Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 04-FEB-11 3QMI TITLE STRUCTURAL BASIS OF SELECTIVE BINDING OF NON-METHYLATED CPG ISLANDS TITLE 2 (DNA-ACGT) 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*AP*CP*GP*TP*TP*GP*GP*C)-3'; COMPND 10 CHAIN: B, C; COMPND 11 FRAGMENT: DNA (NONMETHYLATED CPG ISLAND); COMPND 12 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 3QMI 1 JRNL REVDAT 2 16-MAR-11 3QMI 1 JRNL REVDAT 1 23-FEB-11 3QMI 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. 2.10 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) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 3 NUMBER OF REFLECTIONS : 8362 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) : 0.209 REMARK 3 R VALUE (WORKING SET) : 0.207 REMARK 3 FREE R VALUE : 0.258 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 420 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) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.15 REMARK 3 REFLECTION IN BIN (WORKING SET) : 558 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.67 REMARK 3 BIN R VALUE (WORKING SET) : 0.2780 REMARK 3 BIN FREE R VALUE SET COUNT : 25 REMARK 3 BIN FREE R VALUE : 0.2170 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 402 REMARK 3 NUCLEIC ACID ATOMS : 486 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 33 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.21 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.17000 REMARK 3 B22 (A**2) : 0.13000 REMARK 3 B33 (A**2) : 0.04000 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): 0.186 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.124 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.463 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.953 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.939 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 970 ; 0.005 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1394 ; 1.361 ; 2.596 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 51 ; 8.157 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 21 ;31.595 ;20.476 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 78 ;14.193 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;16.281 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 146 ; 0.078 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 564 ; 0.022 ; 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): 256 ; 1.564 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 399 ; 2.231 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 714 ; 3.559 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 995 ; 4.679 ; 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): -4.1023 -11.0135 21.8801 REMARK 3 T TENSOR REMARK 3 T11: 0.0237 T22: 0.2133 REMARK 3 T33: 0.0568 T12: -0.0341 REMARK 3 T13: -0.0162 T23: 0.0332 REMARK 3 L TENSOR REMARK 3 L11: 3.3128 L22: 1.5018 REMARK 3 L33: 6.2860 L12: 0.2027 REMARK 3 L13: -0.4025 L23: 0.7670 REMARK 3 S TENSOR REMARK 3 S11: 0.0267 S12: -0.1913 S13: -0.0438 REMARK 3 S21: 0.0494 S22: 0.1271 S23: 0.0274 REMARK 3 S31: 0.2696 S32: -0.0638 S33: -0.1538 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): -3.1161 -12.6201 7.6954 REMARK 3 T TENSOR REMARK 3 T11: 0.2457 T22: 0.2084 REMARK 3 T33: 0.1255 T12: -0.0432 REMARK 3 T13: -0.0072 T23: 0.0017 REMARK 3 L TENSOR REMARK 3 L11: 2.9102 L22: 5.7273 REMARK 3 L33: 1.6208 L12: 2.4324 REMARK 3 L13: -0.5577 L23: -1.8378 REMARK 3 S TENSOR REMARK 3 S11: 0.1374 S12: -0.1652 S13: -0.1359 REMARK 3 S21: -0.5314 S22: -0.2705 S23: -0.1659 REMARK 3 S31: -0.0224 S32: -0.1112 S33: 0.1331 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): -4.1469 -11.8690 8.4577 REMARK 3 T TENSOR REMARK 3 T11: 0.1487 T22: 0.1585 REMARK 3 T33: 0.0441 T12: -0.1012 REMARK 3 T13: -0.0210 T23: -0.0037 REMARK 3 L TENSOR REMARK 3 L11: 1.5039 L22: 9.0857 REMARK 3 L33: 1.0101 L12: 1.5769 REMARK 3 L13: -0.4883 L23: -0.3138 REMARK 3 S TENSOR REMARK 3 S11: 0.2062 S12: 0.0148 S13: -0.0048 REMARK 3 S21: 0.0364 S22: -0.2703 S23: 0.0767 REMARK 3 S31: 0.0911 S32: -0.0865 S33: 0.0641 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 3QMI 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 RCSB063831. 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 : 8362 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 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 (%): 42.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 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 62.95250 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 62.95250 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 15.31200 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 37.50450 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 15.31200 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 37.50450 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 62.95250 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 15.31200 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 37.50450 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 62.95250 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 15.31200 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 37.50450 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: 2900 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7330 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 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 TYR A 218 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 173 CG CD OE1 OE2 REMARK 470 ARG A 188 NE CZ NH1 NH2 REMARK 470 LYS A 191 CG CD CE NZ REMARK 470 LYS A 198 CG CD CE NZ REMARK 470 GLU A 214 CG CD OE1 OE2 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 DA B 5 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT B 8 N3 - C4 - O4 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT B 8 C5 - C4 - O4 ANGL. DEV. = -4.6 DEGREES REMARK 500 DC C 3 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DC C 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT C 9 C3' - C2' - C1' ANGL. DEV. = -5.3 DEGREES REMARK 500 DC C 12 O4' - C4' - C3' ANGL. DEV. = -2.7 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 GLU A 171 14.44 -141.07 REMARK 500 CYS A 203 135.53 -33.56 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 301 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 203 SG REMARK 620 2 CYS A 181 SG 106.4 REMARK 620 3 CYS A 184 SG 119.9 108.1 REMARK 620 4 CYS A 187 SG 101.3 118.2 103.5 REMARK 620 N 1 2 3 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 208 SG REMARK 620 2 CYS A 175 SG 102.8 REMARK 620 3 CYS A 172 SG 118.7 107.0 REMARK 620 4 CYS A 169 SG 102.7 116.7 109.3 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 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 C 13 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: 3QMH RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED WITH A DIFFERENT UNMETHYLATED REMARK 900 CPG DNA. DBREF 3QMI A 161 222 UNP Q9P0U4 CXXC1_HUMAN 161 222 DBREF 3QMI B 1 12 PDB 3QMI 3QMI 1 12 DBREF 3QMI C 1 12 PDB 3QMI 3QMI 1 12 SEQADV 3QMI MET A 144 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 145 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 146 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 147 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 148 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 149 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI HIS A 150 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI SER A 151 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI SER A 152 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI ARG A 153 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI GLU A 154 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI ASN A 155 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI LEU A 156 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI TYR A 157 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI PHE A 158 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI GLN A 159 UNP Q9P0U4 EXPRESSION TAG SEQADV 3QMI 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 DA DC DG DT DT DG DG DC SEQRES 1 C 12 DG DC DC DA DA DC DG DT DT DG DG DC HET ZN A 300 1 HET ZN A 301 1 HET PEG A 1 7 HET PEG A 2 7 HET PO4 C 13 5 HETNAM ZN ZINC ION HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM PO4 PHOSPHATE ION FORMUL 4 ZN 2(ZN 2+) FORMUL 6 PEG 2(C4 H10 O3) FORMUL 8 PO4 O4 P 3- FORMUL 9 HOH *33(H2 O) HELIX 1 1 CYS A 172 ARG A 177 1 6 HELIX 2 2 CYS A 184 MET A 190 1 7 HELIX 3 3 LYS A 191 GLY A 194 5 4 HELIX 4 4 CYS A 203 GLN A 207 5 5 HELIX 5 5 ARG A 213 LYS A 217 5 5 LINK SG CYS A 203 ZN ZN A 301 1555 1555 2.30 LINK SG CYS A 181 ZN ZN A 301 1555 1555 2.31 LINK SG CYS A 208 ZN ZN A 300 1555 1555 2.34 LINK SG CYS A 184 ZN ZN A 301 1555 1555 2.34 LINK SG CYS A 175 ZN ZN A 300 1555 1555 2.35 LINK SG CYS A 172 ZN ZN A 300 1555 1555 2.35 LINK SG CYS A 169 ZN ZN A 300 1555 1555 2.40 LINK SG CYS A 187 ZN ZN A 301 1555 1555 2.43 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 SITE 1 AC3 2 HIS A 183 LYS A 217 SITE 1 AC4 3 ALA A 166 ARG A 167 MET A 168 SITE 1 AC5 4 DG C 10 DG C 11 HOH C 21 HOH C 26 CRYST1 30.624 75.009 125.905 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 0.032654 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013332 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007942 0.00000 ATOM 1 N ALA A 166 -15.465 -4.145 17.128 1.00 17.00 N ATOM 2 CA ALA A 166 -15.671 -5.117 15.997 1.00 20.23 C ATOM 3 C ALA A 166 -15.165 -6.515 16.366 1.00 19.03 C ATOM 4 O ALA A 166 -15.942 -7.469 16.451 1.00 17.32 O ATOM 5 CB ALA A 166 -14.982 -4.630 14.747 1.00 16.64 C ATOM 6 N ARG A 167 -13.862 -6.616 16.623 1.00 18.69 N ATOM 7 CA ARG A 167 -13.351 -7.635 17.532 1.00 15.19 C ATOM 8 C ARG A 167 -12.997 -7.067 18.904 1.00 14.61 C ATOM 9 O ARG A 167 -12.352 -7.749 19.704 1.00 13.82 O ATOM 10 CB ARG A 167 -12.157 -8.361 16.905 1.00 14.30 C ATOM 11 CG ARG A 167 -12.527 -9.194 15.676 1.00 16.94 C ATOM 12 CD ARG A 167 -13.471 -10.346 16.026 1.00 13.36 C ATOM 13 NE ARG A 167 -13.836 -11.129 14.844 1.00 19.12 N ATOM 14 CZ ARG A 167 -14.587 -12.228 14.871 1.00 24.87 C ATOM 15 NH1 ARG A 167 -15.059 -12.696 16.024 1.00 18.15 N ATOM 16 NH2 ARG A 167 -14.929 -12.822 13.737 1.00 23.50 N ATOM 17 N MET A 168 -13.410 -5.826 19.176 1.00 14.17 N ATOM 18 CA MET A 168 -13.154 -5.196 20.483 1.00 12.53 C ATOM 19 C MET A 168 -14.378 -4.503 21.071 1.00 13.82 C ATOM 20 O MET A 168 -14.882 -3.543 20.486 1.00 12.31 O ATOM 21 CB MET A 168 -12.004 -4.189 20.390 1.00 14.46 C ATOM 22 CG MET A 168 -10.668 -4.833 20.064 1.00 14.06 C ATOM 23 SD MET A 168 -9.270 -3.674 20.123 1.00 25.10 S ATOM 24 CE MET A 168 -9.429 -2.986 21.781 1.00 19.16 C ATOM 25 N CYS A 169 -14.768 -4.883 22.287 1.00 10.23 N ATOM 26 CA CYS A 169 -15.926 -4.241 22.908 1.00 13.13 C ATOM 27 C CYS A 169 -15.435 -2.946 23.540 1.00 12.56 C ATOM 28 O CYS A 169 -16.206 -2.022 23.778 1.00 10.37 O ATOM 29 CB CYS A 169 -16.570 -5.147 23.964 1.00 13.03 C ATOM 30 SG CYS A 169 -15.612 -5.266 25.516 1.00 14.25 S ATOM 31 N GLY A 170 -14.136 -2.904 23.814 1.00 13.36 N ATOM 32 CA GLY A 170 -13.477 -1.707 24.318 1.00 13.31 C ATOM 33 C GLY A 170 -13.696 -1.447 25.796 1.00 13.25 C ATOM 34 O GLY A 170 -13.305 -0.404 26.296 1.00 14.11 O ATOM 35 N GLU A 171 -14.379 -2.349 26.496 1.00 12.96 N ATOM 36 CA GLU A 171 -14.565 -2.149 27.930 1.00 14.11 C ATOM 37 C GLU A 171 -14.476 -3.388 28.810 1.00 14.17 C ATOM 38 O GLU A 171 -14.939 -3.368 29.949 1.00 16.28 O ATOM 39 CB GLU A 171 -15.867 -1.398 28.211 1.00 13.55 C ATOM 40 CG GLU A 171 -16.952 -1.666 27.194 1.00 14.52 C ATOM 41 CD GLU A 171 -18.250 -0.930 27.492 1.00 24.28 C ATOM 42 OE1 GLU A 171 -18.333 -0.212 28.513 1.00 25.33 O ATOM 43 OE2 GLU A 171 -19.217 -1.129 26.732 1.00 22.73 O ATOM 44 N CYS A 172 -13.958 -4.490 28.286 1.00 12.86 N ATOM 45 CA CYS A 172 -13.666 -5.621 29.165 1.00 13.26 C ATOM 46 C CYS A 172 -12.209 -5.523 29.612 1.00 15.02 C ATOM 47 O CYS A 172 -11.466 -4.644 29.154 1.00 13.35 O ATOM 48 CB CYS A 172 -13.925 -6.950 28.452 1.00 11.88 C ATOM 49 SG CYS A 172 -12.735 -7.295 27.132 1.00 13.58 S ATOM 50 N GLU A 173 -11.821 -6.402 30.533 1.00 16.15 N ATOM 51 CA GLU A 173 -10.454 -6.440 31.049 1.00 16.32 C ATOM 52 C GLU A 173 -9.426 -6.597 29.917 1.00 17.24 C ATOM 53 O GLU A 173 -8.432 -5.859 29.855 1.00 14.61 O ATOM 54 CB GLU A 173 -10.315 -7.563 32.085 1.00 17.31 C ATOM 55 N ALA A 174 -9.732 -7.480 28.967 1.00 17.21 N ATOM 56 CA ALA A 174 -8.837 -7.774 27.840 1.00 14.33 C ATOM 57 C ALA A 174 -8.648 -6.569 26.931 1.00 14.60 C ATOM 58 O ALA A 174 -7.515 -6.192 26.626 1.00 11.39 O ATOM 59 CB ALA A 174 -9.343 -8.974 27.049 1.00 14.02 C ATOM 60 N CYS A 175 -9.740 -5.864 26.640 1.00 14.44 N ATOM 61 CA CYS A 175 -9.652 -4.618 25.875 1.00 14.74 C ATOM 62 C CYS A 175 -8.879 -3.496 26.578 1.00 13.93 C ATOM 63 O CYS A 175 -8.207 -2.703 25.926 1.00 13.27 O ATOM 64 CB CYS A 175 -11.032 -4.124 25.431 1.00 14.25 C ATOM 65 SG CYS A 175 -11.809 -5.144 24.170 1.00 14.85 S ATOM 66 N ARG A 176 -8.940 -3.428 27.902 1.00 14.12 N ATOM 67 CA ARG A 176 -8.256 -2.337 28.593 1.00 15.16 C ATOM 68 C ARG A 176 -6.763 -2.579 28.811 1.00 15.58 C ATOM 69 O ARG A 176 -6.015 -1.635 29.035 1.00 15.54 O ATOM 70 CB ARG A 176 -8.943 -2.002 29.909 1.00 14.42 C ATOM 71 CG ARG A 176 -10.308 -1.360 29.714 1.00 20.95 C ATOM 72 CD ARG A 176 -10.858 -0.871 31.039 1.00 23.73 C ATOM 73 NE ARG A 176 -10.867 -1.947 32.024 1.00 27.68 N ATOM 74 CZ ARG A 176 -11.926 -2.713 32.273 1.00 30.14 C ATOM 75 NH1 ARG A 176 -13.064 -2.498 31.624 1.00 24.73 N ATOM 76 NH2 ARG A 176 -11.860 -3.664 33.195 1.00 29.71 N ATOM 77 N ARG A 177 -6.323 -3.819 28.616 1.00 15.23 N ATOM 78 CA ARG A 177 -4.933 -4.202 28.832 1.00 17.19 C ATOM 79 C ARG A 177 -4.039 -3.474 27.845 1.00 17.71 C ATOM 80 O ARG A 177 -4.335 -3.452 26.652 1.00 17.13 O ATOM 81 CB ARG A 177 -4.767 -5.697 28.588 1.00 17.48 C ATOM 82 CG ARG A 177 -5.208 -6.539 29.751 1.00 25.61 C ATOM 83 CD ARG A 177 -4.682 -7.954 29.623 1.00 33.86 C ATOM 84 NE ARG A 177 -5.288 -8.763 30.670 1.00 35.85 N ATOM 85 CZ ARG A 177 -4.879 -8.754 31.932 1.00 33.60 C ATOM 86 NH1 ARG A 177 -3.738 -8.143 32.257 1.00 34.93 N ATOM 87 NH2 ARG A 177 -5.557 -9.439 32.838 1.00 28.36 N ATOM 88 N THR A 178 -2.892 -3.000 28.316 1.00 14.86 N ATOM 89 CA THR A 178 -1.912 -2.388 27.419 1.00 16.37 C ATOM 90 C THR A 178 -0.632 -3.201 27.233 1.00 16.93 C ATOM 91 O THR A 178 0.146 -2.936 26.310 1.00 16.71 O ATOM 92 CB THR A 178 -1.563 -0.950 27.823 1.00 15.87 C ATOM 93 OG1 THR A 178 -0.885 -0.953 29.089 1.00 20.31 O ATOM 94 CG2 THR A 178 -2.835 -0.090 27.919 1.00 17.34 C ATOM 95 N GLU A 179 -0.434 -4.224 28.060 1.00 13.50 N ATOM 96 CA GLU A 179 0.860 -4.909 28.083 1.00 14.84 C ATOM 97 C GLU A 179 0.691 -6.351 27.641 1.00 15.84 C ATOM 98 O GLU A 179 -0.226 -7.044 28.109 1.00 17.99 O ATOM 99 CB GLU A 179 1.484 -4.838 29.476 1.00 13.38 C ATOM 100 CG GLU A 179 1.853 -3.412 29.892 1.00 16.96 C ATOM 101 CD GLU A 179 2.054 -3.261 31.390 1.00 17.28 C ATOM 102 OE1 GLU A 179 1.851 -4.251 32.123 1.00 15.59 O ATOM 103 OE2 GLU A 179 2.354 -2.134 31.843 1.00 19.36 O ATOM 104 N ASP A 180 1.436 -6.738 26.611 1.00 14.38 N ATOM 105 CA ASP A 180 1.450 -8.135 26.174 1.00 15.84 C ATOM 106 C ASP A 180 2.069 -8.990 27.277 1.00 14.58 C ATOM 107 O ASP A 180 3.049 -8.580 27.888 1.00 13.85 O ATOM 108 CB ASP A 180 2.285 -8.294 24.903 1.00 17.16 C ATOM 109 CG ASP A 180 1.740 -7.495 23.735 1.00 16.94 C ATOM 110 OD1 ASP A 180 0.505 -7.413 23.559 1.00 14.85 O ATOM 111 OD2 ASP A 180 2.567 -6.980 22.958 1.00 21.72 O ATOM 112 N CYS A 181 1.559 -10.203 27.469 1.00 15.16 N ATOM 113 CA CYS A 181 1.987 -11.042 28.590 1.00 14.45 C ATOM 114 C CYS A 181 3.378 -11.598 28.353 1.00 15.29 C ATOM 115 O CYS A 181 4.131 -11.849 29.296 1.00 13.09 O ATOM 116 CB CYS A 181 0.989 -12.181 28.849 1.00 13.20 C ATOM 117 SG CYS A 181 1.109 -13.600 27.724 1.00 12.24 S ATOM 118 N GLY A 182 3.734 -11.767 27.084 1.00 14.46 N ATOM 119 CA GLY A 182 5.091 -12.152 26.759 1.00 13.83 C ATOM 120 C GLY A 182 5.318 -13.646 26.779 1.00 14.48 C ATOM 121 O GLY A 182 6.378 -14.105 26.373 1.00 12.58 O ATOM 122 N HIS A 183 4.286 -14.418 27.113 1.00 15.45 N ATOM 123 CA HIS A 183 4.476 -15.840 27.403 1.00 17.27 C ATOM 124 C HIS A 183 3.517 -16.793 26.703 1.00 18.75 C ATOM 125 O HIS A 183 3.745 -18.001 26.734 1.00 19.35 O ATOM 126 CB HIS A 183 4.419 -16.107 28.909 1.00 20.23 C ATOM 127 CG HIS A 183 5.513 -15.442 29.685 1.00 24.18 C ATOM 128 ND1 HIS A 183 5.469 -14.110 30.039 1.00 28.06 N ATOM 129 CD2 HIS A 183 6.664 -15.932 30.205 1.00 29.98 C ATOM 130 CE1 HIS A 183 6.536 -13.812 30.760 1.00 28.94 C ATOM 131 NE2 HIS A 183 7.272 -14.903 30.883 1.00 29.23 N ATOM 132 N CYS A 184 2.397 -16.283 26.187 1.00 15.32 N ATOM 133 CA CYS A 184 1.405 -17.125 25.523 1.00 13.07 C ATOM 134 C CYS A 184 1.910 -17.435 24.125 1.00 13.83 C ATOM 135 O CYS A 184 2.874 -16.823 23.665 1.00 15.01 O ATOM 136 CB CYS A 184 0.043 -16.411 25.442 1.00 13.86 C ATOM 137 SG CYS A 184 0.034 -14.926 24.367 1.00 13.20 S ATOM 138 N ASP A 185 1.263 -18.376 23.446 1.00 11.80 N ATOM 139 CA ASP A 185 1.668 -18.734 22.097 1.00 12.54 C ATOM 140 C ASP A 185 1.671 -17.529 21.142 1.00 14.19 C ATOM 141 O ASP A 185 2.587 -17.375 20.330 1.00 14.99 O ATOM 142 CB ASP A 185 0.808 -19.885 21.550 1.00 16.61 C ATOM 143 CG ASP A 185 -0.689 -19.554 21.507 1.00 15.90 C ATOM 144 OD1 ASP A 185 -1.407 -20.211 20.732 1.00 20.53 O ATOM 145 OD2 ASP A 185 -1.179 -18.751 22.332 1.00 19.84 O ATOM 146 N PHE A 186 0.667 -16.663 21.249 1.00 12.49 N ATOM 147 CA PHE A 186 0.574 -15.509 20.351 1.00 11.08 C ATOM 148 C PHE A 186 1.699 -14.501 20.600 1.00 11.25 C ATOM 149 O PHE A 186 2.254 -13.952 19.658 1.00 10.83 O ATOM 150 CB PHE A 186 -0.792 -14.828 20.481 1.00 10.21 C ATOM 151 CG PHE A 186 -1.949 -15.671 19.989 1.00 17.48 C ATOM 152 CD1 PHE A 186 -1.766 -16.601 18.975 1.00 18.61 C ATOM 153 CD2 PHE A 186 -3.239 -15.449 20.457 1.00 13.76 C ATOM 154 CE1 PHE A 186 -2.829 -17.378 18.526 1.00 12.85 C ATOM 155 CE2 PHE A 186 -4.310 -16.206 19.999 1.00 14.61 C ATOM 156 CZ PHE A 186 -4.110 -17.161 19.024 1.00 16.56 C ATOM 157 N CYS A 187 2.069 -14.287 21.861 1.00 11.93 N ATOM 158 CA CYS A 187 3.200 -13.419 22.175 1.00 10.97 C ATOM 159 C CYS A 187 4.511 -14.011 21.680 1.00 13.33 C ATOM 160 O CYS A 187 5.320 -13.318 21.054 1.00 11.32 O ATOM 161 CB CYS A 187 3.289 -13.155 23.686 1.00 10.98 C ATOM 162 SG CYS A 187 2.165 -11.850 24.205 1.00 12.17 S ATOM 163 N ARG A 188 4.724 -15.290 21.974 1.00 13.02 N ATOM 164 CA ARG A 188 5.972 -15.943 21.587 1.00 14.17 C ATOM 165 C ARG A 188 6.180 -15.909 20.074 1.00 11.63 C ATOM 166 O ARG A 188 7.314 -15.922 19.615 1.00 12.41 O ATOM 167 CB ARG A 188 6.042 -17.378 22.120 1.00 15.50 C ATOM 168 CG ARG A 188 6.261 -17.467 23.633 1.00 18.51 C ATOM 169 CD ARG A 188 6.529 -18.907 24.064 1.00 22.71 C ATOM 170 N ASP A 189 5.097 -15.753 19.315 1.00 12.07 N ATOM 171 CA ASP A 189 5.193 -15.552 17.865 1.00 13.27 C ATOM 172 C ASP A 189 5.744 -14.178 17.460 1.00 13.06 C ATOM 173 O ASP A 189 6.298 -14.017 16.372 1.00 15.30 O ATOM 174 CB ASP A 189 3.844 -15.774 17.177 1.00 10.97 C ATOM 175 CG ASP A 189 3.955 -15.740 15.665 1.00 14.61 C ATOM 176 OD1 ASP A 189 4.689 -16.586 15.117 1.00 16.35 O ATOM 177 OD2 ASP A 189 3.377 -14.827 15.027 1.00 16.47 O ATOM 178 N MET A 190 5.505 -13.165 18.285 1.00 11.92 N ATOM 179 CA MET A 190 5.796 -11.805 17.872 1.00 12.04 C ATOM 180 C MET A 190 7.293 -11.620 17.712 1.00 12.71 C ATOM 181 O MET A 190 8.071 -12.163 18.500 1.00 14.12 O ATOM 182 CB MET A 190 5.258 -10.825 18.905 1.00 12.74 C ATOM 183 CG MET A 190 3.740 -10.959 19.111 1.00 9.80 C ATOM 184 SD MET A 190 3.252 -9.907 20.478 1.00 13.65 S ATOM 185 CE MET A 190 1.471 -10.173 20.418 1.00 12.03 C ATOM 186 N LYS A 191 7.690 -10.765 16.774 1.00 13.04 N ATOM 187 CA LYS A 191 9.105 -10.419 16.633 1.00 14.34 C ATOM 188 C LYS A 191 9.676 -9.772 17.888 1.00 14.47 C ATOM 189 O LYS A 191 10.853 -9.975 18.210 1.00 15.42 O ATOM 190 CB LYS A 191 9.349 -9.536 15.402 1.00 15.44 C ATOM 191 N LYS A 192 8.835 -9.059 18.638 1.00 13.57 N ATOM 192 CA LYS A 192 9.311 -8.346 19.827 1.00 15.22 C ATOM 193 C LYS A 192 9.731 -9.323 20.918 1.00 14.63 C ATOM 194 O LYS A 192 10.437 -8.951 21.851 1.00 15.96 O ATOM 195 CB LYS A 192 8.251 -7.380 20.363 1.00 16.67 C ATOM 196 CG LYS A 192 6.933 -8.048 20.760 1.00 19.40 C ATOM 197 CD LYS A 192 5.839 -7.026 21.074 1.00 27.34 C ATOM 198 CE LYS A 192 5.933 -6.542 22.508 1.00 30.55 C ATOM 199 NZ LYS A 192 4.855 -5.568 22.825 1.00 35.75 N ATOM 200 N PHE A 193 9.235 -10.555 20.835 1.00 13.62 N ATOM 201 CA PHE A 193 9.632 -11.597 21.776 1.00 12.80 C ATOM 202 C PHE A 193 10.451 -12.699 21.116 1.00 13.62 C ATOM 203 O PHE A 193 10.576 -13.797 21.660 1.00 12.11 O ATOM 204 CB PHE A 193 8.408 -12.200 22.450 1.00 12.43 C ATOM 205 CG PHE A 193 7.645 -11.222 23.297 1.00 14.56 C ATOM 206 CD1 PHE A 193 8.212 -10.698 24.451 1.00 10.83 C ATOM 207 CD2 PHE A 193 6.369 -10.816 22.931 1.00 12.06 C ATOM 208 CE1 PHE A 193 7.524 -9.769 25.213 1.00 18.88 C ATOM 209 CE2 PHE A 193 5.671 -9.900 23.694 1.00 13.26 C ATOM 210 CZ PHE A 193 6.253 -9.360 24.827 1.00 16.67 C ATOM 211 N GLY A 194 10.963 -12.423 19.921 1.00 10.09 N ATOM 212 CA GLY A 194 11.946 -13.302 19.309 1.00 11.74 C ATOM 213 C GLY A 194 11.353 -14.340 18.373 1.00 13.74 C ATOM 214 O GLY A 194 12.068 -15.217 17.885 1.00 12.65 O ATOM 215 N GLY A 195 10.057 -14.217 18.078 1.00 15.08 N ATOM 216 CA GLY A 195 9.333 -15.235 17.319 1.00 12.61 C ATOM 217 C GLY A 195 9.344 -14.977 15.821 1.00 14.96 C ATOM 218 O GLY A 195 9.787 -13.914 15.374 1.00 11.53 O ATOM 219 N PRO A 196 8.772 -15.912 15.041 1.00 14.01 N ATOM 220 CA PRO A 196 8.849 -15.845 13.584 1.00 15.51 C ATOM 221 C PRO A 196 7.740 -15.021 12.930 1.00 16.24 C ATOM 222 O PRO A 196 7.760 -14.846 11.719 1.00 16.74 O ATOM 223 CB PRO A 196 8.739 -17.310 13.165 1.00 15.45 C ATOM 224 CG PRO A 196 7.889 -17.929 14.224 1.00 15.35 C ATOM 225 CD PRO A 196 8.213 -17.195 15.507 1.00 15.35 C ATOM 226 N ASN A 197 6.796 -14.496 13.705 1.00 14.41 N ATOM 227 CA ASN A 197 5.696 -13.745 13.097 1.00 16.88 C ATOM 228 C ASN A 197 4.968 -14.585 12.041 1.00 16.34 C ATOM 229 O ASN A 197 4.631 -14.109 10.953 1.00 13.86 O ATOM 230 CB ASN A 197 6.230 -12.448 12.475 1.00 17.06 C ATOM 231 CG ASN A 197 5.126 -11.504 12.054 1.00 19.89 C ATOM 232 OD1 ASN A 197 4.239 -11.188 12.842 1.00 21.12 O ATOM 233 ND2 ASN A 197 5.229 -10.971 10.839 1.00 16.21 N ATOM 234 N LYS A 198 4.661 -15.826 12.404 1.00 15.88 N ATOM 235 CA LYS A 198 3.945 -16.717 11.514 1.00 17.59 C ATOM 236 C LYS A 198 2.472 -16.817 11.913 1.00 16.83 C ATOM 237 O LYS A 198 1.645 -17.295 11.147 1.00 20.13 O ATOM 238 CB LYS A 198 4.627 -18.095 11.471 1.00 17.12 C ATOM 239 N ILE A 199 2.127 -16.276 13.076 1.00 18.00 N ATOM 240 CA ILE A 199 0.792 -16.464 13.643 1.00 14.79 C ATOM 241 C ILE A 199 0.024 -15.154 13.599 1.00 15.25 C ATOM 242 O ILE A 199 -1.080 -15.094 13.048 1.00 14.61 O ATOM 243 CB ILE A 199 0.850 -16.991 15.096 1.00 16.14 C ATOM 244 CG1 ILE A 199 1.657 -18.294 15.168 1.00 21.48 C ATOM 245 CG2 ILE A 199 -0.551 -17.225 15.644 1.00 17.53 C ATOM 246 CD1 ILE A 199 0.999 -19.469 14.445 1.00 26.39 C ATOM 247 N ARG A 200 0.619 -14.108 14.175 1.00 16.25 N ATOM 248 CA ARG A 200 0.177 -12.731 13.969 1.00 13.98 C ATOM 249 C ARG A 200 -1.196 -12.464 14.557 1.00 16.44 C ATOM 250 O ARG A 200 -2.036 -11.856 13.887 1.00 14.92 O ATOM 251 CB ARG A 200 0.120 -12.400 12.483 1.00 14.80 C ATOM 252 CG ARG A 200 1.352 -12.802 11.694 1.00 15.07 C ATOM 253 CD ARG A 200 1.247 -12.267 10.277 1.00 14.48 C ATOM 254 NE ARG A 200 2.449 -12.585 9.518 1.00 18.64 N ATOM 255 CZ ARG A 200 2.630 -12.254 8.247 1.00 16.49 C ATOM 256 NH1 ARG A 200 1.720 -11.521 7.616 1.00 17.37 N ATOM 257 NH2 ARG A 200 3.765 -12.568 7.644 1.00 18.53 N ATOM 258 N GLN A 201 -1.436 -12.935 15.779 1.00 12.73 N ATOM 259 CA GLN A 201 -2.598 -12.474 16.543 1.00 13.98 C ATOM 260 C GLN A 201 -2.177 -11.748 17.824 1.00 14.23 C ATOM 261 O GLN A 201 -1.010 -11.839 18.240 1.00 12.97 O ATOM 262 CB GLN A 201 -3.526 -13.645 16.873 1.00 11.45 C ATOM 263 CG GLN A 201 -3.826 -14.532 15.675 1.00 11.69 C ATOM 264 CD GLN A 201 -4.722 -13.861 14.629 1.00 13.57 C ATOM 265 OE1 GLN A 201 -5.417 -12.873 14.904 1.00 9.35 O ATOM 266 NE2 GLN A 201 -4.700 -14.397 13.417 1.00 10.98 N ATOM 267 N LYS A 202 -3.103 -10.966 18.383 1.00 13.61 N ATOM 268 CA LYS A 202 -2.924 -10.309 19.691 1.00 16.04 C ATOM 269 C LYS A 202 -2.623 -11.314 20.807 1.00 12.64 C ATOM 270 O LYS A 202 -3.279 -12.357 20.895 1.00 10.95 O ATOM 271 CB LYS A 202 -4.209 -9.566 20.086 1.00 13.86 C ATOM 272 CG LYS A 202 -4.425 -8.279 19.350 1.00 22.86 C ATOM 273 CD LYS A 202 -5.382 -7.376 20.111 1.00 19.17 C ATOM 274 CE LYS A 202 -6.772 -7.972 20.197 1.00 13.83 C ATOM 275 NZ LYS A 202 -7.809 -6.908 20.231 1.00 15.42 N ATOM 276 N CYS A 203 -1.843 -10.866 21.792 1.00 12.85 N ATOM 277 CA CYS A 203 -1.759 -11.540 23.092 1.00 10.52 C ATOM 278 C CYS A 203 -3.076 -12.177 23.510 1.00 10.28 C ATOM 279 O CYS A 203 -4.106 -11.505 23.565 1.00 11.12 O ATOM 280 CB CYS A 203 -1.308 -10.574 24.185 1.00 10.58 C ATOM 281 SG CYS A 203 -1.090 -11.344 25.797 1.00 9.73 S ATOM 282 N ARG A 204 -2.980 -13.405 24.006 1.00 10.36 N ATOM 283 CA ARG A 204 -4.127 -14.126 24.533 1.00 12.35 C ATOM 284 C ARG A 204 -4.876 -13.331 25.589 1.00 12.26 C ATOM 285 O ARG A 204 -6.100 -13.335 25.586 1.00 11.49 O ATOM 286 CB ARG A 204 -3.693 -15.471 25.123 1.00 13.80 C ATOM 287 CG ARG A 204 -3.260 -16.471 24.073 1.00 17.95 C ATOM 288 CD ARG A 204 -4.387 -17.426 23.726 1.00 22.14 C ATOM 289 NE ARG A 204 -3.947 -18.395 22.724 1.00 24.86 N ATOM 290 CZ ARG A 204 -4.766 -19.164 22.014 1.00 20.90 C ATOM 291 NH1 ARG A 204 -6.070 -19.145 22.253 1.00 16.31 N ATOM 292 NH2 ARG A 204 -4.274 -19.996 21.108 1.00 15.07 N ATOM 293 N LEU A 205 -4.157 -12.558 26.404 1.00 10.76 N ATOM 294 CA LEU A 205 -4.796 -11.818 27.498 1.00 11.33 C ATOM 295 C LEU A 205 -5.429 -10.520 27.012 1.00 12.48 C ATOM 296 O LEU A 205 -6.155 -9.865 27.758 1.00 12.93 O ATOM 297 CB LEU A 205 -3.802 -11.506 28.619 1.00 8.50 C ATOM 298 CG LEU A 205 -3.022 -12.676 29.212 1.00 12.89 C ATOM 299 CD1 LEU A 205 -2.287 -12.244 30.489 1.00 10.74 C ATOM 300 CD2 LEU A 205 -3.981 -13.828 29.513 1.00 9.84 C ATOM 301 N ARG A 206 -5.176 -10.167 25.754 1.00 11.87 N ATOM 302 CA ARG A 206 -5.782 -8.981 25.175 1.00 12.33 C ATOM 303 C ARG A 206 -6.849 -9.296 24.127 1.00 13.82 C ATOM 304 O ARG A 206 -7.373 -8.381 23.479 1.00 13.58 O ATOM 305 CB ARG A 206 -4.703 -8.098 24.568 1.00 11.39 C ATOM 306 CG ARG A 206 -3.638 -7.740 25.586 1.00 11.16 C ATOM 307 CD ARG A 206 -2.498 -7.046 24.870 1.00 18.58 C ATOM 308 NE ARG A 206 -2.783 -5.632 24.711 1.00 22.21 N ATOM 309 CZ ARG A 206 -2.866 -4.981 23.556 1.00 35.14 C ATOM 310 NH1 ARG A 206 -2.939 -5.628 22.393 1.00 35.34 N ATOM 311 NH2 ARG A 206 -2.969 -3.660 23.584 1.00 38.76 N ATOM 312 N GLN A 207 -7.274 -10.558 24.077 1.00 11.81 N ATOM 313 CA GLN A 207 -8.329 -10.965 23.156 1.00 13.39 C ATOM 314 C GLN A 207 -9.690 -10.637 23.765 1.00 12.83 C ATOM 315 O GLN A 207 -10.041 -11.156 24.822 1.00 12.87 O ATOM 316 CB GLN A 207 -8.217 -12.469 22.884 1.00 13.05 C ATOM 317 CG GLN A 207 -6.967 -12.843 22.089 1.00 15.00 C ATOM 318 CD GLN A 207 -7.059 -12.434 20.622 1.00 16.32 C ATOM 319 OE1 GLN A 207 -8.101 -11.960 20.159 1.00 16.65 O ATOM 320 NE2 GLN A 207 -5.941 -12.549 19.902 1.00 17.29 N ATOM 321 N CYS A 208 -10.439 -9.737 23.136 1.00 13.03 N ATOM 322 CA CYS A 208 -11.699 -9.290 23.721 1.00 10.70 C ATOM 323 C CYS A 208 -12.543 -10.471 24.203 1.00 12.24 C ATOM 324 O CYS A 208 -12.855 -11.375 23.427 1.00 10.96 O ATOM 325 CB CYS A 208 -12.496 -8.443 22.730 1.00 11.36 C ATOM 326 SG CYS A 208 -14.103 -7.882 23.385 1.00 12.13 S ATOM 327 N GLN A 209 -12.968 -10.422 25.465 1.00 12.15 N ATOM 328 CA GLN A 209 -13.740 -11.503 26.060 1.00 14.40 C ATOM 329 C GLN A 209 -15.120 -11.683 25.432 1.00 15.42 C ATOM 330 O GLN A 209 -15.702 -12.767 25.531 1.00 14.34 O ATOM 331 CB GLN A 209 -13.903 -11.288 27.566 1.00 16.80 C ATOM 332 CG GLN A 209 -12.628 -11.544 28.350 1.00 25.57 C ATOM 333 CD GLN A 209 -12.629 -10.825 29.676 1.00 32.58 C ATOM 334 OE1 GLN A 209 -13.682 -10.420 30.164 1.00 32.40 O ATOM 335 NE2 GLN A 209 -11.449 -10.646 30.260 1.00 32.62 N ATOM 336 N LEU A 210 -15.683 -10.604 24.885 1.00 15.74 N ATOM 337 CA LEU A 210 -16.974 -10.681 24.197 1.00 14.21 C ATOM 338 C LEU A 210 -16.828 -11.013 22.703 1.00 15.37 C ATOM 339 O LEU A 210 -17.504 -11.913 22.190 1.00 15.02 O ATOM 340 CB LEU A 210 -17.755 -9.381 24.381 1.00 12.96 C ATOM 341 CG LEU A 210 -18.509 -9.254 25.710 1.00 17.42 C ATOM 342 CD1 LEU A 210 -17.533 -9.074 26.857 1.00 20.06 C ATOM 343 CD2 LEU A 210 -19.502 -8.101 25.649 1.00 19.27 C ATOM 344 N ARG A 211 -15.984 -10.257 22.003 1.00 11.48 N ATOM 345 CA ARG A 211 -16.044 -10.204 20.543 1.00 13.58 C ATOM 346 C ARG A 211 -15.027 -11.071 19.810 1.00 14.82 C ATOM 347 O ARG A 211 -15.155 -11.273 18.606 1.00 14.88 O ATOM 348 CB ARG A 211 -15.975 -8.763 20.030 1.00 11.16 C ATOM 349 CG ARG A 211 -17.213 -7.949 20.386 1.00 16.57 C ATOM 350 CD ARG A 211 -17.099 -6.523 19.899 1.00 18.19 C ATOM 351 NE ARG A 211 -18.259 -5.736 20.304 1.00 25.44 N ATOM 352 CZ ARG A 211 -18.719 -4.684 19.632 1.00 31.72 C ATOM 353 NH1 ARG A 211 -18.098 -4.267 18.539 1.00 32.12 N ATOM 354 NH2 ARG A 211 -19.810 -4.053 20.042 1.00 32.27 N ATOM 355 N ALA A 212 -13.992 -11.535 20.508 1.00 15.43 N ATOM 356 CA ALA A 212 -12.878 -12.224 19.840 1.00 15.84 C ATOM 357 C ALA A 212 -13.281 -13.634 19.416 1.00 16.83 C ATOM 358 O ALA A 212 -14.193 -14.212 19.997 1.00 15.89 O ATOM 359 CB ALA A 212 -11.656 -12.269 20.739 1.00 13.59 C ATOM 360 N ARG A 213 -12.660 -14.148 18.357 1.00 16.85 N ATOM 361 CA ARG A 213 -12.887 -15.531 17.949 1.00 18.94 C ATOM 362 C ARG A 213 -12.669 -16.417 19.169 1.00 18.83 C ATOM 363 O ARG A 213 -11.744 -16.183 19.964 1.00 16.00 O ATOM 364 CB ARG A 213 -11.909 -15.924 16.827 1.00 20.45 C ATOM 365 CG ARG A 213 -12.340 -15.474 15.442 1.00 21.62 C ATOM 366 CD ARG A 213 -11.271 -15.709 14.372 1.00 21.13 C ATOM 367 NE ARG A 213 -11.382 -14.715 13.300 1.00 19.60 N ATOM 368 CZ ARG A 213 -12.182 -14.810 12.237 1.00 24.33 C ATOM 369 NH1 ARG A 213 -12.898 -15.908 12.017 1.00 14.99 N ATOM 370 NH2 ARG A 213 -12.264 -13.800 11.376 1.00 24.48 N ATOM 371 N GLU A 214 -13.549 -17.398 19.354 1.00 18.47 N ATOM 372 CA GLU A 214 -13.563 -18.170 20.598 1.00 18.00 C ATOM 373 C GLU A 214 -12.218 -18.864 20.791 1.00 17.46 C ATOM 374 O GLU A 214 -11.680 -18.909 21.899 1.00 17.06 O ATOM 375 CB GLU A 214 -14.696 -19.207 20.579 1.00 17.95 C ATOM 376 N SER A 215 -11.619 -19.287 19.681 1.00 18.26 N ATOM 377 CA SER A 215 -10.345 -20.003 19.727 1.00 18.21 C ATOM 378 C SER A 215 -9.139 -19.120 20.065 1.00 18.31 C ATOM 379 O SER A 215 -8.050 -19.632 20.336 1.00 17.08 O ATOM 380 CB SER A 215 -10.104 -20.759 18.421 1.00 16.27 C ATOM 381 OG SER A 215 -9.895 -19.858 17.348 1.00 20.43 O ATOM 382 N TYR A 216 -9.321 -17.803 20.041 1.00 19.29 N ATOM 383 CA TYR A 216 -8.224 -16.888 20.373 1.00 21.45 C ATOM 384 C TYR A 216 -8.126 -16.605 21.865 1.00 23.96 C ATOM 385 O TYR A 216 -7.095 -16.135 22.344 1.00 24.33 O ATOM 386 CB TYR A 216 -8.338 -15.563 19.610 1.00 18.73 C ATOM 387 CG TYR A 216 -8.026 -15.659 18.133 1.00 19.56 C ATOM 388 CD1 TYR A 216 -7.551 -16.842 17.575 1.00 19.45 C ATOM 389 CD2 TYR A 216 -8.258 -14.579 17.286 1.00 17.62 C ATOM 390 CE1 TYR A 216 -7.338 -16.951 16.205 1.00 23.42 C ATOM 391 CE2 TYR A 216 -8.052 -14.684 15.922 1.00 22.93 C ATOM 392 CZ TYR A 216 -7.561 -15.861 15.395 1.00 21.85 C ATOM 393 OH TYR A 216 -7.316 -15.946 14.048 1.00 28.91 O ATOM 394 N LYS A 217 -9.220 -16.814 22.590 1.00 26.84 N ATOM 395 CA LYS A 217 -9.149 -16.812 24.047 1.00 29.86 C ATOM 396 C LYS A 217 -8.772 -18.192 24.582 1.00 31.25 C ATOM 397 O LYS A 217 -7.590 -18.538 24.652 1.00 30.75 O ATOM 398 CB LYS A 217 -10.470 -16.354 24.665 1.00 30.97 C ATOM 399 CG LYS A 217 -11.404 -15.660 23.689 1.00 28.80 C ATOM 400 CD LYS A 217 -12.842 -15.775 24.173 1.00 26.86 C ATOM 401 CE LYS A 217 -13.707 -14.677 23.576 1.00 23.58 C ATOM 402 NZ LYS A 217 -15.144 -14.943 23.833 1.00 26.45 N TER 403 LYS A 217 ATOM 404 O5' DG B 1 9.880 4.710 1.773 1.00 19.08 O ATOM 405 C5' DG B 1 9.605 3.333 1.644 1.00 13.74 C ATOM 406 C4' DG B 1 9.606 2.761 3.047 1.00 17.20 C ATOM 407 O4' DG B 1 8.683 3.493 3.890 1.00 17.99 O ATOM 408 C3' DG B 1 9.232 1.297 3.176 1.00 14.97 C ATOM 409 O3' DG B 1 10.084 0.780 4.183 1.00 16.29 O ATOM 410 C2' DG B 1 7.763 1.346 3.592 1.00 15.00 C ATOM 411 C1' DG B 1 7.686 2.635 4.413 1.00 16.27 C ATOM 412 N9 DG B 1 6.397 3.329 4.335 1.00 10.06 N ATOM 413 C8 DG B 1 5.700 3.663 3.195 1.00 12.73 C ATOM 414 N7 DG B 1 4.566 4.275 3.411 1.00 6.82 N ATOM 415 C5 DG B 1 4.508 4.345 4.800 1.00 10.82 C ATOM 416 C6 DG B 1 3.503 4.886 5.631 1.00 7.11 C ATOM 417 O6 DG B 1 2.491 5.494 5.268 1.00 8.64 O ATOM 418 N1 DG B 1 3.806 4.772 6.987 1.00 6.52 N ATOM 419 C2 DG B 1 4.945 4.183 7.471 1.00 6.19 C ATOM 420 N2 DG B 1 5.068 4.158 8.799 1.00 2.00 N ATOM 421 N3 DG B 1 5.896 3.651 6.710 1.00 11.04 N ATOM 422 C4 DG B 1 5.621 3.778 5.385 1.00 10.44 C ATOM 423 P DC B 2 9.891 -0.690 4.779 1.00 21.56 P ATOM 424 OP1 DC B 2 11.228 -1.216 5.112 1.00 19.25 O ATOM 425 OP2 DC B 2 8.978 -1.446 3.901 1.00 28.23 O ATOM 426 O5' DC B 2 9.114 -0.398 6.141 1.00 19.65 O ATOM 427 C5' DC B 2 9.794 0.289 7.191 1.00 17.61 C ATOM 428 C4' DC B 2 8.966 0.201 8.461 1.00 14.77 C ATOM 429 O4' DC B 2 7.674 0.837 8.265 1.00 13.21 O ATOM 430 C3' DC B 2 8.663 -1.214 8.932 1.00 16.51 C ATOM 431 O3' DC B 2 8.720 -1.188 10.351 1.00 19.27 O ATOM 432 C2' DC B 2 7.245 -1.452 8.419 1.00 10.77 C ATOM 433 C1' DC B 2 6.618 -0.068 8.546 1.00 11.39 C ATOM 434 N1 DC B 2 5.501 0.260 7.578 1.00 12.10 N ATOM 435 C2 DC B 2 4.333 0.855 8.073 1.00 12.15 C ATOM 436 O2 DC B 2 4.191 0.925 9.304 1.00 10.11 O ATOM 437 N3 DC B 2 3.346 1.208 7.197 1.00 7.48 N ATOM 438 C4 DC B 2 3.524 1.058 5.884 1.00 5.13 C ATOM 439 N4 DC B 2 2.578 1.551 5.073 1.00 10.19 N ATOM 440 C5 DC B 2 4.741 0.547 5.347 1.00 7.22 C ATOM 441 C6 DC B 2 5.682 0.159 6.224 1.00 14.74 C ATOM 442 P DC B 3 8.675 -2.539 11.202 1.00 26.80 P ATOM 443 OP1 DC B 3 9.491 -2.290 12.412 1.00 22.62 O ATOM 444 OP2 DC B 3 8.973 -3.660 10.282 1.00 23.94 O ATOM 445 O5' DC B 3 7.136 -2.651 11.646 1.00 18.35 O ATOM 446 C5' DC B 3 6.563 -1.597 12.418 1.00 12.41 C ATOM 447 C4' DC B 3 5.114 -1.928 12.707 1.00 12.51 C ATOM 448 O4' DC B 3 4.283 -1.611 11.555 1.00 11.72 O ATOM 449 C3' DC B 3 4.883 -3.413 12.969 1.00 16.36 C ATOM 450 O3' DC B 3 3.926 -3.462 14.007 1.00 23.14 O ATOM 451 C2' DC B 3 4.335 -3.935 11.632 1.00 12.62 C ATOM 452 C1' DC B 3 3.484 -2.734 11.224 1.00 7.51 C ATOM 453 N1 DC B 3 3.082 -2.618 9.794 1.00 8.15 N ATOM 454 C2 DC B 3 1.891 -1.942 9.505 1.00 11.50 C ATOM 455 O2 DC B 3 1.145 -1.623 10.438 1.00 6.17 O ATOM 456 N3 DC B 3 1.585 -1.634 8.220 1.00 7.94 N ATOM 457 C4 DC B 3 2.396 -2.014 7.239 1.00 12.08 C ATOM 458 N4 DC B 3 2.033 -1.695 5.994 1.00 8.63 N ATOM 459 C5 DC B 3 3.660 -2.622 7.514 1.00 16.36 C ATOM 460 C6 DC B 3 3.966 -2.889 8.794 1.00 11.14 C ATOM 461 P DA B 4 4.069 -4.456 15.259 1.00 22.14 P ATOM 462 OP1 DA B 4 5.069 -3.887 16.193 1.00 19.08 O ATOM 463 OP2 DA B 4 4.241 -5.812 14.695 1.00 26.39 O ATOM 464 O5' DA B 4 2.602 -4.359 15.884 1.00 21.73 O ATOM 465 C5' DA B 4 1.970 -3.099 16.047 1.00 18.20 C ATOM 466 C4' DA B 4 0.471 -3.299 16.007 1.00 18.74 C ATOM 467 O4' DA B 4 0.023 -3.410 14.633 1.00 18.17 O ATOM 468 C3' DA B 4 -0.033 -4.553 16.711 1.00 20.51 C ATOM 469 O3' DA B 4 -1.246 -4.202 17.335 1.00 24.96 O ATOM 470 C2' DA B 4 -0.275 -5.567 15.591 1.00 14.91 C ATOM 471 C1' DA B 4 -0.523 -4.689 14.363 1.00 14.55 C ATOM 472 N9 DA B 4 0.126 -5.117 13.122 1.00 11.15 N ATOM 473 C8 DA B 4 1.322 -5.767 12.945 1.00 6.32 C ATOM 474 N7 DA B 4 1.680 -5.870 11.669 1.00 6.76 N ATOM 475 C5 DA B 4 0.638 -5.264 10.977 1.00 8.78 C ATOM 476 C6 DA B 4 0.406 -5.004 9.607 1.00 5.35 C ATOM 477 N6 DA B 4 1.235 -5.386 8.632 1.00 2.42 N ATOM 478 N1 DA B 4 -0.738 -4.374 9.264 1.00 8.63 N ATOM 479 C2 DA B 4 -1.585 -3.989 10.234 1.00 4.11 C ATOM 480 N3 DA B 4 -1.425 -4.092 11.552 1.00 9.49 N ATOM 481 C4 DA B 4 -0.300 -4.759 11.862 1.00 4.76 C ATOM 482 P DA B 5 -2.064 -5.239 18.250 1.00 27.13 P ATOM 483 OP1 DA B 5 -3.006 -4.391 19.022 1.00 20.82 O ATOM 484 OP2 DA B 5 -1.141 -6.248 18.864 1.00 8.82 O ATOM 485 O5' DA B 5 -2.970 -6.006 17.180 1.00 18.65 O ATOM 486 C5' DA B 5 -4.044 -5.301 16.593 1.00 14.90 C ATOM 487 C4' DA B 5 -4.579 -6.162 15.473 1.00 9.18 C ATOM 488 O4' DA B 5 -3.570 -6.310 14.440 1.00 5.47 O ATOM 489 C3' DA B 5 -4.918 -7.584 15.886 1.00 9.72 C ATOM 490 O3' DA B 5 -6.174 -7.857 15.317 1.00 13.12 O ATOM 491 C2' DA B 5 -3.854 -8.457 15.214 1.00 5.87 C ATOM 492 C1' DA B 5 -3.642 -7.629 13.960 1.00 2.00 C ATOM 493 N9 DA B 5 -2.453 -7.966 13.188 1.00 9.77 N ATOM 494 C8 DA B 5 -1.259 -8.473 13.638 1.00 6.40 C ATOM 495 N7 DA B 5 -0.405 -8.697 12.659 1.00 8.37 N ATOM 496 C5 DA B 5 -1.077 -8.304 11.503 1.00 7.08 C ATOM 497 C6 DA B 5 -0.723 -8.253 10.130 1.00 7.97 C ATOM 498 N6 DA B 5 0.442 -8.674 9.633 1.00 7.72 N ATOM 499 N1 DA B 5 -1.647 -7.822 9.251 1.00 6.37 N ATOM 500 C2 DA B 5 -2.822 -7.373 9.710 1.00 5.59 C ATOM 501 N3 DA B 5 -3.251 -7.334 10.969 1.00 8.16 N ATOM 502 C4 DA B 5 -2.330 -7.818 11.821 1.00 5.18 C ATOM 503 P DC B 6 -7.468 -8.000 16.248 1.00 8.67 P ATOM 504 OP1 DC B 6 -7.567 -6.757 17.035 1.00 11.02 O ATOM 505 OP2 DC B 6 -7.421 -9.318 16.925 1.00 6.99 O ATOM 506 O5' DC B 6 -8.608 -8.205 15.122 1.00 12.10 O ATOM 507 C5' DC B 6 -9.016 -7.182 14.225 1.00 12.18 C ATOM 508 C4' DC B 6 -8.898 -7.589 12.763 1.00 6.75 C ATOM 509 O4' DC B 6 -7.522 -7.720 12.327 1.00 7.52 O ATOM 510 C3' DC B 6 -9.615 -8.853 12.295 1.00 10.27 C ATOM 511 O3' DC B 6 -10.939 -8.506 11.914 1.00 10.59 O ATOM 512 C2' DC B 6 -8.849 -9.232 11.034 1.00 7.50 C ATOM 513 C1' DC B 6 -7.522 -8.490 11.136 1.00 8.92 C ATOM 514 N1 DC B 6 -6.332 -9.382 11.179 1.00 10.48 N ATOM 515 C2 DC B 6 -5.641 -9.591 9.989 1.00 7.04 C ATOM 516 O2 DC B 6 -6.104 -9.139 8.939 1.00 9.62 O ATOM 517 N3 DC B 6 -4.490 -10.305 10.003 1.00 9.93 N ATOM 518 C4 DC B 6 -3.988 -10.762 11.143 1.00 11.83 C ATOM 519 N4 DC B 6 -2.806 -11.394 11.057 1.00 6.40 N ATOM 520 C5 DC B 6 -4.669 -10.553 12.385 1.00 8.79 C ATOM 521 C6 DC B 6 -5.831 -9.871 12.355 1.00 8.58 C ATOM 522 P DG B 7 -12.062 -9.612 11.640 1.00 11.29 P ATOM 523 OP1 DG B 7 -13.316 -8.845 11.799 1.00 14.42 O ATOM 524 OP2 DG B 7 -11.809 -10.821 12.465 1.00 10.25 O ATOM 525 O5' DG B 7 -11.821 -10.075 10.120 1.00 15.80 O ATOM 526 C5' DG B 7 -11.830 -9.166 9.004 1.00 10.23 C ATOM 527 C4' DG B 7 -11.552 -9.955 7.728 1.00 8.85 C ATOM 528 O4' DG B 7 -10.183 -10.424 7.815 1.00 9.67 O ATOM 529 C3' DG B 7 -12.399 -11.214 7.515 1.00 10.34 C ATOM 530 O3' DG B 7 -12.670 -11.348 6.112 1.00 13.62 O ATOM 531 C2' DG B 7 -11.509 -12.357 8.013 1.00 8.35 C ATOM 532 C1' DG B 7 -10.103 -11.833 7.697 1.00 6.78 C ATOM 533 N9 DG B 7 -9.077 -12.289 8.645 1.00 6.78 N ATOM 534 C8 DG B 7 -9.152 -12.243 10.022 1.00 11.85 C ATOM 535 N7 DG B 7 -8.065 -12.641 10.629 1.00 11.80 N ATOM 536 C5 DG B 7 -7.197 -12.930 9.586 1.00 5.93 C ATOM 537 C6 DG B 7 -5.882 -13.433 9.637 1.00 5.71 C ATOM 538 O6 DG B 7 -5.206 -13.681 10.656 1.00 5.13 O ATOM 539 N1 DG B 7 -5.372 -13.626 8.352 1.00 3.01 N ATOM 540 C2 DG B 7 -6.014 -13.303 7.179 1.00 7.84 C ATOM 541 N2 DG B 7 -5.346 -13.526 6.034 1.00 6.05 N ATOM 542 N3 DG B 7 -7.235 -12.794 7.128 1.00 7.74 N ATOM 543 C4 DG B 7 -7.802 -12.735 8.361 1.00 8.96 C ATOM 544 P DT B 8 -13.424 -12.590 5.425 1.00 18.02 P ATOM 545 OP1 DT B 8 -14.264 -11.977 4.367 1.00 25.15 O ATOM 546 OP2 DT B 8 -14.062 -13.499 6.407 1.00 12.32 O ATOM 547 O5' DT B 8 -12.228 -13.401 4.736 1.00 21.47 O ATOM 548 C5' DT B 8 -11.245 -12.712 3.957 1.00 19.43 C ATOM 549 C4' DT B 8 -10.212 -13.709 3.461 1.00 15.35 C ATOM 550 O4' DT B 8 -9.395 -14.111 4.581 1.00 15.28 O ATOM 551 C3' DT B 8 -10.771 -15.010 2.895 1.00 19.69 C ATOM 552 O3' DT B 8 -10.096 -15.282 1.677 1.00 24.28 O ATOM 553 C2' DT B 8 -10.450 -16.079 3.939 1.00 14.99 C ATOM 554 C1' DT B 8 -9.168 -15.506 4.521 1.00 12.79 C ATOM 555 N1 DT B 8 -8.853 -15.902 5.923 1.00 11.37 N ATOM 556 C2 DT B 8 -7.557 -16.277 6.189 1.00 11.50 C ATOM 557 O2 DT B 8 -6.763 -16.491 5.290 1.00 13.57 O ATOM 558 N3 DT B 8 -7.274 -16.497 7.521 1.00 11.95 N ATOM 559 C4 DT B 8 -8.145 -16.300 8.583 1.00 11.27 C ATOM 560 O4 DT B 8 -7.837 -16.484 9.755 1.00 9.98 O ATOM 561 C5 DT B 8 -9.471 -15.860 8.241 1.00 15.53 C ATOM 562 C7 DT B 8 -10.472 -15.681 9.349 1.00 12.60 C ATOM 563 C6 DT B 8 -9.754 -15.651 6.941 1.00 11.46 C ATOM 564 P DT B 9 -10.600 -16.474 0.734 1.00 28.26 P ATOM 565 OP1 DT B 9 -10.497 -15.967 -0.654 1.00 28.58 O ATOM 566 OP2 DT B 9 -11.891 -16.969 1.265 1.00 21.79 O ATOM 567 O5' DT B 9 -9.509 -17.619 0.991 1.00 27.19 O ATOM 568 C5' DT B 9 -8.123 -17.365 0.772 1.00 27.46 C ATOM 569 C4' DT B 9 -7.288 -18.551 1.219 1.00 23.72 C ATOM 570 O4' DT B 9 -7.200 -18.577 2.666 1.00 23.54 O ATOM 571 C3' DT B 9 -7.846 -19.915 0.817 1.00 25.71 C ATOM 572 O3' DT B 9 -6.772 -20.738 0.399 1.00 30.62 O ATOM 573 C2' DT B 9 -8.426 -20.452 2.121 1.00 26.55 C ATOM 574 C1' DT B 9 -7.367 -19.916 3.076 1.00 21.92 C ATOM 575 N1 DT B 9 -7.743 -19.910 4.505 1.00 18.51 N ATOM 576 C2 DT B 9 -6.757 -20.142 5.442 1.00 17.82 C ATOM 577 O2 DT B 9 -5.603 -20.409 5.153 1.00 18.23 O ATOM 578 N3 DT B 9 -7.185 -20.065 6.742 1.00 13.14 N ATOM 579 C4 DT B 9 -8.446 -19.700 7.177 1.00 11.39 C ATOM 580 O4 DT B 9 -8.690 -19.635 8.376 1.00 15.91 O ATOM 581 C5 DT B 9 -9.428 -19.449 6.145 1.00 14.30 C ATOM 582 C7 DT B 9 -10.864 -19.138 6.477 1.00 16.86 C ATOM 583 C6 DT B 9 -9.037 -19.594 4.871 1.00 18.04 C ATOM 584 P DG B 10 -6.877 -21.648 -0.911 1.00 28.56 P ATOM 585 OP1 DG B 10 -6.742 -20.707 -2.037 1.00 28.56 O ATOM 586 OP2 DG B 10 -8.044 -22.559 -0.807 1.00 27.64 O ATOM 587 O5' DG B 10 -5.568 -22.563 -0.772 1.00 26.16 O ATOM 588 C5' DG B 10 -4.431 -22.109 -0.055 1.00 25.48 C ATOM 589 C4' DG B 10 -3.867 -23.244 0.778 1.00 30.23 C ATOM 590 O4' DG B 10 -4.470 -23.290 2.100 1.00 27.71 O ATOM 591 C3' DG B 10 -4.094 -24.636 0.213 1.00 31.99 C ATOM 592 O3' DG B 10 -2.993 -25.432 0.621 1.00 36.40 O ATOM 593 C2' DG B 10 -5.372 -25.086 0.915 1.00 28.87 C ATOM 594 C1' DG B 10 -5.124 -24.525 2.313 1.00 24.29 C ATOM 595 N9 DG B 10 -6.329 -24.200 3.071 1.00 20.01 N ATOM 596 C8 DG B 10 -7.546 -23.811 2.561 1.00 19.60 C ATOM 597 N7 DG B 10 -8.401 -23.460 3.484 1.00 20.01 N ATOM 598 C5 DG B 10 -7.702 -23.604 4.677 1.00 17.81 C ATOM 599 C6 DG B 10 -8.130 -23.399 6.014 1.00 19.98 C ATOM 600 O6 DG B 10 -9.227 -22.970 6.401 1.00 21.04 O ATOM 601 N1 DG B 10 -7.149 -23.751 6.940 1.00 12.88 N ATOM 602 C2 DG B 10 -5.893 -24.194 6.601 1.00 15.12 C ATOM 603 N2 DG B 10 -5.067 -24.444 7.628 1.00 11.04 N ATOM 604 N3 DG B 10 -5.464 -24.364 5.350 1.00 16.13 N ATOM 605 C4 DG B 10 -6.429 -24.073 4.441 1.00 16.72 C ATOM 606 P DG B 11 -2.708 -26.820 -0.116 1.00 35.12 P ATOM 607 OP1 DG B 11 -1.410 -26.678 -0.816 1.00 32.76 O ATOM 608 OP2 DG B 11 -3.949 -27.205 -0.834 1.00 32.23 O ATOM 609 O5' DG B 11 -2.520 -27.847 1.098 1.00 28.26 O ATOM 610 C5' DG B 11 -1.719 -27.493 2.216 1.00 23.16 C ATOM 611 C4' DG B 11 -2.214 -28.290 3.406 1.00 18.99 C ATOM 612 O4' DG B 11 -3.408 -27.686 3.969 1.00 12.68 O ATOM 613 C3' DG B 11 -2.593 -29.712 3.026 1.00 18.12 C ATOM 614 O3' DG B 11 -1.847 -30.565 3.878 1.00 20.73 O ATOM 615 C2' DG B 11 -4.106 -29.783 3.243 1.00 14.28 C ATOM 616 C1' DG B 11 -4.315 -28.712 4.306 1.00 13.29 C ATOM 617 N9 DG B 11 -5.659 -28.142 4.359 1.00 12.61 N ATOM 618 C8 DG B 11 -6.454 -27.787 3.299 1.00 14.26 C ATOM 619 N7 DG B 11 -7.590 -27.255 3.661 1.00 11.08 N ATOM 620 C5 DG B 11 -7.542 -27.233 5.047 1.00 8.90 C ATOM 621 C6 DG B 11 -8.499 -26.779 5.995 1.00 9.33 C ATOM 622 O6 DG B 11 -9.617 -26.280 5.778 1.00 10.99 O ATOM 623 N1 DG B 11 -8.032 -26.905 7.304 1.00 3.29 N ATOM 624 C2 DG B 11 -6.826 -27.464 7.650 1.00 7.34 C ATOM 625 N2 DG B 11 -6.541 -27.510 8.961 1.00 10.68 N ATOM 626 N3 DG B 11 -5.903 -27.843 6.771 1.00 9.09 N ATOM 627 C4 DG B 11 -6.343 -27.744 5.490 1.00 11.80 C ATOM 628 P DC B 12 -1.988 -32.139 3.748 1.00 20.62 P ATOM 629 OP1 DC B 12 -0.661 -32.744 3.994 1.00 24.77 O ATOM 630 OP2 DC B 12 -2.701 -32.424 2.485 1.00 25.52 O ATOM 631 O5' DC B 12 -2.959 -32.492 4.969 1.00 17.16 O ATOM 632 C5' DC B 12 -2.633 -32.019 6.268 1.00 14.94 C ATOM 633 C4' DC B 12 -3.810 -32.170 7.214 1.00 13.95 C ATOM 634 O4' DC B 12 -4.787 -31.146 6.916 1.00 8.99 O ATOM 635 C3' DC B 12 -4.615 -33.457 7.095 1.00 13.46 C ATOM 636 O3' DC B 12 -4.030 -34.485 7.879 1.00 15.48 O ATOM 637 C2' DC B 12 -5.973 -33.066 7.677 1.00 9.99 C ATOM 638 C1' DC B 12 -6.011 -31.553 7.489 1.00 9.70 C ATOM 639 N1 DC B 12 -7.135 -31.078 6.638 1.00 10.46 N ATOM 640 C2 DC B 12 -8.238 -30.535 7.299 1.00 9.08 C ATOM 641 O2 DC B 12 -8.209 -30.469 8.540 1.00 10.07 O ATOM 642 N3 DC B 12 -9.270 -30.073 6.555 1.00 2.00 N ATOM 643 C4 DC B 12 -9.237 -30.163 5.225 1.00 6.02 C ATOM 644 N4 DC B 12 -10.305 -29.708 4.564 1.00 4.49 N ATOM 645 C5 DC B 12 -8.122 -30.726 4.527 1.00 5.34 C ATOM 646 C6 DC B 12 -7.113 -31.196 5.276 1.00 5.96 C TER 647 DC B 12 ATOM 648 O5' DG C 1 -18.548 -28.619 11.281 1.00 35.83 O ATOM 649 C5' DG C 1 -17.958 -27.346 11.537 1.00 27.58 C ATOM 650 C4' DG C 1 -16.810 -27.484 12.522 1.00 28.18 C ATOM 651 O4' DG C 1 -15.687 -28.135 11.877 1.00 28.35 O ATOM 652 C3' DG C 1 -16.209 -26.179 13.021 1.00 31.88 C ATOM 653 O3' DG C 1 -15.457 -26.455 14.197 1.00 37.60 O ATOM 654 C2' DG C 1 -15.277 -25.806 11.872 1.00 28.53 C ATOM 655 C1' DG C 1 -14.696 -27.178 11.538 1.00 27.09 C ATOM 656 N9 DG C 1 -14.383 -27.329 10.119 1.00 25.08 N ATOM 657 C8 DG C 1 -15.138 -26.891 9.055 1.00 26.46 C ATOM 658 N7 DG C 1 -14.640 -27.219 7.892 1.00 24.90 N ATOM 659 C5 DG C 1 -13.457 -27.884 8.210 1.00 21.57 C ATOM 660 C6 DG C 1 -12.469 -28.444 7.365 1.00 14.88 C ATOM 661 O6 DG C 1 -12.436 -28.458 6.131 1.00 14.70 O ATOM 662 N1 DG C 1 -11.452 -29.061 8.086 1.00 11.66 N ATOM 663 C2 DG C 1 -11.376 -29.103 9.455 1.00 16.78 C ATOM 664 N2 DG C 1 -10.312 -29.742 9.955 1.00 10.32 N ATOM 665 N3 DG C 1 -12.278 -28.560 10.265 1.00 19.08 N ATOM 666 C4 DG C 1 -13.301 -27.991 9.576 1.00 22.06 C ATOM 667 P DC C 2 -14.631 -25.305 14.954 1.00 39.68 P ATOM 668 OP1 DC C 2 -15.001 -25.440 16.382 1.00 35.89 O ATOM 669 OP2 DC C 2 -14.782 -24.018 14.230 1.00 37.29 O ATOM 670 O5' DC C 2 -13.107 -25.746 14.751 1.00 37.11 O ATOM 671 C5' DC C 2 -12.688 -27.028 15.187 1.00 34.53 C ATOM 672 C4' DC C 2 -11.201 -27.158 14.946 1.00 32.07 C ATOM 673 O4' DC C 2 -10.966 -27.350 13.527 1.00 33.34 O ATOM 674 C3' DC C 2 -10.397 -25.936 15.376 1.00 32.10 C ATOM 675 O3' DC C 2 -9.249 -26.397 16.077 1.00 35.08 O ATOM 676 C2' DC C 2 -10.062 -25.236 14.062 1.00 31.12 C ATOM 677 C1' DC C 2 -10.019 -26.402 13.072 1.00 29.96 C ATOM 678 N1 DC C 2 -10.385 -26.042 11.670 1.00 27.27 N ATOM 679 C2 DC C 2 -9.510 -26.356 10.615 1.00 24.84 C ATOM 680 O2 DC C 2 -8.408 -26.871 10.850 1.00 25.94 O ATOM 681 N3 DC C 2 -9.875 -26.043 9.349 1.00 18.16 N ATOM 682 C4 DC C 2 -11.051 -25.458 9.110 1.00 19.47 C ATOM 683 N4 DC C 2 -11.352 -25.173 7.834 1.00 17.09 N ATOM 684 C5 DC C 2 -11.951 -25.125 10.169 1.00 22.74 C ATOM 685 C6 DC C 2 -11.585 -25.433 11.422 1.00 23.73 C ATOM 686 P DC C 3 -8.341 -25.438 16.985 1.00 40.74 P ATOM 687 OP1 DC C 3 -7.721 -26.277 18.033 1.00 35.77 O ATOM 688 OP2 DC C 3 -9.103 -24.214 17.333 1.00 34.26 O ATOM 689 O5' DC C 3 -7.194 -25.039 15.946 1.00 38.67 O ATOM 690 C5' DC C 3 -6.268 -26.020 15.485 1.00 34.87 C ATOM 691 C4' DC C 3 -5.359 -25.351 14.478 1.00 32.63 C ATOM 692 O4' DC C 3 -6.067 -25.189 13.222 1.00 29.24 O ATOM 693 C3' DC C 3 -4.972 -23.937 14.894 1.00 31.99 C ATOM 694 O3' DC C 3 -3.689 -23.673 14.374 1.00 38.27 O ATOM 695 C2' DC C 3 -6.003 -23.074 14.182 1.00 28.60 C ATOM 696 C1' DC C 3 -5.984 -23.827 12.860 1.00 27.84 C ATOM 697 N1 DC C 3 -7.075 -23.457 11.931 1.00 26.59 N ATOM 698 C2 DC C 3 -6.843 -23.606 10.567 1.00 24.46 C ATOM 699 O2 DC C 3 -5.756 -24.080 10.214 1.00 26.63 O ATOM 700 N3 DC C 3 -7.818 -23.238 9.699 1.00 23.49 N ATOM 701 C4 DC C 3 -8.971 -22.750 10.171 1.00 23.43 C ATOM 702 N4 DC C 3 -9.911 -22.400 9.286 1.00 24.07 N ATOM 703 C5 DC C 3 -9.232 -22.609 11.567 1.00 24.60 C ATOM 704 C6 DC C 3 -8.252 -22.953 12.405 1.00 26.11 C ATOM 705 P DA C 4 -2.442 -23.783 15.364 1.00 38.10 P ATOM 706 OP1 DA C 4 -2.551 -25.112 16.006 1.00 35.38 O ATOM 707 OP2 DA C 4 -2.460 -22.521 16.148 1.00 34.74 O ATOM 708 O5' DA C 4 -1.173 -23.783 14.383 1.00 34.08 O ATOM 709 C5' DA C 4 -0.935 -24.881 13.510 1.00 29.39 C ATOM 710 C4' DA C 4 -0.374 -24.408 12.177 1.00 30.21 C ATOM 711 O4' DA C 4 -1.432 -23.892 11.330 1.00 25.86 O ATOM 712 C3' DA C 4 0.696 -23.322 12.235 1.00 28.98 C ATOM 713 O3' DA C 4 1.692 -23.634 11.271 1.00 31.71 O ATOM 714 C2' DA C 4 -0.063 -22.047 11.871 1.00 24.81 C ATOM 715 C1' DA C 4 -1.166 -22.555 10.939 1.00 26.21 C ATOM 716 N9 DA C 4 -2.423 -21.822 11.075 1.00 20.81 N ATOM 717 C8 DA C 4 -2.971 -21.378 12.251 1.00 21.37 C ATOM 718 N7 DA C 4 -4.159 -20.836 12.126 1.00 11.94 N ATOM 719 C5 DA C 4 -4.434 -20.982 10.776 1.00 17.80 C ATOM 720 C6 DA C 4 -5.512 -20.542 9.990 1.00 12.79 C ATOM 721 N6 DA C 4 -6.588 -19.959 10.520 1.00 15.25 N ATOM 722 N1 DA C 4 -5.464 -20.766 8.661 1.00 16.97 N ATOM 723 C2 DA C 4 -4.387 -21.373 8.155 1.00 15.10 C ATOM 724 N3 DA C 4 -3.309 -21.837 8.794 1.00 19.79 N ATOM 725 C4 DA C 4 -3.383 -21.593 10.112 1.00 20.13 C ATOM 726 P DA C 5 2.979 -22.703 11.073 1.00 33.96 P ATOM 727 OP1 DA C 5 4.021 -23.559 10.462 1.00 36.12 O ATOM 728 OP2 DA C 5 3.237 -21.980 12.343 1.00 37.20 O ATOM 729 O5' DA C 5 2.537 -21.636 9.970 1.00 29.95 O ATOM 730 C5' DA C 5 2.162 -22.153 8.698 1.00 26.07 C ATOM 731 C4' DA C 5 1.518 -21.074 7.856 1.00 20.45 C ATOM 732 O4' DA C 5 0.256 -20.690 8.447 1.00 19.57 O ATOM 733 C3' DA C 5 2.323 -19.789 7.743 1.00 19.21 C ATOM 734 O3' DA C 5 2.834 -19.764 6.420 1.00 22.29 O ATOM 735 C2' DA C 5 1.322 -18.658 8.010 1.00 13.90 C ATOM 736 C1' DA C 5 -0.018 -19.384 7.996 1.00 17.13 C ATOM 737 N9 DA C 5 -1.065 -18.832 8.854 1.00 16.57 N ATOM 738 C8 DA C 5 -1.065 -18.750 10.224 1.00 13.38 C ATOM 739 N7 DA C 5 -2.163 -18.200 10.691 1.00 19.48 N ATOM 740 C5 DA C 5 -2.979 -18.029 9.578 1.00 14.34 C ATOM 741 C6 DA C 5 -4.271 -17.487 9.398 1.00 17.06 C ATOM 742 N6 DA C 5 -5.043 -17.082 10.412 1.00 19.03 N ATOM 743 N1 DA C 5 -4.769 -17.411 8.142 1.00 17.48 N ATOM 744 C2 DA C 5 -4.000 -17.823 7.125 1.00 13.03 C ATOM 745 N3 DA C 5 -2.774 -18.346 7.174 1.00 12.87 N ATOM 746 C4 DA C 5 -2.305 -18.399 8.433 1.00 14.57 C ATOM 747 P DC C 6 3.789 -18.593 5.917 1.00 26.35 P ATOM 748 OP1 DC C 6 4.541 -19.122 4.751 1.00 32.17 O ATOM 749 OP2 DC C 6 4.538 -18.067 7.084 1.00 28.71 O ATOM 750 O5' DC C 6 2.741 -17.487 5.435 1.00 20.21 O ATOM 751 C5' DC C 6 1.825 -17.755 4.382 1.00 18.62 C ATOM 752 C4' DC C 6 0.981 -16.517 4.135 1.00 15.06 C ATOM 753 O4' DC C 6 -0.026 -16.428 5.182 1.00 18.09 O ATOM 754 C3' DC C 6 1.728 -15.180 4.174 1.00 16.31 C ATOM 755 O3' DC C 6 1.111 -14.320 3.219 1.00 25.84 O ATOM 756 C2' DC C 6 1.413 -14.657 5.578 1.00 15.61 C ATOM 757 C1' DC C 6 -0.047 -15.096 5.649 1.00 15.39 C ATOM 758 N1 DC C 6 -0.681 -15.039 6.991 1.00 16.61 N ATOM 759 C2 DC C 6 -2.016 -14.622 7.065 1.00 14.23 C ATOM 760 O2 DC C 6 -2.648 -14.362 6.036 1.00 18.56 O ATOM 761 N3 DC C 6 -2.602 -14.529 8.272 1.00 13.07 N ATOM 762 C4 DC C 6 -1.903 -14.797 9.377 1.00 13.81 C ATOM 763 N4 DC C 6 -2.559 -14.677 10.539 1.00 10.48 N ATOM 764 C5 DC C 6 -0.529 -15.202 9.327 1.00 17.25 C ATOM 765 C6 DC C 6 0.053 -15.269 8.122 1.00 12.50 C ATOM 766 P DG C 7 1.907 -13.719 1.963 1.00 28.04 P ATOM 767 OP1 DG C 7 2.371 -14.896 1.193 1.00 29.08 O ATOM 768 OP2 DG C 7 2.854 -12.696 2.458 1.00 25.26 O ATOM 769 O5' DG C 7 0.768 -12.939 1.149 1.00 25.16 O ATOM 770 C5' DG C 7 -0.403 -13.655 0.733 1.00 23.98 C ATOM 771 C4' DG C 7 -1.639 -12.769 0.715 1.00 16.46 C ATOM 772 O4' DG C 7 -2.146 -12.588 2.063 1.00 17.35 O ATOM 773 C3' DG C 7 -1.447 -11.366 0.152 1.00 18.70 C ATOM 774 O3' DG C 7 -2.654 -10.980 -0.502 1.00 20.73 O ATOM 775 C2' DG C 7 -1.227 -10.518 1.408 1.00 16.82 C ATOM 776 C1' DG C 7 -2.120 -11.221 2.428 1.00 10.69 C ATOM 777 N9 DG C 7 -1.621 -11.180 3.806 1.00 15.38 N ATOM 778 C8 DG C 7 -0.360 -11.509 4.247 1.00 15.63 C ATOM 779 N7 DG C 7 -0.245 -11.497 5.549 1.00 16.39 N ATOM 780 C5 DG C 7 -1.511 -11.133 5.998 1.00 12.12 C ATOM 781 C6 DG C 7 -2.014 -10.957 7.306 1.00 7.22 C ATOM 782 O6 DG C 7 -1.401 -11.087 8.377 1.00 11.08 O ATOM 783 N1 DG C 7 -3.379 -10.649 7.324 1.00 9.71 N ATOM 784 C2 DG C 7 -4.152 -10.491 6.205 1.00 14.67 C ATOM 785 N2 DG C 7 -5.422 -10.097 6.396 1.00 17.32 N ATOM 786 N3 DG C 7 -3.688 -10.649 4.975 1.00 13.71 N ATOM 787 C4 DG C 7 -2.379 -10.993 4.942 1.00 12.81 C ATOM 788 P DT C 8 -2.791 -9.520 -1.136 1.00 20.38 P ATOM 789 OP1 DT C 8 -3.885 -9.554 -2.130 1.00 17.56 O ATOM 790 OP2 DT C 8 -1.430 -9.098 -1.536 1.00 19.15 O ATOM 791 O5' DT C 8 -3.260 -8.600 0.084 1.00 19.88 O ATOM 792 C5' DT C 8 -4.551 -8.815 0.640 1.00 20.98 C ATOM 793 C4' DT C 8 -4.786 -7.915 1.841 1.00 15.80 C ATOM 794 O4' DT C 8 -3.787 -8.200 2.829 1.00 18.56 O ATOM 795 C3' DT C 8 -4.625 -6.419 1.601 1.00 19.85 C ATOM 796 O3' DT C 8 -5.922 -5.842 1.498 1.00 23.43 O ATOM 797 C2' DT C 8 -3.850 -5.877 2.810 1.00 17.91 C ATOM 798 C1' DT C 8 -3.752 -7.100 3.713 1.00 16.93 C ATOM 799 N1 DT C 8 -2.505 -7.282 4.509 1.00 16.33 N ATOM 800 C2 DT C 8 -2.619 -7.325 5.875 1.00 11.82 C ATOM 801 O2 DT C 8 -3.657 -7.023 6.432 1.00 17.82 O ATOM 802 N3 DT C 8 -1.460 -7.619 6.547 1.00 10.77 N ATOM 803 C4 DT C 8 -0.245 -7.948 5.958 1.00 14.46 C ATOM 804 O4 DT C 8 0.721 -8.322 6.615 1.00 15.48 O ATOM 805 C5 DT C 8 -0.224 -7.972 4.518 1.00 14.68 C ATOM 806 C7 DT C 8 1.031 -8.327 3.766 1.00 18.19 C ATOM 807 C6 DT C 8 -1.358 -7.687 3.870 1.00 13.44 C ATOM 808 P DT C 9 -6.098 -4.396 0.835 1.00 22.01 P ATOM 809 OP1 DT C 9 -7.486 -4.271 0.344 1.00 21.89 O ATOM 810 OP2 DT C 9 -4.961 -4.150 -0.088 1.00 19.32 O ATOM 811 O5' DT C 9 -5.924 -3.399 2.067 1.00 21.07 O ATOM 812 C5' DT C 9 -6.903 -3.360 3.111 1.00 23.07 C ATOM 813 C4' DT C 9 -6.377 -2.468 4.224 1.00 19.50 C ATOM 814 O4' DT C 9 -5.210 -3.103 4.796 1.00 16.85 O ATOM 815 C3' DT C 9 -5.870 -1.104 3.752 1.00 23.07 C ATOM 816 O3' DT C 9 -6.276 -0.120 4.685 1.00 25.80 O ATOM 817 C2' DT C 9 -4.344 -1.214 3.751 1.00 22.42 C ATOM 818 C1' DT C 9 -4.221 -2.111 4.970 1.00 15.79 C ATOM 819 N1 DT C 9 -2.925 -2.787 5.153 1.00 20.30 N ATOM 820 C2 DT C 9 -2.592 -3.068 6.463 1.00 21.07 C ATOM 821 O2 DT C 9 -3.308 -2.753 7.409 1.00 19.47 O ATOM 822 N3 DT C 9 -1.404 -3.737 6.614 1.00 12.09 N ATOM 823 C4 DT C 9 -0.534 -4.082 5.597 1.00 17.51 C ATOM 824 O4 DT C 9 0.511 -4.673 5.838 1.00 18.24 O ATOM 825 C5 DT C 9 -0.955 -3.783 4.242 1.00 16.55 C ATOM 826 C7 DT C 9 -0.046 -4.130 3.095 1.00 14.28 C ATOM 827 C6 DT C 9 -2.112 -3.119 4.077 1.00 15.02 C ATOM 828 P DG C 10 -7.531 0.786 4.297 1.00 24.36 P ATOM 829 OP1 DG C 10 -8.596 -0.163 3.908 1.00 22.05 O ATOM 830 OP2 DG C 10 -7.103 1.857 3.370 1.00 22.92 O ATOM 831 O5' DG C 10 -7.864 1.477 5.701 1.00 27.34 O ATOM 832 C5' DG C 10 -8.392 0.665 6.751 1.00 26.55 C ATOM 833 C4' DG C 10 -7.814 1.087 8.087 1.00 22.92 C ATOM 834 O4' DG C 10 -6.420 0.698 8.171 1.00 25.67 O ATOM 835 C3' DG C 10 -7.832 2.585 8.355 1.00 26.22 C ATOM 836 O3' DG C 10 -8.178 2.743 9.718 1.00 26.23 O ATOM 837 C2' DG C 10 -6.407 3.043 8.037 1.00 20.68 C ATOM 838 C1' DG C 10 -5.575 1.812 8.388 1.00 22.43 C ATOM 839 N9 DG C 10 -4.402 1.580 7.544 1.00 22.28 N ATOM 840 C8 DG C 10 -4.279 1.840 6.198 1.00 22.71 C ATOM 841 N7 DG C 10 -3.186 1.358 5.664 1.00 22.58 N ATOM 842 C5 DG C 10 -2.546 0.721 6.721 1.00 19.54 C ATOM 843 C6 DG C 10 -1.291 0.062 6.756 1.00 19.91 C ATOM 844 O6 DG C 10 -0.500 -0.137 5.820 1.00 18.23 O ATOM 845 N1 DG C 10 -0.979 -0.380 8.040 1.00 16.55 N ATOM 846 C2 DG C 10 -1.814 -0.238 9.126 1.00 13.41 C ATOM 847 N2 DG C 10 -1.352 -0.717 10.283 1.00 15.24 N ATOM 848 N3 DG C 10 -3.007 0.350 9.102 1.00 16.64 N ATOM 849 C4 DG C 10 -3.283 0.852 7.878 1.00 17.19 C ATOM 850 P DG C 11 -8.225 4.161 10.447 1.00 33.99 P ATOM 851 OP1 DG C 11 -9.181 3.990 11.571 1.00 34.18 O ATOM 852 OP2 DG C 11 -8.388 5.261 9.464 1.00 29.94 O ATOM 853 O5' DG C 11 -6.740 4.300 11.021 1.00 33.27 O ATOM 854 C5' DG C 11 -6.267 3.381 11.986 1.00 30.24 C ATOM 855 C4' DG C 11 -4.819 3.723 12.252 1.00 25.69 C ATOM 856 O4' DG C 11 -4.045 3.306 11.110 1.00 26.80 O ATOM 857 C3' DG C 11 -4.533 5.209 12.425 1.00 25.75 C ATOM 858 O3' DG C 11 -4.125 5.373 13.781 1.00 26.28 O ATOM 859 C2' DG C 11 -3.409 5.498 11.430 1.00 26.20 C ATOM 860 C1' DG C 11 -2.895 4.103 11.105 1.00 22.21 C ATOM 861 N9 DG C 11 -2.307 3.972 9.781 1.00 20.71 N ATOM 862 C8 DG C 11 -2.808 4.412 8.575 1.00 16.89 C ATOM 863 N7 DG C 11 -2.034 4.120 7.569 1.00 21.18 N ATOM 864 C5 DG C 11 -0.950 3.460 8.130 1.00 16.10 C ATOM 865 C6 DG C 11 0.232 2.943 7.542 1.00 15.62 C ATOM 866 O6 DG C 11 0.548 2.918 6.353 1.00 17.93 O ATOM 867 N1 DG C 11 1.078 2.348 8.475 1.00 12.00 N ATOM 868 C2 DG C 11 0.788 2.271 9.820 1.00 12.64 C ATOM 869 N2 DG C 11 1.705 1.680 10.593 1.00 9.12 N ATOM 870 N3 DG C 11 -0.274 2.817 10.401 1.00 12.90 N ATOM 871 C4 DG C 11 -1.114 3.357 9.494 1.00 18.27 C ATOM 872 P DC C 12 -3.682 6.747 14.466 1.00 28.93 P ATOM 873 OP1 DC C 12 -3.931 6.572 15.913 1.00 28.31 O ATOM 874 OP2 DC C 12 -4.256 7.900 13.739 1.00 31.40 O ATOM 875 O5' DC C 12 -2.094 6.787 14.268 1.00 26.73 O ATOM 876 C5' DC C 12 -1.279 5.788 14.886 1.00 26.15 C ATOM 877 C4' DC C 12 0.105 5.788 14.261 1.00 27.65 C ATOM 878 O4' DC C 12 0.018 5.378 12.875 1.00 23.34 O ATOM 879 C3' DC C 12 0.755 7.158 14.141 1.00 24.80 C ATOM 880 O3' DC C 12 1.390 7.472 15.365 1.00 34.44 O ATOM 881 C2' DC C 12 1.789 6.938 13.038 1.00 25.78 C ATOM 882 C1' DC C 12 1.230 5.745 12.260 1.00 19.39 C ATOM 883 N1 DC C 12 0.947 6.030 10.823 1.00 19.07 N ATOM 884 C2 DC C 12 1.881 5.620 9.871 1.00 11.82 C ATOM 885 O2 DC C 12 2.895 5.023 10.255 1.00 16.42 O ATOM 886 N3 DC C 12 1.627 5.852 8.561 1.00 16.60 N ATOM 887 C4 DC C 12 0.502 6.479 8.199 1.00 15.86 C ATOM 888 N4 DC C 12 0.306 6.685 6.894 1.00 21.14 N ATOM 889 C5 DC C 12 -0.456 6.933 9.155 1.00 17.74 C ATOM 890 C6 DC C 12 -0.189 6.692 10.450 1.00 17.96 C TER 891 DC C 12 HETATM 892 ZN ZN A 300 -13.545 -6.410 25.110 1.00 13.85 ZN HETATM 893 ZN ZN A 301 0.511 -12.982 25.578 1.00 13.56 ZN HETATM 894 C1 PEG A 1 -5.800 -18.082 30.179 1.00 67.25 C HETATM 895 O1 PEG A 1 -4.627 -18.230 30.986 1.00 66.71 O HETATM 896 C2 PEG A 1 -5.464 -17.342 28.888 1.00 68.04 C HETATM 897 O2 PEG A 1 -6.657 -16.765 28.354 1.00 69.88 O HETATM 898 C3 PEG A 1 -7.218 -17.536 27.291 1.00 70.57 C HETATM 899 C4 PEG A 1 -8.529 -18.173 27.745 1.00 70.96 C HETATM 900 O4 PEG A 1 -8.328 -19.581 27.902 1.00 68.80 O HETATM 901 C1 PEG A 2 -14.124 -0.653 19.330 1.00 59.97 C HETATM 902 O1 PEG A 2 -14.753 0.461 19.975 1.00 56.74 O HETATM 903 C2 PEG A 2 -14.576 -0.744 17.873 1.00 61.70 C HETATM 904 O2 PEG A 2 -14.339 -2.052 17.338 1.00 60.60 O HETATM 905 C3 PEG A 2 -13.006 -2.193 16.833 1.00 63.16 C HETATM 906 C4 PEG A 2 -12.963 -3.204 15.692 1.00 62.90 C HETATM 907 O4 PEG A 2 -12.143 -4.329 16.046 1.00 66.73 O HETATM 908 P PO4 C 13 -1.863 -4.348 -2.797 1.00144.43 P HETATM 909 O1 PO4 C 13 -0.740 -4.384 -3.767 1.00144.90 O HETATM 910 O2 PO4 C 13 -2.564 -3.031 -2.994 1.00143.77 O HETATM 911 O3 PO4 C 13 -2.749 -5.526 -2.868 1.00142.34 O HETATM 912 O4 PO4 C 13 -1.262 -4.407 -1.415 1.00143.52 O HETATM 913 O HOH A 3 -7.692 -12.426 13.410 1.00 15.69 O HETATM 914 O HOH A 4 -0.917 -7.997 21.530 1.00 15.00 O HETATM 915 O HOH A 5 1.022 -13.298 17.377 1.00 14.16 O HETATM 916 O HOH A 6 -0.993 -20.309 25.099 1.00 23.40 O HETATM 917 O HOH A 7 2.447 -9.236 12.091 1.00 23.35 O HETATM 918 O HOH A 8 -3.493 -17.073 13.141 1.00 10.69 O HETATM 919 O HOH A 9 -17.364 -5.631 28.395 1.00 19.57 O HETATM 920 O HOH A 10 -10.871 -12.308 17.008 1.00 11.46 O HETATM 921 O HOH A 13 2.926 -12.003 15.621 1.00 24.73 O HETATM 922 O HOH A 15 -10.018 -8.727 20.391 1.00 15.03 O HETATM 923 O HOH A 16 -14.053 -7.231 32.249 1.00 13.36 O HETATM 924 O HOH A 18 6.484 -7.729 17.488 1.00 15.33 O HETATM 925 O HOH A 19 2.886 -4.533 25.171 1.00 24.83 O HETATM 926 O HOH A 20 13.038 -10.868 17.031 1.00 8.99 O HETATM 927 O HOH A 23 5.666 -9.675 15.041 1.00 17.21 O HETATM 928 O HOH A 25 9.702 -16.357 20.745 1.00 16.62 O HETATM 929 O HOH A 28 -7.062 -4.856 32.097 1.00 25.62 O HETATM 930 O HOH A 29 -9.086 -6.534 22.709 1.00 23.25 O HETATM 931 O HOH A 31 -0.443 -9.170 16.893 1.00 21.81 O HETATM 932 O HOH A 32 -7.319 -10.307 30.290 1.00 24.74 O HETATM 933 O HOH A 33 3.668 -11.658 5.035 1.00 18.31 O HETATM 934 O HOH A 223 -5.999 -4.672 24.817 1.00 12.68 O HETATM 935 O HOH B 13 -5.767 -11.286 17.201 1.00 10.44 O HETATM 936 O HOH B 14 -9.432 -10.397 18.366 1.00 14.99 O HETATM 937 O HOH B 24 -5.479 -5.464 11.242 1.00 12.90 O HETATM 938 O HOH B 27 -10.255 -12.279 14.243 1.00 21.44 O HETATM 939 O HOH B 30 -3.159 -28.174 7.881 1.00 19.84 O HETATM 940 O HOH C 15 -6.843 -19.626 13.341 1.00 20.81 O HETATM 941 O HOH C 16 -3.085 -14.804 3.483 1.00 13.70 O HETATM 942 O HOH C 17 -0.735 0.405 3.335 1.00 15.31 O HETATM 943 O HOH C 21 -2.711 -2.968 0.709 1.00 18.59 O HETATM 944 O HOH C 22 -1.051 -6.871 0.516 1.00 18.47 O HETATM 945 O HOH C 26 -4.915 1.882 1.789 1.00 13.22 O CONECT 30 892 CONECT 49 892 CONECT 65 892 CONECT 117 893 CONECT 137 893 CONECT 162 893 CONECT 281 893 CONECT 326 892 CONECT 892 30 49 65 326 CONECT 893 117 137 162 281 CONECT 894 895 896 CONECT 895 894 CONECT 896 894 897 CONECT 897 896 898 CONECT 898 897 899 CONECT 899 898 900 CONECT 900 899 CONECT 901 902 903 CONECT 902 901 CONECT 903 901 904 CONECT 904 903 905 CONECT 905 904 906 CONECT 906 905 907 CONECT 907 906 CONECT 908 909 910 911 912 CONECT 909 908 CONECT 910 908 CONECT 911 908 CONECT 912 908 MASTER 451 0 5 5 0 0 5 6 942 3 29 9 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3qmi
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
CXXC Domain of CFP1
Ligand Name
DNA (nonmethylated CpG island) 5-GCCAACGTTGGC-3
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=12uM
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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