Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 04-FEB-11 3QMH TITLE STRUCTURAL BASIS OF SELECTIVE BINDING OF NON-METHYLATED CPG ISLANDS TITLE 2 (DNA-TCGA) BY THE CXXC DOMAIN OF CFP1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CPG-BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CXXC-TYPE ZN FINGER, RESIDUES 161-222; COMPND 5 SYNONYM: CXXC-TYPE ZINC FINGER PROTEIN 1, PHD FINGER AND CXXC DOMAIN- COMPND 6 CONTAINING PROTEIN 1; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3'; COMPND 10 CHAIN: B, C; COMPND 11 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CFP1, CGBP, CXXC1, PCCX1, PHF18; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: BL21-V2R-PRARE2; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES KEYWDS STRUCTURAL GENOMICS CONSORTIUM, SGC, DNA BINDING, DNA BINDING KEYWDS 2 PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR C.XU,C.BIAN,F.MACKENZIE,C.BOUNTRA,J.WEIGELT,C.H.ARROWSMITH, AUTHOR 2 A.M.EDWARDS,J.MIN,STRUCTURAL GENOMICS CONSORTIUM (SGC) REVDAT 3 30-MAR-11 3QMH 1 JRNL REVDAT 2 16-MAR-11 3QMH 1 JRNL REVDAT 1 23-FEB-11 3QMH 0 JRNL AUTH C.XU,C.BIAN,R.LAM,A.DONG,J.MIN JRNL TITL THE STRUCTURAL BASIS FOR SELECTIVE BINDING OF NON-METHYLATED JRNL TITL 2 CPG ISLANDS BY THE CFP1 CXXC DOMAIN. JRNL REF NAT COMMUN V. 2 227 2011 JRNL REFN ESSN 2041-1723 JRNL PMID 21407193 JRNL DOI 10.1038/NCOMMS1237 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0110 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.98 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 94.7 REMARK 3 NUMBER OF REFLECTIONS : 4683 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.207 REMARK 3 R VALUE (WORKING SET) : 0.206 REMARK 3 FREE R VALUE : 0.231 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.600 REMARK 3 FREE R VALUE TEST SET COUNT : 228 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) : 2.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.56 REMARK 3 REFLECTION IN BIN (WORKING SET) : 303 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 86.60 REMARK 3 BIN R VALUE (WORKING SET) : 0.2690 REMARK 3 BIN FREE R VALUE SET COUNT : 20 REMARK 3 BIN FREE R VALUE : 0.4160 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 399 REMARK 3 NUCLEIC ACID ATOMS : 486 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 7 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 57.38 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.23000 REMARK 3 B22 (A**2) : -0.07000 REMARK 3 B33 (A**2) : -0.16000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.261 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.227 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 24.020 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.950 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.930 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 947 ; 0.004 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1370 ; 1.098 ; 2.589 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 52 ; 7.883 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 20 ;33.154 ;19.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 71 ;16.805 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;22.792 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 147 ; 0.064 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 565 ; 0.015 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL 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): 261 ; 1.054 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 403 ; 1.777 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 686 ; 3.018 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 967 ; 4.445 ; 4.500 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 -10 A 9999 REMARK 3 ORIGIN FOR THE GROUP (A): -4.1083 11.0130 -21.5354 REMARK 3 T TENSOR REMARK 3 T11: 0.1009 T22: 0.3057 REMARK 3 T33: 0.1747 T12: 0.0744 REMARK 3 T13: 0.0233 T23: 0.0212 REMARK 3 L TENSOR REMARK 3 L11: 7.9679 L22: 1.8025 REMARK 3 L33: 8.7494 L12: -0.1377 REMARK 3 L13: -0.8546 L23: 1.4638 REMARK 3 S TENSOR REMARK 3 S11: -0.1480 S12: 0.2465 S13: 0.3994 REMARK 3 S21: 0.0149 S22: 0.2077 S23: -0.0070 REMARK 3 S31: -0.2986 S32: -0.0396 S33: -0.0597 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 -10 B 9999 REMARK 3 ORIGIN FOR THE GROUP (A): -3.8335 12.2412 -7.5960 REMARK 3 T TENSOR REMARK 3 T11: 0.3442 T22: 0.1966 REMARK 3 T33: 0.2031 T12: 0.1526 REMARK 3 T13: -0.0121 T23: -0.0009 REMARK 3 L TENSOR REMARK 3 L11: 3.9565 L22: 10.4703 REMARK 3 L33: 5.9667 L12: -2.5440 REMARK 3 L13: 0.1170 L23: -0.9465 REMARK 3 S TENSOR REMARK 3 S11: -0.1004 S12: 0.1733 S13: 0.4258 REMARK 3 S21: 0.8062 S22: -0.2483 S23: -0.4768 REMARK 3 S31: 0.1117 S32: -0.4085 S33: 0.3487 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 -10 C 9999 REMARK 3 ORIGIN FOR THE GROUP (A): -5.0348 11.8531 -8.4393 REMARK 3 T TENSOR REMARK 3 T11: 0.3107 T22: 0.2569 REMARK 3 T33: 0.1137 T12: 0.2368 REMARK 3 T13: 0.0208 T23: 0.0032 REMARK 3 L TENSOR REMARK 3 L11: 4.8668 L22: 22.8986 REMARK 3 L33: 3.5903 L12: -5.6973 REMARK 3 L13: -0.7577 L23: 2.5209 REMARK 3 S TENSOR REMARK 3 S11: 0.4374 S12: 0.0576 S13: 0.1628 REMARK 3 S21: -0.2290 S22: -0.7237 S23: -0.3777 REMARK 3 S31: -0.2985 S32: -0.2519 S33: 0.2862 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3QMH COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-FEB-11. REMARK 100 THE RCSB ID CODE IS RCSB063830. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-DEC-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97924 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 4683 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> 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: NULL REMARK 200 STARTING MODEL: 3QMB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 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 62.03100 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 62.03100 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 15.22900 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 36.97800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 15.22900 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 36.97800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 62.03100 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 15.22900 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 36.97800 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 62.03100 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 15.22900 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 36.97800 REMARK 290 SMTRY3 8 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: 2330 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6940 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 MET A 144 REMARK 465 HIS A 145 REMARK 465 HIS A 146 REMARK 465 HIS A 147 REMARK 465 HIS A 148 REMARK 465 HIS A 149 REMARK 465 HIS A 150 REMARK 465 SER A 151 REMARK 465 SER A 152 REMARK 465 ARG A 153 REMARK 465 GLU A 154 REMARK 465 ASN A 155 REMARK 465 LEU A 156 REMARK 465 TYR A 157 REMARK 465 PHE A 158 REMARK 465 GLN A 159 REMARK 465 GLY A 160 REMARK 465 GLN A 161 REMARK 465 ILE A 162 REMARK 465 LYS A 163 REMARK 465 ARG A 164 REMARK 465 SER A 165 REMARK 465 PHE A 219 REMARK 465 PRO A 220 REMARK 465 SER A 221 REMARK 465 SER A 222 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 GLU A 171 CG CD OE1 OE2 REMARK 470 GLU A 173 CG CD OE1 OE2 REMARK 470 LYS A 191 CG CD CE NZ REMARK 470 LYS A 192 CG CD CE NZ REMARK 470 LYS A 198 CG CD CE NZ REMARK 470 GLN A 209 CG CD OE1 NE2 REMARK 470 GLU A 214 CG CD OE1 OE2 REMARK 470 TYR A 218 CG CD1 CD2 CE1 CE2 CZ OH 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 DT B 5 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 5 N3 - C4 - O4 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT C 9 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT C 9 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 203 139.96 -36.31 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 300 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 172 SG REMARK 620 2 CYS A 208 SG 122.3 REMARK 620 3 CYS A 169 SG 111.9 104.2 REMARK 620 4 CYS A 175 SG 99.9 105.1 113.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 301 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 181 SG REMARK 620 2 CYS A 203 SG 99.5 REMARK 620 3 CYS A 184 SG 108.0 123.8 REMARK 620 4 CYS A 187 SG 117.4 103.1 105.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 300 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3QMB RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. REMARK 900 RELATED ID: 3QMC RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. REMARK 900 RELATED ID: 3QMD RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. REMARK 900 RELATED ID: 3QMG RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. REMARK 900 RELATED ID: 3QMI RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. DBREF 3QMH A 161 222 UNP Q9P0U4 CXXC1_HUMAN 161 222 DBREF 3QMH B 1 12 PDB 3QMH 3QMH 1 12 DBREF 3QMH C 1 12 PDB 3QMH 3QMH 1 12 SEQADV 3QMH MET A 144 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 145 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 146 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 147 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 148 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 149 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH HIS A 150 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH SER A 151 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH SER A 152 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH ARG A 153 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH GLU A 154 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH ASN A 155 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH LEU A 156 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH TYR A 157 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH PHE A 158 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH GLN A 159 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMH GLY A 160 UNP Q9P0U4 EXPRESSION TAG SEQRES 1 A 79 MET HIS HIS HIS HIS HIS HIS SER SER ARG GLU ASN LEU SEQRES 2 A 79 TYR PHE GLN GLY GLN ILE LYS ARG SER ALA ARG MET CYS SEQRES 3 A 79 GLY GLU CYS GLU ALA CYS ARG ARG THR GLU ASP CYS GLY SEQRES 4 A 79 HIS CYS ASP PHE CYS ARG ASP MET LYS LYS PHE GLY GLY SEQRES 5 A 79 PRO ASN LYS ILE ARG GLN LYS CYS ARG LEU ARG GLN CYS SEQRES 6 A 79 GLN LEU ARG ALA ARG GLU SER TYR LYS TYR PHE PRO SER SEQRES 7 A 79 SER SEQRES 1 B 12 DG DC DC DA DT DC DG DA DT DG DG DC SEQRES 1 C 12 DG DC DC DA DT DC DG DA DT DG DG DC HET ZN A 300 1 HET ZN A 301 1 HETNAM ZN ZINC ION FORMUL 4 ZN 2(ZN 2+) FORMUL 6 HOH *7(H2 O) HELIX 1 1 CYS A 172 ARG A 177 1 6 HELIX 2 2 CYS A 184 ASP A 189 1 6 HELIX 3 3 MET A 190 GLY A 194 5 5 HELIX 4 4 ARG A 213 LYS A 217 5 5 LINK SG CYS A 172 ZN ZN A 300 1555 1555 2.11 LINK SG CYS A 181 ZN ZN A 301 1555 1555 2.15 LINK SG CYS A 203 ZN ZN A 301 1555 1555 2.16 LINK SG CYS A 184 ZN ZN A 301 1555 1555 2.18 LINK SG CYS A 208 ZN ZN A 300 1555 1555 2.20 LINK SG CYS A 187 ZN ZN A 301 1555 1555 2.24 LINK SG CYS A 169 ZN ZN A 300 1555 1555 2.30 LINK SG CYS A 175 ZN ZN A 300 1555 1555 2.41 SITE 1 AC1 4 CYS A 169 CYS A 172 CYS A 175 CYS A 208 SITE 1 AC2 4 CYS A 181 CYS A 184 CYS A 187 CYS A 203 CRYST1 30.458 73.956 124.062 90.00 90.00 90.00 C 2 2 21 16 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 0.032832 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013522 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008060 0.00000 ATOM 1 N ALA A 166 -14.918 3.577 -16.001 1.00 55.46 N ANISOU 1 N ALA A 166 5534 9539 5998 -690 1217 304 N ATOM 2 CA ALA A 166 -15.407 4.752 -15.214 1.00 55.15 C ANISOU 2 CA ALA A 166 5246 9909 5798 -402 1177 266 C ATOM 3 C ALA A 166 -15.086 6.072 -15.907 1.00 52.72 C ANISOU 3 C ALA A 166 4836 9623 5571 -4 987 142 C ATOM 4 O ALA A 166 -15.984 6.867 -16.182 1.00 54.48 O ANISOU 4 O ALA A 166 4759 10225 5714 141 944 23 O ATOM 5 CB ALA A 166 -14.819 4.739 -13.811 1.00 56.38 C ANISOU 5 CB ALA A 166 5576 9987 5859 -270 1225 428 C ATOM 6 N ARG A 167 -13.804 6.307 -16.182 1.00 47.91 N ANISOU 6 N ARG A 167 4473 8616 5114 179 881 184 N ATOM 7 CA ARG A 167 -13.413 7.335 -17.133 1.00 44.44 C ANISOU 7 CA ARG A 167 3997 8108 4781 432 728 116 C ATOM 8 C ARG A 167 -13.045 6.758 -18.491 1.00 44.27 C ANISOU 8 C ARG A 167 4037 7937 4848 272 690 105 C ATOM 9 O ARG A 167 -12.321 7.391 -19.254 1.00 43.70 O ANISOU 9 O ARG A 167 4020 7725 4860 436 581 111 O ATOM 10 CB ARG A 167 -12.231 8.129 -16.599 1.00 41.99 C ANISOU 10 CB ARG A 167 3865 7534 4557 698 645 130 C ATOM 11 CG ARG A 167 -12.559 8.962 -15.385 1.00 46.07 C ANISOU 11 CG ARG A 167 4293 8229 4982 907 658 54 C ATOM 12 CD ARG A 167 -13.670 9.946 -15.685 1.00 51.55 C ANISOU 12 CD ARG A 167 4738 9198 5649 1107 625 -55 C ATOM 13 NE ARG A 167 -13.882 10.862 -14.570 1.00 54.39 N ANISOU 13 NE ARG A 167 5029 9685 5952 1365 633 -200 N ATOM 14 CZ ARG A 167 -14.549 12.005 -14.664 1.00 55.97 C ANISOU 14 CZ ARG A 167 5084 9999 6184 1680 584 -332 C ATOM 15 NH1 ARG A 167 -15.083 12.369 -15.823 1.00 59.72 N ANISOU 15 NH1 ARG A 167 5458 10512 6721 1791 513 -276 N ATOM 16 NH2 ARG A 167 -14.689 12.777 -13.597 1.00 61.41 N ANISOU 16 NH2 ARG A 167 5724 10782 6827 1913 604 -527 N ATOM 17 N MET A 168 -13.531 5.556 -18.791 1.00 46.66 N ANISOU 17 N MET A 168 4331 8274 5125 -76 793 70 N ATOM 18 CA MET A 168 -13.204 4.892 -20.052 1.00 47.20 C ANISOU 18 CA MET A 168 4450 8223 5262 -252 773 -18 C ATOM 19 C MET A 168 -14.397 4.147 -20.628 1.00 50.36 C ANISOU 19 C MET A 168 4634 8933 5569 -619 856 -167 C ATOM 20 O MET A 168 -14.876 3.186 -20.027 1.00 52.25 O ANISOU 20 O MET A 168 4932 9117 5804 -942 1009 -170 O ATOM 21 CB MET A 168 -12.059 3.905 -19.857 1.00 46.05 C ANISOU 21 CB MET A 168 4642 7603 5254 -320 823 26 C ATOM 22 CG MET A 168 -10.715 4.450 -20.264 1.00 49.81 C ANISOU 22 CG MET A 168 5238 7873 5813 -49 705 48 C ATOM 23 SD MET A 168 -9.401 3.246 -19.996 1.00 60.86 S ANISOU 23 SD MET A 168 6977 8801 7346 -38 755 79 S ATOM 24 CE MET A 168 -9.539 2.257 -21.491 1.00 61.33 C ANISOU 24 CE MET A 168 7033 8803 7466 -298 795 -160 C ATOM 25 N CYS A 169 -14.794 4.517 -21.845 1.00 50.84 N ANISOU 25 N CYS A 169 4458 9315 5545 -604 762 -287 N ATOM 26 CA CYS A 169 -15.864 3.816 -22.541 1.00 53.34 C ANISOU 26 CA CYS A 169 4513 10014 5740 -976 820 -496 C ATOM 27 C CYS A 169 -15.356 2.504 -23.125 1.00 54.20 C ANISOU 27 C CYS A 169 4842 9781 5971 -1333 907 -667 C ATOM 28 O CYS A 169 -16.083 1.520 -23.178 1.00 57.30 O ANISOU 28 O CYS A 169 5177 10242 6353 -1781 1039 -845 O ATOM 29 CB CYS A 169 -16.474 4.701 -23.632 1.00 54.28 C ANISOU 29 CB CYS A 169 4269 10687 5670 -783 669 -553 C ATOM 30 SG CYS A 169 -15.508 4.859 -25.156 1.00 54.33 S ANISOU 30 SG CYS A 169 4343 10635 5665 -667 537 -589 S ATOM 31 N GLY A 170 -14.082 2.478 -23.500 1.00 53.18 N ANISOU 31 N GLY A 170 4973 9262 5969 -1141 847 -633 N ATOM 32 CA GLY A 170 -13.457 1.271 -24.036 1.00 55.08 C ANISOU 32 CA GLY A 170 5450 9127 6349 -1375 925 -824 C ATOM 33 C GLY A 170 -13.697 1.096 -25.525 1.00 56.95 C ANISOU 33 C GLY A 170 5459 9717 6461 -1533 869 -1123 C ATOM 34 O GLY A 170 -13.413 0.041 -26.093 1.00 59.11 O ANISOU 34 O GLY A 170 5869 9761 6829 -1783 947 -1391 O ATOM 35 N GLU A 171 -14.221 2.134 -26.166 1.00 56.35 N ANISOU 35 N GLU A 171 5037 10211 6161 -1360 733 -1083 N ATOM 36 CA GLU A 171 -14.807 1.974 -27.486 1.00 58.71 C ANISOU 36 CA GLU A 171 5017 11048 6242 -1549 679 -1357 C ATOM 37 C GLU A 171 -14.382 3.082 -28.440 1.00 57.42 C ANISOU 37 C GLU A 171 4695 11232 5890 -1182 505 -1210 C ATOM 38 O GLU A 171 -14.427 2.904 -29.648 1.00 62.61 O ANISOU 38 O GLU A 171 5158 12278 6352 -1278 452 -1414 O ATOM 39 CB GLU A 171 -16.333 1.887 -27.391 1.00 61.41 C ANISOU 39 CB GLU A 171 4984 11943 6406 -1824 711 -1486 C ATOM 40 N CYS A 172 -13.934 4.213 -27.913 1.00 54.56 N ANISOU 40 N CYS A 172 4430 10722 5578 -784 427 -861 N ATOM 41 CA CYS A 172 -13.592 5.339 -28.773 1.00 53.57 C ANISOU 41 CA CYS A 172 4194 10871 5288 -463 284 -652 C ATOM 42 C CYS A 172 -12.173 5.196 -29.306 1.00 52.03 C ANISOU 42 C CYS A 172 4220 10389 5161 -422 287 -656 C ATOM 43 O CYS A 172 -11.459 4.260 -28.942 1.00 50.67 O ANISOU 43 O CYS A 172 4281 9794 5176 -567 385 -826 O ATOM 44 CB CYS A 172 -13.737 6.655 -28.013 1.00 51.62 C ANISOU 44 CB CYS A 172 3981 10537 5096 -83 215 -309 C ATOM 45 SG CYS A 172 -12.704 6.740 -26.549 1.00 52.77 S ANISOU 45 SG CYS A 172 4524 9963 5563 19 293 -184 S ATOM 46 N GLU A 173 -11.780 6.118 -30.184 1.00 52.46 N ANISOU 46 N GLU A 173 4188 10699 5044 -211 187 -453 N ATOM 47 CA GLU A 173 -10.425 6.131 -30.742 1.00 51.65 C ANISOU 47 CA GLU A 173 4231 10439 4953 -176 197 -435 C ATOM 48 C GLU A 173 -9.411 6.214 -29.611 1.00 48.84 C ANISOU 48 C GLU A 173 4187 9475 4894 -75 253 -334 C ATOM 49 O GLU A 173 -8.430 5.473 -29.598 1.00 49.82 O ANISOU 49 O GLU A 173 4454 9355 5120 -141 316 -507 O ATOM 50 CB GLU A 173 -10.224 7.310 -31.703 1.00 50.45 C ANISOU 50 CB GLU A 173 3961 10640 4567 25 98 -119 C ATOM 51 N ALA A 174 -9.693 7.087 -28.645 1.00 46.98 N ANISOU 51 N ALA A 174 4032 9040 4779 108 225 -91 N ATOM 52 CA ALA A 174 -8.782 7.378 -27.544 1.00 44.56 C ANISOU 52 CA ALA A 174 3971 8260 4701 220 255 9 C ATOM 53 C ALA A 174 -8.565 6.146 -26.690 1.00 43.88 C ANISOU 53 C ALA A 174 4038 7865 4769 93 348 -194 C ATOM 54 O ALA A 174 -7.435 5.820 -26.344 1.00 42.84 O ANISOU 54 O ALA A 174 4070 7460 4749 139 376 -228 O ATOM 55 CB ALA A 174 -9.326 8.512 -26.693 1.00 44.68 C ANISOU 55 CB ALA A 174 4011 8176 4789 428 213 228 C ATOM 56 N CYS A 175 -9.653 5.444 -26.394 1.00 46.07 N ANISOU 56 N CYS A 175 4250 8216 5037 -71 398 -316 N ATOM 57 CA CYS A 175 -9.610 4.251 -25.556 1.00 47.19 C ANISOU 57 CA CYS A 175 4578 8023 5328 -223 508 -443 C ATOM 58 C CYS A 175 -8.842 3.094 -26.186 1.00 49.63 C ANISOU 58 C CYS A 175 5010 8149 5697 -340 567 -684 C ATOM 59 O CYS A 175 -8.303 2.244 -25.472 1.00 51.19 O ANISOU 59 O CYS A 175 5454 7937 6061 -332 643 -714 O ATOM 60 CB CYS A 175 -11.027 3.790 -25.214 1.00 49.73 C ANISOU 60 CB CYS A 175 4776 8517 5605 -456 575 -519 C ATOM 61 SG CYS A 175 -11.789 4.725 -23.886 1.00 47.09 S ANISOU 61 SG CYS A 175 4379 8251 5261 -288 566 -291 S ATOM 62 N ARG A 176 -8.888 3.001 -27.512 1.00 50.93 N ANISOU 62 N ARG A 176 5001 8640 5712 -436 537 -869 N ATOM 63 CA ARG A 176 -8.330 1.855 -28.228 1.00 53.04 C ANISOU 63 CA ARG A 176 5345 8791 6016 -560 603 -1198 C ATOM 64 C ARG A 176 -6.833 2.038 -28.454 1.00 52.50 C ANISOU 64 C ARG A 176 5360 8614 5972 -315 576 -1176 C ATOM 65 O ARG A 176 -6.093 1.088 -28.715 1.00 55.06 O ANISOU 65 O ARG A 176 5807 8729 6384 -292 636 -1426 O ATOM 66 CB ARG A 176 -9.035 1.701 -29.568 1.00 55.64 C ANISOU 66 CB ARG A 176 5394 9635 6112 -776 581 -1459 C ATOM 67 CG ARG A 176 -10.215 0.754 -29.528 1.00 61.94 C ANISOU 67 CG ARG A 176 6146 10451 6937 -1144 668 -1727 C ATOM 68 CD ARG A 176 -10.694 0.481 -30.936 1.00 72.47 C ANISOU 68 CD ARG A 176 7182 12341 8012 -1362 641 -2081 C ATOM 69 NE ARG A 176 -11.278 1.680 -31.523 1.00 76.21 N ANISOU 69 NE ARG A 176 7314 13471 8172 -1232 501 -1855 N ATOM 70 CZ ARG A 176 -12.585 1.908 -31.592 1.00 83.38 C ANISOU 70 CZ ARG A 176 7936 14834 8909 -1374 461 -1863 C ATOM 71 NH1 ARG A 176 -13.442 0.991 -31.157 1.00 85.17 N ANISOU 71 NH1 ARG A 176 8156 14966 9238 -1741 569 -2123 N ATOM 72 NH2 ARG A 176 -13.035 3.033 -32.134 1.00 86.56 N ANISOU 72 NH2 ARG A 176 8054 15807 9027 -1154 321 -1609 N ATOM 73 N ARG A 177 -6.399 3.277 -28.286 1.00 49.50 N ANISOU 73 N ARG A 177 4916 8365 5528 -129 494 -887 N ATOM 74 CA ARG A 177 -5.049 3.702 -28.575 1.00 48.89 C ANISOU 74 CA ARG A 177 4833 8322 5419 39 469 -842 C ATOM 75 C ARG A 177 -4.090 3.192 -27.500 1.00 48.92 C ANISOU 75 C ARG A 177 5053 7913 5622 216 500 -841 C ATOM 76 O ARG A 177 -4.401 3.230 -26.309 1.00 48.08 O ANISOU 76 O ARG A 177 5087 7540 5640 267 504 -685 O ATOM 77 CB ARG A 177 -5.072 5.226 -28.604 1.00 46.86 C ANISOU 77 CB ARG A 177 4478 8258 5067 112 391 -514 C ATOM 78 CG ARG A 177 -3.737 5.902 -28.686 1.00 51.27 C ANISOU 78 CG ARG A 177 5032 8839 5610 210 378 -408 C ATOM 79 CD ARG A 177 -3.949 7.403 -28.746 1.00 55.79 C ANISOU 79 CD ARG A 177 5565 9501 6130 227 324 -78 C ATOM 80 NE ARG A 177 -4.838 7.777 -29.843 1.00 56.82 N ANISOU 80 NE ARG A 177 5542 9998 6048 167 288 22 N ATOM 81 CZ ARG A 177 -4.408 7.994 -31.082 1.00 61.36 C ANISOU 81 CZ ARG A 177 5972 10953 6388 98 292 58 C ATOM 82 NH1 ARG A 177 -5.260 8.359 -32.036 1.00 55.54 N ANISOU 82 NH1 ARG A 177 5080 10609 5413 80 244 188 N ATOM 83 NH2 ARG A 177 -3.108 7.871 -31.345 1.00 59.48 N ANISOU 83 NH2 ARG A 177 5714 10765 6121 61 343 -26 N ATOM 84 N THR A 178 -2.943 2.664 -27.917 1.00 50.95 N ANISOU 84 N THR A 178 5310 8174 5875 334 523 -1028 N ATOM 85 CA THR A 178 -1.982 2.111 -26.963 1.00 51.54 C ANISOU 85 CA THR A 178 5554 7928 6101 574 536 -1031 C ATOM 86 C THR A 178 -0.695 2.924 -26.795 1.00 50.12 C ANISOU 86 C THR A 178 5248 7944 5850 740 483 -934 C ATOM 87 O THR A 178 0.121 2.620 -25.928 1.00 49.67 O ANISOU 87 O THR A 178 5272 7731 5871 968 468 -915 O ATOM 88 CB THR A 178 -1.636 0.633 -27.265 1.00 54.78 C ANISOU 88 CB THR A 178 6106 8089 6620 667 612 -1349 C ATOM 89 OG1 THR A 178 -1.032 0.529 -28.561 1.00 59.03 O ANISOU 89 OG1 THR A 178 6444 8978 7007 667 625 -1630 O ATOM 90 CG2 THR A 178 -2.888 -0.233 -27.221 1.00 56.02 C ANISOU 90 CG2 THR A 178 6430 7963 6893 432 689 -1452 C ATOM 91 N GLU A 179 -0.521 3.973 -27.592 1.00 47.95 N ANISOU 91 N GLU A 179 4771 8034 5412 613 457 -854 N ATOM 92 CA GLU A 179 0.756 4.669 -27.622 1.00 48.78 C ANISOU 92 CA GLU A 179 4728 8370 5436 674 439 -814 C ATOM 93 C GLU A 179 0.630 6.135 -27.238 1.00 47.57 C ANISOU 93 C GLU A 179 4553 8246 5277 546 398 -525 C ATOM 94 O GLU A 179 -0.154 6.869 -27.836 1.00 50.55 O ANISOU 94 O GLU A 179 4906 8714 5586 392 392 -362 O ATOM 95 CB GLU A 179 1.411 4.541 -28.994 1.00 49.44 C ANISOU 95 CB GLU A 179 4593 8876 5318 615 483 -1001 C ATOM 96 CG GLU A 179 1.827 3.125 -29.353 1.00 53.04 C ANISOU 96 CG GLU A 179 5059 9297 5795 801 531 -1372 C ATOM 97 CD GLU A 179 1.968 2.931 -30.849 1.00 54.47 C ANISOU 97 CD GLU A 179 5024 9929 5742 690 583 -1610 C ATOM 98 OE1 GLU A 179 1.502 3.819 -31.589 1.00 57.16 O ANISOU 98 OE1 GLU A 179 5239 10586 5895 456 576 -1426 O ATOM 99 OE2 GLU A 179 2.530 1.901 -31.286 1.00 55.54 O ANISOU 99 OE2 GLU A 179 5119 10117 5867 862 633 -1978 O ATOM 100 N ASP A 180 1.450 6.564 -26.282 1.00 45.52 N ANISOU 100 N ASP A 180 4290 7928 5076 625 370 -483 N ATOM 101 CA ASP A 180 1.464 7.949 -25.831 1.00 42.29 C ANISOU 101 CA ASP A 180 3884 7483 4700 488 345 -284 C ATOM 102 C ASP A 180 2.115 8.817 -26.889 1.00 41.96 C ANISOU 102 C ASP A 180 3683 7736 4524 269 387 -208 C ATOM 103 O ASP A 180 3.114 8.426 -27.467 1.00 44.01 O ANISOU 103 O ASP A 180 3761 8307 4655 263 424 -361 O ATOM 104 CB ASP A 180 2.253 8.077 -24.525 1.00 42.73 C ANISOU 104 CB ASP A 180 3940 7475 4821 600 305 -340 C ATOM 105 CG ASP A 180 1.667 7.249 -23.404 1.00 38.82 C ANISOU 105 CG ASP A 180 3611 6725 4415 815 275 -348 C ATOM 106 OD1 ASP A 180 0.439 7.291 -23.190 1.00 48.50 O ANISOU 106 OD1 ASP A 180 4974 7747 5707 781 280 -239 O ATOM 107 OD2 ASP A 180 2.441 6.566 -22.711 1.00 46.14 O ANISOU 107 OD2 ASP A 180 4515 7692 5322 1028 248 -442 O ATOM 108 N CYS A 181 1.596 10.022 -27.083 1.00 42.26 N ANISOU 108 N CYS A 181 3793 7675 4590 104 389 39 N ATOM 109 CA CYS A 181 2.099 10.900 -28.132 1.00 43.54 C ANISOU 109 CA CYS A 181 3856 8070 4619 -137 448 206 C ATOM 110 C CYS A 181 3.491 11.429 -27.797 1.00 44.77 C ANISOU 110 C CYS A 181 3885 8355 4769 -311 491 129 C ATOM 111 O CYS A 181 4.308 11.665 -28.686 1.00 48.79 O ANISOU 111 O CYS A 181 4217 9215 5106 -515 568 154 O ATOM 112 CB CYS A 181 1.128 12.058 -28.367 1.00 43.87 C ANISOU 112 CB CYS A 181 4065 7883 4720 -213 438 541 C ATOM 113 SG CYS A 181 1.037 13.225 -27.009 1.00 45.64 S ANISOU 113 SG CYS A 181 4495 7624 5223 -234 415 607 S ATOM 114 N GLY A 182 3.787 11.543 -26.509 1.00 43.02 N ANISOU 114 N GLY A 182 3710 7938 4698 -242 446 5 N ATOM 115 CA GLY A 182 5.107 11.973 -26.081 1.00 42.87 C ANISOU 115 CA GLY A 182 3515 8121 4653 -414 473 -138 C ATOM 116 C GLY A 182 5.295 13.470 -26.222 1.00 45.90 C ANISOU 116 C GLY A 182 3978 8344 5117 -793 542 49 C ATOM 117 O GLY A 182 6.399 13.976 -26.054 1.00 48.91 O ANISOU 117 O GLY A 182 4194 8926 5465 -1062 594 -64 O ATOM 118 N HIS A 183 4.223 14.186 -26.550 1.00 47.83 N ANISOU 118 N HIS A 183 4475 8229 5470 -818 549 335 N ATOM 119 CA HIS A 183 4.349 15.597 -26.911 1.00 51.11 C ANISOU 119 CA HIS A 183 5033 8409 5978 -1159 634 587 C ATOM 120 C HIS A 183 3.403 16.541 -26.168 1.00 50.90 C ANISOU 120 C HIS A 183 5322 7795 6223 -1083 600 699 C ATOM 121 O HIS A 183 3.678 17.734 -26.052 1.00 55.55 O ANISOU 121 O HIS A 183 6070 8064 6974 -1360 671 798 O ATOM 122 CB HIS A 183 4.216 15.788 -28.424 1.00 53.89 C ANISOU 122 CB HIS A 183 5368 8970 6136 -1294 711 919 C ATOM 123 CG HIS A 183 5.440 15.402 -29.193 1.00 57.35 C ANISOU 123 CG HIS A 183 5491 9986 6315 -1530 802 820 C ATOM 124 ND1 HIS A 183 5.642 14.129 -29.681 1.00 58.81 N ANISOU 124 ND1 HIS A 183 5429 10642 6276 -1318 777 605 N ATOM 125 CD2 HIS A 183 6.520 16.127 -29.573 1.00 65.95 C ANISOU 125 CD2 HIS A 183 6457 11274 7325 -1969 933 885 C ATOM 126 CE1 HIS A 183 6.796 14.084 -30.325 1.00 64.13 C ANISOU 126 CE1 HIS A 183 5816 11824 6728 -1566 880 526 C ATOM 127 NE2 HIS A 183 7.345 15.285 -30.280 1.00 67.27 N ANISOU 127 NE2 HIS A 183 6267 12100 7193 -1988 979 707 N ATOM 128 N CYS A 184 2.300 16.016 -25.652 1.00 47.34 N ANISOU 128 N CYS A 184 4961 7199 5828 -722 506 659 N ATOM 129 CA CYS A 184 1.359 16.849 -24.913 1.00 48.11 C ANISOU 129 CA CYS A 184 5311 6814 6156 -587 474 713 C ATOM 130 C CYS A 184 1.926 17.133 -23.534 1.00 49.39 C ANISOU 130 C CYS A 184 5465 6849 6454 -657 459 376 C ATOM 131 O CYS A 184 2.909 16.511 -23.121 1.00 49.92 O ANISOU 131 O CYS A 184 5311 7251 6407 -736 447 128 O ATOM 132 CB CYS A 184 0.018 16.136 -24.768 1.00 45.27 C ANISOU 132 CB CYS A 184 4975 6461 5764 -212 390 742 C ATOM 133 SG CYS A 184 0.139 14.561 -23.900 1.00 45.13 S ANISOU 133 SG CYS A 184 4776 6735 5638 -22 329 419 S ATOM 134 N ASP A 185 1.277 18.032 -22.800 1.00 50.45 N ANISOU 134 N ASP A 185 5815 6548 6805 -581 450 341 N ATOM 135 CA ASP A 185 1.778 18.431 -21.488 1.00 51.56 C ANISOU 135 CA ASP A 185 5942 6593 7054 -672 440 -24 C ATOM 136 C ASP A 185 1.806 17.240 -20.551 1.00 47.41 C ANISOU 136 C ASP A 185 5213 6443 6360 -431 351 -268 C ATOM 137 O ASP A 185 2.709 17.119 -19.723 1.00 48.56 O ANISOU 137 O ASP A 185 5196 6818 6438 -538 329 -559 O ATOM 138 CB ASP A 185 0.934 19.556 -20.880 1.00 54.85 C ANISOU 138 CB ASP A 185 6636 6472 7733 -567 449 -64 C ATOM 139 CG ASP A 185 -0.558 19.309 -21.014 1.00 56.42 C ANISOU 139 CG ASP A 185 6931 6573 7934 -139 394 128 C ATOM 140 OD1 ASP A 185 -1.348 20.149 -20.531 1.00 63.14 O ANISOU 140 OD1 ASP A 185 7976 7036 8978 42 394 83 O ATOM 141 OD2 ASP A 185 -0.945 18.286 -21.618 1.00 56.09 O ANISOU 141 OD2 ASP A 185 6755 6859 7700 12 355 293 O ATOM 142 N PHE A 186 0.802 16.376 -20.681 1.00 43.68 N ANISOU 142 N PHE A 186 4748 6043 5805 -117 304 -135 N ATOM 143 CA PHE A 186 0.636 15.241 -19.780 1.00 40.29 C ANISOU 143 CA PHE A 186 4200 5872 5236 119 240 -286 C ATOM 144 C PHE A 186 1.703 14.189 -20.060 1.00 41.41 C ANISOU 144 C PHE A 186 4136 6397 5199 90 227 -341 C ATOM 145 O PHE A 186 2.151 13.498 -19.147 1.00 42.55 O ANISOU 145 O PHE A 186 4167 6769 5230 222 176 -505 O ATOM 146 CB PHE A 186 -0.751 14.614 -19.943 1.00 37.31 C ANISOU 146 CB PHE A 186 3891 5453 4834 381 223 -124 C ATOM 147 CG PHE A 186 -1.876 15.464 -19.412 1.00 38.78 C ANISOU 147 CG PHE A 186 4213 5371 5150 524 222 -128 C ATOM 148 CD1 PHE A 186 -1.664 16.367 -18.381 1.00 40.47 C ANISOU 148 CD1 PHE A 186 4483 5424 5471 495 224 -365 C ATOM 149 CD2 PHE A 186 -3.165 15.301 -19.893 1.00 34.63 C ANISOU 149 CD2 PHE A 186 3723 4816 4618 708 217 52 C ATOM 150 CE1 PHE A 186 -2.699 17.143 -17.888 1.00 42.53 C ANISOU 150 CE1 PHE A 186 4861 5445 5854 679 229 -420 C ATOM 151 CE2 PHE A 186 -4.207 16.058 -19.392 1.00 40.00 C ANISOU 151 CE2 PHE A 186 4484 5315 5398 903 214 23 C ATOM 152 CZ PHE A 186 -3.974 16.982 -18.388 1.00 42.16 C ANISOU 152 CZ PHE A 186 4838 5382 5800 909 223 -215 C ATOM 153 N CYS A 187 2.048 14.016 -21.334 1.00 42.08 N ANISOU 153 N CYS A 187 4170 6584 5235 -32 269 -192 N ATOM 154 CA CYS A 187 3.149 13.139 -21.717 1.00 41.99 C ANISOU 154 CA CYS A 187 3940 6956 5059 -47 270 -288 C ATOM 155 C CYS A 187 4.488 13.696 -21.237 1.00 45.28 C ANISOU 155 C CYS A 187 4172 7594 5438 -272 276 -505 C ATOM 156 O CYS A 187 5.201 13.039 -20.477 1.00 44.55 O ANISOU 156 O CYS A 187 3901 7804 5222 -125 216 -701 O ATOM 157 CB CYS A 187 3.157 12.889 -23.230 1.00 42.20 C ANISOU 157 CB CYS A 187 3925 7106 5004 -136 326 -117 C ATOM 158 SG CYS A 187 2.012 11.576 -23.781 1.00 39.16 S ANISOU 158 SG CYS A 187 3605 6716 4558 142 303 -32 S ATOM 159 N ARG A 188 4.764 14.954 -21.568 1.00 48.72 N ANISOU 159 N ARG A 188 4664 7863 5986 -626 347 -469 N ATOM 160 CA ARG A 188 5.993 15.610 -21.125 1.00 51.86 C ANISOU 160 CA ARG A 188 4876 8465 6363 -949 374 -714 C ATOM 161 C ARG A 188 6.234 15.409 -19.629 1.00 51.88 C ANISOU 161 C ARG A 188 4772 8626 6314 -790 277 -1021 C ATOM 162 O ARG A 188 7.376 15.421 -19.169 1.00 53.67 O ANISOU 162 O ARG A 188 4716 9267 6408 -930 255 -1284 O ATOM 163 CB ARG A 188 5.946 17.106 -21.441 1.00 55.82 C ANISOU 163 CB ARG A 188 5576 8556 7076 -1362 477 -626 C ATOM 164 CG ARG A 188 6.351 17.472 -22.857 1.00 61.20 C ANISOU 164 CG ARG A 188 6248 9287 7718 -1678 597 -357 C ATOM 165 CD ARG A 188 6.321 18.986 -23.045 1.00 77.62 C ANISOU 165 CD ARG A 188 8592 10861 10040 -2092 713 -229 C ATOM 166 NE ARG A 188 5.126 19.437 -23.760 1.00 86.02 N ANISOU 166 NE ARG A 188 10000 11445 11239 -1931 734 179 N ATOM 167 CZ ARG A 188 4.429 20.531 -23.458 1.00 91.25 C ANISOU 167 CZ ARG A 188 11012 11474 12185 -1944 762 272 C ATOM 168 NH1 ARG A 188 4.776 21.284 -22.422 1.00 94.16 N ANISOU 168 NH1 ARG A 188 11453 11573 12752 -2146 781 -64 N ATOM 169 NH2 ARG A 188 3.363 20.860 -24.177 1.00 91.45 N ANISOU 169 NH2 ARG A 188 11301 11160 12285 -1719 765 670 N ATOM 170 N ASP A 189 5.153 15.237 -18.874 1.00 49.98 N ANISOU 170 N ASP A 189 4721 8130 6139 -503 221 -992 N ATOM 171 CA ASP A 189 5.234 15.170 -17.419 1.00 49.51 C ANISOU 171 CA ASP A 189 4583 8229 5999 -360 139 -1254 C ATOM 172 C ASP A 189 5.678 13.802 -16.926 1.00 47.40 C ANISOU 172 C ASP A 189 4117 8412 5481 -11 48 -1275 C ATOM 173 O ASP A 189 6.079 13.662 -15.772 1.00 48.35 O ANISOU 173 O ASP A 189 4089 8839 5445 106 -32 -1479 O ATOM 174 CB ASP A 189 3.892 15.530 -16.779 1.00 50.10 C ANISOU 174 CB ASP A 189 4912 7921 6204 -186 133 -1216 C ATOM 175 CG ASP A 189 3.840 15.194 -15.291 1.00 53.20 C ANISOU 175 CG ASP A 189 5205 8579 6429 30 50 -1437 C ATOM 176 OD1 ASP A 189 4.510 15.898 -14.506 1.00 56.16 O ANISOU 176 OD1 ASP A 189 5450 9122 6766 -156 30 -1770 O ATOM 177 OD2 ASP A 189 3.117 14.241 -14.910 1.00 54.81 O ANISOU 177 OD2 ASP A 189 5458 8843 6524 356 16 -1281 O ATOM 178 N MET A 190 5.527 12.786 -17.769 1.00 43.82 N ANISOU 178 N MET A 190 3685 7977 4988 183 58 -1060 N ATOM 179 CA MET A 190 5.768 11.406 -17.357 1.00 43.52 C ANISOU 179 CA MET A 190 3561 8203 4772 575 -13 -1025 C ATOM 180 C MET A 190 7.249 11.106 -17.199 1.00 46.34 C ANISOU 180 C MET A 190 3572 9108 4927 620 -69 -1225 C ATOM 181 O MET A 190 8.070 11.565 -17.990 1.00 47.32 O ANISOU 181 O MET A 190 3507 9428 5043 347 -19 -1324 O ATOM 182 CB MET A 190 5.182 10.437 -18.377 1.00 40.23 C ANISOU 182 CB MET A 190 3286 7593 4407 734 31 -806 C ATOM 183 CG MET A 190 3.710 10.639 -18.620 1.00 39.94 C ANISOU 183 CG MET A 190 3521 7128 4527 701 78 -620 C ATOM 184 SD MET A 190 3.103 9.568 -19.931 1.00 40.62 S ANISOU 184 SD MET A 190 3709 7080 4643 794 131 -452 S ATOM 185 CE MET A 190 1.372 10.059 -19.922 1.00 31.48 C ANISOU 185 CE MET A 190 2780 5562 3620 736 163 -284 C ATOM 186 N LYS A 191 7.574 10.262 -16.227 1.00 48.69 N ANISOU 186 N LYS A 191 3773 9692 5036 992 -169 -1251 N ATOM 187 CA LYS A 191 8.949 9.814 -16.060 1.00 53.02 C ANISOU 187 CA LYS A 191 3958 10833 5353 1161 -245 -1421 C ATOM 188 C LYS A 191 9.402 9.124 -17.342 1.00 52.35 C ANISOU 188 C LYS A 191 3801 10801 5289 1248 -190 -1371 C ATOM 189 O LYS A 191 10.493 9.388 -17.839 1.00 54.61 O ANISOU 189 O LYS A 191 3754 11528 5467 1096 -177 -1563 O ATOM 190 CB LYS A 191 9.081 8.883 -14.849 1.00 54.22 C ANISOU 190 CB LYS A 191 4076 11241 5285 1655 -368 -1355 C ATOM 191 N LYS A 192 8.489 8.376 -17.958 1.00 50.23 N ANISOU 191 N LYS A 192 3833 10091 5163 1408 -137 -1150 N ATOM 192 CA LYS A 192 8.758 7.730 -19.241 1.00 49.58 C ANISOU 192 CA LYS A 192 3710 10024 5104 1472 -72 -1147 C ATOM 193 C LYS A 192 9.401 8.711 -20.207 1.00 50.58 C ANISOU 193 C LYS A 192 3602 10405 5212 1024 10 -1276 C ATOM 194 O LYS A 192 10.069 8.305 -21.152 1.00 55.63 O ANISOU 194 O LYS A 192 4045 11327 5764 1060 56 -1366 O ATOM 195 CB LYS A 192 7.468 7.176 -19.862 1.00 47.04 C ANISOU 195 CB LYS A 192 3750 9161 4964 1506 -3 -944 C ATOM 196 N PHE A 193 9.143 9.998 -20.012 1.00 49.41 N ANISOU 196 N PHE A 193 3501 10120 5151 594 45 -1275 N ATOM 197 CA PHE A 193 9.515 11.005 -20.999 1.00 50.09 C ANISOU 197 CA PHE A 193 3481 10282 5267 103 156 -1292 C ATOM 198 C PHE A 193 10.364 12.094 -20.356 1.00 53.76 C ANISOU 198 C PHE A 193 3717 11022 5687 -273 156 -1512 C ATOM 199 O PHE A 193 10.481 13.200 -20.887 1.00 55.34 O ANISOU 199 O PHE A 193 3937 11112 5979 -773 263 -1491 O ATOM 200 CB PHE A 193 8.266 11.631 -21.622 1.00 47.37 C ANISOU 200 CB PHE A 193 3493 9378 5129 -110 232 -1034 C ATOM 201 CG PHE A 193 7.600 10.764 -22.651 1.00 44.24 C ANISOU 201 CG PHE A 193 3225 8849 4734 82 267 -872 C ATOM 202 CD1 PHE A 193 8.247 10.445 -23.831 1.00 46.54 C ANISOU 202 CD1 PHE A 193 3313 9482 4888 13 337 -911 C ATOM 203 CD2 PHE A 193 6.306 10.304 -22.456 1.00 41.07 C ANISOU 203 CD2 PHE A 193 3121 8032 4454 292 239 -717 C ATOM 204 CE1 PHE A 193 7.626 9.654 -24.782 1.00 47.67 C ANISOU 204 CE1 PHE A 193 3558 9541 5013 170 368 -831 C ATOM 205 CE2 PHE A 193 5.674 9.506 -23.398 1.00 40.85 C ANISOU 205 CE2 PHE A 193 3188 7913 4420 414 272 -628 C ATOM 206 CZ PHE A 193 6.327 9.197 -24.575 1.00 47.32 C ANISOU 206 CZ PHE A 193 3816 9059 5104 352 333 -698 C ATOM 207 N GLY A 194 10.887 11.799 -19.171 1.00 55.19 N ANISOU 207 N GLY A 194 3709 11534 5728 -44 38 -1712 N ATOM 208 CA GLY A 194 11.866 12.666 -18.530 1.00 60.85 C ANISOU 208 CA GLY A 194 4106 12679 6337 -389 21 -2019 C ATOM 209 C GLY A 194 11.223 13.603 -17.527 1.00 62.15 C ANISOU 209 C GLY A 194 4485 12485 6643 -593 1 -2101 C ATOM 210 O GLY A 194 11.909 14.197 -16.692 1.00 65.46 O ANISOU 210 O GLY A 194 4657 13259 6957 -812 -42 -2420 O ATOM 211 N GLY A 195 9.901 13.730 -17.605 1.00 58.73 N ANISOU 211 N GLY A 195 4482 11400 6431 -514 32 -1855 N ATOM 212 CA GLY A 195 9.173 14.707 -16.801 1.00 59.35 C ANISOU 212 CA GLY A 195 4792 11081 6678 -692 37 -1944 C ATOM 213 C GLY A 195 9.277 14.401 -15.319 1.00 61.57 C ANISOU 213 C GLY A 195 4935 11694 6763 -420 -95 -2163 C ATOM 214 O GLY A 195 9.797 13.349 -14.942 1.00 63.24 O ANISOU 214 O GLY A 195 4928 12378 6722 -34 -198 -2155 O ATOM 215 N PRO A 196 8.786 15.319 -14.467 1.00 62.34 N ANISOU 215 N PRO A 196 5164 11562 6961 -591 -93 -2360 N ATOM 216 CA PRO A 196 8.928 15.175 -13.018 1.00 63.49 C ANISOU 216 CA PRO A 196 5138 12119 6865 -391 -213 -2617 C ATOM 217 C PRO A 196 7.808 14.348 -12.387 1.00 61.25 C ANISOU 217 C PRO A 196 5078 11679 6514 97 -266 -2361 C ATOM 218 O PRO A 196 7.858 14.048 -11.193 1.00 64.04 O ANISOU 218 O PRO A 196 5300 12426 6607 330 -364 -2484 O ATOM 219 CB PRO A 196 8.868 16.619 -12.523 1.00 65.96 C ANISOU 219 CB PRO A 196 5510 12207 7346 -849 -155 -2996 C ATOM 220 CG PRO A 196 8.025 17.327 -13.532 1.00 64.45 C ANISOU 220 CG PRO A 196 5717 11229 7542 -1061 -15 -2764 C ATOM 221 CD PRO A 196 8.214 16.624 -14.847 1.00 62.65 C ANISOU 221 CD PRO A 196 5491 10985 7327 -998 28 -2390 C ATOM 222 N ASN A 197 6.781 14.037 -13.172 1.00 57.40 N ANISOU 222 N ASN A 197 4911 10660 6237 209 -192 -2016 N ATOM 223 CA ASN A 197 5.653 13.243 -12.699 1.00 53.64 C ANISOU 223 CA ASN A 197 4645 10018 5716 585 -209 -1760 C ATOM 224 C ASN A 197 4.820 13.947 -11.637 1.00 54.24 C ANISOU 224 C ASN A 197 4822 9992 5794 575 -206 -1934 C ATOM 225 O ASN A 197 4.541 13.389 -10.576 1.00 55.42 O ANISOU 225 O ASN A 197 4926 10432 5699 848 -265 -1912 O ATOM 226 CB ASN A 197 6.126 11.882 -12.191 1.00 53.95 C ANISOU 226 CB ASN A 197 4545 10490 5464 1002 -305 -1607 C ATOM 227 CG ASN A 197 4.983 10.904 -12.015 1.00 56.23 C ANISOU 227 CG ASN A 197 5101 10512 5754 1314 -280 -1258 C ATOM 228 OD1 ASN A 197 4.175 10.701 -12.924 1.00 65.12 O ANISOU 228 OD1 ASN A 197 6450 11197 7096 1270 -196 -1052 O ATOM 229 ND2 ASN A 197 4.877 10.330 -10.824 1.00 58.64 N ANISOU 229 ND2 ASN A 197 5370 11118 5792 1596 -344 -1190 N ATOM 230 N LYS A 198 4.404 15.172 -11.932 1.00 54.29 N ANISOU 230 N LYS A 198 4977 9582 6069 281 -128 -2095 N ATOM 231 CA LYS A 198 3.713 15.983 -10.941 1.00 55.57 C ANISOU 231 CA LYS A 198 5213 9649 6253 272 -116 -2364 C ATOM 232 C LYS A 198 2.259 16.190 -11.343 1.00 53.97 C ANISOU 232 C LYS A 198 5307 8923 6277 398 -38 -2147 C ATOM 233 O LYS A 198 1.413 16.525 -10.511 1.00 55.30 O ANISOU 233 O LYS A 198 5531 9066 6414 532 -25 -2293 O ATOM 234 CB LYS A 198 4.425 17.326 -10.755 1.00 59.29 C ANISOU 234 CB LYS A 198 5615 10051 6859 -142 -89 -2821 C ATOM 235 N ILE A 199 1.963 15.937 -12.615 1.00 51.82 N ANISOU 235 N ILE A 199 5181 8322 6185 379 11 -1812 N ATOM 236 CA ILE A 199 0.613 16.112 -13.129 1.00 47.57 C ANISOU 236 CA ILE A 199 4870 7372 5831 508 71 -1594 C ATOM 237 C ILE A 199 -0.136 14.791 -13.026 1.00 44.40 C ANISOU 237 C ILE A 199 4465 7151 5256 789 59 -1308 C ATOM 238 O ILE A 199 -1.271 14.751 -12.551 1.00 45.01 O ANISOU 238 O ILE A 199 4602 7192 5308 957 87 -1275 O ATOM 239 CB ILE A 199 0.624 16.592 -14.589 1.00 47.72 C ANISOU 239 CB ILE A 199 5038 6995 6099 329 128 -1376 C ATOM 240 CG1 ILE A 199 1.603 17.753 -14.770 1.00 53.03 C ANISOU 240 CG1 ILE A 199 5720 7495 6933 -40 165 -1605 C ATOM 241 CG2 ILE A 199 -0.763 17.025 -15.020 1.00 47.96 C ANISOU 241 CG2 ILE A 199 5271 6647 6304 493 171 -1202 C ATOM 242 CD1 ILE A 199 1.348 18.916 -13.846 1.00 56.36 C ANISOU 242 CD1 ILE A 199 6237 7684 7495 -104 187 -1976 C ATOM 243 N ARG A 200 0.494 13.714 -13.486 1.00 41.59 N ANISOU 243 N ARG A 200 4037 6979 4787 827 31 -1118 N ATOM 244 CA ARG A 200 -0.061 12.371 -13.332 1.00 37.85 C ANISOU 244 CA ARG A 200 3595 6620 4168 1053 34 -862 C ATOM 245 C ARG A 200 -1.413 12.218 -14.007 1.00 36.42 C ANISOU 245 C ARG A 200 3559 6163 4116 1083 101 -656 C ATOM 246 O ARG A 200 -2.404 11.866 -13.368 1.00 37.88 O ANISOU 246 O ARG A 200 3772 6407 4213 1201 134 -592 O ATOM 247 CB ARG A 200 -0.209 12.031 -11.852 1.00 40.52 C ANISOU 247 CB ARG A 200 3859 7287 4250 1225 4 -934 C ATOM 248 CG ARG A 200 1.095 11.724 -11.148 1.00 40.73 C ANISOU 248 CG ARG A 200 3699 7735 4044 1291 -86 -1057 C ATOM 249 CD ARG A 200 0.906 11.734 -9.649 1.00 42.32 C ANISOU 249 CD ARG A 200 3803 8319 3958 1432 -119 -1174 C ATOM 250 NE ARG A 200 2.144 12.145 -9.016 1.00 46.92 N ANISOU 250 NE ARG A 200 4143 9329 4354 1392 -217 -1473 N ATOM 251 CZ ARG A 200 2.256 12.453 -7.736 1.00 54.12 C ANISOU 251 CZ ARG A 200 4896 10682 4986 1454 -267 -1709 C ATOM 252 NH1 ARG A 200 1.182 12.421 -6.960 1.00 57.88 N ANISOU 252 NH1 ARG A 200 5443 11209 5339 1564 -214 -1665 N ATOM 253 NH2 ARG A 200 3.441 12.803 -7.248 1.00 56.19 N ANISOU 253 NH2 ARG A 200 4890 11400 5059 1390 -366 -2015 N ATOM 254 N GLN A 201 -1.457 12.484 -15.303 1.00 35.65 N ANISOU 254 N GLN A 201 3521 5837 4190 965 124 -554 N ATOM 255 CA GLN A 201 -2.607 12.109 -16.113 1.00 32.81 C ANISOU 255 CA GLN A 201 3240 5334 3894 999 169 -351 C ATOM 256 C GLN A 201 -2.149 11.423 -17.403 1.00 33.43 C ANISOU 256 C GLN A 201 3316 5393 3994 919 175 -214 C ATOM 257 O GLN A 201 -0.979 11.529 -17.786 1.00 34.33 O ANISOU 257 O GLN A 201 3367 5572 4106 827 155 -273 O ATOM 258 CB GLN A 201 -3.442 13.345 -16.435 1.00 33.83 C ANISOU 258 CB GLN A 201 3432 5242 4181 996 187 -370 C ATOM 259 CG GLN A 201 -3.720 14.247 -15.240 1.00 35.54 C ANISOU 259 CG GLN A 201 3649 5444 4410 1078 185 -605 C ATOM 260 CD GLN A 201 -4.757 13.668 -14.297 1.00 35.03 C ANISOU 260 CD GLN A 201 3525 5599 4185 1242 213 -610 C ATOM 261 OE1 GLN A 201 -5.344 12.622 -14.567 1.00 33.78 O ANISOU 261 OE1 GLN A 201 3348 5549 3938 1258 243 -417 O ATOM 262 NE2 GLN A 201 -4.938 14.311 -13.151 1.00 35.68 N ANISOU 262 NE2 GLN A 201 3567 5777 4212 1330 217 -856 N ATOM 263 N LYS A 202 -3.050 10.637 -17.988 1.00 31.19 N ANISOU 263 N LYS A 202 3067 5085 3700 943 210 -74 N ATOM 264 CA LYS A 202 -2.916 10.069 -19.331 1.00 31.14 C ANISOU 264 CA LYS A 202 3049 5078 3705 861 225 8 C ATOM 265 C LYS A 202 -2.599 11.084 -20.437 1.00 30.99 C ANISOU 265 C LYS A 202 3006 5019 3752 739 218 55 C ATOM 266 O LYS A 202 -3.226 12.147 -20.508 1.00 30.13 O ANISOU 266 O LYS A 202 2940 4786 3722 744 214 113 O ATOM 267 CB LYS A 202 -4.241 9.402 -19.706 1.00 32.28 C ANISOU 267 CB LYS A 202 3209 5226 3830 856 266 92 C ATOM 268 CG LYS A 202 -4.355 7.960 -19.301 1.00 33.75 C ANISOU 268 CG LYS A 202 3456 5405 3964 872 311 100 C ATOM 269 CD LYS A 202 -5.448 7.279 -20.100 1.00 36.80 C ANISOU 269 CD LYS A 202 3828 5810 4345 750 364 124 C ATOM 270 CE LYS A 202 -6.747 8.059 -20.050 1.00 32.40 C ANISOU 270 CE LYS A 202 3175 5367 3767 740 364 161 C ATOM 271 NZ LYS A 202 -7.872 7.131 -19.760 1.00 35.15 N ANISOU 271 NZ LYS A 202 3505 5787 4064 624 444 166 N ATOM 272 N CYS A 203 -1.859 10.623 -21.445 1.00 29.28 N ANISOU 272 N CYS A 203 2730 4911 3486 654 228 64 N ATOM 273 CA CYS A 203 -1.781 11.326 -22.727 1.00 29.76 C ANISOU 273 CA CYS A 203 2761 5004 3541 521 242 184 C ATOM 274 C CYS A 203 -3.111 11.956 -23.100 1.00 31.22 C ANISOU 274 C CYS A 203 2999 5105 3758 574 233 345 C ATOM 275 O CYS A 203 -4.155 11.303 -23.021 1.00 30.70 O ANISOU 275 O CYS A 203 2911 5101 3651 659 230 341 O ATOM 276 CB CYS A 203 -1.365 10.375 -23.847 1.00 29.08 C ANISOU 276 CB CYS A 203 2579 5136 3336 470 266 156 C ATOM 277 SG CYS A 203 -1.020 11.229 -25.390 1.00 33.27 S ANISOU 277 SG CYS A 203 3036 5833 3773 283 295 327 S ATOM 278 N ARG A 204 -3.061 13.164 -23.650 1.00 32.13 N ANISOU 278 N ARG A 204 3170 5110 3929 517 236 504 N ATOM 279 CA ARG A 204 -4.289 13.826 -24.059 1.00 34.36 C ANISOU 279 CA ARG A 204 3495 5332 4228 653 212 691 C ATOM 280 C ARG A 204 -5.001 13.083 -25.171 1.00 35.04 C ANISOU 280 C ARG A 204 3451 5732 4131 668 196 779 C ATOM 281 O ARG A 204 -6.219 13.176 -25.303 1.00 39.40 O ANISOU 281 O ARG A 204 3952 6377 4640 819 161 853 O ATOM 282 CB ARG A 204 -4.039 15.275 -24.462 1.00 36.45 C ANISOU 282 CB ARG A 204 3904 5339 4606 615 226 898 C ATOM 283 CG ARG A 204 -3.495 16.118 -23.328 1.00 41.15 C ANISOU 283 CG ARG A 204 4634 5594 5406 573 247 741 C ATOM 284 CD ARG A 204 -3.874 17.576 -23.471 1.00 47.80 C ANISOU 284 CD ARG A 204 5690 6036 6435 649 260 923 C ATOM 285 NE ARG A 204 -3.546 18.307 -22.252 1.00 50.51 N ANISOU 285 NE ARG A 204 6155 6052 6984 623 281 664 N ATOM 286 CZ ARG A 204 -4.435 18.925 -21.482 1.00 50.47 C ANISOU 286 CZ ARG A 204 6249 5811 7118 887 263 560 C ATOM 287 NH1 ARG A 204 -5.714 18.962 -21.833 1.00 45.87 N ANISOU 287 NH1 ARG A 204 5648 5284 6495 1213 221 729 N ATOM 288 NH2 ARG A 204 -4.038 19.511 -20.360 1.00 49.77 N ANISOU 288 NH2 ARG A 204 6242 5487 7183 831 286 248 N ATOM 289 N LEU A 205 -4.254 12.355 -25.989 1.00 36.06 N ANISOU 289 N LEU A 205 3489 6081 4130 516 221 732 N ATOM 290 CA LEU A 205 -4.878 11.625 -27.085 1.00 35.23 C ANISOU 290 CA LEU A 205 3239 6317 3828 497 209 740 C ATOM 291 C LEU A 205 -5.463 10.330 -26.561 1.00 34.44 C ANISOU 291 C LEU A 205 3092 6265 3730 505 220 499 C ATOM 292 O LEU A 205 -6.072 9.582 -27.320 1.00 36.40 O ANISOU 292 O LEU A 205 3216 6777 3837 446 219 415 O ATOM 293 CB LEU A 205 -3.878 11.299 -28.189 1.00 35.82 C ANISOU 293 CB LEU A 205 3219 6647 3743 336 246 724 C ATOM 294 CG LEU A 205 -2.976 12.413 -28.715 1.00 38.16 C ANISOU 294 CG LEU A 205 3560 6920 4018 218 278 957 C ATOM 295 CD1 LEU A 205 -2.183 11.892 -29.895 1.00 40.73 C ANISOU 295 CD1 LEU A 205 3718 7652 4106 62 326 907 C ATOM 296 CD2 LEU A 205 -3.785 13.628 -29.124 1.00 43.64 C ANISOU 296 CD2 LEU A 205 4348 7524 4710 316 244 1318 C ATOM 297 N ARG A 206 -5.269 10.056 -25.273 1.00 32.50 N ANISOU 297 N ARG A 206 2945 5778 3627 552 237 388 N ATOM 298 CA ARG A 206 -5.812 8.841 -24.692 1.00 32.37 C ANISOU 298 CA ARG A 206 2932 5746 3620 533 271 227 C ATOM 299 C ARG A 206 -6.991 9.084 -23.749 1.00 34.23 C ANISOU 299 C ARG A 206 3168 5944 3895 615 271 260 C ATOM 300 O ARG A 206 -7.727 8.158 -23.393 1.00 37.06 O ANISOU 300 O ARG A 206 3503 6347 4231 540 317 171 O ATOM 301 CB ARG A 206 -4.716 8.025 -24.022 1.00 32.30 C ANISOU 301 CB ARG A 206 3019 5576 3678 542 304 98 C ATOM 302 CG ARG A 206 -3.688 7.476 -24.999 1.00 31.58 C ANISOU 302 CG ARG A 206 2875 5601 3521 489 319 -12 C ATOM 303 CD ARG A 206 -2.668 6.607 -24.291 1.00 27.51 C ANISOU 303 CD ARG A 206 2439 4946 3066 590 339 -138 C ATOM 304 NE ARG A 206 -3.227 5.292 -24.007 1.00 41.03 N ANISOU 304 NE ARG A 206 4262 6498 4829 596 391 -236 N ATOM 305 CZ ARG A 206 -3.515 4.843 -22.789 1.00 46.93 C ANISOU 305 CZ ARG A 206 5149 7035 5646 667 412 -173 C ATOM 306 NH1 ARG A 206 -3.171 5.544 -21.720 1.00 43.98 N ANISOU 306 NH1 ARG A 206 4789 6646 5276 779 371 -69 N ATOM 307 NH2 ARG A 206 -4.106 3.665 -22.634 1.00 55.99 N ANISOU 307 NH2 ARG A 206 6428 7997 6850 605 485 -224 N ATOM 308 N GLN A 207 -7.256 10.345 -23.443 1.00 34.55 N ANISOU 308 N GLN A 207 3222 5920 3985 754 231 380 N ATOM 309 CA GLN A 207 -8.430 10.675 -22.655 1.00 35.94 C ANISOU 309 CA GLN A 207 3348 6140 4169 880 231 379 C ATOM 310 C GLN A 207 -9.717 10.258 -23.374 1.00 39.70 C ANISOU 310 C GLN A 207 3628 6953 4504 848 225 380 C ATOM 311 O GLN A 207 -9.945 10.649 -24.517 1.00 40.83 O ANISOU 311 O GLN A 207 3676 7286 4551 882 171 486 O ATOM 312 CB GLN A 207 -8.433 12.167 -22.365 1.00 36.99 C ANISOU 312 CB GLN A 207 3550 6099 4405 1078 189 473 C ATOM 313 CG GLN A 207 -7.210 12.627 -21.614 1.00 32.33 C ANISOU 313 CG GLN A 207 3113 5230 3942 1047 199 405 C ATOM 314 CD GLN A 207 -7.218 12.163 -20.179 1.00 36.12 C ANISOU 314 CD GLN A 207 3604 5700 4419 1071 232 242 C ATOM 315 OE1 GLN A 207 -8.253 11.743 -19.650 1.00 35.35 O ANISOU 315 OE1 GLN A 207 3421 5761 4248 1126 260 207 O ATOM 316 NE2 GLN A 207 -6.049 12.194 -19.547 1.00 37.70 N ANISOU 316 NE2 GLN A 207 3879 5788 4658 1016 231 149 N ATOM 317 N CYS A 208 -10.525 9.413 -22.737 1.00 41.52 N ANISOU 317 N CYS A 208 3780 7307 4690 749 285 266 N ATOM 318 CA CYS A 208 -11.716 8.875 -23.400 1.00 44.60 C ANISOU 318 CA CYS A 208 3938 8079 4929 631 293 202 C ATOM 319 C CYS A 208 -12.555 10.018 -23.954 1.00 46.50 C ANISOU 319 C CYS A 208 3995 8597 5075 890 200 325 C ATOM 320 O CYS A 208 -12.766 11.028 -23.280 1.00 46.93 O ANISOU 320 O CYS A 208 4083 8542 5204 1159 174 399 O ATOM 321 CB CYS A 208 -12.557 8.021 -22.440 1.00 46.65 C ANISOU 321 CB CYS A 208 4131 8433 5159 461 395 88 C ATOM 322 SG CYS A 208 -14.136 7.426 -23.124 1.00 51.01 S ANISOU 322 SG CYS A 208 4325 9548 5509 242 420 -51 S ATOM 323 N GLN A 209 -13.035 9.861 -25.182 1.00 48.44 N ANISOU 323 N GLN A 209 4045 9214 5147 841 147 336 N ATOM 324 CA GLN A 209 -13.701 10.965 -25.853 1.00 50.99 C ANISOU 324 CA GLN A 209 4212 9811 5352 1155 39 525 C ATOM 325 C GLN A 209 -15.083 11.187 -25.239 1.00 53.76 C ANISOU 325 C GLN A 209 4307 10499 5622 1327 32 456 C ATOM 326 O GLN A 209 -15.575 12.315 -25.188 1.00 55.95 O ANISOU 326 O GLN A 209 4535 10825 5900 1726 -43 608 O ATOM 327 CB GLN A 209 -13.762 10.726 -27.366 1.00 53.41 C ANISOU 327 CB GLN A 209 4349 10520 5425 1070 -28 570 C ATOM 328 N LEU A 210 -15.586 10.156 -24.567 1.00 54.73 N ANISOU 328 N LEU A 210 4318 10760 5717 1038 133 231 N ATOM 329 CA LEU A 210 -16.910 10.197 -23.948 1.00 56.87 C ANISOU 329 CA LEU A 210 4286 11454 5869 1112 160 124 C ATOM 330 C LEU A 210 -16.879 10.567 -22.464 1.00 56.41 C ANISOU 330 C LEU A 210 4353 11132 5948 1249 235 96 C ATOM 331 O LEU A 210 -17.603 11.462 -22.017 1.00 56.81 O ANISOU 331 O LEU A 210 4251 11367 5965 1612 200 101 O ATOM 332 CB LEU A 210 -17.605 8.850 -24.124 1.00 58.02 C ANISOU 332 CB LEU A 210 4197 11982 5866 638 253 -110 C ATOM 333 CG LEU A 210 -18.073 8.507 -25.540 1.00 63.91 C ANISOU 333 CG LEU A 210 4660 13239 6383 503 174 -193 C ATOM 334 CD1 LEU A 210 -19.250 7.542 -25.463 1.00 62.31 C ANISOU 334 CD1 LEU A 210 4092 13580 6003 101 264 -472 C ATOM 335 CD2 LEU A 210 -18.456 9.770 -26.308 1.00 64.34 C ANISOU 335 CD2 LEU A 210 4533 13627 6287 1011 0 24 C ATOM 336 N ARG A 211 -16.028 9.882 -21.706 1.00 54.49 N ANISOU 336 N ARG A 211 4378 10490 5838 996 334 57 N ATOM 337 CA ARG A 211 -16.129 9.874 -20.247 1.00 54.78 C ANISOU 337 CA ARG A 211 4467 10436 5909 1013 430 -4 C ATOM 338 C ARG A 211 -15.149 10.812 -19.541 1.00 53.52 C ANISOU 338 C ARG A 211 4584 9828 5923 1287 393 49 C ATOM 339 O ARG A 211 -15.246 11.011 -18.332 1.00 56.90 O ANISOU 339 O ARG A 211 5026 10249 6345 1368 454 -30 O ATOM 340 CB ARG A 211 -15.960 8.451 -19.703 1.00 54.05 C ANISOU 340 CB ARG A 211 4472 10261 5802 565 575 -55 C ATOM 341 CG ARG A 211 -17.088 7.482 -20.059 1.00 59.24 C ANISOU 341 CG ARG A 211 4849 11362 6299 195 664 -173 C ATOM 342 CD ARG A 211 -17.004 6.217 -19.198 1.00 68.11 C ANISOU 342 CD ARG A 211 6131 12309 7437 -223 843 -173 C ATOM 343 NE ARG A 211 -18.279 5.507 -19.082 1.00 74.16 N ANISOU 343 NE ARG A 211 6596 13545 8035 -600 975 -291 N ATOM 344 CZ ARG A 211 -18.921 4.964 -20.117 1.00 78.67 C ANISOU 344 CZ ARG A 211 6942 14420 8528 -896 977 -450 C ATOM 345 NH1 ARG A 211 -18.452 5.122 -21.358 1.00 84.51 N ANISOU 345 NH1 ARG A 211 7708 15089 9312 -799 842 -495 N ATOM 346 NH2 ARG A 211 -20.060 4.317 -19.926 1.00 85.28 N ANISOU 346 NH2 ARG A 211 7484 15709 9208 -1303 1114 -584 N ATOM 347 N ALA A 212 -14.200 11.377 -20.280 1.00 52.67 N ANISOU 347 N ALA A 212 4676 9390 5947 1391 305 161 N ATOM 348 CA ALA A 212 -13.115 12.148 -19.679 1.00 50.81 C ANISOU 348 CA ALA A 212 4705 8714 5885 1530 285 173 C ATOM 349 C ALA A 212 -13.566 13.522 -19.197 1.00 53.75 C ANISOU 349 C ALA A 212 5064 9024 6334 1920 246 128 C ATOM 350 O ALA A 212 -14.564 14.059 -19.675 1.00 57.63 O ANISOU 350 O ALA A 212 5373 9759 6766 2174 198 167 O ATOM 351 CB ALA A 212 -11.976 12.292 -20.653 1.00 49.76 C ANISOU 351 CB ALA A 212 4759 8296 5851 1452 230 298 C ATOM 352 N ARG A 213 -12.814 14.098 -18.265 1.00 53.86 N ANISOU 352 N ARG A 213 5266 8723 6476 1989 261 22 N ATOM 353 CA ARG A 213 -12.961 15.509 -17.935 1.00 56.97 C ANISOU 353 CA ARG A 213 5741 8886 7019 2342 226 -58 C ATOM 354 C ARG A 213 -12.692 16.368 -19.166 1.00 57.80 C ANISOU 354 C ARG A 213 5995 8700 7268 2479 146 170 C ATOM 355 O ARG A 213 -11.674 16.200 -19.839 1.00 56.38 O ANISOU 355 O ARG A 213 5972 8303 7145 2246 132 309 O ATOM 356 CB ARG A 213 -12.008 15.896 -16.804 1.00 57.31 C ANISOU 356 CB ARG A 213 5965 8642 7168 2294 258 -262 C ATOM 357 CG ARG A 213 -12.189 15.076 -15.541 1.00 62.37 C ANISOU 357 CG ARG A 213 6476 9606 7618 2176 336 -430 C ATOM 358 CD ARG A 213 -11.587 15.760 -14.321 1.00 70.98 C ANISOU 358 CD ARG A 213 7662 10552 8755 2253 353 -703 C ATOM 359 NE ARG A 213 -12.027 15.111 -13.087 1.00 79.99 N ANISOU 359 NE ARG A 213 8632 12116 9645 2216 432 -838 N ATOM 360 CZ ARG A 213 -11.366 15.149 -11.933 1.00 83.33 C ANISOU 360 CZ ARG A 213 9088 12600 9975 2172 453 -1032 C ATOM 361 NH1 ARG A 213 -10.213 15.801 -11.843 1.00 85.40 N ANISOU 361 NH1 ARG A 213 9527 12529 10392 2131 398 -1164 N ATOM 362 NH2 ARG A 213 -11.858 14.528 -10.868 1.00 82.47 N ANISOU 362 NH2 ARG A 213 8811 12939 9586 2142 535 -1091 N ATOM 363 N GLU A 214 -13.627 17.254 -19.487 1.00 61.52 N ANISOU 363 N GLU A 214 6398 9208 7767 2875 97 230 N ATOM 364 CA GLU A 214 -13.517 18.041 -20.707 1.00 64.10 C ANISOU 364 CA GLU A 214 6867 9304 8186 3047 22 535 C ATOM 365 C GLU A 214 -12.095 18.570 -20.830 1.00 63.35 C ANISOU 365 C GLU A 214 7123 8635 8312 2826 45 606 C ATOM 366 O GLU A 214 -11.426 18.361 -21.845 1.00 63.05 O ANISOU 366 O GLU A 214 7161 8554 8240 2606 28 847 O ATOM 367 CB GLU A 214 -14.524 19.196 -20.707 1.00 69.89 C ANISOU 367 CB GLU A 214 7580 9979 8998 3611 -28 570 C ATOM 368 N SER A 215 -11.588 19.126 -19.736 1.00 63.32 N ANISOU 368 N SER A 215 7284 8283 8492 2822 94 345 N ATOM 369 CA SER A 215 -10.348 19.887 -19.782 1.00 64.85 C ANISOU 369 CA SER A 215 7796 7923 8923 2627 122 360 C ATOM 370 C SER A 215 -9.104 19.002 -19.834 1.00 61.17 C ANISOU 370 C SER A 215 7321 7545 8376 2157 150 337 C ATOM 371 O SER A 215 -7.981 19.506 -19.856 1.00 62.57 O ANISOU 371 O SER A 215 7692 7378 8705 1920 181 316 O ATOM 372 CB SER A 215 -10.271 20.856 -18.601 1.00 67.57 C ANISOU 372 CB SER A 215 8296 7891 9488 2780 163 14 C ATOM 373 OG SER A 215 -9.780 20.209 -17.442 1.00 66.93 O ANISOU 373 OG SER A 215 8100 8027 9302 2553 200 -325 O ATOM 374 N TYR A 216 -9.304 17.688 -19.878 1.00 58.01 N ANISOU 374 N TYR A 216 6694 7604 7742 2022 146 331 N ATOM 375 CA TYR A 216 -8.207 16.763 -20.145 1.00 55.23 C ANISOU 375 CA TYR A 216 6328 7351 7306 1666 162 349 C ATOM 376 C TYR A 216 -8.005 16.514 -21.637 1.00 56.54 C ANISOU 376 C TYR A 216 6479 7612 7390 1553 140 639 C ATOM 377 O TYR A 216 -6.879 16.308 -22.084 1.00 55.70 O ANISOU 377 O TYR A 216 6426 7456 7282 1296 160 681 O ATOM 378 CB TYR A 216 -8.421 15.440 -19.419 1.00 51.83 C ANISOU 378 CB TYR A 216 5725 7272 6696 1576 185 199 C ATOM 379 CG TYR A 216 -8.209 15.513 -17.926 1.00 50.98 C ANISOU 379 CG TYR A 216 5625 7152 6594 1602 215 -70 C ATOM 380 CD1 TYR A 216 -7.712 16.660 -17.325 1.00 48.89 C ANISOU 380 CD1 TYR A 216 5497 6584 6496 1652 216 -246 C ATOM 381 CD2 TYR A 216 -8.495 14.422 -17.116 1.00 51.32 C ANISOU 381 CD2 TYR A 216 5543 7496 6460 1552 250 -149 C ATOM 382 CE1 TYR A 216 -7.534 16.725 -15.954 1.00 51.82 C ANISOU 382 CE1 TYR A 216 5833 7037 6819 1675 236 -539 C ATOM 383 CE2 TYR A 216 -8.298 14.469 -15.747 1.00 50.35 C ANISOU 383 CE2 TYR A 216 5404 7452 6273 1585 275 -363 C ATOM 384 CZ TYR A 216 -7.801 15.616 -15.174 1.00 52.07 C ANISOU 384 CZ TYR A 216 5714 7451 6621 1652 260 -578 C ATOM 385 OH TYR A 216 -7.634 15.664 -13.808 1.00 54.25 O ANISOU 385 OH TYR A 216 5934 7896 6782 1687 279 -836 O ATOM 386 N LYS A 217 -9.088 16.600 -22.407 1.00 60.29 N ANISOU 386 N LYS A 217 6851 8287 7769 1762 96 824 N ATOM 387 CA LYS A 217 -9.062 16.346 -23.851 1.00 63.29 C ANISOU 387 CA LYS A 217 7166 8884 7997 1685 65 1088 C ATOM 388 C LYS A 217 -8.171 17.312 -24.659 1.00 67.78 C ANISOU 388 C LYS A 217 7951 9140 8663 1599 78 1356 C ATOM 389 O LYS A 217 -7.797 18.378 -24.165 1.00 71.59 O ANISOU 389 O LYS A 217 8664 9160 9378 1645 107 1360 O ATOM 390 CB LYS A 217 -10.490 16.337 -24.402 1.00 64.38 C ANISOU 390 CB LYS A 217 7101 9387 7972 1966 -1 1208 C ATOM 391 CG LYS A 217 -11.433 15.397 -23.664 1.00 61.04 C ANISOU 391 CG LYS A 217 6436 9323 7435 1975 12 955 C ATOM 392 CD LYS A 217 -12.889 15.762 -23.929 1.00 62.83 C ANISOU 392 CD LYS A 217 6438 9900 7536 2323 -52 1025 C ATOM 393 CE LYS A 217 -13.824 14.597 -23.643 1.00 61.74 C ANISOU 393 CE LYS A 217 5981 10279 7199 2185 -25 811 C ATOM 394 NZ LYS A 217 -15.233 15.034 -23.427 1.00 60.69 N ANISOU 394 NZ LYS A 217 5583 10515 6961 2541 -67 776 N ATOM 395 N TYR A 218 -7.822 16.932 -25.892 1.00 68.38 N ANISOU 395 N TYR A 218 7952 9477 8552 1441 72 1558 N ATOM 396 CA TYR A 218 -6.704 17.554 -26.619 1.00 69.14 C ANISOU 396 CA TYR A 218 8212 9374 8682 1218 122 1785 C ATOM 397 C TYR A 218 -6.833 19.072 -26.727 1.00 73.05 C ANISOU 397 C TYR A 218 8992 9385 9381 1388 133 2081 C ATOM 398 O TYR A 218 -7.576 19.583 -27.562 1.00 75.31 O ANISOU 398 O TYR A 218 9300 9746 9569 1645 83 2431 O ATOM 399 CB TYR A 218 -6.532 16.939 -28.013 1.00 68.37 C ANISOU 399 CB TYR A 218 7946 9749 8284 1079 113 1968 C TER 400 TYR A 218 ATOM 401 O5' DG B 1 9.138 -4.317 -1.522 1.00 89.21 O ANISOU 401 O5' DG B 1 15461 7280 11155 4368 -2366 1401 O ATOM 402 C5' DG B 1 8.558 -3.033 -1.658 1.00 80.66 C ANISOU 402 C5' DG B 1 14049 6501 10097 3994 -2343 1277 C ATOM 403 C4' DG B 1 8.679 -2.591 -3.100 1.00 77.89 C ANISOU 403 C4' DG B 1 13016 6430 10149 3940 -1914 1265 C ATOM 404 O4' DG B 1 7.715 -3.296 -3.921 1.00 75.00 O ANISOU 404 O4' DG B 1 12987 6069 9442 3772 -1314 1131 O ATOM 405 C3' DG B 1 8.391 -1.122 -3.347 1.00 74.19 C ANISOU 405 C3' DG B 1 12055 6264 9868 3641 -1957 1199 C ATOM 406 O3' DG B 1 9.050 -0.766 -4.540 1.00 78.85 O ANISOU 406 O3' DG B 1 11947 7040 10972 3761 -1693 1306 O ATOM 407 C2' DG B 1 6.883 -1.136 -3.555 1.00 65.41 C ANISOU 407 C2' DG B 1 11369 5253 8231 3265 -1529 999 C ATOM 408 C1' DG B 1 6.727 -2.398 -4.392 1.00 66.12 C ANISOU 408 C1' DG B 1 11702 5229 8192 3381 -1072 980 C ATOM 409 N9 DG B 1 5.440 -3.064 -4.213 1.00 65.12 N ANISOU 409 N9 DG B 1 12196 4999 7547 3088 -781 821 N ATOM 410 C8 DG B 1 4.849 -3.376 -3.011 1.00 64.97 C ANISOU 410 C8 DG B 1 12769 4783 7134 2951 -911 806 C ATOM 411 N7 DG B 1 3.725 -4.026 -3.135 1.00 63.04 N ANISOU 411 N7 DG B 1 12939 4454 6558 2664 -534 689 N ATOM 412 C5 DG B 1 3.578 -4.185 -4.507 1.00 61.63 C ANISOU 412 C5 DG B 1 12464 4416 6536 2622 -216 586 C ATOM 413 C6 DG B 1 2.543 -4.818 -5.233 1.00 61.07 C ANISOU 413 C6 DG B 1 12611 4313 6279 2336 164 411 C ATOM 414 O6 DG B 1 1.551 -5.396 -4.763 1.00 64.21 O ANISOU 414 O6 DG B 1 13449 4540 6408 2027 332 342 O ATOM 415 N1 DG B 1 2.759 -4.759 -6.612 1.00 57.15 N ANISOU 415 N1 DG B 1 11785 3980 5950 2437 345 327 N ATOM 416 C2 DG B 1 3.846 -4.156 -7.205 1.00 56.88 C ANISOU 416 C2 DG B 1 11247 4120 6243 2776 272 445 C ATOM 417 N2 DG B 1 3.896 -4.189 -8.544 1.00 54.14 N ANISOU 417 N2 DG B 1 10722 3904 5947 2872 541 366 N ATOM 418 N3 DG B 1 4.812 -3.539 -6.534 1.00 58.70 N ANISOU 418 N3 DG B 1 11172 4385 6746 2998 -47 633 N ATOM 419 C4 DG B 1 4.624 -3.602 -5.190 1.00 62.18 C ANISOU 419 C4 DG B 1 11956 4662 7006 2907 -326 674 C ATOM 420 P DC B 2 9.055 0.756 -5.028 1.00 84.63 P ANISOU 420 P DC B 2 12048 8046 12060 3528 -1695 1321 P ATOM 421 OP1 DC B 2 10.468 1.191 -4.951 1.00 89.53 O ANISOU 421 OP1 DC B 2 11981 8632 13405 3756 -2055 1543 O ATOM 422 OP2 DC B 2 7.986 1.506 -4.323 1.00 80.75 O ANISOU 422 OP2 DC B 2 11903 7611 11168 3172 -1852 1136 O ATOM 423 O5' DC B 2 8.618 0.624 -6.563 1.00 78.52 O ANISOU 423 O5' DC B 2 11129 7475 11231 3510 -997 1301 O ATOM 424 C5' DC B 2 8.730 -0.644 -7.198 1.00 78.63 C ANISOU 424 C5' DC B 2 11408 7376 11091 3769 -624 1301 C ATOM 425 C4' DC B 2 8.224 -0.543 -8.620 1.00 73.76 C ANISOU 425 C4' DC B 2 10720 6961 10343 3726 -52 1239 C ATOM 426 O4' DC B 2 6.890 -1.102 -8.687 1.00 69.67 O ANISOU 426 O4' DC B 2 10818 6420 9233 3461 116 982 O ATOM 427 C3' DC B 2 8.093 0.894 -9.098 1.00 72.15 C ANISOU 427 C3' DC B 2 10019 7028 10367 3523 -1 1297 C ATOM 428 O3' DC B 2 8.252 0.935 -10.506 1.00 74.48 O ANISOU 428 O3' DC B 2 10117 7470 10713 3693 522 1373 O ATOM 429 C2' DC B 2 6.683 1.264 -8.645 1.00 65.70 C ANISOU 429 C2' DC B 2 9598 6292 9071 3118 -101 1057 C ATOM 430 C1' DC B 2 5.937 -0.059 -8.786 1.00 64.16 C ANISOU 430 C1' DC B 2 10024 5963 8392 3104 117 872 C ATOM 431 N1 DC B 2 4.849 -0.296 -7.784 1.00 59.12 N ANISOU 431 N1 DC B 2 9875 5237 7350 2791 -53 693 N ATOM 432 C2 DC B 2 3.684 -0.951 -8.202 1.00 56.45 C ANISOU 432 C2 DC B 2 9938 4896 6615 2569 213 487 C ATOM 433 O2 DC B 2 3.593 -1.285 -9.390 1.00 58.57 O ANISOU 433 O2 DC B 2 10196 5230 6828 2651 505 423 O ATOM 434 N3 DC B 2 2.701 -1.211 -7.302 1.00 50.07 N ANISOU 434 N3 DC B 2 9523 3997 5505 2278 148 368 N ATOM 435 C4 DC B 2 2.846 -0.809 -6.040 1.00 52.93 C ANISOU 435 C4 DC B 2 9974 4281 5857 2252 -151 438 C ATOM 436 N4 DC B 2 1.851 -1.079 -5.189 1.00 53.12 N ANISOU 436 N4 DC B 2 10421 4214 5550 1995 -110 348 N ATOM 437 C5 DC B 2 4.017 -0.120 -5.594 1.00 53.57 C ANISOU 437 C5 DC B 2 9722 4355 6276 2487 -507 606 C ATOM 438 C6 DC B 2 4.992 0.101 -6.485 1.00 56.31 C ANISOU 438 C6 DC B 2 9591 4787 7018 2728 -456 734 C ATOM 439 P DC B 3 7.979 2.282 -11.322 1.00 76.82 P ANISOU 439 P DC B 3 10030 8031 11128 3528 728 1452 P ATOM 440 OP1 DC B 3 8.995 2.306 -12.397 1.00 81.59 O ANISOU 440 OP1 DC B 3 10225 8682 12094 3881 1179 1715 O ATOM 441 OP2 DC B 3 7.839 3.410 -10.376 1.00 74.03 O ANISOU 441 OP2 DC B 3 9445 7698 10984 3231 274 1458 O ATOM 442 O5' DC B 3 6.545 2.031 -11.977 1.00 71.24 O ANISOU 442 O5' DC B 3 9849 7450 9767 3335 955 1175 O ATOM 443 C5' DC B 3 6.334 0.810 -12.671 1.00 71.18 C ANISOU 443 C5' DC B 3 10294 7353 9398 3522 1251 1039 C ATOM 444 C4' DC B 3 4.997 0.886 -13.375 1.00 68.01 C ANISOU 444 C4' DC B 3 10240 7107 8495 3290 1370 791 C ATOM 445 O4' DC B 3 3.943 0.693 -12.399 1.00 62.27 O ANISOU 445 O4' DC B 3 9798 6329 7531 2917 1062 572 O ATOM 446 C3' DC B 3 4.736 2.252 -13.989 1.00 66.47 C ANISOU 446 C3' DC B 3 9701 7180 8374 3199 1452 893 C ATOM 447 O3' DC B 3 3.912 2.090 -15.137 1.00 72.67 O ANISOU 447 O3' DC B 3 10805 8096 8709 3213 1672 726 O ATOM 448 C2' DC B 3 4.024 2.972 -12.849 1.00 59.62 C ANISOU 448 C2' DC B 3 8755 6355 7544 2828 1056 805 C ATOM 449 C1' DC B 3 3.130 1.844 -12.359 1.00 55.20 C ANISOU 449 C1' DC B 3 8708 5667 6599 2648 955 530 C ATOM 450 N1 DC B 3 2.626 1.982 -10.973 1.00 52.65 N ANISOU 450 N1 DC B 3 8476 5269 6261 2376 636 453 N ATOM 451 C2 DC B 3 1.368 1.452 -10.669 1.00 52.26 C ANISOU 451 C2 DC B 3 8784 5205 5867 2089 622 217 C ATOM 452 O2 DC B 3 0.726 0.920 -11.582 1.00 54.85 O ANISOU 452 O2 DC B 3 9301 5582 5957 2040 790 58 O ATOM 453 N3 DC B 3 0.894 1.530 -9.400 1.00 47.62 N ANISOU 453 N3 DC B 3 8336 4536 5220 1878 431 173 N ATOM 454 C4 DC B 3 1.647 2.097 -8.453 1.00 50.11 C ANISOU 454 C4 DC B 3 8518 4772 5750 1965 180 317 C ATOM 455 N4 DC B 3 1.166 2.144 -7.204 1.00 44.26 N ANISOU 455 N4 DC B 3 8029 3932 4854 1805 12 264 N ATOM 456 C5 DC B 3 2.927 2.661 -8.752 1.00 52.52 C ANISOU 456 C5 DC B 3 8422 5082 6450 2219 92 527 C ATOM 457 C6 DC B 3 3.386 2.573 -10.008 1.00 52.78 C ANISOU 457 C6 DC B 3 8252 5205 6596 2412 364 609 C ATOM 458 P DA B 4 3.779 3.263 -16.222 1.00 77.96 P ANISOU 458 P DA B 4 11265 9015 9340 3293 1892 872 P ATOM 459 OP1 DA B 4 4.842 3.081 -17.231 1.00 78.57 O ANISOU 459 OP1 DA B 4 11289 9065 9500 3727 2359 1107 O ATOM 460 OP2 DA B 4 3.650 4.553 -15.504 1.00 74.54 O ANISOU 460 OP2 DA B 4 10421 8676 9226 3051 1648 993 O ATOM 461 O5' DA B 4 2.362 2.938 -16.893 1.00 77.99 O ANISOU 461 O5' DA B 4 11729 9137 8765 3138 1812 540 O ATOM 462 C5' DA B 4 1.507 1.969 -16.289 1.00 73.77 C ANISOU 462 C5' DA B 4 11531 8484 8016 2871 1565 229 C ATOM 463 C4' DA B 4 0.091 2.478 -16.071 1.00 65.11 C ANISOU 463 C4' DA B 4 10415 7565 6756 2504 1293 26 C ATOM 464 O4' DA B 4 -0.166 2.736 -14.668 1.00 61.38 O ANISOU 464 O4' DA B 4 9757 7047 6516 2222 1071 28 O ATOM 465 C3' DA B 4 -0.307 3.763 -16.782 1.00 64.70 C ANISOU 465 C3' DA B 4 10137 7787 6660 2546 1302 122 C ATOM 466 O3' DA B 4 -1.692 3.657 -17.078 1.00 61.45 O ANISOU 466 O3' DA B 4 9880 7512 5957 2319 1083 -158 O ATOM 467 C2' DA B 4 -0.058 4.817 -15.708 1.00 60.44 C ANISOU 467 C2' DA B 4 9175 7271 6519 2409 1176 305 C ATOM 468 C1' DA B 4 -0.595 4.074 -14.493 1.00 57.24 C ANISOU 468 C1' DA B 4 8904 6731 6115 2119 966 109 C ATOM 469 N9 DA B 4 -0.070 4.535 -13.212 1.00 50.97 N ANISOU 469 N9 DA B 4 7903 5827 5636 2043 822 240 N ATOM 470 C8 DA B 4 1.128 5.147 -12.963 1.00 52.54 C ANISOU 470 C8 DA B 4 7814 5949 6201 2209 821 498 C ATOM 471 N7 DA B 4 1.372 5.359 -11.690 1.00 49.47 N ANISOU 471 N7 DA B 4 7365 5430 6003 2095 574 520 N ATOM 472 C5 DA B 4 0.250 4.845 -11.060 1.00 49.80 C ANISOU 472 C5 DA B 4 7699 5469 5753 1860 493 288 C ATOM 473 C6 DA B 4 -0.124 4.764 -9.704 1.00 48.16 C ANISOU 473 C6 DA B 4 7661 5145 5491 1686 306 208 C ATOM 474 N6 DA B 4 0.634 5.234 -8.705 1.00 46.06 N ANISOU 474 N6 DA B 4 7336 4733 5432 1738 62 318 N ATOM 475 N1 DA B 4 -1.314 4.194 -9.418 1.00 46.36 N ANISOU 475 N1 DA B 4 7679 4944 4992 1461 375 15 N ATOM 476 C2 DA B 4 -2.069 3.734 -10.423 1.00 47.86 C ANISOU 476 C2 DA B 4 7905 5260 5017 1385 523 -120 C ATOM 477 N3 DA B 4 -1.825 3.749 -11.732 1.00 52.10 N ANISOU 477 N3 DA B 4 8360 5907 5528 1546 622 -103 N ATOM 478 C4 DA B 4 -0.638 4.322 -11.982 1.00 50.24 C ANISOU 478 C4 DA B 4 7918 5651 5523 1799 644 121 C ATOM 479 P DT B 5 -2.425 4.784 -17.941 1.00 62.36 P ANISOU 479 P DT B 5 9874 7911 5911 2379 1004 -134 P ATOM 480 OP1 DT B 5 -3.353 4.097 -18.867 1.00 63.01 O ANISOU 480 OP1 DT B 5 10308 8052 5580 2350 837 -433 O ATOM 481 OP2 DT B 5 -1.418 5.764 -18.431 1.00 52.94 O ANISOU 481 OP2 DT B 5 8498 6757 4860 2686 1270 220 O ATOM 482 O5' DT B 5 -3.295 5.482 -16.802 1.00 55.30 O ANISOU 482 O5' DT B 5 8643 7113 5256 2052 769 -185 O ATOM 483 C5' DT B 5 -4.334 4.755 -16.183 1.00 47.84 C ANISOU 483 C5' DT B 5 7757 6146 4275 1718 585 -455 C ATOM 484 C4' DT B 5 -4.932 5.650 -15.125 1.00 43.15 C ANISOU 484 C4' DT B 5 6835 5648 3914 1531 492 -419 C ATOM 485 O4' DT B 5 -3.976 5.829 -14.049 1.00 43.48 O ANISOU 485 O4' DT B 5 6819 5508 4194 1551 571 -244 O ATOM 486 C3' DT B 5 -5.246 7.067 -15.593 1.00 39.41 C ANISOU 486 C3' DT B 5 6105 5397 3473 1681 437 -296 C ATOM 487 O3' DT B 5 -6.454 7.414 -14.973 1.00 38.27 O ANISOU 487 O3' DT B 5 5750 5384 3405 1470 303 -435 O ATOM 488 C2' DT B 5 -4.134 7.904 -14.960 1.00 35.78 C ANISOU 488 C2' DT B 5 5497 4810 3288 1803 546 -26 C ATOM 489 C1' DT B 5 -4.094 7.171 -13.634 1.00 35.12 C ANISOU 489 C1' DT B 5 5489 4549 3308 1580 515 -121 C ATOM 490 N1 DT B 5 -2.986 7.509 -12.711 1.00 39.74 N ANISOU 490 N1 DT B 5 6016 4934 4148 1634 511 59 N ATOM 491 C2 DT B 5 -3.190 7.326 -11.358 1.00 42.07 C ANISOU 491 C2 DT B 5 6395 5105 4486 1466 421 -15 C ATOM 492 O2 DT B 5 -4.236 6.923 -10.892 1.00 47.89 O ANISOU 492 O2 DT B 5 7218 5891 5088 1272 432 -187 O ATOM 493 N3 DT B 5 -2.126 7.635 -10.556 1.00 41.03 N ANISOU 493 N3 DT B 5 6244 4775 4569 1538 317 130 N ATOM 494 C4 DT B 5 -0.891 8.072 -10.986 1.00 41.39 C ANISOU 494 C4 DT B 5 6102 4742 4884 1719 312 351 C ATOM 495 O4 DT B 5 -0.010 8.370 -10.192 1.00 42.60 O ANISOU 495 O4 DT B 5 6186 4711 5288 1745 137 458 O ATOM 496 C5 DT B 5 -0.735 8.229 -12.409 1.00 39.52 C ANISOU 496 C5 DT B 5 5750 4643 4621 1880 514 456 C ATOM 497 C7 DT B 5 0.562 8.728 -12.969 1.00 43.86 C ANISOU 497 C7 DT B 5 6054 5113 5499 2079 630 748 C ATOM 498 C6 DT B 5 -1.784 7.970 -13.200 1.00 40.43 C ANISOU 498 C6 DT B 5 5979 4952 4431 1850 591 301 C ATOM 499 P DC B 6 -7.775 7.727 -15.816 1.00 40.14 P ANISOU 499 P DC B 6 5840 5895 3517 1460 92 -593 P ATOM 500 OP1 DC B 6 -8.024 6.542 -16.660 1.00 36.66 O ANISOU 500 OP1 DC B 6 5657 5429 2843 1383 -23 -802 O ATOM 501 OP2 DC B 6 -7.680 9.080 -16.408 1.00 36.77 O ANISOU 501 OP2 DC B 6 5284 5607 3081 1746 66 -402 O ATOM 502 O5' DC B 6 -8.851 7.871 -14.622 1.00 39.83 O ANISOU 502 O5' DC B 6 5516 5916 3701 1191 80 -705 O ATOM 503 C5' DC B 6 -9.181 6.739 -13.815 1.00 41.20 C ANISOU 503 C5' DC B 6 5768 5948 3937 871 159 -848 C ATOM 504 C4' DC B 6 -9.140 7.072 -12.339 1.00 39.03 C ANISOU 504 C4' DC B 6 5445 5567 3817 788 344 -765 C ATOM 505 O4' DC B 6 -7.783 7.359 -11.960 1.00 38.92 O ANISOU 505 O4' DC B 6 5632 5358 3796 969 402 -582 O ATOM 506 C3' DC B 6 -9.910 8.321 -11.942 1.00 38.86 C ANISOU 506 C3' DC B 6 5108 5732 3926 884 354 -733 C ATOM 507 O3' DC B 6 -11.203 7.878 -11.593 1.00 45.74 O ANISOU 507 O3' DC B 6 5745 6719 4917 635 416 -882 O ATOM 508 C2' DC B 6 -9.159 8.840 -10.721 1.00 37.90 C ANISOU 508 C2' DC B 6 5153 5410 3838 963 485 -603 C ATOM 509 C1' DC B 6 -7.823 8.099 -10.758 1.00 37.01 C ANISOU 509 C1' DC B 6 5351 5058 3653 980 471 -519 C ATOM 510 N1 DC B 6 -6.604 8.970 -10.730 1.00 34.85 N ANISOU 510 N1 DC B 6 5116 4664 3460 1210 400 -329 N ATOM 511 C2 DC B 6 -5.949 9.201 -9.523 1.00 34.03 C ANISOU 511 C2 DC B 6 5172 4341 3415 1220 378 -265 C ATOM 512 O2 DC B 6 -6.452 8.761 -8.487 1.00 39.22 O ANISOU 512 O2 DC B 6 5990 4926 3984 1085 465 -353 O ATOM 513 N3 DC B 6 -4.816 9.947 -9.515 1.00 36.12 N ANISOU 513 N3 DC B 6 5415 4468 3840 1377 254 -102 N ATOM 514 C4 DC B 6 -4.306 10.401 -10.662 1.00 36.81 C ANISOU 514 C4 DC B 6 5333 4624 4029 1520 251 36 C ATOM 515 N4 DC B 6 -3.181 11.121 -10.612 1.00 40.74 N ANISOU 515 N4 DC B 6 5751 4955 4772 1627 164 225 N ATOM 516 C5 DC B 6 -4.955 10.177 -11.907 1.00 32.57 C ANISOU 516 C5 DC B 6 4714 4313 3348 1559 326 -8 C ATOM 517 C6 DC B 6 -6.085 9.461 -11.893 1.00 35.75 C ANISOU 517 C6 DC B 6 5138 4853 3593 1400 349 -210 C ATOM 518 P DG B 7 -12.425 8.878 -11.360 1.00 49.13 P ANISOU 518 P DG B 7 5736 7399 5531 712 448 -906 P ATOM 519 OP1 DG B 7 -13.632 8.020 -11.346 1.00 54.76 O ANISOU 519 OP1 DG B 7 6156 8219 6432 388 480 -1063 O ATOM 520 OP2 DG B 7 -12.310 10.049 -12.251 1.00 44.15 O ANISOU 520 OP2 DG B 7 4986 6927 4863 1045 238 -828 O ATOM 521 O5' DG B 7 -12.144 9.412 -9.878 1.00 52.07 O ANISOU 521 O5' DG B 7 6272 7607 5904 782 734 -808 O ATOM 522 C5' DG B 7 -12.455 8.609 -8.747 1.00 49.21 C ANISOU 522 C5' DG B 7 6044 7103 5550 543 1029 -833 C ATOM 523 C4' DG B 7 -11.991 9.343 -7.507 1.00 47.68 C ANISOU 523 C4' DG B 7 6138 6740 5239 730 1201 -744 C ATOM 524 O4' DG B 7 -10.641 9.791 -7.774 1.00 44.95 O ANISOU 524 O4' DG B 7 6050 6239 4792 917 951 -654 O ATOM 525 C3' DG B 7 -12.797 10.590 -7.153 1.00 51.29 C ANISOU 525 C3' DG B 7 6351 7351 5787 966 1321 -749 C ATOM 526 O3' DG B 7 -13.152 10.578 -5.771 1.00 56.40 O ANISOU 526 O3' DG B 7 7219 7875 6336 971 1689 -742 O ATOM 527 C2' DG B 7 -11.889 11.764 -7.515 1.00 43.74 C ANISOU 527 C2' DG B 7 5518 6320 4782 1265 1053 -675 C ATOM 528 C1' DG B 7 -10.501 11.151 -7.423 1.00 38.80 C ANISOU 528 C1' DG B 7 5277 5438 4027 1185 905 -608 C ATOM 529 N9 DG B 7 -9.561 11.692 -8.386 1.00 33.63 N ANISOU 529 N9 DG B 7 4596 4758 3422 1330 637 -508 N ATOM 530 C8 DG B 7 -9.700 11.692 -9.749 1.00 33.47 C ANISOU 530 C8 DG B 7 4341 4929 3448 1369 505 -489 C ATOM 531 N7 DG B 7 -8.658 12.182 -10.361 1.00 34.27 N ANISOU 531 N7 DG B 7 4517 4933 3572 1515 365 -346 N ATOM 532 C5 DG B 7 -7.760 12.490 -9.343 1.00 31.87 C ANISOU 532 C5 DG B 7 4449 4356 3304 1534 345 -285 C ATOM 533 C6 DG B 7 -6.444 13.021 -9.402 1.00 34.08 C ANISOU 533 C6 DG B 7 4819 4416 3714 1626 202 -124 C ATOM 534 O6 DG B 7 -5.777 13.363 -10.396 1.00 29.44 O ANISOU 534 O6 DG B 7 4123 3829 3234 1724 154 36 O ATOM 535 N1 DG B 7 -5.887 13.144 -8.130 1.00 30.32 N ANISOU 535 N1 DG B 7 4588 3681 3250 1597 115 -147 N ATOM 536 C2 DG B 7 -6.513 12.772 -6.967 1.00 33.29 C ANISOU 536 C2 DG B 7 5188 4017 3445 1529 217 -290 C ATOM 537 N2 DG B 7 -5.828 12.989 -5.838 1.00 29.29 N ANISOU 537 N2 DG B 7 5000 3233 2897 1557 60 -303 N ATOM 538 N3 DG B 7 -7.719 12.225 -6.905 1.00 34.53 N ANISOU 538 N3 DG B 7 5267 4375 3479 1442 455 -401 N ATOM 539 C4 DG B 7 -8.295 12.155 -8.125 1.00 30.57 C ANISOU 539 C4 DG B 7 4438 4130 3049 1435 481 -398 C ATOM 540 P DA B 8 -13.631 11.904 -5.017 1.00 63.49 P ANISOU 540 P DA B 8 8130 8790 7204 1308 1872 -747 P ATOM 541 OP1 DA B 8 -14.318 11.470 -3.779 1.00 68.10 O ANISOU 541 OP1 DA B 8 8880 9308 7685 1248 2373 -743 O ATOM 542 OP2 DA B 8 -14.300 12.826 -5.970 1.00 57.40 O ANISOU 542 OP2 DA B 8 6860 8283 6667 1503 1724 -769 O ATOM 543 O5' DA B 8 -12.246 12.587 -4.616 1.00 59.21 O ANISOU 543 O5' DA B 8 8107 7945 6445 1504 1588 -712 O ATOM 544 C5' DA B 8 -11.455 12.004 -3.604 1.00 56.67 C ANISOU 544 C5' DA B 8 8333 7336 5864 1435 1610 -692 C ATOM 545 C4' DA B 8 -10.491 13.041 -3.064 1.00 57.08 C ANISOU 545 C4' DA B 8 8779 7121 5786 1680 1325 -699 C ATOM 546 O4' DA B 8 -9.582 13.461 -4.111 1.00 51.00 O ANISOU 546 O4' DA B 8 7817 6339 5222 1692 928 -633 O ATOM 547 C3' DA B 8 -11.122 14.317 -2.511 1.00 60.35 C ANISOU 547 C3' DA B 8 9268 7513 6150 1987 1461 -776 C ATOM 548 O3' DA B 8 -10.392 14.719 -1.334 1.00 62.80 O ANISOU 548 O3' DA B 8 10223 7470 6166 2136 1321 -833 O ATOM 549 C2' DA B 8 -10.987 15.289 -3.682 1.00 56.08 C ANISOU 549 C2' DA B 8 8342 7076 5891 2103 1181 -740 C ATOM 550 C1' DA B 8 -9.639 14.867 -4.261 1.00 50.79 C ANISOU 550 C1' DA B 8 7728 6272 5296 1936 804 -646 C ATOM 551 N9 DA B 8 -9.435 15.154 -5.678 1.00 48.78 N ANISOU 551 N9 DA B 8 7075 6174 5285 1933 623 -547 N ATOM 552 C8 DA B 8 -10.278 14.833 -6.706 1.00 49.40 C ANISOU 552 C8 DA B 8 6728 6576 5467 1889 719 -538 C ATOM 553 N7 DA B 8 -9.801 15.144 -7.888 1.00 50.32 N ANISOU 553 N7 DA B 8 6665 6749 5706 1934 513 -428 N ATOM 554 C5 DA B 8 -8.535 15.646 -7.623 1.00 44.96 C ANISOU 554 C5 DA B 8 6239 5767 5078 1968 315 -336 C ATOM 555 C6 DA B 8 -7.505 16.129 -8.460 1.00 44.37 C ANISOU 555 C6 DA B 8 6110 5577 5172 2009 123 -160 C ATOM 556 N6 DA B 8 -7.596 16.165 -9.796 1.00 35.82 N ANISOU 556 N6 DA B 8 4792 4683 4134 2068 124 -43 N ATOM 557 N1 DA B 8 -6.365 16.559 -7.870 1.00 43.28 N ANISOU 557 N1 DA B 8 6178 5107 5158 1988 -69 -98 N ATOM 558 C2 DA B 8 -6.263 16.491 -6.538 1.00 44.04 C ANISOU 558 C2 DA B 8 6596 5003 5136 1960 -130 -233 C ATOM 559 N3 DA B 8 -7.160 16.049 -5.658 1.00 47.03 N ANISOU 559 N3 DA B 8 7150 5459 5260 1963 67 -396 N ATOM 560 C4 DA B 8 -8.289 15.649 -6.266 1.00 45.23 C ANISOU 560 C4 DA B 8 6633 5563 4990 1956 322 -426 C ATOM 561 P DT B 9 -10.913 15.848 -0.321 1.00 66.51 P ANISOU 561 P DT B 9 11083 7780 6407 2489 1495 -960 P ATOM 562 OP1 DT B 9 -10.713 15.342 1.052 1.00 66.63 O ANISOU 562 OP1 DT B 9 11795 7554 5967 2538 1632 -1008 O ATOM 563 OP2 DT B 9 -12.247 16.320 -0.764 1.00 64.93 O ANISOU 563 OP2 DT B 9 10393 7878 6399 2638 1885 -969 O ATOM 564 O5' DT B 9 -9.847 17.011 -0.598 1.00 65.07 O ANISOU 564 O5' DT B 9 11037 7321 6366 2602 927 -994 O ATOM 565 C5' DT B 9 -8.467 16.713 -0.826 1.00 54.90 C ANISOU 565 C5' DT B 9 9831 5841 5188 2413 436 -927 C ATOM 566 C4' DT B 9 -7.701 18.009 -1.009 1.00 54.97 C ANISOU 566 C4' DT B 9 9911 5565 5410 2520 -7 -952 C ATOM 567 O4' DT B 9 -7.484 18.215 -2.425 1.00 50.00 O ANISOU 567 O4' DT B 9 8702 5110 5187 2416 -93 -788 O ATOM 568 C3' DT B 9 -8.470 19.243 -0.550 1.00 63.30 C ANISOU 568 C3' DT B 9 11195 6497 6357 2839 132 -1095 C ATOM 569 O3' DT B 9 -7.562 20.264 -0.162 1.00 71.91 O ANISOU 569 O3' DT B 9 12658 7147 7519 2907 -359 -1182 O ATOM 570 C2' DT B 9 -9.239 19.640 -1.806 1.00 61.67 C ANISOU 570 C2' DT B 9 10358 6608 6467 2891 340 -983 C ATOM 571 C1' DT B 9 -8.137 19.401 -2.831 1.00 56.15 C ANISOU 571 C1' DT B 9 9340 5900 6094 2637 -13 -805 C ATOM 572 N1 DT B 9 -8.572 19.294 -4.256 1.00 53.31 N ANISOU 572 N1 DT B 9 8393 5884 5978 2598 116 -646 N ATOM 573 C2 DT B 9 -7.661 19.665 -5.220 1.00 53.76 C ANISOU 573 C2 DT B 9 8246 5850 6329 2512 -146 -470 C ATOM 574 O2 DT B 9 -6.540 20.038 -4.932 1.00 56.51 O ANISOU 574 O2 DT B 9 8785 5861 6825 2427 -465 -434 O ATOM 575 N3 DT B 9 -8.089 19.538 -6.521 1.00 47.75 N ANISOU 575 N3 DT B 9 7054 5399 5690 2525 -28 -330 N ATOM 576 C4 DT B 9 -9.340 19.114 -6.935 1.00 48.34 C ANISOU 576 C4 DT B 9 6842 5854 5670 2595 233 -377 C ATOM 577 O4 DT B 9 -9.646 19.078 -8.125 1.00 46.08 O ANISOU 577 O4 DT B 9 6230 5808 5471 2628 233 -266 O ATOM 578 C5 DT B 9 -10.259 18.763 -5.872 1.00 48.94 C ANISOU 578 C5 DT B 9 7041 6008 5546 2642 500 -555 C ATOM 579 C7 DT B 9 -11.644 18.289 -6.200 1.00 48.99 C ANISOU 579 C7 DT B 9 6648 6409 5558 2677 793 -602 C ATOM 580 C6 DT B 9 -9.841 18.869 -4.601 1.00 50.90 C ANISOU 580 C6 DT B 9 7765 5958 5619 2656 475 -667 C ATOM 581 P DG B 10 -7.802 21.103 1.181 1.00 79.65 P ANISOU 581 P DG B 10 14411 7752 8103 3218 -406 -1441 P ATOM 582 OP1 DG B 10 -7.791 20.146 2.311 1.00 78.92 O ANISOU 582 OP1 DG B 10 14842 7629 7517 3227 -297 -1525 O ATOM 583 OP2 DG B 10 -8.965 21.997 0.956 1.00 80.70 O ANISOU 583 OP2 DG B 10 14426 7986 8252 3534 -12 -1492 O ATOM 584 O5' DG B 10 -6.491 22.022 1.250 1.00 80.90 O ANISOU 584 O5' DG B 10 14796 7411 8530 3121 -1130 -1497 O ATOM 585 C5' DG B 10 -5.365 21.732 0.425 1.00 79.78 C ANISOU 585 C5' DG B 10 14193 7261 8857 2791 -1505 -1298 C ATOM 586 C4' DG B 10 -4.967 22.938 -0.406 1.00 79.24 C ANISOU 586 C4' DG B 10 13847 6971 9291 2753 -1740 -1202 C ATOM 587 O4' DG B 10 -5.568 22.880 -1.727 1.00 76.04 O ANISOU 587 O4' DG B 10 12816 6957 9119 2753 -1346 -976 O ATOM 588 C3' DG B 10 -5.393 24.278 0.174 1.00 86.08 C ANISOU 588 C3' DG B 10 15210 7451 10045 3031 -1827 -1418 C ATOM 589 O3' DG B 10 -4.404 25.235 -0.173 1.00 89.52 O ANISOU 589 O3' DG B 10 15585 7450 10976 2858 -2328 -1358 O ATOM 590 C2' DG B 10 -6.718 24.544 -0.537 1.00 83.25 C ANISOU 590 C2' DG B 10 14525 7452 9655 3286 -1242 -1340 C ATOM 591 C1' DG B 10 -6.403 24.007 -1.929 1.00 78.01 C ANISOU 591 C1' DG B 10 13126 7130 9385 3033 -1168 -1025 C ATOM 592 N9 DG B 10 -7.573 23.586 -2.697 1.00 75.81 N ANISOU 592 N9 DG B 10 12406 7362 9037 3165 -662 -922 N ATOM 593 C8 DG B 10 -8.798 23.187 -2.214 1.00 79.64 C ANISOU 593 C8 DG B 10 12940 8133 9188 3381 -219 -1046 C ATOM 594 N7 DG B 10 -9.644 22.841 -3.148 1.00 76.67 N ANISOU 594 N7 DG B 10 12023 8194 8913 3418 92 -917 N ATOM 595 C5 DG B 10 -8.920 22.981 -4.326 1.00 71.52 C ANISOU 595 C5 DG B 10 11029 7550 8595 3244 -144 -696 C ATOM 596 C6 DG B 10 -9.307 22.750 -5.669 1.00 69.53 C ANISOU 596 C6 DG B 10 10250 7660 8510 3231 -29 -501 C ATOM 597 O6 DG B 10 -10.401 22.355 -6.099 1.00 72.00 O ANISOU 597 O6 DG B 10 10226 8369 8759 3339 237 -504 O ATOM 598 N1 DG B 10 -8.290 23.069 -6.567 1.00 63.51 N ANISOU 598 N1 DG B 10 9364 6742 8023 3087 -271 -281 N ATOM 599 C2 DG B 10 -7.052 23.540 -6.202 1.00 64.16 C ANISOU 599 C2 DG B 10 9692 6380 8305 2927 -589 -244 C ATOM 600 N2 DG B 10 -6.204 23.796 -7.206 1.00 64.83 N ANISOU 600 N2 DG B 10 9550 6376 8708 2797 -700 24 N ATOM 601 N3 DG B 10 -6.669 23.752 -4.949 1.00 66.68 N ANISOU 601 N3 DG B 10 10454 6355 8526 2903 -794 -451 N ATOM 602 C4 DG B 10 -7.651 23.451 -4.066 1.00 71.07 C ANISOU 602 C4 DG B 10 11239 7053 8709 3087 -555 -676 C ATOM 603 P DG B 11 -4.558 26.757 0.287 1.00 94.88 P ANISOU 603 P DG B 11 16789 7578 11684 3073 -2562 -1568 P ATOM 604 OP1 DG B 11 -3.954 26.879 1.631 1.00 96.39 O ANISOU 604 OP1 DG B 11 17714 7309 11599 3072 -3102 -1884 O ATOM 605 OP2 DG B 11 -5.969 27.161 0.090 1.00 97.32 O ANISOU 605 OP2 DG B 11 17123 8120 11736 3475 -1982 -1605 O ATOM 606 O5' DG B 11 -3.660 27.544 -0.785 1.00 92.30 O ANISOU 606 O5' DG B 11 15994 6983 12094 2790 -2848 -1299 O ATOM 607 C5' DG B 11 -3.219 26.912 -1.986 1.00 80.60 C ANISOU 607 C5' DG B 11 13773 5857 10993 2539 -2675 -932 C ATOM 608 C4' DG B 11 -3.495 27.745 -3.231 1.00 76.95 C ANISOU 608 C4' DG B 11 12948 5400 10889 2597 -2419 -654 C ATOM 609 O4' DG B 11 -4.589 27.167 -3.988 1.00 70.13 O ANISOU 609 O4' DG B 11 11757 5131 9759 2815 -1862 -535 O ATOM 610 C3' DG B 11 -3.827 29.227 -3.060 1.00 80.14 C ANISOU 610 C3' DG B 11 13760 5297 11394 2805 -2532 -760 C ATOM 611 O3' DG B 11 -3.202 29.972 -4.107 1.00 81.47 O ANISOU 611 O3' DG B 11 13591 5217 12146 2619 -2584 -424 O ATOM 612 C2' DG B 11 -5.342 29.258 -3.228 1.00 77.62 C ANISOU 612 C2' DG B 11 13481 5365 10646 3257 -2001 -823 C ATOM 613 C1' DG B 11 -5.544 28.169 -4.276 1.00 72.08 C ANISOU 613 C1' DG B 11 12131 5307 9950 3158 -1646 -547 C ATOM 614 N9 DG B 11 -6.875 27.570 -4.245 1.00 67.77 N ANISOU 614 N9 DG B 11 11486 5281 8981 3455 -1196 -641 N ATOM 615 C8 DG B 11 -7.642 27.297 -3.136 1.00 68.59 C ANISOU 615 C8 DG B 11 11956 5459 8645 3679 -1030 -938 C ATOM 616 N7 DG B 11 -8.805 26.779 -3.421 1.00 66.73 N ANISOU 616 N7 DG B 11 11424 5723 8206 3888 -584 -923 N ATOM 617 C5 DG B 11 -8.813 26.711 -4.810 1.00 62.85 C ANISOU 617 C5 DG B 11 10388 5502 7991 3813 -523 -630 C ATOM 618 C6 DG B 11 -9.814 26.235 -5.691 1.00 56.83 C ANISOU 618 C6 DG B 11 9131 5275 7189 3950 -207 -510 C ATOM 619 O6 DG B 11 -10.929 25.772 -5.410 1.00 56.68 O ANISOU 619 O6 DG B 11 8961 5610 6966 4133 112 -627 O ATOM 620 N1 DG B 11 -9.414 26.353 -7.019 1.00 51.85 N ANISOU 620 N1 DG B 11 8164 4732 6805 3855 -294 -218 N ATOM 621 C2 DG B 11 -8.208 26.869 -7.438 1.00 55.99 C ANISOU 621 C2 DG B 11 8770 4879 7625 3646 -553 -24 C ATOM 622 N2 DG B 11 -8.014 26.934 -8.765 1.00 54.60 N ANISOU 622 N2 DG B 11 8290 4846 7608 3629 -510 284 N ATOM 623 N3 DG B 11 -7.259 27.309 -6.623 1.00 56.89 N ANISOU 623 N3 DG B 11 9240 4493 7882 3469 -840 -118 N ATOM 624 C4 DG B 11 -7.633 27.199 -5.329 1.00 61.73 C ANISOU 624 C4 DG B 11 10234 5013 8209 3570 -851 -442 C ATOM 625 P DC B 12 -3.013 31.561 -4.040 1.00 88.69 P ANISOU 625 P DC B 12 14881 5405 13413 2654 -2851 -446 P ATOM 626 OP1 DC B 12 -1.586 31.886 -4.248 1.00 89.82 O ANISOU 626 OP1 DC B 12 14794 5089 14246 2170 -3270 -250 O ATOM 627 OP2 DC B 12 -3.712 32.071 -2.840 1.00 95.87 O ANISOU 627 OP2 DC B 12 16519 6033 13875 2983 -2985 -890 O ATOM 628 O5' DC B 12 -3.818 32.050 -5.331 1.00 88.49 O ANISOU 628 O5' DC B 12 14581 5608 13431 2930 -2354 -117 O ATOM 629 C5' DC B 12 -3.900 31.171 -6.441 1.00 83.63 C ANISOU 629 C5' DC B 12 13381 5592 12803 2886 -1983 207 C ATOM 630 C4' DC B 12 -5.083 31.541 -7.309 1.00 81.69 C ANISOU 630 C4' DC B 12 13058 5639 12340 3312 -1577 355 C ATOM 631 O4' DC B 12 -6.082 30.506 -7.184 1.00 77.88 O ANISOU 631 O4' DC B 12 12412 5810 11371 3527 -1300 195 O ATOM 632 C3' DC B 12 -5.821 32.798 -6.883 1.00 86.12 C ANISOU 632 C3' DC B 12 14113 5776 12832 3690 -1613 184 C ATOM 633 O3' DC B 12 -5.178 33.938 -7.432 1.00 92.43 O ANISOU 633 O3' DC B 12 15022 5983 14113 3575 -1750 449 O ATOM 634 C2' DC B 12 -7.188 32.584 -7.522 1.00 84.01 C ANISOU 634 C2' DC B 12 13630 6074 12215 4151 -1204 243 C ATOM 635 C1' DC B 12 -7.326 31.065 -7.538 1.00 76.40 C ANISOU 635 C1' DC B 12 12266 5778 10984 3994 -1049 192 C ATOM 636 N1 DC B 12 -8.303 30.584 -6.552 1.00 75.85 N ANISOU 636 N1 DC B 12 12342 5981 10496 4239 -900 -164 N ATOM 637 C2 DC B 12 -9.417 29.891 -7.020 1.00 74.18 C ANISOU 637 C2 DC B 12 11744 6397 10043 4467 -570 -143 C ATOM 638 O2 DC B 12 -9.510 29.706 -8.239 1.00 71.48 O ANISOU 638 O2 DC B 12 11017 6347 9794 4468 -490 140 O ATOM 639 N3 DC B 12 -10.337 29.448 -6.127 1.00 73.93 N ANISOU 639 N3 DC B 12 11786 6611 9694 4675 -351 -424 N ATOM 640 C4 DC B 12 -10.165 29.697 -4.826 1.00 77.08 C ANISOU 640 C4 DC B 12 12716 6648 9923 4712 -434 -717 C ATOM 641 N4 DC B 12 -11.109 29.276 -3.978 1.00 78.15 N ANISOU 641 N4 DC B 12 12946 7026 9720 4957 -118 -951 N ATOM 642 C5 DC B 12 -9.028 30.407 -4.335 1.00 80.37 C ANISOU 642 C5 DC B 12 13605 6415 10517 4503 -850 -782 C ATOM 643 C6 DC B 12 -8.124 30.829 -5.225 1.00 78.61 C ANISOU 643 C6 DC B 12 13208 5955 10705 4245 -1082 -498 C TER 644 DC B 12 ATOM 645 O5' DG C 1 -18.992 27.475 -10.290 1.00101.46 O ANISOU 645 O5' DG C 1 13021 10920 14609 6866 -2227 -3231 O ATOM 646 C5' DG C 1 -19.037 26.450 -11.275 1.00102.36 C ANISOU 646 C5' DG C 1 13164 11086 14643 7089 -2909 -3318 C ATOM 647 C4' DG C 1 -17.777 26.454 -12.121 1.00 99.96 C ANISOU 647 C4' DG C 1 13919 10850 13209 7174 -2949 -2797 C ATOM 648 O4' DG C 1 -16.702 27.130 -11.420 1.00 94.08 O ANISOU 648 O4' DG C 1 13564 10192 11991 6727 -2124 -2349 O ATOM 649 C3' DG C 1 -17.226 25.079 -12.475 1.00 98.42 C ANISOU 649 C3' DG C 1 13763 10902 12731 6950 -3004 -2701 C ATOM 650 O3' DG C 1 -16.608 25.147 -13.756 1.00103.85 O ANISOU 650 O3' DG C 1 15474 11428 12555 7442 -3392 -2417 O ATOM 651 C2' DG C 1 -16.229 24.807 -11.349 1.00 89.71 C ANISOU 651 C2' DG C 1 12541 10105 11439 6180 -2050 -2362 C ATOM 652 C1' DG C 1 -15.717 26.201 -10.994 1.00 88.27 C ANISOU 652 C1' DG C 1 12808 9762 10967 6157 -1641 -2087 C ATOM 653 N9 DG C 1 -15.470 26.420 -9.566 1.00 83.62 N ANISOU 653 N9 DG C 1 11899 9296 10577 5593 -963 -2075 N ATOM 654 C8 DG C 1 -16.330 26.150 -8.523 1.00 84.90 C ANISOU 654 C8 DG C 1 11408 9514 11335 5378 -674 -2418 C ATOM 655 N7 DG C 1 -15.892 26.552 -7.362 1.00 80.23 N ANISOU 655 N7 DG C 1 10936 8938 10610 5001 -95 -2333 N ATOM 656 C5 DG C 1 -14.665 27.142 -7.647 1.00 75.03 C ANISOU 656 C5 DG C 1 10887 8224 9396 4916 -95 -1954 C ATOM 657 C6 DG C 1 -13.726 27.760 -6.783 1.00 70.28 C ANISOU 657 C6 DG C 1 10620 7534 8550 4573 240 -1789 C ATOM 658 O6 DG C 1 -13.795 27.910 -5.552 1.00 67.70 O ANISOU 658 O6 DG C 1 10295 7183 8243 4327 566 -1946 O ATOM 659 N1 DG C 1 -12.622 28.247 -7.486 1.00 65.55 N ANISOU 659 N1 DG C 1 10444 6769 7693 4575 173 -1429 N ATOM 660 C2 DG C 1 -12.469 28.175 -8.852 1.00 67.08 C ANISOU 660 C2 DG C 1 10899 6882 7707 4926 -45 -1200 C ATOM 661 N2 DG C 1 -11.359 28.724 -9.365 1.00 65.73 N ANISOU 661 N2 DG C 1 11163 6433 7380 4890 162 -818 N ATOM 662 N3 DG C 1 -13.332 27.582 -9.667 1.00 70.86 N ANISOU 662 N3 DG C 1 11268 7463 8194 5317 -434 -1355 N ATOM 663 C4 DG C 1 -14.401 27.083 -8.999 1.00 76.18 C ANISOU 663 C4 DG C 1 11345 8309 9292 5264 -505 -1759 C ATOM 664 P DC C 2 -15.394 24.185 -14.164 1.00105.98 P ANISOU 664 P DC C 2 16242 11887 12137 7194 -3045 -2019 P ATOM 665 OP1 DC C 2 -15.958 23.015 -14.872 1.00110.33 O ANISOU 665 OP1 DC C 2 16674 12439 12807 7488 -3814 -2388 O ATOM 666 OP2 DC C 2 -14.516 23.972 -12.990 1.00100.05 O ANISOU 666 OP2 DC C 2 15087 11439 11491 6392 -2147 -1744 O ATOM 667 O5' DC C 2 -14.583 25.077 -15.216 1.00107.56 O ANISOU 667 O5' DC C 2 17728 11731 11408 7702 -2902 -1529 O ATOM 668 C5' DC C 2 -14.077 26.348 -14.828 1.00104.93 C ANISOU 668 C5' DC C 2 17654 11217 10996 7570 -2294 -1190 C ATOM 669 C4' DC C 2 -12.587 26.298 -14.532 1.00 98.90 C ANISOU 669 C4' DC C 2 17077 10497 10002 7025 -1349 -661 C ATOM 670 O4' DC C 2 -12.356 26.390 -13.103 1.00 90.70 O ANISOU 670 O4' DC C 2 15214 9723 9525 6294 -928 -733 O ATOM 671 C3' DC C 2 -11.842 25.058 -15.013 1.00 97.12 C ANISOU 671 C3' DC C 2 17029 10420 9454 6912 -1185 -486 C ATOM 672 O3' DC C 2 -10.705 25.482 -15.759 1.00104.72 O ANISOU 672 O3' DC C 2 18862 11001 9927 7070 -505 68 O ATOM 673 C2' DC C 2 -11.453 24.339 -13.722 1.00 88.60 C ANISOU 673 C2' DC C 2 14997 9762 8905 6095 -847 -566 C ATOM 674 C1' DC C 2 -11.321 25.500 -12.743 1.00 84.37 C ANISOU 674 C1' DC C 2 14200 9136 8720 5771 -496 -521 C ATOM 675 N1 DC C 2 -11.518 25.150 -11.303 1.00 78.60 N ANISOU 675 N1 DC C 2 12675 8727 8462 5186 -400 -777 N ATOM 676 C2 DC C 2 -10.684 25.715 -10.324 1.00 73.08 C ANISOU 676 C2 DC C 2 11860 7962 7944 4714 25 -633 C ATOM 677 O2 DC C 2 -9.753 26.457 -10.666 1.00 71.71 O ANISOU 677 O2 DC C 2 12051 7461 7735 4702 346 -302 O ATOM 678 N3 DC C 2 -10.930 25.448 -9.016 1.00 67.30 N ANISOU 678 N3 DC C 2 10675 7440 7455 4316 79 -879 N ATOM 679 C4 DC C 2 -11.957 24.668 -8.672 1.00 67.62 C ANISOU 679 C4 DC C 2 10314 7722 7658 4330 -78 -1200 C ATOM 680 N4 DC C 2 -12.159 24.440 -7.370 1.00 62.46 N ANISOU 680 N4 DC C 2 9403 7175 7153 3987 160 -1378 N ATOM 681 C5 DC C 2 -12.823 24.090 -9.650 1.00 72.52 C ANISOU 681 C5 DC C 2 10831 8391 8333 4731 -487 -1373 C ATOM 682 C6 DC C 2 -12.577 24.367 -10.937 1.00 77.37 C ANISOU 682 C6 DC C 2 11974 8819 8603 5175 -733 -1183 C ATOM 683 P DC C 3 -9.749 24.442 -16.519 1.00110.30 P ANISOU 683 P DC C 3 20044 11663 10201 7114 -97 370 P ATOM 684 OP1 DC C 3 -9.882 24.677 -17.978 1.00114.80 O ANISOU 684 OP1 DC C 3 21975 11752 9891 8014 -218 552 O ATOM 685 OP2 DC C 3 -9.973 23.093 -15.945 1.00103.54 O ANISOU 685 OP2 DC C 3 18371 11313 9658 6705 -454 36 O ATOM 686 O5' DC C 3 -8.293 24.917 -16.055 1.00107.06 O ANISOU 686 O5' DC C 3 19456 11038 10182 6548 987 866 O ATOM 687 C5' DC C 3 -8.133 25.480 -14.758 1.00100.08 C ANISOU 687 C5' DC C 3 17717 10302 10007 5913 1094 763 C ATOM 688 C4' DC C 3 -6.675 25.701 -14.399 1.00 97.35 C ANISOU 688 C4' DC C 3 17114 9679 10195 5400 1919 1137 C ATOM 689 O4' DC C 3 -6.548 25.593 -12.961 1.00 89.86 O ANISOU 689 O4' DC C 3 15242 9050 9852 4745 1685 865 O ATOM 690 C3' DC C 3 -5.696 24.666 -14.938 1.00 97.32 C ANISOU 690 C3' DC C 3 17194 9621 10160 5334 2407 1405 C ATOM 691 O3' DC C 3 -4.371 25.202 -14.930 1.00102.46 O ANISOU 691 O3' DC C 3 17728 9744 11457 5037 3298 1803 O ATOM 692 C2' DC C 3 -5.878 23.530 -13.935 1.00 88.91 C ANISOU 692 C2' DC C 3 15275 9159 9347 4855 1874 1045 C ATOM 693 C1' DC C 3 -6.233 24.256 -12.637 1.00 85.55 C ANISOU 693 C1' DC C 3 14263 8876 9366 4454 1558 773 C ATOM 694 N1 DC C 3 -7.367 23.648 -11.879 1.00 78.43 N ANISOU 694 N1 DC C 3 12953 8488 8359 4367 907 321 N ATOM 695 C2 DC C 3 -7.354 23.710 -10.481 1.00 73.42 C ANISOU 695 C2 DC C 3 11781 8031 8085 3889 766 99 C ATOM 696 O2 DC C 3 -6.448 24.343 -9.925 1.00 67.63 O ANISOU 696 O2 DC C 3 10918 7033 7745 3582 979 215 O ATOM 697 N3 DC C 3 -8.348 23.097 -9.785 1.00 72.60 N ANISOU 697 N3 DC C 3 11366 8293 7924 3816 418 -252 N ATOM 698 C4 DC C 3 -9.313 22.442 -10.439 1.00 74.15 C ANISOU 698 C4 DC C 3 11583 8667 7924 4141 130 -429 C ATOM 699 N4 DC C 3 -10.287 21.871 -9.721 1.00 72.36 N ANISOU 699 N4 DC C 3 10935 8686 7872 4027 -72 -773 N ATOM 700 C5 DC C 3 -9.325 22.344 -11.862 1.00 76.84 C ANISOU 700 C5 DC C 3 12436 8848 7911 4638 46 -281 C ATOM 701 C6 DC C 3 -8.341 22.951 -12.535 1.00 79.96 C ANISOU 701 C6 DC C 3 13324 8891 8165 4759 486 117 C ATOM 702 P DA C 4 -3.105 24.352 -15.432 1.00109.93 P ANISOU 702 P DA C 4 18624 10437 12709 4917 4080 2142 P ATOM 703 OP1 DA C 4 -2.637 24.913 -16.720 1.00115.40 O ANISOU 703 OP1 DA C 4 20334 10407 13107 5440 5090 2653 O ATOM 704 OP2 DA C 4 -3.436 22.909 -15.357 1.00106.90 O ANISOU 704 OP2 DA C 4 18035 10628 11954 4901 3536 1887 O ATOM 705 O5' DA C 4 -1.999 24.649 -14.310 1.00105.10 O ANISOU 705 O5' DA C 4 16939 9630 13364 4172 4277 2125 O ATOM 706 C5' DA C 4 -2.382 25.189 -13.048 1.00 94.44 C ANISOU 706 C5' DA C 4 14997 8525 12361 3780 3571 1752 C ATOM 707 C4' DA C 4 -1.603 24.570 -11.901 1.00 85.67 C ANISOU 707 C4' DA C 4 12966 7565 12022 3191 3210 1531 C ATOM 708 O4' DA C 4 -2.521 23.841 -11.050 1.00 74.34 O ANISOU 708 O4' DA C 4 11375 6822 10049 3104 2361 1130 O ATOM 709 C3' DA C 4 -0.546 23.546 -12.282 1.00 86.81 C ANISOU 709 C3' DA C 4 12808 7571 12607 3080 3651 1740 C ATOM 710 O3' DA C 4 0.386 23.448 -11.213 1.00 92.48 O ANISOU 710 O3' DA C 4 12655 8131 14352 2562 3313 1550 O ATOM 711 C2' DA C 4 -1.389 22.280 -12.373 1.00 79.32 C ANISOU 711 C2' DA C 4 12082 7312 10745 3271 3143 1558 C ATOM 712 C1' DA C 4 -2.260 22.455 -11.135 1.00 71.38 C ANISOU 712 C1' DA C 4 10820 6754 9547 3049 2279 1131 C ATOM 713 N9 DA C 4 -3.545 21.775 -11.211 1.00 63.38 N ANISOU 713 N9 DA C 4 10079 6295 7706 3292 1818 901 N ATOM 714 C8 DA C 4 -4.229 21.435 -12.341 1.00 65.08 C ANISOU 714 C8 DA C 4 10862 6599 7267 3780 1890 967 C ATOM 715 N7 DA C 4 -5.385 20.858 -12.119 1.00 61.36 N ANISOU 715 N7 DA C 4 10363 6565 6387 3884 1322 641 N ATOM 716 C5 DA C 4 -5.465 20.823 -10.739 1.00 59.20 C ANISOU 716 C5 DA C 4 9559 6506 6430 3440 1024 408 C ATOM 717 C6 DA C 4 -6.462 20.338 -9.871 1.00 56.42 C ANISOU 717 C6 DA C 4 8959 6522 5956 3317 611 63 C ATOM 718 N6 DA C 4 -7.583 19.750 -10.305 1.00 54.93 N ANISOU 718 N6 DA C 4 8809 6554 5508 3577 351 -152 N ATOM 719 N1 DA C 4 -6.246 20.475 -8.543 1.00 55.65 N ANISOU 719 N1 DA C 4 8608 6461 6076 2949 492 -68 N ATOM 720 C2 DA C 4 -5.105 21.046 -8.126 1.00 57.09 C ANISOU 720 C2 DA C 4 8698 6342 6653 2714 569 62 C ATOM 721 N3 DA C 4 -4.096 21.538 -8.849 1.00 59.50 N ANISOU 721 N3 DA C 4 9006 6264 7338 2738 910 344 N ATOM 722 C4 DA C 4 -4.343 21.389 -10.161 1.00 60.16 C ANISOU 722 C4 DA C 4 9425 6320 7114 3108 1229 544 C ATOM 723 P DT C 5 1.806 22.741 -11.426 1.00100.97 P ANISOU 723 P DT C 5 13107 8786 16473 2354 3801 1738 P ATOM 724 OP1 DT C 5 2.704 23.222 -10.347 1.00103.88 O ANISOU 724 OP1 DT C 5 12614 8737 18120 1889 3323 1479 O ATOM 725 OP2 DT C 5 2.184 22.902 -12.850 1.00107.22 O ANISOU 725 OP2 DT C 5 14393 9076 17271 2705 5040 2232 O ATOM 726 O5' DT C 5 1.508 21.182 -11.216 1.00 94.21 O ANISOU 726 O5' DT C 5 12234 8593 14970 2387 3285 1588 O ATOM 727 C5' DT C 5 1.963 20.507 -10.049 1.00 89.04 C ANISOU 727 C5' DT C 5 10949 8106 14777 2038 2488 1284 C ATOM 728 C4' DT C 5 0.879 20.501 -8.986 1.00 80.67 C ANISOU 728 C4' DT C 5 10138 7607 12906 1983 1582 916 C ATOM 729 O4' DT C 5 -0.401 20.180 -9.586 1.00 74.92 O ANISOU 729 O4' DT C 5 10030 7382 11053 2307 1681 945 O ATOM 730 C3' DT C 5 1.094 19.459 -7.895 1.00 76.75 C ANISOU 730 C3' DT C 5 9376 7380 12404 1784 805 658 C ATOM 731 O3' DT C 5 1.411 20.101 -6.669 1.00 76.05 O ANISOU 731 O3' DT C 5 9099 7056 12743 1563 82 344 O ATOM 732 C2' DT C 5 -0.225 18.690 -7.814 1.00 70.07 C ANISOU 732 C2' DT C 5 9031 7195 10396 1952 616 562 C ATOM 733 C1' DT C 5 -1.194 19.574 -8.587 1.00 67.16 C ANISOU 733 C1' DT C 5 9097 6896 9527 2212 1000 636 C ATOM 734 N1 DT C 5 -2.306 18.822 -9.233 1.00 57.34 N ANISOU 734 N1 DT C 5 8227 6096 7463 2492 1058 624 N ATOM 735 C2 DT C 5 -3.310 18.289 -8.453 1.00 50.84 C ANISOU 735 C2 DT C 5 7465 5682 6169 2442 632 354 C ATOM 736 O2 DT C 5 -3.346 18.387 -7.241 1.00 49.30 O ANISOU 736 O2 DT C 5 7201 5521 6008 2226 275 163 O ATOM 737 N3 DT C 5 -4.293 17.638 -9.152 1.00 50.01 N ANISOU 737 N3 DT C 5 7562 5860 5578 2695 656 297 N ATOM 738 C4 DT C 5 -4.351 17.453 -10.524 1.00 55.48 C ANISOU 738 C4 DT C 5 8552 6483 6045 3051 924 453 C ATOM 739 O4 DT C 5 -5.244 16.827 -11.086 1.00 55.55 O ANISOU 739 O4 DT C 5 8743 6693 5671 3302 744 308 O ATOM 740 C5 DT C 5 -3.266 18.023 -11.272 1.00 57.94 C ANISOU 740 C5 DT C 5 8991 6371 6653 3143 1453 783 C ATOM 741 C7 DT C 5 -3.256 17.867 -12.762 1.00 63.18 C ANISOU 741 C7 DT C 5 10248 6846 6912 3624 1876 999 C ATOM 742 C6 DT C 5 -2.308 18.678 -10.604 1.00 58.25 C ANISOU 742 C6 DT C 5 8669 6111 7354 2831 1558 864 C ATOM 743 P DC C 6 2.407 19.406 -5.628 1.00 81.00 P ANISOU 743 P DC C 6 9310 7469 13998 1377 -745 107 P ATOM 744 OP1 DC C 6 2.693 20.427 -4.597 1.00 88.57 O ANISOU 744 OP1 DC C 6 10225 8025 15402 1247 -1475 -244 O ATOM 745 OP2 DC C 6 3.527 18.747 -6.340 1.00 82.52 O ANISOU 745 OP2 DC C 6 8876 7338 15138 1335 -348 325 O ATOM 746 O5' DC C 6 1.514 18.247 -4.984 1.00 74.28 O ANISOU 746 O5' DC C 6 9003 7240 11981 1480 -1135 6 O ATOM 747 C5' DC C 6 0.180 18.529 -4.584 1.00 68.01 C ANISOU 747 C5' DC C 6 8824 6845 10171 1581 -1140 -111 C ATOM 748 C4' DC C 6 -0.452 17.318 -3.926 1.00 62.70 C ANISOU 748 C4' DC C 6 8554 6572 8698 1636 -1372 -177 C ATOM 749 O4' DC C 6 -1.435 16.750 -4.823 1.00 55.47 O ANISOU 749 O4' DC C 6 7734 6079 7264 1756 -782 -16 O ATOM 750 C3' DC C 6 0.489 16.173 -3.565 1.00 65.61 C ANISOU 750 C3' DC C 6 8733 6823 9372 1592 -1796 -158 C ATOM 751 O3' DC C 6 -0.009 15.570 -2.368 1.00 69.30 O ANISOU 751 O3' DC C 6 9835 7419 9076 1657 -2238 -318 O ATOM 752 C2' DC C 6 0.371 15.253 -4.780 1.00 58.18 C ANISOU 752 C2' DC C 6 7554 6145 8406 1649 -1155 120 C ATOM 753 C1' DC C 6 -1.121 15.389 -5.062 1.00 53.54 C ANISOU 753 C1' DC C 6 7370 5970 7004 1756 -759 105 C ATOM 754 N1 DC C 6 -1.569 15.048 -6.448 1.00 48.37 N ANISOU 754 N1 DC C 6 6641 5516 6219 1910 -184 287 N ATOM 755 C2 DC C 6 -2.917 14.732 -6.663 1.00 41.82 C ANISOU 755 C2 DC C 6 6066 5029 4796 2029 -34 194 C ATOM 756 O2 DC C 6 -3.687 14.657 -5.698 1.00 44.36 O ANISOU 756 O2 DC C 6 6603 5474 4779 1965 -189 19 O ATOM 757 N3 DC C 6 -3.333 14.440 -7.918 1.00 35.82 N ANISOU 757 N3 DC C 6 5338 4380 3894 2248 274 275 N ATOM 758 C4 DC C 6 -2.491 14.577 -8.939 1.00 35.36 C ANISOU 758 C4 DC C 6 5227 4101 4106 2378 597 499 C ATOM 759 N4 DC C 6 -2.979 14.360 -10.162 1.00 33.50 N ANISOU 759 N4 DC C 6 5270 3919 3540 2698 846 550 N ATOM 760 C5 DC C 6 -1.137 14.992 -8.760 1.00 39.06 C ANISOU 760 C5 DC C 6 5389 4193 5258 2229 689 651 C ATOM 761 C6 DC C 6 -0.718 15.196 -7.506 1.00 46.52 C ANISOU 761 C6 DC C 6 6146 5037 6493 1982 209 507 C ATOM 762 P DG C 7 0.805 14.478 -1.522 1.00 75.21 P ANISOU 762 P DG C 7 10748 7971 9855 1708 -2945 -376 P ATOM 763 OP1 DG C 7 1.356 15.177 -0.342 1.00 82.90 O ANISOU 763 OP1 DG C 7 12083 8498 10915 1781 -3871 -698 O ATOM 764 OP2 DG C 7 1.721 13.694 -2.383 1.00 74.39 O ANISOU 764 OP2 DG C 7 9953 7799 10512 1659 -2817 -185 O ATOM 765 O5' DG C 7 -0.376 13.496 -1.067 1.00 69.66 O ANISOU 765 O5' DG C 7 10746 7635 8087 1799 -2589 -300 O ATOM 766 C5' DG C 7 -1.645 14.043 -0.720 1.00 63.16 C ANISOU 766 C5' DG C 7 10416 6994 6588 1838 -2158 -378 C ATOM 767 C4' DG C 7 -2.707 12.962 -0.608 1.00 58.94 C ANISOU 767 C4' DG C 7 10217 6722 5455 1865 -1586 -262 C ATOM 768 O4' DG C 7 -3.188 12.595 -1.929 1.00 54.82 O ANISOU 768 O4' DG C 7 9073 6518 5237 1787 -1038 -130 O ATOM 769 C3' DG C 7 -2.287 11.646 0.036 1.00 60.41 C ANISOU 769 C3' DG C 7 10812 6778 5361 1934 -1845 -161 C ATOM 770 O3' DG C 7 -3.460 11.055 0.611 1.00 60.75 O ANISOU 770 O3' DG C 7 11451 6875 4758 1978 -1224 -112 O ATOM 771 C2' DG C 7 -1.767 10.875 -1.175 1.00 57.52 C ANISOU 771 C2' DG C 7 9667 6587 5603 1832 -1721 10 C ATOM 772 C1' DG C 7 -2.771 11.282 -2.255 1.00 51.11 C ANISOU 772 C1' DG C 7 8441 6096 4883 1765 -1049 23 C ATOM 773 N9 DG C 7 -2.257 11.307 -3.623 1.00 47.81 N ANISOU 773 N9 DG C 7 7379 5770 5014 1751 -911 130 N ATOM 774 C8 DG C 7 -1.025 11.754 -4.045 1.00 49.40 C ANISOU 774 C8 DG C 7 7177 5749 5846 1740 -1149 191 C ATOM 775 N7 DG C 7 -0.877 11.733 -5.343 1.00 45.83 N ANISOU 775 N7 DG C 7 6352 5362 5698 1790 -728 326 N ATOM 776 C5 DG C 7 -2.090 11.250 -5.819 1.00 40.40 C ANISOU 776 C5 DG C 7 5834 4982 4532 1859 -387 298 C ATOM 777 C6 DG C 7 -2.516 10.990 -7.143 1.00 37.76 C ANISOU 777 C6 DG C 7 5410 4785 4153 2017 -23 347 C ATOM 778 O6 DG C 7 -1.894 11.157 -8.203 1.00 40.57 O ANISOU 778 O6 DG C 7 5646 5019 4750 2157 235 491 O ATOM 779 N1 DG C 7 -3.804 10.467 -7.177 1.00 35.09 N ANISOU 779 N1 DG C 7 5199 4661 3474 2049 51 190 N ATOM 780 C2 DG C 7 -4.593 10.256 -6.072 1.00 37.54 C ANISOU 780 C2 DG C 7 5673 5017 3576 1917 21 65 C ATOM 781 N2 DG C 7 -5.823 9.770 -6.296 1.00 37.24 N ANISOU 781 N2 DG C 7 5573 5080 3497 1942 198 -102 N ATOM 782 N3 DG C 7 -4.217 10.523 -4.829 1.00 39.73 N ANISOU 782 N3 DG C 7 6205 5162 3727 1807 -159 78 N ATOM 783 C4 DG C 7 -2.951 10.997 -4.775 1.00 43.24 C ANISOU 783 C4 DG C 7 6552 5428 4449 1798 -463 171 C ATOM 784 P DA C 8 -3.518 9.590 1.261 1.00 60.59 P ANISOU 784 P DA C 8 12024 6700 4297 2058 -1090 61 P ATOM 785 OP1 DA C 8 -4.529 9.639 2.337 1.00 67.27 O ANISOU 785 OP1 DA C 8 13814 7336 4409 2185 -504 52 O ATOM 786 OP2 DA C 8 -2.143 9.119 1.528 1.00 64.92 O ANISOU 786 OP2 DA C 8 12661 7017 4988 2172 -1987 89 O ATOM 787 O5' DA C 8 -4.123 8.679 0.097 1.00 59.18 O ANISOU 787 O5' DA C 8 11088 6828 4569 1870 -474 185 O ATOM 788 C5' DA C 8 -5.290 9.133 -0.568 1.00 54.16 C ANISOU 788 C5' DA C 8 10000 6417 4161 1768 141 86 C ATOM 789 C4' DA C 8 -5.801 8.044 -1.483 1.00 50.91 C ANISOU 789 C4' DA C 8 9054 6154 4135 1659 506 135 C ATOM 790 O4' DA C 8 -5.210 8.157 -2.801 1.00 49.55 O ANISOU 790 O4' DA C 8 8224 6204 4397 1657 199 128 O ATOM 791 C3' DA C 8 -5.526 6.638 -0.988 1.00 51.51 C ANISOU 791 C3' DA C 8 9495 6031 4045 1651 572 313 C ATOM 792 O3' DA C 8 -6.792 5.999 -1.005 1.00 55.22 O ANISOU 792 O3' DA C 8 9855 6420 4707 1542 1318 277 O ATOM 793 C2' DA C 8 -4.504 6.073 -1.980 1.00 49.09 C ANISOU 793 C2' DA C 8 8669 5862 4119 1647 113 383 C ATOM 794 C1' DA C 8 -4.681 6.923 -3.238 1.00 45.99 C ANISOU 794 C1' DA C 8 7622 5742 4110 1641 109 248 C ATOM 795 N9 DA C 8 -3.446 7.248 -3.953 1.00 43.79 N ANISOU 795 N9 DA C 8 7021 5497 4120 1705 -292 318 N ATOM 796 C8 DA C 8 -2.293 7.737 -3.401 1.00 47.49 C ANISOU 796 C8 DA C 8 7582 5781 4680 1741 -774 367 C ATOM 797 N7 DA C 8 -1.339 7.996 -4.264 1.00 45.75 N ANISOU 797 N7 DA C 8 6885 5527 4971 1774 -893 425 N ATOM 798 C5 DA C 8 -1.911 7.672 -5.481 1.00 40.71 C ANISOU 798 C5 DA C 8 6003 5090 4374 1816 -462 435 C ATOM 799 C6 DA C 8 -1.413 7.734 -6.797 1.00 41.77 C ANISOU 799 C6 DA C 8 5821 5225 4826 1937 -237 513 C ATOM 800 N6 DA C 8 -0.185 8.178 -7.082 1.00 44.80 N ANISOU 800 N6 DA C 8 5913 5375 5734 1968 -263 632 N ATOM 801 N1 DA C 8 -2.233 7.361 -7.805 1.00 36.23 N ANISOU 801 N1 DA C 8 5152 4681 3932 2061 35 443 N ATOM 802 C2 DA C 8 -3.456 6.919 -7.485 1.00 36.57 C ANISOU 802 C2 DA C 8 5315 4855 3725 1999 51 276 C ATOM 803 N3 DA C 8 -4.044 6.841 -6.287 1.00 39.52 N ANISOU 803 N3 DA C 8 5863 5214 3938 1836 32 222 N ATOM 804 C4 DA C 8 -3.213 7.235 -5.313 1.00 39.64 C ANISOU 804 C4 DA C 8 6055 5095 3912 1775 -209 327 C ATOM 805 P DT C 9 -6.967 4.444 -0.694 1.00 59.66 P ANISOU 805 P DT C 9 10652 6714 5302 1475 1701 446 P ATOM 806 OP1 DT C 9 -8.368 4.232 -0.272 1.00 66.94 O ANISOU 806 OP1 DT C 9 11592 7371 6470 1366 2644 387 O ATOM 807 OP2 DT C 9 -5.845 4.029 0.176 1.00 60.68 O ANISOU 807 OP2 DT C 9 11575 6633 4849 1641 1248 667 O ATOM 808 O5' DT C 9 -6.773 3.787 -2.137 1.00 58.23 O ANISOU 808 O5' DT C 9 9633 6773 5718 1396 1414 354 O ATOM 809 C5' DT C 9 -7.870 3.682 -3.034 1.00 58.21 C ANISOU 809 C5' DT C 9 8948 6838 6331 1299 1690 102 C ATOM 810 C4' DT C 9 -7.487 2.763 -4.178 1.00 55.91 C ANISOU 810 C4' DT C 9 8237 6638 6368 1313 1352 45 C ATOM 811 O4' DT C 9 -6.363 3.349 -4.880 1.00 51.58 O ANISOU 811 O4' DT C 9 7628 6352 5618 1472 805 102 O ATOM 812 C3' DT C 9 -7.008 1.378 -3.747 1.00 58.60 C ANISOU 812 C3' DT C 9 8885 6728 6651 1258 1454 257 C ATOM 813 O3' DT C 9 -7.355 0.437 -4.743 1.00 61.63 O ANISOU 813 O3' DT C 9 8795 7067 7556 1217 1405 75 O ATOM 814 C2' DT C 9 -5.493 1.530 -3.716 1.00 53.46 C ANISOU 814 C2' DT C 9 8492 6205 5616 1412 885 461 C ATOM 815 C1' DT C 9 -5.354 2.366 -4.979 1.00 48.19 C ANISOU 815 C1' DT C 9 7313 5848 5150 1508 595 280 C ATOM 816 N1 DT C 9 -4.027 3.000 -5.167 1.00 44.17 N ANISOU 816 N1 DT C 9 6813 5440 4531 1639 184 413 N ATOM 817 C2 DT C 9 -3.584 3.161 -6.457 1.00 43.63 C ANISOU 817 C2 DT C 9 6411 5499 4666 1777 82 362 C ATOM 818 O2 DT C 9 -4.273 2.919 -7.432 1.00 46.57 O ANISOU 818 O2 DT C 9 6609 5938 5148 1850 171 179 O ATOM 819 N3 DT C 9 -2.328 3.689 -6.568 1.00 42.76 N ANISOU 819 N3 DT C 9 6221 5355 4669 1865 -127 507 N ATOM 820 C4 DT C 9 -1.493 4.042 -5.531 1.00 43.20 C ANISOU 820 C4 DT C 9 6420 5263 4733 1832 -444 621 C ATOM 821 O4 DT C 9 -0.411 4.574 -5.736 1.00 48.71 O ANISOU 821 O4 DT C 9 6869 5853 5786 1896 -644 685 O ATOM 822 C5 DT C 9 -2.003 3.820 -4.202 1.00 44.78 C ANISOU 822 C5 DT C 9 7121 5352 4542 1753 -506 633 C ATOM 823 C7 DT C 9 -1.170 4.210 -3.017 1.00 42.78 C ANISOU 823 C7 DT C 9 7250 4863 4142 1822 -1031 686 C ATOM 824 C6 DT C 9 -3.238 3.315 -4.079 1.00 45.35 C ANISOU 824 C6 DT C 9 7340 5453 4438 1659 -83 566 C ATOM 825 P DG C 10 -8.449 -0.676 -4.415 1.00 67.01 P ANISOU 825 P DG C 10 9323 7315 8823 1004 2000 -12 P ATOM 826 OP1 DG C 10 -9.621 0.055 -3.875 1.00 69.73 O ANISOU 826 OP1 DG C 10 9510 7517 9465 897 2544 -149 O ATOM 827 OP2 DG C 10 -7.781 -1.752 -3.648 1.00 63.04 O ANISOU 827 OP2 DG C 10 9391 6534 8026 981 2187 326 O ATOM 828 O5' DG C 10 -8.822 -1.264 -5.858 1.00 65.29 O ANISOU 828 O5' DG C 10 8460 7120 9227 1041 1588 -394 O ATOM 829 C5' DG C 10 -9.071 -0.378 -6.944 1.00 60.07 C ANISOU 829 C5' DG C 10 7448 6739 8639 1232 1088 -708 C ATOM 830 C4' DG C 10 -8.413 -0.878 -8.220 1.00 58.87 C ANISOU 830 C4' DG C 10 7296 6698 8375 1471 527 -830 C ATOM 831 O4' DG C 10 -7.039 -0.425 -8.301 1.00 52.06 O ANISOU 831 O4' DG C 10 6812 6105 6864 1638 380 -506 O ATOM 832 C3' DG C 10 -8.369 -2.391 -8.410 1.00 63.96 C ANISOU 832 C3' DG C 10 7898 7034 9371 1390 544 -887 C ATOM 833 O3' DG C 10 -8.611 -2.669 -9.787 1.00 66.34 O ANISOU 833 O3' DG C 10 8038 7303 9865 1644 -20 -1298 O ATOM 834 C2' DG C 10 -6.951 -2.755 -7.973 1.00 58.23 C ANISOU 834 C2' DG C 10 7639 6405 8083 1438 603 -442 C ATOM 835 C1' DG C 10 -6.165 -1.533 -8.437 1.00 54.30 C ANISOU 835 C1' DG C 10 7265 6275 7091 1672 340 -346 C ATOM 836 N9 DG C 10 -4.987 -1.237 -7.632 1.00 50.07 N ANISOU 836 N9 DG C 10 7023 5821 6181 1669 383 43 N ATOM 837 C8 DG C 10 -4.872 -1.351 -6.267 1.00 55.13 C ANISOU 837 C8 DG C 10 7970 6319 6656 1513 582 290 C ATOM 838 N7 DG C 10 -3.735 -0.919 -5.794 1.00 52.69 N ANISOU 838 N7 DG C 10 7883 6067 6070 1610 344 524 N ATOM 839 C5 DG C 10 -3.080 -0.435 -6.920 1.00 49.41 C ANISOU 839 C5 DG C 10 7186 5838 5749 1787 143 461 C ATOM 840 C6 DG C 10 -1.798 0.149 -7.030 1.00 48.94 C ANISOU 840 C6 DG C 10 7053 5809 5733 1921 -71 617 C ATOM 841 O6 DG C 10 -0.975 0.360 -6.126 1.00 52.94 O ANISOU 841 O6 DG C 10 7681 6198 6237 1919 -333 779 O ATOM 842 N1 DG C 10 -1.483 0.460 -8.348 1.00 42.61 N ANISOU 842 N1 DG C 10 6045 5091 5054 2111 28 547 N ATOM 843 C2 DG C 10 -2.308 0.230 -9.421 1.00 44.89 C ANISOU 843 C2 DG C 10 6352 5440 5265 2230 132 317 C ATOM 844 N2 DG C 10 -1.812 0.604 -10.607 1.00 42.09 N ANISOU 844 N2 DG C 10 6046 5080 4865 2513 261 312 N ATOM 845 N3 DG C 10 -3.526 -0.301 -9.335 1.00 45.67 N ANISOU 845 N3 DG C 10 6447 5516 5388 2116 112 88 N ATOM 846 C4 DG C 10 -3.841 -0.609 -8.055 1.00 46.95 C ANISOU 846 C4 DG C 10 6671 5587 5582 1860 197 193 C ATOM 847 P DG C 11 -8.753 -4.160 -10.348 1.00 74.07 P ANISOU 847 P DG C 11 8921 7913 11310 1641 -214 -1550 P ATOM 848 OP1 DG C 11 -9.744 -4.139 -11.447 1.00 80.18 O ANISOU 848 OP1 DG C 11 9387 8502 12576 1851 -858 -2176 O ATOM 849 OP2 DG C 11 -8.910 -5.092 -9.209 1.00 79.32 O ANISOU 849 OP2 DG C 11 9516 8244 12379 1266 389 -1312 O ATOM 850 O5' DG C 11 -7.315 -4.399 -10.997 1.00 69.38 O ANISOU 850 O5' DG C 11 8844 7521 9996 1948 -377 -1304 O ATOM 851 C5' DG C 11 -6.844 -3.400 -11.889 1.00 66.05 C ANISOU 851 C5' DG C 11 8704 7383 9011 2322 -639 -1319 C ATOM 852 C4' DG C 11 -5.458 -3.768 -12.360 1.00 59.25 C ANISOU 852 C4' DG C 11 8241 6570 7701 2564 -527 -1042 C ATOM 853 O4' DG C 11 -4.516 -3.269 -11.383 1.00 54.32 O ANISOU 853 O4' DG C 11 7609 6128 6904 2394 -175 -562 O ATOM 854 C3' DG C 11 -5.261 -5.274 -12.437 1.00 61.93 C ANISOU 854 C3' DG C 11 8609 6607 8316 2521 -534 -1107 C ATOM 855 O3' DG C 11 -4.625 -5.575 -13.667 1.00 67.09 O ANISOU 855 O3' DG C 11 9688 7186 8618 2965 -676 -1221 O ATOM 856 C2' DG C 11 -4.421 -5.593 -11.203 1.00 57.35 C ANISOU 856 C2' DG C 11 7992 6041 7755 2254 -144 -620 C ATOM 857 C1' DG C 11 -3.627 -4.304 -11.050 1.00 50.95 C ANISOU 857 C1' DG C 11 7254 5543 6563 2355 -38 -332 C ATOM 858 N9 DG C 11 -3.107 -4.047 -9.716 1.00 47.57 N ANISOU 858 N9 DG C 11 6802 5161 6113 2125 117 32 N ATOM 859 C8 DG C 11 -3.660 -4.399 -8.508 1.00 52.61 C ANISOU 859 C8 DG C 11 7479 5658 6855 1837 264 135 C ATOM 860 N7 DG C 11 -2.928 -4.058 -7.480 1.00 51.53 N ANISOU 860 N7 DG C 11 7538 5534 6508 1798 260 451 N ATOM 861 C5 DG C 11 -1.814 -3.444 -8.046 1.00 48.65 C ANISOU 861 C5 DG C 11 7066 5321 6097 2013 85 536 C ATOM 862 C6 DG C 11 -0.670 -2.876 -7.433 1.00 47.10 C ANISOU 862 C6 DG C 11 6874 5120 5901 2078 -115 770 C ATOM 863 O6 DG C 11 -0.393 -2.787 -6.229 1.00 50.02 O ANISOU 863 O6 DG C 11 7490 5375 6142 2016 -320 933 O ATOM 864 N1 DG C 11 0.218 -2.377 -8.378 1.00 46.20 N ANISOU 864 N1 DG C 11 6496 5057 6001 2278 -76 781 N ATOM 865 C2 DG C 11 0.016 -2.414 -9.740 1.00 48.06 C ANISOU 865 C2 DG C 11 6705 5347 6210 2465 172 625 C ATOM 866 N2 DG C 11 0.967 -1.849 -10.496 1.00 47.08 N ANISOU 866 N2 DG C 11 6444 5167 6276 2683 396 720 N ATOM 867 N3 DG C 11 -1.039 -2.961 -10.330 1.00 45.63 N ANISOU 867 N3 DG C 11 6540 5055 5741 2478 194 371 N ATOM 868 C4 DG C 11 -1.917 -3.433 -9.420 1.00 44.97 C ANISOU 868 C4 DG C 11 6489 4925 5671 2212 120 322 C ATOM 869 P DC C 12 -4.442 -7.082 -14.167 1.00 76.61 P ANISOU 869 P DC C 12 11061 8032 10015 3081 -794 -1417 P ATOM 870 OP1 DC C 12 -4.810 -7.155 -15.597 1.00 81.84 O ANISOU 870 OP1 DC C 12 12207 8518 10370 3581 -1261 -1896 O ATOM 871 OP2 DC C 12 -5.084 -8.000 -13.200 1.00 81.22 O ANISOU 871 OP2 DC C 12 11230 8377 11251 2629 -743 -1449 O ATOM 872 O5' DC C 12 -2.854 -7.216 -14.038 1.00 74.52 O ANISOU 872 O5' DC C 12 10975 7834 9504 3209 -320 -928 O ATOM 873 C5' DC C 12 -2.077 -6.135 -14.545 1.00 69.26 C ANISOU 873 C5' DC C 12 10534 7357 8426 3497 -54 -713 C ATOM 874 C4' DC C 12 -0.685 -6.094 -13.944 1.00 66.59 C ANISOU 874 C4' DC C 12 9992 7039 8272 3436 371 -239 C ATOM 875 O4' DC C 12 -0.763 -5.614 -12.588 1.00 64.27 O ANISOU 875 O4' DC C 12 9314 6920 8184 3030 301 -7 O ATOM 876 C3' DC C 12 0.031 -7.425 -13.782 1.00 68.12 C ANISOU 876 C3' DC C 12 10151 6962 8771 3457 462 -146 C ATOM 877 O3' DC C 12 0.698 -7.755 -14.994 1.00 70.09 O ANISOU 877 O3' DC C 12 10791 6995 8845 3925 767 -215 O ATOM 878 C2' DC C 12 1.033 -7.135 -12.665 1.00 65.66 C ANISOU 878 C2' DC C 12 9450 6697 8800 3261 571 269 C ATOM 879 C1' DC C 12 0.480 -5.888 -11.982 1.00 61.15 C ANISOU 879 C1' DC C 12 8730 6420 8084 3011 441 326 C ATOM 880 N1 DC C 12 0.191 -6.084 -10.549 1.00 58.37 N ANISOU 880 N1 DC C 12 8264 6075 7837 2665 218 470 N ATOM 881 C2 DC C 12 1.106 -5.662 -9.581 1.00 57.36 C ANISOU 881 C2 DC C 12 7990 5929 7874 2608 91 755 C ATOM 882 O2 DC C 12 2.155 -5.121 -9.947 1.00 57.11 O ANISOU 882 O2 DC C 12 7724 5865 8110 2785 187 865 O ATOM 883 N3 DC C 12 0.789 -5.835 -8.273 1.00 54.90 N ANISOU 883 N3 DC C 12 7847 5556 7455 2395 -122 880 N ATOM 884 C4 DC C 12 -0.370 -6.415 -7.947 1.00 56.54 C ANISOU 884 C4 DC C 12 8266 5698 7518 2197 -8 780 C ATOM 885 N4 DC C 12 -0.654 -6.607 -6.658 1.00 56.37 N ANISOU 885 N4 DC C 12 8572 5519 7327 2043 -30 959 N ATOM 886 C5 DC C 12 -1.313 -6.845 -8.923 1.00 57.32 C ANISOU 886 C5 DC C 12 8293 5792 7693 2181 136 465 C ATOM 887 C6 DC C 12 -1.001 -6.643 -10.204 1.00 57.68 C ANISOU 887 C6 DC C 12 8265 5928 7722 2442 144 294 C TER 888 DC C 12 HETATM 889 ZN ZN A 300 -13.591 6.059 -24.760 1.00 46.24 ZN ANISOU 889 ZN ZN A 300 3741 8970 4858 -149 437 -258 ZN HETATM 890 ZN ZN A 301 0.504 12.712 -24.991 1.00 41.20 ZN ANISOU 890 ZN ZN A 301 4043 6744 4869 41 331 345 ZN HETATM 891 O HOH A 2 -14.886 -0.919 -19.940 1.00 22.73 O HETATM 892 O HOH A 5 -10.094 8.638 -19.926 1.00 17.74 O HETATM 893 O HOH A 6 -14.306 1.460 -17.047 1.00 20.85 O HETATM 894 O HOH A 9 -8.393 13.798 -26.409 1.00 24.54 O HETATM 895 O HOH B 13 -5.740 11.044 -16.953 1.00 73.31 O HETATM 896 O HOH B 14 -11.882 25.444 -2.577 1.00 21.30 O HETATM 897 O HOH C 13 -1.290 -0.249 -3.751 1.00 21.13 O CONECT 30 889 CONECT 45 889 CONECT 61 889 CONECT 113 890 CONECT 133 890 CONECT 158 890 CONECT 277 890 CONECT 322 889 CONECT 889 30 45 61 322 CONECT 890 113 133 158 277 MASTER 438 0 2 4 0 0 2 6 894 3 10 9 END
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Related entries of code: 3qmh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3qmh
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
CXXC Domain of CFP1
Ligand Name
DNA (nonmethylated CpG island) 5-GCCATCGATGGC-3
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=17uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Nat Commun Vol. 2: pp. 227-227
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):
Q9P0U4
Entrez Gene ID
NCBI Entrez Gene ID:
30827
ASD
Information of known allosteric effects of PDB entries
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