 1.00 35.14 C ANISOU 694 CB ARG C 612 4914 4723 3714 149 -25 636 C ATOM 695 CG ARG C 612 -66.558 44.661 8.772 1.00 38.74 C ANISOU 695 CG ARG C 612 5260 5195 4264 356 -119 792 C ATOM 696 CD ARG C 612 -66.894 45.788 9.754 1.00 38.71 C ANISOU 696 CD ARG C 612 5265 4993 4448 596 -78 847 C ATOM 697 NE ARG C 612 -65.891 45.854 10.791 1.00 36.72 N ANISOU 697 NE ARG C 612 5084 4628 4237 632 19 603 N ATOM 698 CZ ARG C 612 -64.831 46.667 10.808 1.00 36.94 C ANISOU 698 CZ ARG C 612 5229 4523 4284 543 61 513 C ATOM 699 NH1 ARG C 612 -64.616 47.583 9.849 1.00 36.77 N ANISOU 699 NH1 ARG C 612 5297 4427 4244 426 54 645 N ATOM 700 NH2 ARG C 612 -63.962 46.550 11.817 1.00 36.26 N ANISOU 700 NH2 ARG C 612 5171 4380 4227 544 91 304 N ATOM 701 N LYS C 613 -65.639 43.555 5.216 1.00 36.16 N ANISOU 701 N LYS C 613 5235 5182 3320 -407 -120 798 N ATOM 702 CA LYS C 613 -66.697 43.331 4.227 1.00 39.14 C ANISOU 702 CA LYS C 613 5670 5714 3485 -591 -318 1024 C ATOM 703 C LYS C 613 -66.847 41.835 3.825 1.00 39.25 C ANISOU 703 C LYS C 613 5742 5861 3308 -790 -289 856 C ATOM 704 O LYS C 613 -67.933 41.418 3.404 1.00 42.22 O ANISOU 704 O LYS C 613 6101 6377 3562 -915 -498 1022 O ATOM 705 CB LYS C 613 -66.493 44.231 2.997 1.00 42.68 C ANISOU 705 CB LYS C 613 6321 6173 3720 -824 -376 1218 C ATOM 706 CG LYS C 613 -65.262 43.925 2.158 1.00 44.82 C ANISOU 706 CG LYS C 613 6810 6455 3764 -1102 -131 996 C ATOM 707 N ASN C 614 -65.768 41.045 3.959 1.00 35.52 N ANISOU 707 N ASN C 614 5327 5330 2839 -822 -33 541 N ATOM 708 CA ASN C 614 -65.760 39.616 3.596 1.00 35.01 C ANISOU 708 CA ASN C 614 5366 5312 2624 -993 64 339 C ATOM 709 C ASN C 614 -65.744 38.650 4.802 1.00 33.53 C ANISOU 709 C ASN C 614 5021 5046 2672 -764 129 177 C ATOM 710 O ASN C 614 -66.143 37.502 4.673 1.00 32.94 O ANISOU 710 O ASN C 614 5013 4990 2510 -875 141 84 O ATOM 711 CB ASN C 614 -64.557 39.370 2.692 1.00 37.01 C ANISOU 711 CB ASN C 614 5824 5522 2714 -1204 359 115 C ATOM 712 CG ASN C 614 -64.627 40.223 1.428 1.00 40.51 C ANISOU 712 CG ASN C 614 6492 6053 2847 -1495 299 289 C ATOM 713 OD1 ASN C 614 -65.633 40.203 0.740 1.00 41.20 O ANISOU 713 OD1 ASN C 614 6702 6272 2680 -1706 53 488 O ATOM 714 ND2 ASN C 614 -63.576 40.993 1.147 1.00 41.00 N ANISOU 714 ND2 ASN C 614 6598 6047 2932 -1523 499 244 N ATOM 715 N SER C 615 -65.337 39.122 5.969 1.00 31.89 N ANISOU 715 N SER C 615 4639 4742 2733 -476 152 161 N ATOM 716 CA SER C 615 -65.057 38.218 7.101 1.00 30.32 C ANISOU 716 CA SER C 615 4335 4457 2728 -282 223 10 C ATOM 717 C SER C 615 -66.330 37.881 7.812 1.00 29.41 C ANISOU 717 C SER C 615 4130 4393 2649 -192 63 145 C ATOM 718 O SER C 615 -67.206 38.766 8.001 1.00 29.23 O ANISOU 718 O SER C 615 4018 4429 2657 -118 -81 358 O ATOM 719 CB SER C 615 -64.072 38.876 8.074 1.00 30.24 C ANISOU 719 CB SER C 615 4206 4342 2941 -67 276 -50 C ATOM 720 OG SER C 615 -63.920 38.117 9.270 1.00 28.74 O ANISOU 720 OG SER C 615 3926 4082 2910 117 272 -129 O ATOM 721 N HIS C 616 -66.456 36.626 8.249 1.00 27.22 N ANISOU 721 N HIS C 616 3862 4075 2402 -184 110 36 N ATOM 722 CA HIS C 616 -67.578 36.212 9.086 1.00 26.07 C ANISOU 722 CA HIS C 616 3618 3969 2315 -104 3 151 C ATOM 723 C HIS C 616 -67.178 36.206 10.584 1.00 25.43 C ANISOU 723 C HIS C 616 3458 3781 2421 165 48 107 C ATOM 724 O HIS C 616 -67.871 35.593 11.398 1.00 26.70 O ANISOU 724 O HIS C 616 3581 3939 2621 223 27 154 O ATOM 725 CB HIS C 616 -68.090 34.807 8.692 1.00 27.05 C ANISOU 725 CB HIS C 616 3843 4100 2334 -310 13 85 C ATOM 726 CG HIS C 616 -68.521 34.655 7.249 1.00 26.92 C ANISOU 726 CG HIS C 616 3968 4194 2064 -650 -55 109 C ATOM 727 ND1 HIS C 616 -69.238 33.561 6.813 1.00 28.22 N ANISOU 727 ND1 HIS C 616 4243 4388 2089 -911 -102 81 N ATOM 728 CD2 HIS C 616 -68.328 35.433 6.155 1.00 29.03 C ANISOU 728 CD2 HIS C 616 4326 4543 2158 -810 -96 161 C ATOM 729 CE1 HIS C 616 -69.475 33.676 5.515 1.00 30.32 C ANISOU 729 CE1 HIS C 616 4669 4764 2084 -1232 -189 108 C ATOM 730 NE2 HIS C 616 -68.929 34.807 5.091 1.00 30.06 N ANISOU 730 NE2 HIS C 616 4632 4769 2020 -1171 -185 167 N ATOM 731 N GLN C 617 -66.073 36.877 10.953 1.00 27.30 N ANISOU 731 N GLN C 617 3684 3938 2749 290 97 29 N ATOM 732 CA GLN C 617 -65.514 36.798 12.295 1.00 27.89 C ANISOU 732 CA GLN C 617 3727 3919 2950 482 96 -20 C ATOM 733 C GLN C 617 -65.518 38.127 13.013 1.00 28.78 C ANISOU 733 C GLN C 617 3821 4016 3098 604 50 40 C ATOM 734 O GLN C 617 -65.225 39.185 12.419 1.00 29.04 O ANISOU 734 O GLN C 617 3858 4049 3126 564 51 62 O ATOM 735 CB GLN C 617 -64.099 36.243 12.211 1.00 30.21 C ANISOU 735 CB GLN C 617 4009 4118 3349 497 173 -173 C ATOM 736 CG GLN C 617 -64.100 34.790 11.745 1.00 31.65 C ANISOU 736 CG GLN C 617 4253 4238 3534 423 269 -258 C ATOM 737 CD GLN C 617 -62.727 34.201 11.709 1.00 36.97 C ANISOU 737 CD GLN C 617 4871 4785 4390 497 384 -391 C ATOM 738 OE1 GLN C 617 -62.027 34.309 10.722 1.00 45.00 O ANISOU 738 OE1 GLN C 617 5883 5791 5422 409 537 -497 O ATOM 739 NE2 GLN C 617 -62.354 33.550 12.763 1.00 37.03 N ANISOU 739 NE2 GLN C 617 4831 4692 4543 657 322 -368 N ATOM 740 N ILE C 618 -65.838 38.094 14.295 1.00 28.04 N ANISOU 740 N ILE C 618 3748 3884 3020 733 29 62 N ATOM 741 CA ILE C 618 -65.788 39.316 15.088 1.00 27.90 C ANISOU 741 CA ILE C 618 3782 3807 3010 832 23 72 C ATOM 742 C ILE C 618 -64.345 39.824 15.266 1.00 25.68 C ANISOU 742 C ILE C 618 3523 3456 2777 807 -27 -37 C ATOM 743 O ILE C 618 -63.387 39.020 15.216 1.00 25.33 O ANISOU 743 O ILE C 618 3417 3408 2796 778 -61 -108 O ATOM 744 CB ILE C 618 -66.530 39.103 16.445 1.00 29.38 C ANISOU 744 CB ILE C 618 4041 3972 3149 940 57 103 C ATOM 745 CG1 ILE C 618 -66.899 40.461 17.052 1.00 30.28 C ANISOU 745 CG1 ILE C 618 4243 4004 3255 1035 131 113 C ATOM 746 CG2 ILE C 618 -65.733 38.205 17.357 1.00 29.88 C ANISOU 746 CG2 ILE C 618 4174 3994 3183 945 -16 36 C ATOM 747 CD1 ILE C 618 -67.679 40.391 18.352 1.00 34.89 C ANISOU 747 CD1 ILE C 618 4937 4555 3764 1128 244 121 C ATOM 748 N CYS C 619 -64.192 41.147 15.440 1.00 25.22 N ANISOU 748 N CYS C 619 3533 3328 2720 814 -24 -41 N ATOM 749 CA CYS C 619 -62.912 41.774 15.788 1.00 26.97 C ANISOU 749 CA CYS C 619 3782 3482 2982 750 -95 -136 C ATOM 750 C CYS C 619 -62.177 40.930 16.844 1.00 28.96 C ANISOU 750 C CYS C 619 4023 3742 3238 766 -219 -190 C ATOM 751 O CYS C 619 -62.787 40.494 17.825 1.00 27.47 O ANISOU 751 O CYS C 619 3941 3546 2950 838 -237 -166 O ATOM 752 CB CYS C 619 -63.132 43.172 16.363 1.00 28.97 C ANISOU 752 CB CYS C 619 4204 3607 3195 765 -72 -149 C ATOM 753 SG CYS C 619 -61.637 43.897 17.049 1.00 31.09 S ANISOU 753 SG CYS C 619 4541 3793 3475 618 -207 -273 S ATOM 754 N LYS C 620 -60.889 40.702 16.658 1.00 28.07 N ANISOU 754 N LYS C 620 3770 3643 3249 697 -301 -237 N ATOM 755 CA LYS C 620 -60.150 39.804 17.588 1.00 29.03 C ANISOU 755 CA LYS C 620 3830 3774 3425 731 -466 -228 C ATOM 756 C LYS C 620 -60.130 40.368 18.996 1.00 30.17 C ANISOU 756 C LYS C 620 4174 3879 3410 697 -626 -232 C ATOM 757 O LYS C 620 -60.042 39.625 19.982 1.00 30.67 O ANISOU 757 O LYS C 620 4296 3950 3406 730 -769 -180 O ATOM 758 CB LYS C 620 -58.722 39.582 17.113 1.00 30.35 C ANISOU 758 CB LYS C 620 3741 3964 3827 680 -519 -253 C ATOM 759 CG LYS C 620 -58.591 38.710 15.863 1.00 30.44 C ANISOU 759 CG LYS C 620 3591 3988 3985 716 -321 -279 C ATOM 760 CD LYS C 620 -57.129 38.449 15.524 1.00 31.77 C ANISOU 760 CD LYS C 620 3468 4163 4438 701 -317 -305 C ATOM 761 CE LYS C 620 -56.966 37.878 14.116 1.00 33.24 C ANISOU 761 CE LYS C 620 3558 4339 4731 692 -24 -384 C ATOM 762 NZ LYS C 620 -55.626 37.331 13.828 1.00 36.09 N ANISOU 762 NZ LYS C 620 3604 4679 5429 740 62 -412 N ATOM 763 N LYS C 621 -60.220 41.688 19.115 1.00 31.95 N ANISOU 763 N LYS C 621 4549 4041 3549 612 -597 -294 N ATOM 764 CA LYS C 621 -60.240 42.305 20.443 1.00 35.67 C ANISOU 764 CA LYS C 621 5292 4444 3816 538 -707 -342 C ATOM 765 C LYS C 621 -61.621 42.280 21.121 1.00 35.47 C ANISOU 765 C LYS C 621 5517 4368 3589 646 -539 -339 C ATOM 766 O LYS C 621 -61.722 42.610 22.318 1.00 36.47 O ANISOU 766 O LYS C 621 5927 4435 3493 582 -582 -394 O ATOM 767 CB LYS C 621 -59.613 43.704 20.376 1.00 39.42 C ANISOU 767 CB LYS C 621 5858 4826 4293 369 -739 -434 C ATOM 768 CG LYS C 621 -58.103 43.589 20.085 1.00 44.79 C ANISOU 768 CG LYS C 621 6262 5586 5167 221 -949 -421 C ATOM 769 CD LYS C 621 -57.319 44.893 20.231 1.00 49.56 C ANISOU 769 CD LYS C 621 6958 6108 5763 -20 -1042 -506 C ATOM 770 CE LYS C 621 -55.806 44.638 20.360 1.00 52.85 C ANISOU 770 CE LYS C 621 7071 6641 6367 -191 -1322 -464 C ATOM 771 N ARG C 622 -62.665 41.863 20.390 1.00 32.05 N ANISOU 771 N ARG C 622 4985 3968 3224 783 -345 -274 N ATOM 772 CA ARG C 622 -64.032 41.727 20.936 1.00 32.49 C ANISOU 772 CA ARG C 622 5181 4003 3158 894 -155 -242 C ATOM 773 C ARG C 622 -64.529 40.298 21.124 1.00 30.35 C ANISOU 773 C ARG C 622 4837 3827 2868 949 -157 -147 C ATOM 774 O ARG C 622 -65.606 40.095 21.693 1.00 31.18 O ANISOU 774 O ARG C 622 5043 3930 2871 1009 4 -111 O ATOM 775 CB ARG C 622 -65.024 42.483 20.023 1.00 32.34 C ANISOU 775 CB ARG C 622 5086 3946 3255 993 55 -198 C ATOM 776 CG ARG C 622 -64.621 43.932 19.790 1.00 34.97 C ANISOU 776 CG ARG C 622 5526 4134 3626 949 85 -269 C ATOM 777 CD ARG C 622 -65.579 44.632 18.868 1.00 34.39 C ANISOU 777 CD ARG C 622 5363 4008 3695 1068 252 -167 C ATOM 778 NE ARG C 622 -66.784 45.026 19.556 1.00 36.79 N ANISOU 778 NE ARG C 622 5776 4216 3987 1228 483 -150 N ATOM 779 CZ ARG C 622 -67.726 45.836 19.043 1.00 37.96 C ANISOU 779 CZ ARG C 622 5858 4266 4299 1382 652 -41 C ATOM 780 NH1 ARG C 622 -67.625 46.335 17.792 1.00 36.70 N ANISOU 780 NH1 ARG C 622 5559 4102 4283 1370 574 80 N ATOM 781 NH2 ARG C 622 -68.788 46.150 19.797 1.00 38.92 N ANISOU 781 NH2 ARG C 622 6053 4286 4449 1553 913 -37 N ATOM 782 N LYS C 623 -63.784 39.302 20.604 1.00 29.69 N ANISOU 782 N LYS C 623 4569 3803 2906 928 -301 -106 N ATOM 783 CA LYS C 623 -64.132 37.910 20.765 1.00 27.67 C ANISOU 783 CA LYS C 623 4277 3582 2652 965 -309 -20 C ATOM 784 C LYS C 623 -64.272 37.570 22.268 1.00 28.39 C ANISOU 784 C LYS C 623 4613 3648 2523 945 -375 19 C ATOM 785 O LYS C 623 -63.365 37.798 23.040 1.00 31.09 O ANISOU 785 O LYS C 623 5067 3969 2776 878 -576 5 O ATOM 786 CB LYS C 623 -63.045 37.040 20.103 1.00 28.69 C ANISOU 786 CB LYS C 623 4209 3714 2977 963 -439 -8 C ATOM 787 CG LYS C 623 -63.244 35.535 20.206 1.00 29.68 C ANISOU 787 CG LYS C 623 4318 3810 3147 1006 -446 75 C ATOM 788 CD LYS C 623 -64.409 35.086 19.358 1.00 29.42 C ANISOU 788 CD LYS C 623 4248 3807 3122 992 -255 85 C ATOM 789 CE LYS C 623 -64.675 33.592 19.486 1.00 30.77 C ANISOU 789 CE LYS C 623 4453 3912 3326 995 -244 156 C ATOM 790 NZ LYS C 623 -65.598 33.117 18.413 1.00 29.83 N ANISOU 790 NZ LYS C 623 4276 3823 3233 916 -96 143 N ATOM 791 N CYS C 624 -65.405 37.012 22.636 1.00 28.77 N ANISOU 791 N CYS C 624 4743 3710 2476 973 -214 83 N ATOM 792 CA CYS C 624 -65.745 36.740 24.042 1.00 32.10 C ANISOU 792 CA CYS C 624 5448 4111 2637 930 -201 125 C ATOM 793 C CYS C 624 -64.747 35.774 24.622 1.00 34.75 C ANISOU 793 C CYS C 624 5837 4425 2939 886 -489 224 C ATOM 794 O CYS C 624 -64.446 34.773 23.990 1.00 30.81 O ANISOU 794 O CYS C 624 5153 3910 2642 936 -561 298 O ATOM 795 CB CYS C 624 -67.141 36.150 24.118 1.00 33.34 C ANISOU 795 CB CYS C 624 5602 4299 2764 955 52 200 C ATOM 796 SG CYS C 624 -67.666 35.456 25.681 1.00 36.12 S ANISOU 796 SG CYS C 624 6290 4634 2799 872 127 288 S ATOM 797 N GLU C 625 -64.238 36.061 25.828 1.00 37.34 N ANISOU 797 N GLU C 625 6435 4739 3012 787 -658 234 N ATOM 798 CA GLU C 625 -63.234 35.160 26.470 1.00 41.88 C ANISOU 798 CA GLU C 625 7047 5299 3565 747 -1007 392 C ATOM 799 C GLU C 625 -63.802 33.784 26.742 1.00 41.11 C ANISOU 799 C GLU C 625 7007 5159 3451 784 -962 561 C ATOM 800 O GLU C 625 -63.083 32.813 26.662 1.00 41.65 O ANISOU 800 O GLU C 625 6958 5171 3694 840 -1180 706 O ATOM 801 CB GLU C 625 -62.667 35.718 27.801 1.00 46.72 C ANISOU 801 CB GLU C 625 7996 5926 3830 571 -1248 402 C ATOM 802 CG GLU C 625 -62.033 37.101 27.719 1.00 51.61 C ANISOU 802 CG GLU C 625 8633 6556 4420 469 -1325 231 C ATOM 803 CD GLU C 625 -60.654 37.156 27.041 1.00 54.84 C ANISOU 803 CD GLU C 625 8684 6999 5154 478 -1630 266 C ATOM 804 OE1 GLU C 625 -60.222 36.166 26.421 1.00 56.93 O ANISOU 804 OE1 GLU C 625 8637 7262 5729 615 -1713 393 O ATOM 805 OE2 GLU C 625 -59.992 38.225 27.136 1.00 57.57 O ANISOU 805 OE2 GLU C 625 9065 7355 5454 334 -1757 155 O ATOM 806 N GLU C 626 -65.102 33.697 27.016 1.00 41.23 N ANISOU 806 N GLU C 626 7179 5185 3301 758 -657 548 N ATOM 807 CA GLU C 626 -65.762 32.381 27.230 1.00 42.50 C ANISOU 807 CA GLU C 626 7400 5296 3450 752 -576 709 C ATOM 808 C GLU C 626 -65.971 31.585 25.949 1.00 38.91 C ANISOU 808 C GLU C 626 6642 4800 3340 841 -491 716 C ATOM 809 O GLU C 626 -66.001 30.361 25.990 1.00 40.95 O ANISOU 809 O GLU C 626 6927 4958 3673 842 -535 854 O ATOM 810 CB GLU C 626 -67.099 32.531 27.982 1.00 44.58 C ANISOU 810 CB GLU C 626 7905 5597 3434 663 -245 703 C ATOM 811 CG GLU C 626 -67.023 33.369 29.245 1.00 47.23 C ANISOU 811 CG GLU C 626 8623 5953 3368 544 -235 646 C ATOM 812 CD GLU C 626 -66.017 32.818 30.243 1.00 51.72 C ANISOU 812 CD GLU C 626 9459 6487 3704 433 -629 813 C ATOM 813 OE1 GLU C 626 -65.930 31.575 30.364 1.00 51.80 O ANISOU 813 OE1 GLU C 626 9470 6434 3774 439 -761 1026 O ATOM 814 OE2 GLU C 626 -65.306 33.624 30.887 1.00 55.09 O ANISOU 814 OE2 GLU C 626 10095 6936 3899 326 -828 747 O ATOM 815 N LEU C 627 -66.111 32.257 24.807 1.00 37.68 N ANISOU 815 N LEU C 627 6239 4700 3376 893 -372 570 N ATOM 816 CA LEU C 627 -66.243 31.553 23.508 1.00 34.48 C ANISOU 816 CA LEU C 627 5596 4261 3243 927 -304 550 C ATOM 817 C LEU C 627 -64.900 31.024 22.969 1.00 36.46 C ANISOU 817 C LEU C 627 5704 4410 3739 1013 -503 552 C ATOM 818 O LEU C 627 -64.896 30.218 22.046 1.00 36.94 O ANISOU 818 O LEU C 627 5650 4387 3995 1030 -428 530 O ATOM 819 CB LEU C 627 -66.889 32.447 22.465 1.00 31.49 C ANISOU 819 CB LEU C 627 5031 3987 2945 925 -129 428 C ATOM 820 CG LEU C 627 -68.334 32.860 22.820 1.00 31.33 C ANISOU 820 CG LEU C 627 5049 4056 2797 880 111 453 C ATOM 821 CD1 LEU C 627 -68.935 33.713 21.729 1.00 30.31 C ANISOU 821 CD1 LEU C 627 4696 4022 2798 900 226 393 C ATOM 822 CD2 LEU C 627 -69.234 31.643 23.161 1.00 32.76 C ANISOU 822 CD2 LEU C 627 5295 4215 2936 784 218 578 C ATOM 823 N LYS C 628 -63.782 31.518 23.488 1.00 36.59 N ANISOU 823 N LYS C 628 5714 4432 3756 1052 -732 568 N ATOM 824 CA LYS C 628 -62.469 31.014 23.089 1.00 39.00 C ANISOU 824 CA LYS C 628 5820 4645 4349 1157 -911 604 C ATOM 825 C LYS C 628 -62.229 29.664 23.715 1.00 43.59 C ANISOU 825 C LYS C 628 6497 5066 4999 1219 -1042 804 C ATOM 826 O LYS C 628 -61.502 28.849 23.156 1.00 45.37 O ANISOU 826 O LYS C 628 6553 5146 5540 1344 -1065 839 O ATOM 827 CB LYS C 628 -61.360 31.977 23.525 1.00 39.95 C ANISOU 827 CB LYS C 628 5864 4844 4469 1144 -1157 594 C ATOM 828 CG LYS C 628 -61.357 33.264 22.728 1.00 38.12 C ANISOU 828 CG LYS C 628 5514 4715 4252 1096 -1030 404 C ATOM 829 CD LYS C 628 -60.382 34.244 23.299 1.00 40.25 C ANISOU 829 CD LYS C 628 5767 5049 4475 1022 -1273 392 C ATOM 830 CE LYS C 628 -60.584 35.608 22.667 1.00 37.82 C ANISOU 830 CE LYS C 628 5436 4806 4127 949 -1120 215 C ATOM 831 NZ LYS C 628 -59.783 36.598 23.401 1.00 39.66 N ANISOU 831 NZ LYS C 628 5742 5077 4249 818 -1352 191 N ATOM 832 N LYS C 629 -62.827 29.443 24.891 1.00 46.58 N ANISOU 832 N LYS C 629 7165 5451 5082 1133 -1103 942 N ATOM 833 CA LYS C 629 -62.766 28.147 25.587 1.00 50.30 C ANISOU 833 CA LYS C 629 7796 5751 5563 1163 -1225 1177 C ATOM 834 C LYS C 629 -63.770 27.173 24.946 1.00 49.78 C ANISOU 834 C LYS C 629 7775 5561 5575 1135 -940 1152 C ATOM 835 O LYS C 629 -64.868 27.583 24.506 1.00 47.15 O ANISOU 835 O LYS C 629 7452 5342 5121 1024 -686 1016 O ATOM 836 CB LYS C 629 -63.087 28.324 27.072 1.00 53.12 C ANISOU 836 CB LYS C 629 8502 6173 5509 1026 -1369 1332 C ATOM 837 CG LYS C 629 -62.158 29.285 27.814 1.00 56.44 C ANISOU 837 CG LYS C 629 8956 6717 5772 975 -1684 1353 C ATOM 838 CD LYS C 629 -62.648 29.553 29.247 1.00 59.62 C ANISOU 838 CD LYS C 629 9799 7189 5663 777 -1755 1450 C ATOM 839 CE LYS C 629 -61.816 30.632 29.939 1.00 61.97 C ANISOU 839 CE LYS C 629 10190 7613 5741 654 -2055 1417 C ATOM 840 NZ LYS C 629 -62.570 31.379 30.986 1.00 62.80 N ANISOU 840 NZ LYS C 629 10748 7805 5309 432 -1921 1333 N ATOM 841 N LYS C 630 -63.394 25.897 24.905 1.00 49.65 N ANISOU 841 N LYS C 630 7784 5302 5779 1226 -997 1298 N ATOM 842 CA LYS C 630 -64.207 24.820 24.298 1.00 50.49 C ANISOU 842 CA LYS C 630 7972 5230 5980 1168 -753 1276 C ATOM 843 C LYS C 630 -65.554 24.641 25.008 1.00 49.35 C ANISOU 843 C LYS C 630 8089 5152 5509 958 -615 1356 C ATOM 844 O LYS C 630 -65.675 24.942 26.204 1.00 50.19 O ANISOU 844 O LYS C 630 8396 5346 5328 896 -730 1500 O ATOM 845 CB LYS C 630 -63.428 23.495 24.357 1.00 53.67 C ANISOU 845 CB LYS C 630 8408 5295 6686 1328 -856 1451 C TER 846 LYS C 630 HETATM 847 UNK UNX A 101 -77.889 32.186 6.701 1.00 42.93 X HETATM 848 UNK UNX A 102 -65.556 33.671 2.888 1.00 36.21 X HETATM 849 UNK UNX A 103 -60.481 37.820 7.123 1.00 39.89 X HETATM 850 UNK UNX B 101 -60.245 25.056 5.470 1.00 43.59 X HETATM 851 UNK UNX B 102 -68.763 40.136 12.998 1.00 32.94 X HETATM 852 UNK UNX B 103 -63.750 23.190 5.481 1.00 38.26 X HETATM 853 UNK UNX B 104 -72.393 40.918 8.590 0.50 24.21 X HETATM 854 UNK UNX B 105 -71.528 37.012 19.831 1.00 30.31 X HETATM 855 UNK UNX B 106 -74.050 33.056 19.320 1.00 32.78 X HETATM 856 ZN ZN C 701 -67.955 37.400 26.844 1.00 35.92 ZN HETATM 857 ZN ZN C 702 -60.190 44.178 15.203 1.00 28.83 ZN HETATM 858 UNK UNX C 703 -63.527 33.344 15.658 1.00 39.32 X HETATM 859 UNK UNX C 704 -68.314 40.894 7.865 1.00 22.32 X HETATM 860 UNK UNX C 705 -67.862 43.352 22.074 1.00 31.75 X HETATM 861 UNK UNX C 706 -73.853 35.611 20.606 1.00 37.14 X HETATM 862 UNK UNX C 707 -77.538 30.495 20.291 1.00 38.04 X HETATM 863 UNK UNX C 708 -54.819 40.109 13.261 1.00 31.13 X HETATM 864 UNK UNX C 709 -71.495 30.699 26.839 1.00 45.56 X HETATM 865 UNK UNX C 710 -69.210 26.921 27.716 1.00 42.92 X HETATM 866 O HOH A 201 -74.600 28.944 12.161 1.00 37.34 O HETATM 867 O HOH A 202 -56.051 20.607 14.597 1.00 40.17 O HETATM 868 O HOH A 203 -68.094 26.749 6.177 1.00 45.18 O HETATM 869 O HOH A 204 -76.496 31.899 15.985 1.00 29.42 O HETATM 870 O HOH A 205 -72.912 34.376 4.095 1.00 50.12 O HETATM 871 O HOH A 206 -64.604 34.724 7.450 1.00 28.26 O HETATM 872 O HOH A 207 -78.229 35.442 16.247 1.00 39.26 O HETATM 873 O HOH A 208 -81.969 30.314 10.072 1.00 44.69 O HETATM 874 O HOH A 209 -54.971 29.865 8.541 1.00 39.03 O HETATM 875 O HOH A 210 -52.176 29.159 12.147 1.00 46.39 O HETATM 876 O HOH A 211 -70.646 32.553 2.598 1.00 42.29 O HETATM 877 O HOH A 212 -84.811 30.776 11.238 1.00 48.68 O HETATM 878 O HOH A 213 -76.545 32.405 18.544 1.00 43.11 O HETATM 879 O HOH B 201 -65.741 18.644 15.577 1.00 31.51 O HETATM 880 O HOH B 202 -51.780 20.217 5.643 1.00 40.13 O HETATM 881 O HOH B 203 -68.964 43.406 15.826 1.00 42.10 O HETATM 882 O HOH B 204 -55.290 19.741 9.965 1.00 34.95 O HETATM 883 O HOH B 205 -66.065 35.283 15.270 1.00 27.30 O HETATM 884 O HOH B 206 -72.565 32.896 14.750 1.00 30.05 O HETATM 885 O HOH B 207 -69.125 16.007 12.624 1.00 51.73 O HETATM 886 O HOH B 208 -67.656 37.111 20.710 1.00 25.64 O HETATM 887 O HOH B 209 -61.246 24.697 15.592 1.00 50.35 O HETATM 888 O HOH B 210 -71.376 24.819 20.472 1.00 45.15 O HETATM 889 O HOH B 211 -75.298 36.345 15.706 1.00 38.24 O HETATM 890 O HOH B 212 -63.002 18.683 12.592 1.00 34.76 O HETATM 891 O HOH B 213 -79.843 41.220 11.045 0.50 35.48 O HETATM 892 O HOH B 214 -74.699 36.454 5.803 1.00 36.37 O HETATM 893 O HOH B 215 -43.136 30.315 6.226 0.50 38.87 O HETATM 894 O HOH B 216 -63.291 27.740 15.385 1.00 43.20 O HETATM 895 O HOH B 217 -48.917 19.945 4.625 1.00 45.33 O HETATM 896 O HOH B 218 -64.628 21.051 16.208 1.00 43.98 O HETATM 897 O HOH B 219 -66.928 22.829 8.397 1.00 47.62 O HETATM 898 O HOH B 220 -68.201 18.885 16.320 1.00 44.60 O HETATM 899 O HOH B 221 -73.838 34.318 16.710 1.00 35.76 O HETATM 900 O HOH C 801 -59.144 34.010 15.221 1.00 40.15 O HETATM 901 O HOH C 802 -59.273 37.211 19.678 1.00 38.85 O HETATM 902 O HOH C 803 -58.733 50.161 9.602 1.00 38.27 O HETATM 903 O HOH C 804 -60.820 38.872 22.521 1.00 32.06 O HETATM 904 O HOH C 805 -64.999 41.455 11.004 1.00 33.89 O HETATM 905 O HOH C 806 -62.248 35.978 8.616 1.00 45.12 O HETATM 906 O HOH C 807 -69.497 48.196 17.231 1.00 51.15 O HETATM 907 O HOH C 808 -54.120 35.955 15.597 1.00 53.90 O HETATM 908 O HOH C 809 -57.307 41.436 6.577 1.00 35.34 O HETATM 909 O HOH C 810 -62.004 46.872 20.662 0.50 38.53 O HETATM 910 O HOH C 811 -61.584 51.203 14.798 1.00 37.55 O HETATM 911 O HOH C 812 -65.516 48.262 7.354 1.00 45.75 O HETATM 912 O HOH C 813 -62.864 36.453 16.048 1.00 28.84 O HETATM 913 O HOH C 814 -66.372 43.126 15.087 1.00 29.50 O HETATM 914 O HOH C 815 -68.168 39.276 22.330 1.00 31.26 O HETATM 915 O HOH C 816 -66.262 30.538 19.202 1.00 32.13 O HETATM 916 O HOH C 817 -62.822 46.845 6.729 1.00 40.76 O HETATM 917 O HOH C 818 -62.078 48.519 10.892 1.00 31.86 O HETATM 918 O HOH C 819 -63.552 45.482 4.538 1.00 37.23 O HETATM 919 O HOH C 820 -60.203 32.952 27.147 0.50 37.35 O HETATM 920 O HOH C 821 -65.312 43.569 12.528 1.00 40.28 O HETATM 921 O HOH C 822 -64.930 50.173 24.486 0.50 35.06 O HETATM 922 O HOH C 823 -69.119 45.711 14.348 1.00 49.36 O HETATM 923 O HOH C 824 -60.735 35.523 17.314 1.00 36.66 O CONECT 537 856 CONECT 558 856 CONECT 578 856 CONECT 623 857 CONECT 642 857 CONECT 667 857 CONECT 753 857 CONECT 796 856 CONECT 856 537 558 578 796 CONECT 857 623 642 667 753 MASTER 363 0 19 3 0 0 3 6 911 3 10 6 END
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Related entries of code: 6asd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
12aa, >3QMB_2|Chains... *
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PDBbind
12aa, >4HP1_1|Chains... at 100%
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RCSB PDB
PDBbind
12aa, >6CNP_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4z3c
RCSB PDB
PDBbind
CpG DNA (5-GCCAACGTTGGC-3)
5vc9
RCSB PDB
PDBbind
CpG DNA (5-GCCAACGTTGGC-3)
5w9q
RCSB PDB
PDBbind
CpG DNA (5-GCCAACGTTGGC-3)
5w9s
RCSB PDB
PDBbind
CpG DNA (5-GCCAACGTTGGC-3)
6asb
RCSB PDB
PDBbind
CpG DNA (5-GCCAACGTTGGC-3)
Entry Information
PDB ID
6asd
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Zinc finger region of human TET1
Ligand Name
CpG DNA (5-GCCAACGTTGGC-3)
EC.Number
E.C.1.14.11.n2
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Structure Vol. 26: pp. 85-95
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):
Q8NFU7
Entrez Gene ID
NCBI Entrez Gene ID:
80312
ASD
Information of known allosteric effects of PDB entries
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