USER MOD reduce.3.24.130724 H: found=0, std=0, add=204, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 210 hydrogens (6 hets) HEADER DNA 11-JAN-02 1KSB TITLE RELATIONSHIP OF SOLUTION AND PROTEIN-BOUND STRUCTURES OF DNA DUPLEXES TITLE 2 WITH THE MAJOR INTRASTRAND CROSS-LINK LESIONS FORMED ON CISPLATIN TITLE 3 BINDING TO DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*TP*CP*CP*GP*GP*CP*CP*T)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: CISPLATIN INTRASTRAND CROSS-LINK DNA; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-D(*AP*GP*GP*CP*CP*GP*GP*AP*G)-3'; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DEOXYRIBONUCLEIC ACID, CISPLATIN, DNA, DUPLEX, 9-MER, INTRASTRAND KEYWDS 2 CROSS-LINK, MODEL J EXPDTA SOLUTION NMR AUTHOR L.G.MARZILLI,J.S.SAAD,Z.KUKLENYIK,K.A.KEATING,Y.XU REVDAT 4 13-JUL-11 1KSB 1 VERSN REVDAT 3 23-JUN-10 1KSB 1 HET REVDAT 2 24-FEB-09 1KSB 1 VERSN REVDAT 1 17-JAN-02 1KSB 0 JRNL AUTH L.G.MARZILLI,J.S.SAAD,Z.KUKLENYIK,K.A.KEATING,Y.XU JRNL TITL RELATIONSHIP OF SOLUTION AND PROTEIN-BOUND STRUCTURES OF DNA JRNL TITL 2 DUPLEXES WITH THE MAJOR INTRASTRAND CROSS-LINK LESIONS JRNL TITL 3 FORMED ON CISPLATIN BINDING TO DNA. JRNL REF J.AM.CHEM.SOC. V. 123 2764 2001 JRNL REFN ISSN 0002-7863 JRNL PMID 11456962 JRNL DOI 10.1021/JA0007915 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER, IRMA REMARK 3 AUTHORS : BIOSYM/MSI (DISCOVER), BIOSYM/MSI (IRMA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 NOE-RESTRAINED REFINEMENT REMARK 3 (DETAILS CAN BE FOUND IN THE PAPER) REMARK 4 REMARK 4 1KSB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JAN-02. REMARK 100 THE RCSB ID CODE IS RCSB015290. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : PLATINATED 9-MER DUPLEX REMARK 210 DISSOLVED IN D2O/H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : OMEGA; UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : GE; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97.0, INSIGHT II, CURVES REMARK 210 METHOD USED : AMBER REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 2D 1H-31P PHASE-SENSITIVE REVERSE CHEMICAL SHIFT REMARK 210 CORRELATION (RCSC) AND 1H-13C MAGNITUDE MODE HMQC EXPERIMENTS REMARK 210 WERE PERFORMED. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DC B 4 C5' DC B 4 C4' 0.046 REMARK 500 DC B 4 O3' DC B 4 C3' -0.110 REMARK 500 DC B 5 O3' DC B 5 C3' -0.050 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT A 2 O4' - C4' - C3' ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = -4.6 DEGREES REMARK 500 DG A 5 O4' - C1' - C2' ANGL. DEV. = 6.5 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DG B 2 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES REMARK 500 DG B 2 O4' - C1' - N9 ANGL. DEV. = 7.4 DEGREES REMARK 500 DG B 3 O4' - C4' - C3' ANGL. DEV. = 4.1 DEGREES REMARK 500 DG B 3 C3' - C2' - C1' ANGL. DEV. = 9.5 DEGREES REMARK 500 DG B 3 O4' - C1' - N9 ANGL. DEV. = 6.9 DEGREES REMARK 500 DG B 3 N3 - C4 - C5 ANGL. DEV. = -3.2 DEGREES REMARK 500 DC B 5 O4' - C1' - C2' ANGL. DEV. = 3.3 DEGREES REMARK 500 DA B 8 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 8 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DG B 9 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 1 0.07 SIDE CHAIN REMARK 500 DG B 2 0.11 SIDE CHAIN REMARK 500 DG B 3 0.11 SIDE CHAIN REMARK 500 DC B 4 0.09 SIDE CHAIN REMARK 500 DG B 6 0.07 SIDE CHAIN 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 CPT A 10 PT1 REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG A 5 N7 REMARK 620 2 CPT A 10 N1 178.5 REMARK 620 3 CPT A 10 N2 90.4 90.4 REMARK 620 4 DG A 6 N7 88.6 90.5 178.2 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 CPT A 10 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CKT RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HMG1 DOMAIN A BOUND TO A CISPLATIN- REMARK 900 MODIFIED DNA DUPLEX REMARK 900 RELATED ID: 1A84 RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF A DNA DODECAMER DUPLEX CONTAINING REMARK 900 A CIS-DIAMMINEPLATINUM(II) D(GPG) INTRASTRAND CROSS-LINK, REMARK 900 THE MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN DBREF 1KSB A 1 9 PDB 1KSB 1KSB 1 9 DBREF 1KSB B 1 9 PDB 1KSB 1KSB 1 9 SEQRES 1 A 9 DC DT DC DC DG DG DC DC DT SEQRES 1 B 9 DA DG DG DC DC DG DG DA DG HET CPT A 10 9 HETNAM CPT CISPLATIN HETSYN CPT DIAMMINE(DICHLORO)PLATINUM FORMUL 3 CPT CL2 H6 N2 PT LINK PT1 CPT A 10 N7 DG A 5 1555 1555 2.01 LINK PT1 CPT A 10 N7 DG A 6 1555 1555 2.01 SITE *** AC1 2 DG A 5 DG A 6 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= -1.86! (180deg=-1.86!) USER MOD Single : A 9 DT C7 :methyl 150:sc= -1.67! (180deg=-1.67!) USER MOD Single : A 9 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc=-0.000186 USER MOD Single : B 9 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.241 -9.818 8.054 1.00 0.00 O ATOM 2 C5' DC A 1 3.894 -9.960 9.410 1.00 0.00 C ATOM 3 C4' DC A 1 3.314 -8.640 9.921 1.00 0.00 C ATOM 4 O4' DC A 1 4.394 -7.749 10.090 1.00 0.00 O ATOM 5 C3' DC A 1 2.242 -7.927 9.056 1.00 0.00 C ATOM 6 O3' DC A 1 1.010 -8.067 9.738 1.00 0.00 O ATOM 7 C2' DC A 1 2.784 -6.503 8.961 1.00 0.00 C ATOM 8 C1' DC A 1 3.895 -6.442 9.963 1.00 0.00 C ATOM 9 N1 DC A 1 4.947 -5.508 9.550 1.00 0.00 N ATOM 10 C2 DC A 1 5.050 -4.268 10.182 1.00 0.00 C ATOM 11 O2 DC A 1 4.206 -3.910 10.998 1.00 0.00 O ATOM 12 N3 DC A 1 6.113 -3.468 9.865 1.00 0.00 N ATOM 13 C4 DC A 1 6.995 -3.820 8.936 1.00 0.00 C ATOM 14 N4 DC A 1 8.046 -3.023 8.707 1.00 0.00 N ATOM 15 C5 DC A 1 6.831 -5.038 8.181 1.00 0.00 C ATOM 16 C6 DC A 1 5.800 -5.844 8.531 1.00 0.00 C ATOM 0 H5' DC A 1 4.771 -10.237 9.995 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.165 -10.762 9.529 1.00 0.00 H new ATOM 0 H4' DC A 1 2.779 -8.910 10.831 1.00 0.00 H new ATOM 0 H3' DC A 1 2.062 -8.311 8.052 1.00 0.00 H new ATOM 0 H2' DC A 1 3.147 -6.285 7.956 1.00 0.00 H new ATOM 0 H2'' DC A 1 2.009 -5.770 9.186 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.615 -10.661 7.722 1.00 0.00 H new ATOM 0 H1' DC A 1 3.527 -6.071 10.920 1.00 0.00 H new ATOM 0 H41 DC A 1 8.734 -3.277 7.998 1.00 0.00 H new ATOM 0 H42 DC A 1 8.159 -2.162 9.242 1.00 0.00 H new ATOM 0 H5 DC A 1 7.500 -5.296 7.373 1.00 0.00 H new ATOM 0 H6 DC A 1 5.647 -6.770 7.996 1.00 0.00 H new ATOM 29 P DT A 2 -0.359 -7.456 9.167 1.00 0.00 P ATOM 30 OP1 DT A 2 -1.495 -8.033 9.919 1.00 0.00 O ATOM 31 OP2 DT A 2 -0.335 -7.522 7.689 1.00 0.00 O ATOM 32 O5' DT A 2 -0.198 -5.932 9.598 1.00 0.00 O ATOM 33 C5' DT A 2 -0.186 -5.519 10.950 1.00 0.00 C ATOM 34 C4' DT A 2 -0.376 -4.013 10.908 1.00 0.00 C ATOM 35 O4' DT A 2 0.852 -3.477 10.499 1.00 0.00 O ATOM 36 C3' DT A 2 -1.474 -3.630 9.898 1.00 0.00 C ATOM 37 O3' DT A 2 -2.360 -2.747 10.551 1.00 0.00 O ATOM 38 C2' DT A 2 -0.658 -3.031 8.718 1.00 0.00 C ATOM 39 C1' DT A 2 0.583 -2.567 9.479 1.00 0.00 C ATOM 40 N1 DT A 2 1.809 -2.371 8.720 1.00 0.00 N ATOM 41 C2 DT A 2 2.604 -1.262 9.038 1.00 0.00 C ATOM 42 O2 DT A 2 2.287 -0.397 9.856 1.00 0.00 O ATOM 43 N3 DT A 2 3.812 -1.178 8.373 1.00 0.00 N ATOM 44 C4 DT A 2 4.266 -2.054 7.398 1.00 0.00 C ATOM 45 O4 DT A 2 5.297 -1.814 6.778 1.00 0.00 O ATOM 46 C5 DT A 2 3.428 -3.223 7.207 1.00 0.00 C ATOM 47 C7 DT A 2 3.871 -4.240 6.185 1.00 0.00 C ATOM 48 C6 DT A 2 2.246 -3.357 7.867 1.00 0.00 C ATOM 0 H5' DT A 2 0.754 -5.784 11.434 1.00 0.00 H new ATOM 0 H5'' DT A 2 -0.983 -6.001 11.516 1.00 0.00 H new ATOM 0 H4' DT A 2 -0.682 -3.631 11.882 1.00 0.00 H new ATOM 0 H3' DT A 2 -2.113 -4.429 9.521 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.427 -3.770 7.951 1.00 0.00 H new ATOM 0 H2'' DT A 2 -1.177 -2.210 8.224 1.00 0.00 H new ATOM 0 H1' DT A 2 0.312 -1.570 9.828 1.00 0.00 H new ATOM 0 H3 DT A 2 4.425 -0.402 8.621 1.00 0.00 H new ATOM 0 H71 DT A 2 3.527 -5.230 6.484 1.00 0.00 H new ATOM 0 H72 DT A 2 3.448 -3.987 5.213 1.00 0.00 H new ATOM 0 H73 DT A 2 4.959 -4.239 6.119 1.00 0.00 H new ATOM 0 H6 DT A 2 1.647 -4.244 7.720 1.00 0.00 H new ATOM 61 P DC A 3 -3.540 -1.997 9.769 1.00 0.00 P ATOM 62 OP1 DC A 3 -4.620 -1.658 10.722 1.00 0.00 O ATOM 63 OP2 DC A 3 -3.850 -2.729 8.519 1.00 0.00 O ATOM 64 O5' DC A 3 -2.722 -0.674 9.403 1.00 0.00 O ATOM 65 C5' DC A 3 -2.238 0.200 10.407 1.00 0.00 C ATOM 66 C4' DC A 3 -1.795 1.515 9.765 1.00 0.00 C ATOM 67 O4' DC A 3 -0.538 1.395 9.140 1.00 0.00 O ATOM 68 C3' DC A 3 -2.809 1.991 8.722 1.00 0.00 C ATOM 69 O3' DC A 3 -3.440 3.150 9.250 1.00 0.00 O ATOM 70 C2' DC A 3 -2.006 2.215 7.460 1.00 0.00 C ATOM 71 C1' DC A 3 -0.551 2.104 7.915 1.00 0.00 C ATOM 72 N1 DC A 3 0.331 1.348 7.021 1.00 0.00 N ATOM 73 C2 DC A 3 1.666 1.746 6.932 1.00 0.00 C ATOM 74 O2 DC A 3 2.078 2.708 7.574 1.00 0.00 O ATOM 75 N3 DC A 3 2.509 1.030 6.136 1.00 0.00 N ATOM 76 C4 DC A 3 2.121 -0.092 5.548 1.00 0.00 C ATOM 77 N4 DC A 3 2.989 -0.703 4.728 1.00 0.00 N ATOM 78 C5 DC A 3 0.801 -0.633 5.792 1.00 0.00 C ATOM 79 C6 DC A 3 -0.061 0.133 6.517 1.00 0.00 C ATOM 0 H5' DC A 3 -1.402 -0.260 10.933 1.00 0.00 H new ATOM 0 H5'' DC A 3 -3.016 0.388 11.147 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.726 2.242 10.574 1.00 0.00 H new ATOM 0 H3' DC A 3 -3.612 1.292 8.488 1.00 0.00 H new ATOM 0 H2' DC A 3 -2.243 1.471 6.700 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.213 3.192 7.025 1.00 0.00 H new ATOM 0 H1' DC A 3 -0.181 3.128 7.961 1.00 0.00 H new ATOM 0 H41 DC A 3 2.724 -1.569 4.258 1.00 0.00 H new ATOM 0 H42 DC A 3 3.914 -0.302 4.574 1.00 0.00 H new ATOM 0 H5 DC A 3 0.512 -1.603 5.415 1.00 0.00 H new ATOM 0 H6 DC A 3 -1.066 -0.220 6.698 1.00 0.00 H new ATOM 91 P DC A 4 -4.617 3.947 8.489 1.00 0.00 P ATOM 92 OP1 DC A 4 -5.341 4.763 9.488 1.00 0.00 O ATOM 93 OP2 DC A 4 -5.361 2.982 7.649 1.00 0.00 O ATOM 94 O5' DC A 4 -3.824 4.942 7.506 1.00 0.00 O ATOM 95 C5' DC A 4 -3.187 6.123 7.952 1.00 0.00 C ATOM 96 C4' DC A 4 -2.526 6.825 6.758 1.00 0.00 C ATOM 97 O4' DC A 4 -1.286 6.212 6.501 1.00 0.00 O ATOM 98 C3' DC A 4 -3.332 6.812 5.450 1.00 0.00 C ATOM 99 O3' DC A 4 -4.113 8.009 5.532 1.00 0.00 O ATOM 100 C2' DC A 4 -2.174 7.029 4.439 1.00 0.00 C ATOM 101 C1' DC A 4 -0.938 6.439 5.148 1.00 0.00 C ATOM 102 N1 DC A 4 -0.486 5.125 4.688 1.00 0.00 N ATOM 103 C2 DC A 4 0.785 4.959 4.139 1.00 0.00 C ATOM 104 O2 DC A 4 1.565 5.903 4.070 1.00 0.00 O ATOM 105 N3 DC A 4 1.135 3.718 3.676 1.00 0.00 N ATOM 106 C4 DC A 4 0.292 2.691 3.721 1.00 0.00 C ATOM 107 N4 DC A 4 0.712 1.511 3.242 1.00 0.00 N ATOM 108 C5 DC A 4 -1.014 2.845 4.324 1.00 0.00 C ATOM 109 C6 DC A 4 -1.328 4.057 4.794 1.00 0.00 C ATOM 0 H5' DC A 4 -2.439 5.883 8.707 1.00 0.00 H new ATOM 0 H5'' DC A 4 -3.913 6.786 8.422 1.00 0.00 H new ATOM 0 H4' DC A 4 -2.440 7.870 7.055 1.00 0.00 H new ATOM 0 H3' DC A 4 -3.965 5.953 5.225 1.00 0.00 H new ATOM 0 H2' DC A 4 -2.370 6.523 3.494 1.00 0.00 H new ATOM 0 H2'' DC A 4 -2.036 8.086 4.212 1.00 0.00 H new ATOM 0 H1' DC A 4 -0.147 7.163 4.953 1.00 0.00 H new ATOM 0 H41 DC A 4 0.091 0.702 3.261 1.00 0.00 H new ATOM 0 H42 DC A 4 1.653 1.422 2.858 1.00 0.00 H new ATOM 0 H5 DC A 4 -1.705 2.018 4.392 1.00 0.00 H new ATOM 0 H6 DC A 4 -2.285 4.196 5.276 1.00 0.00 H new ATOM 121 P DG A 5 -5.158 8.504 4.400 1.00 0.00 P ATOM 122 OP1 DG A 5 -6.067 9.498 5.014 1.00 0.00 O ATOM 123 OP2 DG A 5 -5.702 7.257 3.821 1.00 0.00 O ATOM 124 O5' DG A 5 -4.291 9.243 3.274 1.00 0.00 O ATOM 125 C5' DG A 5 -3.669 10.499 3.487 1.00 0.00 C ATOM 126 C4' DG A 5 -2.748 10.794 2.299 1.00 0.00 C ATOM 127 O4' DG A 5 -1.750 9.808 2.292 1.00 0.00 O ATOM 128 C3' DG A 5 -3.489 10.706 0.961 1.00 0.00 C ATOM 129 O3' DG A 5 -3.869 11.990 0.522 1.00 0.00 O ATOM 130 C2' DG A 5 -2.524 10.022 -0.013 1.00 0.00 C ATOM 131 C1' DG A 5 -1.682 9.268 0.996 1.00 0.00 C ATOM 132 N9 DG A 5 -1.895 7.845 0.996 1.00 0.00 N ATOM 133 C8 DG A 5 -3.085 7.214 1.016 1.00 0.00 C ATOM 134 N7 DG A 5 -3.020 5.959 0.715 1.00 0.00 N ATOM 135 C5 DG A 5 -1.651 5.689 0.707 1.00 0.00 C ATOM 136 C6 DG A 5 -0.927 4.469 0.559 1.00 0.00 C ATOM 137 O6 DG A 5 -1.387 3.339 0.430 1.00 0.00 O ATOM 138 N1 DG A 5 0.461 4.676 0.579 1.00 0.00 N ATOM 139 C2 DG A 5 1.068 5.895 0.726 1.00 0.00 C ATOM 140 N2 DG A 5 2.407 5.929 0.718 1.00 0.00 N ATOM 141 N3 DG A 5 0.399 7.029 0.871 1.00 0.00 N ATOM 142 C4 DG A 5 -0.952 6.865 0.859 1.00 0.00 C ATOM 0 H5' DG A 5 -3.097 10.486 4.415 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.421 11.282 3.587 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.352 11.804 2.408 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.413 10.134 1.042 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.031 9.363 -0.718 1.00 0.00 H new ATOM 0 H2'' DG A 5 -1.943 10.732 -0.602 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.659 9.414 0.648 1.00 0.00 H new ATOM 0 H8 DG A 5 -4.011 7.713 1.262 1.00 0.00 H new ATOM 0 H1 DG A 5 1.062 3.858 0.477 1.00 0.00 H new ATOM 0 H21 DG A 5 2.895 6.818 0.825 1.00 0.00 H new ATOM 0 H22 DG A 5 2.938 5.066 0.605 1.00 0.00 H new ATOM 154 P DG A 6 -5.300 12.224 -0.174 1.00 0.00 P ATOM 155 OP1 DG A 6 -5.455 13.672 -0.437 1.00 0.00 O ATOM 156 OP2 DG A 6 -6.318 11.511 0.630 1.00 0.00 O ATOM 157 O5' DG A 6 -5.136 11.452 -1.578 1.00 0.00 O ATOM 158 C5' DG A 6 -4.186 11.868 -2.540 1.00 0.00 C ATOM 159 C4' DG A 6 -4.236 10.968 -3.773 1.00 0.00 C ATOM 160 O4' DG A 6 -3.681 9.698 -3.505 1.00 0.00 O ATOM 161 C3' DG A 6 -5.666 10.734 -4.262 1.00 0.00 C ATOM 162 O3' DG A 6 -5.689 10.825 -5.674 1.00 0.00 O ATOM 163 C2' DG A 6 -5.936 9.312 -3.868 1.00 0.00 C ATOM 164 C1' DG A 6 -4.540 8.741 -4.086 1.00 0.00 C ATOM 165 N9 DG A 6 -4.358 7.492 -3.380 1.00 0.00 N ATOM 166 C8 DG A 6 -4.701 7.211 -2.096 1.00 0.00 C ATOM 167 N7 DG A 6 -4.409 5.990 -1.725 1.00 0.00 N ATOM 168 C5 DG A 6 -3.812 5.441 -2.861 1.00 0.00 C ATOM 169 C6 DG A 6 -3.285 4.141 -3.103 1.00 0.00 C ATOM 170 O6 DG A 6 -3.221 3.207 -2.314 1.00 0.00 O ATOM 171 N1 DG A 6 -2.803 4.005 -4.410 1.00 0.00 N ATOM 172 C2 DG A 6 -2.778 4.999 -5.347 1.00 0.00 C ATOM 173 N2 DG A 6 -2.237 4.710 -6.537 1.00 0.00 N ATOM 174 N3 DG A 6 -3.249 6.214 -5.124 1.00 0.00 N ATOM 175 C4 DG A 6 -3.762 6.371 -3.872 1.00 0.00 C ATOM 0 H5' DG A 6 -3.187 11.843 -2.106 1.00 0.00 H new ATOM 0 H5'' DG A 6 -4.382 12.900 -2.829 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.661 11.491 -4.537 1.00 0.00 H new ATOM 0 H3' DG A 6 -6.386 11.446 -3.857 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.274 9.217 -2.836 1.00 0.00 H new ATOM 0 H2'' DG A 6 -6.689 8.836 -4.496 1.00 0.00 H new ATOM 0 H1' DG A 6 -4.356 8.549 -5.143 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.172 7.929 -1.441 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.442 3.091 -4.685 1.00 0.00 H new ATOM 0 H21 DG A 6 -2.198 5.422 -7.266 1.00 0.00 H new ATOM 0 H22 DG A 6 -1.864 3.777 -6.715 1.00 0.00 H new ATOM 187 P DC A 7 -6.976 11.267 -6.515 1.00 0.00 P ATOM 188 OP1 DC A 7 -6.903 12.714 -6.810 1.00 0.00 O ATOM 189 OP2 DC A 7 -8.192 10.679 -5.911 1.00 0.00 O ATOM 190 O5' DC A 7 -6.620 10.435 -7.828 1.00 0.00 O ATOM 191 C5' DC A 7 -5.419 10.596 -8.563 1.00 0.00 C ATOM 192 C4' DC A 7 -5.301 9.427 -9.547 1.00 0.00 C ATOM 193 O4' DC A 7 -4.909 8.238 -8.886 1.00 0.00 O ATOM 194 C3' DC A 7 -6.647 9.144 -10.215 1.00 0.00 C ATOM 195 O3' DC A 7 -6.389 9.019 -11.615 1.00 0.00 O ATOM 196 C2' DC A 7 -7.191 7.919 -9.506 1.00 0.00 C ATOM 197 C1' DC A 7 -5.907 7.244 -9.047 1.00 0.00 C ATOM 198 N1 DC A 7 -6.100 6.554 -7.762 1.00 0.00 N ATOM 199 C2 DC A 7 -5.744 5.195 -7.676 1.00 0.00 C ATOM 200 O2 DC A 7 -5.225 4.597 -8.618 1.00 0.00 O ATOM 201 N3 DC A 7 -5.979 4.529 -6.509 1.00 0.00 N ATOM 202 C4 DC A 7 -6.557 5.130 -5.482 1.00 0.00 C ATOM 203 N4 DC A 7 -6.748 4.460 -4.338 1.00 0.00 N ATOM 204 C5 DC A 7 -6.951 6.507 -5.549 1.00 0.00 C ATOM 205 C6 DC A 7 -6.675 7.211 -6.684 1.00 0.00 C ATOM 0 H5' DC A 7 -4.561 10.615 -7.891 1.00 0.00 H new ATOM 0 H5'' DC A 7 -5.425 11.545 -9.099 1.00 0.00 H new ATOM 0 H4' DC A 7 -4.553 9.715 -10.286 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.411 9.917 -10.133 1.00 0.00 H new ATOM 0 H2' DC A 7 -7.839 8.182 -8.670 1.00 0.00 H new ATOM 0 H2'' DC A 7 -7.774 7.283 -10.173 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.611 6.507 -9.794 1.00 0.00 H new ATOM 0 H41 DC A 7 -7.193 4.922 -3.545 1.00 0.00 H new ATOM 0 H42 DC A 7 -6.448 3.488 -4.260 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.456 6.977 -4.718 1.00 0.00 H new ATOM 0 H6 DC A 7 -6.901 8.265 -6.743 1.00 0.00 H new ATOM 217 P DC A 8 -7.514 8.703 -12.728 1.00 0.00 P ATOM 218 OP1 DC A 8 -6.935 8.936 -14.071 1.00 0.00 O ATOM 219 OP2 DC A 8 -8.763 9.392 -12.338 1.00 0.00 O ATOM 220 O5' DC A 8 -7.737 7.125 -12.555 1.00 0.00 O ATOM 221 C5' DC A 8 -6.793 6.159 -12.978 1.00 0.00 C ATOM 222 C4' DC A 8 -7.378 4.767 -12.730 1.00 0.00 C ATOM 223 O4' DC A 8 -7.312 4.462 -11.359 1.00 0.00 O ATOM 224 C3' DC A 8 -8.852 4.651 -13.149 1.00 0.00 C ATOM 225 O3' DC A 8 -8.921 3.848 -14.321 1.00 0.00 O ATOM 226 C2' DC A 8 -9.560 4.093 -11.939 1.00 0.00 C ATOM 227 C1' DC A 8 -8.401 3.621 -11.068 1.00 0.00 C ATOM 228 N1 DC A 8 -8.679 3.763 -9.641 1.00 0.00 N ATOM 229 C2 DC A 8 -8.318 2.727 -8.781 1.00 0.00 C ATOM 230 O2 DC A 8 -7.678 1.762 -9.190 1.00 0.00 O ATOM 231 N3 DC A 8 -8.681 2.821 -7.472 1.00 0.00 N ATOM 232 C4 DC A 8 -9.326 3.879 -7.000 1.00 0.00 C ATOM 233 N4 DC A 8 -9.624 3.873 -5.691 1.00 0.00 N ATOM 234 C5 DC A 8 -9.627 5.010 -7.860 1.00 0.00 C ATOM 235 C6 DC A 8 -9.260 4.911 -9.164 1.00 0.00 C ATOM 0 H5' DC A 8 -5.857 6.279 -12.432 1.00 0.00 H new ATOM 0 H5'' DC A 8 -6.564 6.291 -14.036 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.787 4.078 -13.333 1.00 0.00 H new ATOM 0 H3' DC A 8 -9.334 5.589 -13.423 1.00 0.00 H new ATOM 0 H2' DC A 8 -10.163 4.849 -11.437 1.00 0.00 H new ATOM 0 H2'' DC A 8 -10.230 3.274 -12.202 1.00 0.00 H new ATOM 0 H1' DC A 8 -8.216 2.567 -11.276 1.00 0.00 H new ATOM 0 H41 DC A 8 -10.120 4.663 -5.277 1.00 0.00 H new ATOM 0 H42 DC A 8 -9.355 3.079 -5.110 1.00 0.00 H new ATOM 0 H5 DC A 8 -10.121 5.892 -7.479 1.00 0.00 H new ATOM 0 H6 DC A 8 -9.427 5.743 -9.832 1.00 0.00 H new ATOM 247 P DT A 9 -10.297 3.271 -14.942 1.00 0.00 P ATOM 248 OP1 DT A 9 -10.069 2.958 -16.369 1.00 0.00 O ATOM 249 OP2 DT A 9 -11.403 4.176 -14.554 1.00 0.00 O ATOM 250 O5' DT A 9 -10.498 1.882 -14.148 1.00 0.00 O ATOM 251 C5' DT A 9 -9.578 0.807 -14.235 1.00 0.00 C ATOM 252 C4' DT A 9 -10.111 -0.363 -13.402 1.00 0.00 C ATOM 253 O4' DT A 9 -10.056 -0.001 -12.045 1.00 0.00 O ATOM 254 C3' DT A 9 -11.577 -0.701 -13.699 1.00 0.00 C ATOM 255 O3' DT A 9 -11.714 -1.987 -14.275 1.00 0.00 O ATOM 256 C2' DT A 9 -12.349 -0.578 -12.420 1.00 0.00 C ATOM 257 C1' DT A 9 -11.215 -0.499 -11.411 1.00 0.00 C ATOM 258 N1 DT A 9 -11.545 0.382 -10.302 1.00 0.00 N ATOM 259 C2 DT A 9 -11.578 -0.104 -8.999 1.00 0.00 C ATOM 260 O2 DT A 9 -11.380 -1.281 -8.707 1.00 0.00 O ATOM 261 N3 DT A 9 -11.867 0.835 -8.023 1.00 0.00 N ATOM 262 C4 DT A 9 -12.145 2.179 -8.231 1.00 0.00 C ATOM 263 O4 DT A 9 -12.407 2.907 -7.279 1.00 0.00 O ATOM 264 C5 DT A 9 -12.111 2.590 -9.625 1.00 0.00 C ATOM 265 C7 DT A 9 -12.459 4.029 -9.948 1.00 0.00 C ATOM 266 C6 DT A 9 -11.819 1.684 -10.600 1.00 0.00 C ATOM 0 H5' DT A 9 -8.599 1.117 -13.869 1.00 0.00 H new ATOM 0 H5'' DT A 9 -9.448 0.503 -15.274 1.00 0.00 H new ATOM 0 H4' DT A 9 -9.496 -1.229 -13.648 1.00 0.00 H new ATOM 0 H3' DT A 9 -11.974 -0.003 -14.436 1.00 0.00 H new ATOM 0 H2' DT A 9 -12.981 0.310 -12.402 1.00 0.00 H new ATOM 0 H2'' DT A 9 -12.999 -1.435 -12.245 1.00 0.00 H new ATOM 0 HO3' DT A 9 -12.661 -2.168 -14.449 1.00 0.00 H new ATOM 0 H1' DT A 9 -11.047 -1.504 -11.023 1.00 0.00 H new ATOM 0 H3 DT A 9 -11.877 0.507 -7.057 1.00 0.00 H new ATOM 0 H71 DT A 9 -11.917 4.343 -10.840 1.00 0.00 H new ATOM 0 H72 DT A 9 -13.531 4.113 -10.127 1.00 0.00 H new ATOM 0 H73 DT A 9 -12.180 4.668 -9.110 1.00 0.00 H new ATOM 0 H6 DT A 9 -11.804 2.004 -11.631 1.00 0.00 H new TER 280 DT A 9 ATOM 281 O5' DA B 1 -13.786 -3.074 2.589 1.00 0.00 O ATOM 282 C5' DA B 1 -14.131 -3.992 1.574 1.00 0.00 C ATOM 283 C4' DA B 1 -13.066 -4.040 0.475 1.00 0.00 C ATOM 284 O4' DA B 1 -13.246 -2.979 -0.433 1.00 0.00 O ATOM 285 C3' DA B 1 -11.607 -3.963 0.961 1.00 0.00 C ATOM 286 O3' DA B 1 -10.966 -5.187 0.691 1.00 0.00 O ATOM 287 C2' DA B 1 -11.096 -2.698 0.322 1.00 0.00 C ATOM 288 C1' DA B 1 -11.961 -2.685 -0.917 1.00 0.00 C ATOM 289 N9 DA B 1 -11.957 -1.355 -1.494 1.00 0.00 N ATOM 290 C8 DA B 1 -11.819 -0.162 -0.844 1.00 0.00 C ATOM 291 N7 DA B 1 -11.870 0.881 -1.624 1.00 0.00 N ATOM 292 C5 DA B 1 -12.002 0.326 -2.895 1.00 0.00 C ATOM 293 C6 DA B 1 -12.035 0.880 -4.195 1.00 0.00 C ATOM 294 N6 DA B 1 -12.020 2.197 -4.434 1.00 0.00 N ATOM 295 N1 DA B 1 -12.048 0.044 -5.231 1.00 0.00 N ATOM 296 C2 DA B 1 -12.055 -1.274 -5.025 1.00 0.00 C ATOM 297 N3 DA B 1 -12.060 -1.924 -3.864 1.00 0.00 N ATOM 298 C4 DA B 1 -12.028 -1.047 -2.821 1.00 0.00 C ATOM 0 H5' DA B 1 -15.091 -3.712 1.140 1.00 0.00 H new ATOM 0 H5'' DA B 1 -14.254 -4.985 2.006 1.00 0.00 H new ATOM 0 H4' DA B 1 -13.212 -5.019 0.019 1.00 0.00 H new ATOM 0 H3' DA B 1 -11.431 -3.871 2.033 1.00 0.00 H new ATOM 0 H2' DA B 1 -11.248 -1.820 0.949 1.00 0.00 H new ATOM 0 H2'' DA B 1 -10.032 -2.745 0.091 1.00 0.00 H new ATOM 0 HO5' DA B 1 -14.486 -3.066 3.274 1.00 0.00 H new ATOM 0 H1' DA B 1 -11.622 -3.383 -1.682 1.00 0.00 H new ATOM 0 H8 DA B 1 -11.680 -0.089 0.224 1.00 0.00 H new ATOM 0 H61 DA B 1 -12.045 2.541 -5.394 1.00 0.00 H new ATOM 0 H62 DA B 1 -11.983 2.856 -3.656 1.00 0.00 H new ATOM 0 H2 DA B 1 -12.057 -1.891 -5.912 1.00 0.00 H new ATOM 311 P DG B 2 -9.404 -5.436 0.949 1.00 0.00 P ATOM 312 OP1 DG B 2 -9.217 -6.848 1.352 1.00 0.00 O ATOM 313 OP2 DG B 2 -8.850 -4.343 1.777 1.00 0.00 O ATOM 314 O5' DG B 2 -8.896 -5.266 -0.557 1.00 0.00 O ATOM 315 C5' DG B 2 -9.434 -6.086 -1.573 1.00 0.00 C ATOM 316 C4' DG B 2 -8.522 -6.186 -2.793 1.00 0.00 C ATOM 317 O4' DG B 2 -9.059 -5.324 -3.773 1.00 0.00 O ATOM 318 C3' DG B 2 -7.033 -5.846 -2.550 1.00 0.00 C ATOM 319 O3' DG B 2 -6.150 -6.894 -2.928 1.00 0.00 O ATOM 320 C2' DG B 2 -6.819 -4.614 -3.413 1.00 0.00 C ATOM 321 C1' DG B 2 -8.162 -4.280 -4.024 1.00 0.00 C ATOM 322 N9 DG B 2 -8.615 -2.947 -3.633 1.00 0.00 N ATOM 323 C8 DG B 2 -8.800 -2.392 -2.385 1.00 0.00 C ATOM 324 N7 DG B 2 -8.806 -1.085 -2.394 1.00 0.00 N ATOM 325 C5 DG B 2 -8.668 -0.748 -3.739 1.00 0.00 C ATOM 326 C6 DG B 2 -8.581 0.534 -4.385 1.00 0.00 C ATOM 327 O6 DG B 2 -8.605 1.646 -3.876 1.00 0.00 O ATOM 328 N1 DG B 2 -8.441 0.408 -5.776 1.00 0.00 N ATOM 329 C2 DG B 2 -8.386 -0.779 -6.447 1.00 0.00 C ATOM 330 N2 DG B 2 -8.198 -0.745 -7.773 1.00 0.00 N ATOM 331 N3 DG B 2 -8.465 -1.958 -5.853 1.00 0.00 N ATOM 332 C4 DG B 2 -8.608 -1.882 -4.497 1.00 0.00 C ATOM 0 H5' DG B 2 -10.402 -5.690 -1.880 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.610 -7.085 -1.173 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.504 -7.232 -3.099 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.819 -5.690 -1.493 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.447 -3.782 -2.816 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.077 -4.807 -4.188 1.00 0.00 H new ATOM 0 H1' DG B 2 -8.081 -4.210 -5.109 1.00 0.00 H new ATOM 0 H8 DG B 2 -8.927 -2.979 -1.488 1.00 0.00 H new ATOM 0 H1 DG B 2 -8.376 1.265 -6.325 1.00 0.00 H new ATOM 0 H21 DG B 2 -8.152 -1.615 -8.304 1.00 0.00 H new ATOM 0 H22 DG B 2 -8.101 0.151 -8.251 1.00 0.00 H new ATOM 344 P DG B 3 -4.539 -6.689 -2.893 1.00 0.00 P ATOM 345 OP1 DG B 3 -3.881 -8.014 -2.908 1.00 0.00 O ATOM 346 OP2 DG B 3 -4.212 -5.726 -1.816 1.00 0.00 O ATOM 347 O5' DG B 3 -4.232 -5.951 -4.291 1.00 0.00 O ATOM 348 C5' DG B 3 -4.266 -6.584 -5.561 1.00 0.00 C ATOM 349 C4' DG B 3 -3.433 -5.743 -6.549 1.00 0.00 C ATOM 350 O4' DG B 3 -4.229 -4.641 -7.015 1.00 0.00 O ATOM 351 C3' DG B 3 -2.166 -5.220 -5.841 1.00 0.00 C ATOM 352 O3' DG B 3 -0.878 -5.584 -6.328 1.00 0.00 O ATOM 353 C2' DG B 3 -2.376 -3.736 -5.961 1.00 0.00 C ATOM 354 C1' DG B 3 -3.557 -3.401 -6.846 1.00 0.00 C ATOM 355 N9 DG B 3 -4.365 -2.328 -6.250 1.00 0.00 N ATOM 356 C8 DG B 3 -4.943 -2.386 -5.024 1.00 0.00 C ATOM 357 N7 DG B 3 -5.334 -1.249 -4.535 1.00 0.00 N ATOM 358 C5 DG B 3 -5.039 -0.348 -5.547 1.00 0.00 C ATOM 359 C6 DG B 3 -5.218 1.067 -5.579 1.00 0.00 C ATOM 360 O6 DG B 3 -5.610 1.792 -4.668 1.00 0.00 O ATOM 361 N1 DG B 3 -4.881 1.623 -6.812 1.00 0.00 N ATOM 362 C2 DG B 3 -4.348 0.910 -7.852 1.00 0.00 C ATOM 363 N2 DG B 3 -4.102 1.615 -8.967 1.00 0.00 N ATOM 364 N3 DG B 3 -4.096 -0.402 -7.801 1.00 0.00 N ATOM 365 C4 DG B 3 -4.472 -0.997 -6.627 1.00 0.00 C ATOM 0 H5' DG B 3 -5.294 -6.673 -5.912 1.00 0.00 H new ATOM 0 H5'' DG B 3 -3.864 -7.595 -5.491 1.00 0.00 H new ATOM 0 H4' DG B 3 -3.134 -6.357 -7.399 1.00 0.00 H new ATOM 0 H3' DG B 3 -2.102 -5.663 -4.847 1.00 0.00 H new ATOM 0 H2' DG B 3 -2.533 -3.311 -4.970 1.00 0.00 H new ATOM 0 H2'' DG B 3 -1.476 -3.274 -6.367 1.00 0.00 H new ATOM 0 H1' DG B 3 -3.286 -2.994 -7.820 1.00 0.00 H new ATOM 0 H8 DG B 3 -5.069 -3.316 -4.490 1.00 0.00 H new ATOM 0 H1 DG B 3 -5.041 2.621 -6.948 1.00 0.00 H new ATOM 0 H21 DG B 3 -3.705 1.153 -9.785 1.00 0.00 H new ATOM 0 H22 DG B 3 -4.312 2.613 -8.996 1.00 0.00 H new ATOM 377 P DC B 4 0.490 -5.041 -5.581 1.00 0.00 P ATOM 378 OP1 DC B 4 1.560 -6.020 -5.861 1.00 0.00 O ATOM 379 OP2 DC B 4 0.162 -4.706 -4.175 1.00 0.00 O ATOM 380 O5' DC B 4 0.863 -3.682 -6.330 1.00 0.00 O ATOM 381 C5' DC B 4 1.234 -3.543 -7.677 1.00 0.00 C ATOM 382 C4' DC B 4 1.697 -2.070 -7.886 1.00 0.00 C ATOM 383 O4' DC B 4 0.527 -1.271 -7.967 1.00 0.00 O ATOM 384 C3' DC B 4 2.619 -1.454 -6.827 1.00 0.00 C ATOM 385 O3' DC B 4 3.908 -1.489 -7.051 1.00 0.00 O ATOM 386 C2' DC B 4 2.009 -0.100 -6.489 1.00 0.00 C ATOM 387 C1' DC B 4 0.699 -0.040 -7.281 1.00 0.00 C ATOM 388 N1 DC B 4 -0.378 0.050 -6.263 1.00 0.00 N ATOM 389 C2 DC B 4 -1.067 1.245 -6.134 1.00 0.00 C ATOM 390 O2 DC B 4 -0.959 2.129 -6.980 1.00 0.00 O ATOM 391 N3 DC B 4 -1.860 1.382 -5.030 1.00 0.00 N ATOM 392 C4 DC B 4 -1.985 0.422 -4.117 1.00 0.00 C ATOM 393 N4 DC B 4 -2.775 0.583 -3.058 1.00 0.00 N ATOM 394 C5 DC B 4 -1.358 -0.845 -4.299 1.00 0.00 C ATOM 395 C6 DC B 4 -0.582 -0.952 -5.384 1.00 0.00 C ATOM 0 H5' DC B 4 0.395 -3.778 -8.332 1.00 0.00 H new ATOM 0 H5'' DC B 4 2.037 -4.236 -7.927 1.00 0.00 H new ATOM 0 H4' DC B 4 2.308 -2.093 -8.788 1.00 0.00 H new ATOM 0 H3' DC B 4 2.642 -2.091 -5.942 1.00 0.00 H new ATOM 0 H2' DC B 4 1.826 -0.007 -5.418 1.00 0.00 H new ATOM 0 H2'' DC B 4 2.677 0.714 -6.771 1.00 0.00 H new ATOM 0 H1' DC B 4 0.691 0.790 -7.987 1.00 0.00 H new ATOM 0 H41 DC B 4 -2.860 -0.163 -2.367 1.00 0.00 H new ATOM 0 H42 DC B 4 -3.295 1.452 -2.937 1.00 0.00 H new ATOM 0 H5 DC B 4 -1.500 -1.663 -3.608 1.00 0.00 H new ATOM 0 H6 DC B 4 -0.090 -1.896 -5.566 1.00 0.00 H new ATOM 407 P DC B 5 4.905 -1.449 -5.803 1.00 0.00 P ATOM 408 OP1 DC B 5 6.293 -1.363 -6.306 1.00 0.00 O ATOM 409 OP2 DC B 5 4.520 -2.534 -4.873 1.00 0.00 O ATOM 410 O5' DC B 5 4.496 -0.057 -5.114 1.00 0.00 O ATOM 411 C5' DC B 5 5.035 1.181 -5.511 1.00 0.00 C ATOM 412 C4' DC B 5 5.418 1.883 -4.236 1.00 0.00 C ATOM 413 O4' DC B 5 4.338 2.330 -3.467 1.00 0.00 O ATOM 414 C3' DC B 5 6.257 0.938 -3.384 1.00 0.00 C ATOM 415 O3' DC B 5 7.313 1.694 -2.952 1.00 0.00 O ATOM 416 C2' DC B 5 5.417 0.581 -2.188 1.00 0.00 C ATOM 417 C1' DC B 5 4.501 1.820 -2.161 1.00 0.00 C ATOM 418 N1 DC B 5 3.192 1.522 -1.680 1.00 0.00 N ATOM 419 C2 DC B 5 2.547 2.383 -0.787 1.00 0.00 C ATOM 420 O2 DC B 5 3.115 3.378 -0.340 1.00 0.00 O ATOM 421 N3 DC B 5 1.265 2.091 -0.418 1.00 0.00 N ATOM 422 C4 DC B 5 0.643 1.007 -0.866 1.00 0.00 C ATOM 423 N4 DC B 5 -0.616 0.777 -0.477 1.00 0.00 N ATOM 424 C5 DC B 5 1.306 0.078 -1.747 1.00 0.00 C ATOM 425 C6 DC B 5 2.570 0.386 -2.126 1.00 0.00 C ATOM 0 H5' DC B 5 4.306 1.763 -6.075 1.00 0.00 H new ATOM 0 H5'' DC B 5 5.901 1.042 -6.158 1.00 0.00 H new ATOM 0 H4' DC B 5 5.970 2.773 -4.539 1.00 0.00 H new ATOM 0 H3' DC B 5 6.580 0.041 -3.913 1.00 0.00 H new ATOM 0 H2' DC B 5 4.864 -0.349 -2.324 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.006 0.472 -1.277 1.00 0.00 H new ATOM 0 H1' DC B 5 4.983 2.536 -1.496 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.110 -0.051 -0.811 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.082 1.429 0.154 1.00 0.00 H new ATOM 0 H5 DC B 5 0.817 -0.822 -2.089 1.00 0.00 H new ATOM 0 H6 DC B 5 3.098 -0.278 -2.794 1.00 0.00 H new ATOM 437 P DG B 6 8.787 1.098 -2.692 1.00 0.00 P ATOM 438 OP1 DG B 6 9.485 0.980 -3.992 1.00 0.00 O ATOM 439 OP2 DG B 6 8.678 -0.076 -1.798 1.00 0.00 O ATOM 440 O5' DG B 6 9.438 2.318 -1.859 1.00 0.00 O ATOM 441 C5' DG B 6 9.643 3.592 -2.444 1.00 0.00 C ATOM 442 C4' DG B 6 9.615 4.689 -1.373 1.00 0.00 C ATOM 443 O4' DG B 6 8.369 4.673 -0.697 1.00 0.00 O ATOM 444 C3' DG B 6 10.722 4.547 -0.326 1.00 0.00 C ATOM 445 O3' DG B 6 11.172 5.849 0.016 1.00 0.00 O ATOM 446 C2' DG B 6 10.001 3.814 0.807 1.00 0.00 C ATOM 447 C1' DG B 6 8.562 4.315 0.661 1.00 0.00 C ATOM 448 N9 DG B 6 7.545 3.326 1.051 1.00 0.00 N ATOM 449 C8 DG B 6 7.480 1.983 0.768 1.00 0.00 C ATOM 450 N7 DG B 6 6.377 1.404 1.153 1.00 0.00 N ATOM 451 C5 DG B 6 5.643 2.428 1.735 1.00 0.00 C ATOM 452 C6 DG B 6 4.334 2.417 2.318 1.00 0.00 C ATOM 453 O6 DG B 6 3.535 1.483 2.384 1.00 0.00 O ATOM 454 N1 DG B 6 3.987 3.661 2.854 1.00 0.00 N ATOM 455 C2 DG B 6 4.803 4.762 2.836 1.00 0.00 C ATOM 456 N2 DG B 6 4.367 5.854 3.474 1.00 0.00 N ATOM 457 N3 DG B 6 5.997 4.789 2.257 1.00 0.00 N ATOM 458 C4 DG B 6 6.372 3.597 1.717 1.00 0.00 C ATOM 0 H5' DG B 6 8.871 3.784 -3.189 1.00 0.00 H new ATOM 0 H5'' DG B 6 10.600 3.609 -2.965 1.00 0.00 H new ATOM 0 H4' DG B 6 9.772 5.628 -1.903 1.00 0.00 H new ATOM 0 H3' DG B 6 11.618 4.005 -0.629 1.00 0.00 H new ATOM 0 H2' DG B 6 10.067 2.732 0.697 1.00 0.00 H new ATOM 0 H2'' DG B 6 10.420 4.062 1.782 1.00 0.00 H new ATOM 0 H1' DG B 6 8.434 5.160 1.337 1.00 0.00 H new ATOM 0 H8 DG B 6 8.276 1.451 0.268 1.00 0.00 H new ATOM 0 H1 DG B 6 3.068 3.755 3.286 1.00 0.00 H new ATOM 0 H21 DG B 6 4.939 6.699 3.489 1.00 0.00 H new ATOM 0 H22 DG B 6 3.463 5.842 3.946 1.00 0.00 H new ATOM 470 P DG B 7 12.356 6.117 1.081 1.00 0.00 P ATOM 471 OP1 DG B 7 12.913 7.466 0.831 1.00 0.00 O ATOM 472 OP2 DG B 7 13.255 4.942 1.100 1.00 0.00 O ATOM 473 O5' DG B 7 11.555 6.158 2.470 1.00 0.00 O ATOM 474 C5' DG B 7 10.684 7.226 2.782 1.00 0.00 C ATOM 475 C4' DG B 7 10.097 6.989 4.164 1.00 0.00 C ATOM 476 O4' DG B 7 9.145 5.950 4.133 1.00 0.00 O ATOM 477 C3' DG B 7 11.172 6.668 5.211 1.00 0.00 C ATOM 478 O3' DG B 7 11.031 7.663 6.209 1.00 0.00 O ATOM 479 C2' DG B 7 10.796 5.237 5.586 1.00 0.00 C ATOM 480 C1' DG B 7 9.303 5.196 5.308 1.00 0.00 C ATOM 481 N9 DG B 7 8.759 3.868 5.030 1.00 0.00 N ATOM 482 C8 DG B 7 9.305 2.860 4.285 1.00 0.00 C ATOM 483 N7 DG B 7 8.528 1.825 4.126 1.00 0.00 N ATOM 484 C5 DG B 7 7.354 2.188 4.779 1.00 0.00 C ATOM 485 C6 DG B 7 6.108 1.496 4.915 1.00 0.00 C ATOM 486 O6 DG B 7 5.818 0.364 4.532 1.00 0.00 O ATOM 487 N1 DG B 7 5.146 2.271 5.571 1.00 0.00 N ATOM 488 C2 DG B 7 5.360 3.542 6.035 1.00 0.00 C ATOM 489 N2 DG B 7 4.325 4.171 6.600 1.00 0.00 N ATOM 490 N3 DG B 7 6.517 4.180 5.931 1.00 0.00 N ATOM 491 C4 DG B 7 7.479 3.459 5.296 1.00 0.00 C ATOM 0 H5' DG B 7 9.888 7.294 2.040 1.00 0.00 H new ATOM 0 H5'' DG B 7 11.223 8.173 2.758 1.00 0.00 H new ATOM 0 H4' DG B 7 9.612 7.920 4.457 1.00 0.00 H new ATOM 0 H3' DG B 7 12.228 6.694 4.941 1.00 0.00 H new ATOM 0 H2' DG B 7 11.339 4.506 4.987 1.00 0.00 H new ATOM 0 H2'' DG B 7 11.019 5.021 6.631 1.00 0.00 H new ATOM 0 H1' DG B 7 8.780 5.558 6.193 1.00 0.00 H new ATOM 0 H8 DG B 7 10.298 2.916 3.863 1.00 0.00 H new ATOM 0 H1 DG B 7 4.223 1.862 5.714 1.00 0.00 H new ATOM 0 H21 DG B 7 4.439 5.119 6.960 1.00 0.00 H new ATOM 0 H22 DG B 7 3.421 3.703 6.672 1.00 0.00 H new ATOM 503 P DA B 8 11.775 7.654 7.635 1.00 0.00 P ATOM 504 OP1 DA B 8 12.229 9.028 7.943 1.00 0.00 O ATOM 505 OP2 DA B 8 12.727 6.523 7.706 1.00 0.00 O ATOM 506 O5' DA B 8 10.506 7.315 8.552 1.00 0.00 O ATOM 507 C5' DA B 8 9.374 8.167 8.608 1.00 0.00 C ATOM 508 C4' DA B 8 8.395 7.584 9.623 1.00 0.00 C ATOM 509 O4' DA B 8 7.832 6.398 9.085 1.00 0.00 O ATOM 510 C3' DA B 8 9.118 7.268 10.940 1.00 0.00 C ATOM 511 O3' DA B 8 8.361 7.715 12.046 1.00 0.00 O ATOM 512 C2' DA B 8 9.249 5.760 10.822 1.00 0.00 C ATOM 513 C1' DA B 8 8.003 5.362 10.022 1.00 0.00 C ATOM 514 N9 DA B 8 8.136 4.081 9.336 1.00 0.00 N ATOM 515 C8 DA B 8 9.257 3.579 8.760 1.00 0.00 C ATOM 516 N7 DA B 8 9.125 2.425 8.180 1.00 0.00 N ATOM 517 C5 DA B 8 7.797 2.112 8.424 1.00 0.00 C ATOM 518 C6 DA B 8 7.022 0.975 8.121 1.00 0.00 C ATOM 519 N6 DA B 8 7.507 -0.066 7.431 1.00 0.00 N ATOM 520 N1 DA B 8 5.775 0.932 8.580 1.00 0.00 N ATOM 521 C2 DA B 8 5.292 1.954 9.290 1.00 0.00 C ATOM 522 N3 DA B 8 5.905 3.088 9.628 1.00 0.00 N ATOM 523 C4 DA B 8 7.185 3.107 9.157 1.00 0.00 C ATOM 0 H5' DA B 8 8.905 8.243 7.627 1.00 0.00 H new ATOM 0 H5'' DA B 8 9.670 9.175 8.899 1.00 0.00 H new ATOM 0 H4' DA B 8 7.608 8.310 9.828 1.00 0.00 H new ATOM 0 H3' DA B 8 10.078 7.759 11.099 1.00 0.00 H new ATOM 0 H2' DA B 8 10.166 5.475 10.307 1.00 0.00 H new ATOM 0 H2'' DA B 8 9.270 5.280 11.800 1.00 0.00 H new ATOM 0 H1' DA B 8 7.152 5.234 10.690 1.00 0.00 H new ATOM 0 H8 DA B 8 10.199 4.106 8.783 1.00 0.00 H new ATOM 0 H61 DA B 8 6.910 -0.870 7.234 1.00 0.00 H new ATOM 0 H62 DA B 8 8.473 -0.055 7.103 1.00 0.00 H new ATOM 0 H2 DA B 8 4.274 1.848 9.635 1.00 0.00 H new ATOM 535 P DG B 9 8.789 7.420 13.578 1.00 0.00 P ATOM 536 OP1 DG B 9 8.560 8.641 14.381 1.00 0.00 O ATOM 537 OP2 DG B 9 10.111 6.754 13.609 1.00 0.00 O ATOM 538 O5' DG B 9 7.677 6.335 13.976 1.00 0.00 O ATOM 539 C5' DG B 9 6.301 6.656 13.959 1.00 0.00 C ATOM 540 C4' DG B 9 5.503 5.449 14.446 1.00 0.00 C ATOM 541 O4' DG B 9 5.642 4.397 13.521 1.00 0.00 O ATOM 542 C3' DG B 9 5.948 4.919 15.813 1.00 0.00 C ATOM 543 O3' DG B 9 4.857 4.416 16.555 1.00 0.00 O ATOM 544 C2' DG B 9 6.901 3.801 15.455 1.00 0.00 C ATOM 545 C1' DG B 9 6.212 3.309 14.209 1.00 0.00 C ATOM 546 N9 DG B 9 7.042 2.520 13.319 1.00 0.00 N ATOM 547 C8 DG B 9 8.330 2.769 13.015 1.00 0.00 C ATOM 548 N7 DG B 9 8.871 1.947 12.160 1.00 0.00 N ATOM 549 C5 DG B 9 7.842 1.040 11.908 1.00 0.00 C ATOM 550 C6 DG B 9 7.824 -0.160 11.127 1.00 0.00 C ATOM 551 O6 DG B 9 8.705 -0.613 10.402 1.00 0.00 O ATOM 552 N1 DG B 9 6.621 -0.859 11.266 1.00 0.00 N ATOM 553 C2 DG B 9 5.564 -0.433 12.022 1.00 0.00 C ATOM 554 N2 DG B 9 4.494 -1.227 12.098 1.00 0.00 N ATOM 555 N3 DG B 9 5.557 0.690 12.722 1.00 0.00 N ATOM 556 C4 DG B 9 6.724 1.380 12.639 1.00 0.00 C ATOM 0 H5' DG B 9 5.991 6.930 12.951 1.00 0.00 H new ATOM 0 H5'' DG B 9 6.108 7.518 14.598 1.00 0.00 H new ATOM 0 H4' DG B 9 4.472 5.791 14.541 1.00 0.00 H new ATOM 0 H3' DG B 9 6.395 5.693 16.436 1.00 0.00 H new ATOM 0 H2' DG B 9 7.915 4.154 15.266 1.00 0.00 H new ATOM 0 H2'' DG B 9 6.968 3.038 16.230 1.00 0.00 H new ATOM 0 HO3' DG B 9 5.175 4.084 17.421 1.00 0.00 H new ATOM 0 H1' DG B 9 5.438 2.621 14.550 1.00 0.00 H new ATOM 0 H8 DG B 9 8.877 3.593 13.449 1.00 0.00 H new ATOM 0 H1 DG B 9 6.525 -1.746 10.771 1.00 0.00 H new ATOM 0 H21 DG B 9 3.686 -0.943 12.652 1.00 0.00 H new ATOM 0 H22 DG B 9 4.484 -2.118 11.602 1.00 0.00 H new TER 569 DG B 9 HETATM 570 PT1 CPT A 10 -4.733 5.137 0.068 1.00 0.00 PT HETATM 571 N1 CPT A 10 -6.482 4.353 -0.600 1.00 0.00 N HETATM 572 N2 CPT A 10 -5.057 4.333 1.903 1.00 0.00 N CONECT 134 570 CONECT 167 570 CONECT 570 134 167 571 572 CONECT 571 570 573 574 577 CONECT 572 570 575 576 578 CONECT 573 571 CONECT 574 571 CONECT 575 572 CONECT 576 572 CONECT 577 571 CONECT 578 572 END