USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 304 hydrogens (30 hets) HEADER DNA 26-JUL-01 1JO1 TITLE N7-GUANINE ADDUCT OF 2,7-DIAMINOMITOSENE WITH DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)- COMPND 3 3'; COMPND 4 CHAIN: A, B; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED USING ABI-380B SYNTHESIZER KEYWDS DOUBLE HELIX, MAJOR GROOVE BINDING DRUG, GUANINE-N7- KEYWDS 2 ALKYLATOR, DNA EXPDTA SOLUTION NMR AUTHOR G.SUBRAMANIAM,M.M.PAZ,G.S.KUMAR,A.DAS,Y.PALOM,C.C.CLEMENT, AUTHOR 2 D.J.PATEL,M.TOMASZ REVDAT 3 24-FEB-09 1JO1 1 VERSN REVDAT 2 01-APR-03 1JO1 1 JRNL REVDAT 1 12-SEP-01 1JO1 0 JRNL AUTH G.SUBRAMANIAM,M.M.PAZ,G.SURESH KUMAR,A.DAS,Y.PALOM, JRNL AUTH 2 C.C.CLEMENT,D.J.PATEL,M.TOMASZ JRNL TITL SOLUTION STRUCTURE OF A GUANINE-N7-LINKED COMPLEX JRNL TITL 2 OF THE MITOMYCIN C METABOLITE 2,7-DIAMINOMITOSENE JRNL TITL 3 AND DNA. BASIS OF SEQUENCE SELECTIVITY. JRNL REF BIOCHEMISTRY V. 40 10473 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11523988 JRNL DOI 10.1021/BI010965A REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.01 REMARK 3 AUTHORS : A. BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 126 REMARK 3 INTRAMOLECULAR DNA CONSTRAINTS, 30 H-BONDING CONSTRAINTS, 48 REMARK 3 INTERMOLECULAR DRUG-DNA CONSTRAINTS, AND 48 DIHEDRAL REMARK 3 CONSTRAINTS REMARK 4 REMARK 4 1JO1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013991. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 303 REMARK 210 PH : 6.8; 6.8 REMARK 210 IONIC STRENGTH : 0.1 M NACL; 0.1 M NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.2 MM D(GTG(+G)TATACCAC) REMARK 210 DUPLEX IN 0.01 M SODIUM REMARK 210 PHOSPHATE, 0.1 M NACL, 0.001M REMARK 210 EDTA; 1.2 MM D(GTG(+G) REMARK 210 TATACCAC) DUPLEX IN 0.01 M REMARK 210 SODIUM PHOSPHATE, 0.1 M NACL, REMARK 210 0.001M EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, P-COSY, HOHAHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1, FELIX 3.0, X-PLOR REMARK 210 3.01 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 12 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST NUMBER OF NOE REMARK 210 VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D-NOE REMARK 210 BUILDUP STUDIES IN H2O AND D2O BUFFERS. 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 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 DT A 2 C5 DT A 2 C7 0.041 REMARK 500 DG A 4 N7 DG A 4 C8 0.068 REMARK 500 DT A 5 C5 DT A 5 C7 0.051 REMARK 500 DT A 7 C5 DT A 7 C7 0.038 REMARK 500 DT B 2 C5 DT B 2 C7 0.041 REMARK 500 DG B 4 N7 DG B 4 C8 0.068 REMARK 500 DT B 5 C5 DT B 5 C7 0.051 REMARK 500 DT B 7 C5 DT B 7 C7 0.037 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT A 2 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 7.3 DEGREES REMARK 500 DG A 4 C4' - C3' - C2' ANGL. DEV. = -4.7 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 4 N9 - C4 - C5 ANGL. DEV. = 2.8 DEGREES REMARK 500 DT A 5 C4 - C5 - C7 ANGL. DEV. = 5.5 DEGREES REMARK 500 DT A 5 C6 - C5 - C7 ANGL. DEV. = -6.8 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC A 9 O4' - C1' - C2' ANGL. DEV. = -6.8 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 6.4 DEGREES REMARK 500 DC A 9 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC A 10 N1 - C2 - O2 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG B 1 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG B 1 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT B 2 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG B 3 O4' - C1' - N9 ANGL. DEV. = 7.3 DEGREES REMARK 500 DG B 4 C4' - C3' - C2' ANGL. DEV. = -4.8 DEGREES REMARK 500 DG B 4 O4' - C1' - N9 ANGL. DEV. = 5.3 DEGREES REMARK 500 DG B 4 N9 - C4 - C5 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT B 5 C4 - C5 - C7 ANGL. DEV. = 5.6 DEGREES REMARK 500 DT B 5 C6 - C5 - C7 ANGL. DEV. = -6.8 DEGREES REMARK 500 DA B 6 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 7 N3 - C2 - O2 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC B 9 O4' - C1' - C2' ANGL. DEV. = -6.7 DEGREES REMARK 500 DC B 9 O4' - C1' - N1 ANGL. DEV. = 6.4 DEGREES REMARK 500 DC B 9 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC B 10 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC B 10 N1 - C2 - O2 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DAJ A 13 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DAJ B 13 DBREF 1JO1 A 1 12 PDB 1JO1 1JO1 1 12 DBREF 1JO1 B 1 12 PDB 1JO1 1JO1 1 12 SEQRES 1 A 12 DG DT DG DG DT DA DT DA DC DC DA DC SEQRES 1 B 12 DG DT DG DG DT DA DT DA DC DC DA DC HET DAJ A 13 33 HET DAJ B 13 33 HETNAM DAJ DECARBAMOYL-2,7-DIAMINOMITOSENE FORMUL 3 DAJ 2(C13 H16 N3 O2 1+) LINK C10 DAJ A 13 N7 DG A 4 1555 1555 1.50 LINK C10 DAJ B 13 N7 DG B 4 1555 1555 1.50 SITE *** AC1 6 DG A 3 DG A 4 DT A 5 DA A 6 SITE *** AC1 6 DA B 6 DT B 7 SITE *** AC2 6 DA A 6 DT A 7 DG B 3 DG B 4 SITE *** AC2 6 DT B 5 DA B 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 NoAdj-H: A 13 DAJH102 : A 13 DAJ C10 : A 4 DG N7 :(H bumps) USER MOD NoAdj-H: B 13 DAJH102 : B 13 DAJ C10 : B 4 DG N7 :(H bumps) USER MOD Set 1.1: A 13 DAJ N1 :NH3+ -159:sc= -0.215 (180deg=-0.822) USER MOD Set 1.2: B 7 DT C7 :methyl 150:sc= -2.31 (180deg=-2.31) USER MOD Set 2.1: A 7 DT C7 :methyl 150:sc= -2.3 (180deg=-2.3) USER MOD Set 2.2: B 13 DAJ N1 :NH3+ -165:sc= -0.0363 (180deg=-0.695) USER MOD Single : A 1 DG O5' : rot 180:sc= -0.122 USER MOD Single : A 2 DT C7 :methyl 150:sc= -2.49! (180deg=-2.49!) USER MOD Single : A 5 DT C7 :methyl 150:sc= -2.65! (180deg=-2.65!) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= -0.116 USER MOD Single : B 2 DT C7 :methyl 150:sc= -2.48! (180deg=-2.48!) USER MOD Single : B 5 DT C7 :methyl 150:sc= -2.46! (180deg=-2.46!) USER MOD Single : B 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 18.966 -12.339 -14.384 1.00 0.44 O ATOM 2 C5' DG A 1 18.421 -13.540 -14.946 1.00 0.38 C ATOM 3 C4' DG A 1 17.374 -14.166 -14.018 1.00 0.18 C ATOM 4 O4' DG A 1 17.956 -14.441 -12.716 1.00 0.16 O ATOM 5 C3' DG A 1 16.167 -13.244 -13.784 1.00 0.20 C ATOM 6 O3' DG A 1 14.929 -13.985 -13.740 1.00 0.28 O ATOM 7 C2' DG A 1 16.588 -12.609 -12.479 1.00 0.32 C ATOM 8 C1' DG A 1 17.194 -13.764 -11.700 1.00 0.13 C ATOM 9 N9 DG A 1 18.042 -13.286 -10.589 1.00 0.10 N ATOM 10 C8 DG A 1 18.935 -12.268 -10.593 1.00 0.18 C ATOM 11 N7 DG A 1 19.564 -12.035 -9.484 1.00 0.17 N ATOM 12 C5 DG A 1 19.032 -13.008 -8.638 1.00 0.07 C ATOM 13 C6 DG A 1 19.318 -13.277 -7.268 1.00 0.11 C ATOM 14 O6 DG A 1 20.098 -12.723 -6.494 1.00 0.15 O ATOM 15 N1 DG A 1 18.570 -14.328 -6.806 1.00 0.17 N ATOM 16 C2 DG A 1 17.659 -15.042 -7.544 1.00 0.20 C ATOM 17 N2 DG A 1 17.035 -16.005 -6.899 1.00 0.31 N ATOM 18 N3 DG A 1 17.372 -14.815 -8.821 1.00 0.14 N ATOM 19 C4 DG A 1 18.100 -13.778 -9.305 1.00 0.05 C ATOM 0 H5' DG A 1 19.223 -14.255 -15.127 1.00 0.38 H new ATOM 0 H5'' DG A 1 17.967 -13.318 -15.912 1.00 0.38 H new ATOM 0 H4' DG A 1 17.041 -15.079 -14.512 1.00 0.18 H new ATOM 0 H3' DG A 1 15.950 -12.515 -14.565 1.00 0.20 H new ATOM 0 H2' DG A 1 17.311 -11.809 -12.637 1.00 0.32 H new ATOM 0 H2'' DG A 1 15.739 -12.172 -11.953 1.00 0.32 H new ATOM 0 HO5' DG A 1 19.632 -11.964 -14.997 1.00 0.44 H new ATOM 0 H1' DG A 1 16.458 -14.404 -11.213 1.00 0.13 H new ATOM 0 H8 DG A 1 19.115 -11.678 -11.479 1.00 0.18 H new ATOM 0 H1 DG A 1 18.701 -14.603 -5.832 1.00 0.17 H new ATOM 0 H21 DG A 1 16.344 -16.578 -7.383 1.00 0.31 H new ATOM 0 H22 DG A 1 17.243 -16.178 -5.915 1.00 0.31 H new ATOM 32 P DT A 2 13.695 -13.642 -12.758 1.00 0.77 P ATOM 33 OP1 DT A 2 12.487 -14.331 -13.257 1.00 1.28 O ATOM 34 OP2 DT A 2 13.670 -12.180 -12.513 1.00 0.82 O ATOM 35 O5' DT A 2 14.176 -14.381 -11.413 1.00 1.11 O ATOM 36 C5' DT A 2 14.085 -15.813 -11.264 1.00 1.20 C ATOM 37 C4' DT A 2 13.483 -16.184 -9.913 1.00 1.19 C ATOM 38 O4' DT A 2 14.347 -15.720 -8.855 1.00 1.24 O ATOM 39 C3' DT A 2 12.102 -15.531 -9.724 1.00 1.12 C ATOM 40 O3' DT A 2 11.179 -16.309 -8.947 1.00 1.32 O ATOM 41 C2' DT A 2 12.524 -14.240 -9.064 1.00 0.89 C ATOM 42 C1' DT A 2 13.675 -14.657 -8.161 1.00 0.98 C ATOM 43 N1 DT A 2 14.598 -13.533 -7.854 1.00 0.87 N ATOM 44 C2 DT A 2 15.038 -13.434 -6.545 1.00 0.95 C ATOM 45 O2 DT A 2 14.723 -14.203 -5.642 1.00 1.10 O ATOM 46 N3 DT A 2 15.879 -12.391 -6.275 1.00 0.92 N ATOM 47 C4 DT A 2 16.321 -11.444 -7.158 1.00 0.81 C ATOM 48 O4 DT A 2 17.080 -10.575 -6.747 1.00 0.85 O ATOM 49 C5 DT A 2 15.830 -11.595 -8.501 1.00 0.71 C ATOM 50 C7 DT A 2 16.234 -10.572 -9.574 1.00 0.66 C ATOM 51 C6 DT A 2 15.004 -12.615 -8.808 1.00 0.75 C ATOM 0 H5' DT A 2 15.076 -16.256 -11.358 1.00 1.20 H new ATOM 0 H5'' DT A 2 13.473 -16.228 -12.065 1.00 1.20 H new ATOM 0 H4' DT A 2 13.377 -17.268 -9.880 1.00 1.19 H new ATOM 0 H3' DT A 2 11.529 -15.411 -10.643 1.00 1.12 H new ATOM 0 H2' DT A 2 12.839 -13.499 -9.799 1.00 0.89 H new ATOM 0 H2'' DT A 2 11.708 -13.796 -8.494 1.00 0.89 H new ATOM 0 H1' DT A 2 13.304 -14.981 -7.189 1.00 0.98 H new ATOM 0 H3 DT A 2 16.212 -12.310 -5.314 1.00 0.92 H new ATOM 0 H71 DT A 2 16.258 -11.058 -10.549 1.00 0.66 H new ATOM 0 H72 DT A 2 15.509 -9.758 -9.592 1.00 0.66 H new ATOM 0 H73 DT A 2 17.222 -10.173 -9.343 1.00 0.66 H new ATOM 0 H6 DT A 2 14.650 -12.719 -9.823 1.00 0.75 H new ATOM 64 P DG A 3 9.785 -15.713 -8.427 1.00 1.36 P ATOM 65 OP1 DG A 3 8.814 -16.826 -8.301 1.00 1.54 O ATOM 66 OP2 DG A 3 9.435 -14.505 -9.211 1.00 1.31 O ATOM 67 O5' DG A 3 10.251 -15.252 -6.973 1.00 1.31 O ATOM 68 C5' DG A 3 10.535 -16.216 -5.948 1.00 1.37 C ATOM 69 C4' DG A 3 10.723 -15.495 -4.632 1.00 1.31 C ATOM 70 O4' DG A 3 11.855 -14.599 -4.710 1.00 1.32 O ATOM 71 C3' DG A 3 9.478 -14.635 -4.369 1.00 1.22 C ATOM 72 O3' DG A 3 9.115 -14.588 -2.992 1.00 1.27 O ATOM 73 C2' DG A 3 9.976 -13.307 -4.867 1.00 1.12 C ATOM 74 C1' DG A 3 11.388 -13.292 -4.371 1.00 1.17 C ATOM 75 N9 DG A 3 12.162 -12.174 -4.935 1.00 1.11 N ATOM 76 C8 DG A 3 12.255 -11.663 -6.199 1.00 1.08 C ATOM 77 N7 DG A 3 13.058 -10.642 -6.338 1.00 1.04 N ATOM 78 C5 DG A 3 13.538 -10.466 -5.036 1.00 1.05 C ATOM 79 C6 DG A 3 14.454 -9.519 -4.499 1.00 1.06 C ATOM 80 O6 DG A 3 15.060 -8.607 -5.055 1.00 1.06 O ATOM 81 N1 DG A 3 14.647 -9.713 -3.145 1.00 1.12 N ATOM 82 C2 DG A 3 14.047 -10.686 -2.381 1.00 1.17 C ATOM 83 N2 DG A 3 14.360 -10.772 -1.098 1.00 1.24 N ATOM 84 N3 DG A 3 13.192 -11.565 -2.876 1.00 1.15 N ATOM 85 C4 DG A 3 12.989 -11.399 -4.196 1.00 1.10 C ATOM 0 H5' DG A 3 11.433 -16.780 -6.200 1.00 1.37 H new ATOM 0 H5'' DG A 3 9.719 -16.934 -5.870 1.00 1.37 H new ATOM 0 H4' DG A 3 10.882 -16.231 -3.844 1.00 1.31 H new ATOM 0 H3' DG A 3 8.568 -15.001 -4.845 1.00 1.22 H new ATOM 0 H2' DG A 3 9.925 -13.235 -5.953 1.00 1.12 H new ATOM 0 H2'' DG A 3 9.394 -12.477 -4.465 1.00 1.12 H new ATOM 0 H1' DG A 3 11.490 -13.106 -3.302 1.00 1.17 H new ATOM 0 H8 DG A 3 11.701 -12.076 -7.029 1.00 1.08 H new ATOM 0 H1 DG A 3 15.291 -9.079 -2.671 1.00 1.12 H new ATOM 0 H21 DG A 3 13.926 -11.487 -0.514 1.00 1.24 H new ATOM 0 H22 DG A 3 15.035 -10.123 -0.693 1.00 1.24 H new ATOM 97 P DG A 4 7.907 -13.649 -2.491 1.00 1.06 P ATOM 98 OP1 DG A 4 7.114 -14.427 -1.517 1.00 1.09 O ATOM 99 OP2 DG A 4 7.230 -13.032 -3.659 1.00 0.94 O ATOM 100 O5' DG A 4 8.702 -12.481 -1.700 1.00 1.09 O ATOM 101 C5' DG A 4 9.469 -12.800 -0.523 1.00 1.30 C ATOM 102 C4' DG A 4 10.263 -11.618 0.028 1.00 1.34 C ATOM 103 O4' DG A 4 11.166 -11.076 -0.956 1.00 1.22 O ATOM 104 C3' DG A 4 9.385 -10.443 0.468 1.00 1.35 C ATOM 105 O3' DG A 4 8.731 -10.675 1.736 1.00 1.53 O ATOM 106 C2' DG A 4 10.482 -9.398 0.553 1.00 1.33 C ATOM 107 C1' DG A 4 11.451 -9.722 -0.593 1.00 1.20 C ATOM 108 N9 DG A 4 11.444 -8.785 -1.746 1.00 1.11 N ATOM 109 C8 DG A 4 10.785 -8.780 -2.974 1.00 1.08 C ATOM 110 N7 DG A 4 11.067 -7.643 -3.691 1.00 1.08 N ATOM 111 C5 DG A 4 11.932 -6.938 -2.891 1.00 1.11 C ATOM 112 C6 DG A 4 12.551 -5.694 -3.128 1.00 1.17 C ATOM 113 O6 DG A 4 12.451 -4.971 -4.110 1.00 1.23 O ATOM 114 N1 DG A 4 13.357 -5.312 -2.077 1.00 1.21 N ATOM 115 C2 DG A 4 13.553 -6.032 -0.924 1.00 1.21 C ATOM 116 N2 DG A 4 14.365 -5.478 -0.040 1.00 1.28 N ATOM 117 N3 DG A 4 12.969 -7.214 -0.696 1.00 1.17 N ATOM 118 C4 DG A 4 12.168 -7.612 -1.721 1.00 1.12 C ATOM 0 H5' DG A 4 10.158 -13.612 -0.757 1.00 1.30 H new ATOM 0 H5'' DG A 4 8.795 -13.167 0.251 1.00 1.30 H new ATOM 0 H4' DG A 4 10.792 -12.036 0.885 1.00 1.34 H new ATOM 0 H3' DG A 4 8.541 -10.204 -0.178 1.00 1.35 H new ATOM 0 H2' DG A 4 10.074 -8.392 0.449 1.00 1.33 H new ATOM 0 H2'' DG A 4 10.988 -9.439 1.518 1.00 1.33 H new ATOM 0 H1' DG A 4 12.476 -9.593 -0.245 1.00 1.20 H new ATOM 0 H8 DG A 4 10.135 -9.570 -3.318 1.00 1.08 H new ATOM 0 H1 DG A 4 13.848 -4.422 -2.163 1.00 1.21 H new ATOM 0 H21 DG A 4 14.560 -5.953 0.841 1.00 1.28 H new ATOM 0 H22 DG A 4 14.797 -4.576 -0.239 1.00 1.28 H new ATOM 130 P DT A 5 7.799 -9.559 2.420 1.00 1.69 P ATOM 131 OP1 DT A 5 7.134 -10.119 3.613 1.00 1.89 O ATOM 132 OP2 DT A 5 6.998 -8.911 1.353 1.00 1.66 O ATOM 133 O5' DT A 5 8.913 -8.488 2.887 1.00 1.71 O ATOM 134 C5' DT A 5 9.930 -8.792 3.858 1.00 1.80 C ATOM 135 C4' DT A 5 10.666 -7.529 4.288 1.00 1.87 C ATOM 136 O4' DT A 5 11.280 -6.811 3.194 1.00 1.73 O ATOM 137 C3' DT A 5 9.684 -6.571 4.920 1.00 2.04 C ATOM 138 O3' DT A 5 10.293 -5.868 5.980 1.00 2.21 O ATOM 139 C2' DT A 5 9.353 -5.658 3.784 1.00 1.97 C ATOM 140 C1' DT A 5 10.668 -5.521 3.029 1.00 1.82 C ATOM 141 N1 DT A 5 10.437 -5.317 1.583 1.00 1.69 N ATOM 142 C2 DT A 5 11.050 -4.257 0.941 1.00 1.69 C ATOM 143 O2 DT A 5 11.794 -3.450 1.482 1.00 1.79 O ATOM 144 N3 DT A 5 10.778 -4.141 -0.398 1.00 1.61 N ATOM 145 C4 DT A 5 9.969 -4.967 -1.138 1.00 1.52 C ATOM 146 O4 DT A 5 9.841 -4.707 -2.327 1.00 1.50 O ATOM 147 C5 DT A 5 9.363 -6.054 -0.393 1.00 1.51 C ATOM 148 C7 DT A 5 8.402 -7.104 -1.000 1.00 1.45 C ATOM 149 C6 DT A 5 9.621 -6.179 0.905 1.00 1.60 C ATOM 0 H5' DT A 5 10.639 -9.505 3.437 1.00 1.80 H new ATOM 0 H5'' DT A 5 9.477 -9.268 4.728 1.00 1.80 H new ATOM 0 H4' DT A 5 11.447 -7.862 4.972 1.00 1.87 H new ATOM 0 H3' DT A 5 8.809 -7.054 5.354 1.00 2.04 H new ATOM 0 H2' DT A 5 8.570 -6.076 3.151 1.00 1.97 H new ATOM 0 H2'' DT A 5 8.994 -4.692 4.139 1.00 1.97 H new ATOM 0 H1' DT A 5 11.257 -4.679 3.393 1.00 1.82 H new ATOM 0 H3 DT A 5 11.220 -3.366 -0.892 1.00 1.61 H new ATOM 0 H71 DT A 5 8.505 -8.046 -0.462 1.00 1.45 H new ATOM 0 H72 DT A 5 7.375 -6.749 -0.916 1.00 1.45 H new ATOM 0 H73 DT A 5 8.648 -7.258 -2.051 1.00 1.45 H new ATOM 0 H6 DT A 5 9.167 -6.996 1.447 1.00 1.60 H new ATOM 162 P DA A 6 9.385 -5.039 6.999 1.00 2.48 P ATOM 163 OP1 DA A 6 9.927 -5.238 8.354 1.00 2.63 O ATOM 164 OP2 DA A 6 7.950 -5.287 6.728 1.00 2.61 O ATOM 165 O5' DA A 6 9.719 -3.547 6.528 1.00 2.40 O ATOM 166 C5' DA A 6 10.999 -2.947 6.771 1.00 2.36 C ATOM 167 C4' DA A 6 11.107 -1.599 6.073 1.00 2.40 C ATOM 168 O4' DA A 6 10.980 -1.756 4.641 1.00 2.35 O ATOM 169 C3' DA A 6 10.002 -0.634 6.518 1.00 2.55 C ATOM 170 O3' DA A 6 10.528 0.692 6.658 1.00 2.70 O ATOM 171 C2' DA A 6 9.005 -0.832 5.398 1.00 2.44 C ATOM 172 C1' DA A 6 9.884 -0.963 4.172 1.00 2.35 C ATOM 173 N9 DA A 6 9.184 -1.635 3.063 1.00 2.22 N ATOM 174 C8 DA A 6 8.214 -2.588 3.107 1.00 2.16 C ATOM 175 N7 DA A 6 7.771 -3.022 1.967 1.00 2.05 N ATOM 176 C5 DA A 6 8.530 -2.276 1.071 1.00 2.05 C ATOM 177 C6 DA A 6 8.561 -2.243 -0.320 1.00 2.01 C ATOM 178 N6 DA A 6 7.796 -3.032 -1.067 1.00 1.93 N ATOM 179 N1 DA A 6 9.414 -1.398 -0.900 1.00 2.07 N ATOM 180 C2 DA A 6 10.199 -0.626 -0.153 1.00 2.16 C ATOM 181 N3 DA A 6 10.262 -0.569 1.163 1.00 2.20 N ATOM 182 C4 DA A 6 9.388 -1.431 1.725 1.00 2.15 C ATOM 0 H5' DA A 6 11.789 -3.609 6.416 1.00 2.36 H new ATOM 0 H5'' DA A 6 11.148 -2.819 7.843 1.00 2.36 H new ATOM 0 H4' DA A 6 12.083 -1.194 6.341 1.00 2.40 H new ATOM 0 H3' DA A 6 9.553 -0.807 7.496 1.00 2.55 H new ATOM 0 H2' DA A 6 8.396 -1.722 5.554 1.00 2.44 H new ATOM 0 H2'' DA A 6 8.320 0.012 5.314 1.00 2.44 H new ATOM 0 H1' DA A 6 10.188 0.003 3.769 1.00 2.35 H new ATOM 0 H8 DA A 6 7.832 -2.965 4.044 1.00 2.16 H new ATOM 0 H61 DA A 6 7.848 -2.978 -2.084 1.00 1.93 H new ATOM 0 H62 DA A 6 7.157 -3.692 -0.623 1.00 1.93 H new ATOM 0 H2 DA A 6 10.865 0.034 -0.689 1.00 2.16 H new ATOM 194 P DT A 7 9.749 2.020 6.197 1.00 2.98 P ATOM 195 OP1 DT A 7 10.362 3.187 6.869 1.00 3.11 O ATOM 196 OP2 DT A 7 8.285 1.801 6.281 1.00 3.12 O ATOM 197 O5' DT A 7 10.143 2.057 4.629 1.00 3.08 O ATOM 198 C5' DT A 7 11.432 2.524 4.174 1.00 3.03 C ATOM 199 C4' DT A 7 11.310 3.543 3.034 1.00 3.14 C ATOM 200 O4' DT A 7 10.701 2.948 1.873 1.00 3.01 O ATOM 201 C3' DT A 7 10.434 4.741 3.433 1.00 3.39 C ATOM 202 O3' DT A 7 10.715 5.920 2.671 1.00 3.55 O ATOM 203 C2' DT A 7 9.089 4.182 3.055 1.00 3.35 C ATOM 204 C1' DT A 7 9.378 3.477 1.730 1.00 3.11 C ATOM 205 N1 DT A 7 8.500 2.336 1.382 1.00 2.93 N ATOM 206 C2 DT A 7 8.444 1.987 0.039 1.00 2.79 C ATOM 207 O2 DT A 7 9.045 2.557 -0.863 1.00 2.82 O ATOM 208 N3 DT A 7 7.635 0.932 -0.275 1.00 2.63 N ATOM 209 C4 DT A 7 6.891 0.211 0.599 1.00 2.61 C ATOM 210 O4 DT A 7 6.216 -0.700 0.140 1.00 2.47 O ATOM 211 C5 DT A 7 6.985 0.615 1.980 1.00 2.77 C ATOM 212 C7 DT A 7 6.177 -0.111 3.063 1.00 2.80 C ATOM 213 C6 DT A 7 7.773 1.643 2.327 1.00 2.92 C ATOM 0 H5' DT A 7 12.026 1.674 3.838 1.00 3.03 H new ATOM 0 H5'' DT A 7 11.968 2.977 5.008 1.00 3.03 H new ATOM 0 H4' DT A 7 12.325 3.874 2.816 1.00 3.14 H new ATOM 0 H3' DT A 7 10.560 5.065 4.466 1.00 3.39 H new ATOM 0 H2' DT A 7 8.712 3.490 3.808 1.00 3.35 H new ATOM 0 H2'' DT A 7 8.342 4.967 2.941 1.00 3.35 H new ATOM 0 H1' DT A 7 9.224 4.211 0.939 1.00 3.11 H new ATOM 0 H3 DT A 7 7.586 0.662 -1.257 1.00 2.63 H new ATOM 0 H71 DT A 7 6.719 -0.073 4.008 1.00 2.80 H new ATOM 0 H72 DT A 7 5.208 0.374 3.180 1.00 2.80 H new ATOM 0 H73 DT A 7 6.029 -1.151 2.771 1.00 2.80 H new ATOM 0 H6 DT A 7 7.839 1.933 3.365 1.00 2.92 H new ATOM 226 P DA A 8 10.216 7.362 3.153 1.00 3.81 P ATOM 227 OP1 DA A 8 11.330 8.045 3.844 1.00 4.03 O ATOM 228 OP2 DA A 8 8.901 7.224 3.821 1.00 3.82 O ATOM 229 O5' DA A 8 9.984 8.084 1.753 1.00 3.76 O ATOM 230 C5' DA A 8 10.992 8.409 0.782 1.00 3.83 C ATOM 231 C4' DA A 8 10.310 8.823 -0.528 1.00 4.04 C ATOM 232 O4' DA A 8 9.585 7.704 -1.090 1.00 3.82 O ATOM 233 C3' DA A 8 9.283 9.927 -0.234 1.00 4.42 C ATOM 234 O3' DA A 8 8.989 10.829 -1.295 1.00 4.76 O ATOM 235 C2' DA A 8 8.087 9.068 0.061 1.00 4.31 C ATOM 236 C1' DA A 8 8.175 7.935 -0.951 1.00 4.02 C ATOM 237 N9 DA A 8 7.530 6.729 -0.400 1.00 3.75 N ATOM 238 C8 DA A 8 7.528 6.302 0.895 1.00 3.67 C ATOM 239 N7 DA A 8 6.894 5.205 1.140 1.00 3.45 N ATOM 240 C5 DA A 8 6.422 4.861 -0.119 1.00 3.37 C ATOM 241 C6 DA A 8 5.665 3.786 -0.548 1.00 3.16 C ATOM 242 N6 DA A 8 5.255 2.845 0.289 1.00 3.00 N ATOM 243 N1 DA A 8 5.349 3.703 -1.847 1.00 3.16 N ATOM 244 C2 DA A 8 5.772 4.656 -2.678 1.00 3.36 C ATOM 245 N3 DA A 8 6.500 5.731 -2.392 1.00 3.58 N ATOM 246 C4 DA A 8 6.797 5.774 -1.070 1.00 3.56 C ATOM 0 H5' DA A 8 11.642 7.551 0.613 1.00 3.83 H new ATOM 0 H5'' DA A 8 11.622 9.218 1.150 1.00 3.83 H new ATOM 0 H4' DA A 8 11.077 9.166 -1.223 1.00 4.04 H new ATOM 0 H3' DA A 8 9.632 10.612 0.538 1.00 4.42 H new ATOM 0 H2' DA A 8 8.112 8.690 1.083 1.00 4.31 H new ATOM 0 H2'' DA A 8 7.159 9.628 -0.050 1.00 4.31 H new ATOM 0 H1' DA A 8 7.686 8.170 -1.896 1.00 4.02 H new ATOM 0 H8 DA A 8 8.031 6.853 1.675 1.00 3.67 H new ATOM 0 H61 DA A 8 4.698 2.063 -0.056 1.00 3.00 H new ATOM 0 H62 DA A 8 5.497 2.902 1.278 1.00 3.00 H new ATOM 0 H2 DA A 8 5.488 4.540 -3.713 1.00 3.36 H new ATOM 258 P DC A 9 7.880 11.981 -1.044 1.00 5.18 P ATOM 259 OP1 DC A 9 8.504 13.035 -0.214 1.00 5.65 O ATOM 260 OP2 DC A 9 6.608 11.372 -0.595 1.00 5.38 O ATOM 261 O5' DC A 9 7.682 12.573 -2.526 1.00 4.87 O ATOM 262 C5' DC A 9 7.542 11.771 -3.712 1.00 4.78 C ATOM 263 C4' DC A 9 6.264 10.921 -3.781 1.00 4.65 C ATOM 264 O4' DC A 9 6.212 9.802 -2.860 1.00 4.37 O ATOM 265 C3' DC A 9 5.000 11.763 -3.530 1.00 4.92 C ATOM 266 O3' DC A 9 4.190 11.814 -4.712 1.00 5.04 O ATOM 267 C2' DC A 9 4.356 10.973 -2.401 1.00 4.73 C ATOM 268 C1' DC A 9 4.814 9.556 -2.646 1.00 4.37 C ATOM 269 N1 DC A 9 4.511 8.608 -1.540 1.00 4.17 N ATOM 270 C2 DC A 9 4.014 7.355 -1.866 1.00 3.91 C ATOM 271 O2 DC A 9 3.792 7.010 -3.023 1.00 3.85 O ATOM 272 N3 DC A 9 3.752 6.484 -0.863 1.00 3.74 N ATOM 273 C4 DC A 9 3.959 6.809 0.410 1.00 3.83 C ATOM 274 N4 DC A 9 3.668 5.902 1.333 1.00 3.68 N ATOM 275 C5 DC A 9 4.467 8.093 0.772 1.00 4.10 C ATOM 276 C6 DC A 9 4.725 8.950 -0.237 1.00 4.26 C ATOM 0 H5' DC A 9 8.404 11.108 -3.787 1.00 4.78 H new ATOM 0 H5'' DC A 9 7.569 12.428 -4.581 1.00 4.78 H new ATOM 0 H4' DC A 9 6.294 10.525 -4.796 1.00 4.65 H new ATOM 0 H3' DC A 9 5.170 12.810 -3.281 1.00 4.92 H new ATOM 0 H2' DC A 9 4.679 11.335 -1.425 1.00 4.73 H new ATOM 0 H2'' DC A 9 3.269 11.052 -2.427 1.00 4.73 H new ATOM 0 H1' DC A 9 4.309 9.044 -3.465 1.00 4.37 H new ATOM 0 H41 DC A 9 3.813 6.114 2.320 1.00 3.68 H new ATOM 0 H42 DC A 9 3.299 4.992 1.056 1.00 3.68 H new ATOM 0 H5 DC A 9 4.636 8.365 1.803 1.00 4.10 H new ATOM 0 H6 DC A 9 5.111 9.932 -0.007 1.00 4.26 H new ATOM 288 P DC A 10 2.600 12.048 -4.721 1.00 5.18 P ATOM 289 OP1 DC A 10 2.230 12.739 -5.974 1.00 5.42 O ATOM 290 OP2 DC A 10 2.178 12.601 -3.412 1.00 5.35 O ATOM 291 O5' DC A 10 2.115 10.517 -4.809 1.00 4.79 O ATOM 292 C5' DC A 10 2.423 9.700 -5.956 1.00 4.60 C ATOM 293 C4' DC A 10 1.278 8.741 -6.290 1.00 4.37 C ATOM 294 O4' DC A 10 1.088 7.758 -5.248 1.00 4.20 O ATOM 295 C3' DC A 10 -0.035 9.523 -6.452 1.00 4.49 C ATOM 296 O3' DC A 10 -0.909 9.000 -7.460 1.00 4.36 O ATOM 297 C2' DC A 10 -0.580 9.392 -5.053 1.00 4.47 C ATOM 298 C1' DC A 10 -0.198 7.978 -4.646 1.00 4.24 C ATOM 299 N1 DC A 10 -0.095 7.910 -3.173 1.00 4.22 N ATOM 300 C2 DC A 10 -1.069 7.198 -2.481 1.00 4.08 C ATOM 301 O2 DC A 10 -1.981 6.600 -3.051 1.00 3.97 O ATOM 302 N3 DC A 10 -0.991 7.153 -1.127 1.00 4.08 N ATOM 303 C4 DC A 10 0.001 7.777 -0.480 1.00 4.21 C ATOM 304 N4 DC A 10 0.035 7.705 0.840 1.00 4.22 N ATOM 305 C5 DC A 10 1.010 8.509 -1.169 1.00 4.35 C ATOM 306 C6 DC A 10 0.926 8.551 -2.510 1.00 4.35 C ATOM 0 H5' DC A 10 3.331 9.129 -5.763 1.00 4.60 H new ATOM 0 H5'' DC A 10 2.625 10.340 -6.815 1.00 4.60 H new ATOM 0 H4' DC A 10 1.543 8.234 -7.218 1.00 4.37 H new ATOM 0 H3' DC A 10 0.090 10.547 -6.804 1.00 4.49 H new ATOM 0 H2' DC A 10 -0.144 10.133 -4.383 1.00 4.47 H new ATOM 0 H2'' DC A 10 -1.660 9.537 -5.029 1.00 4.47 H new ATOM 0 H1' DC A 10 -0.927 7.231 -4.962 1.00 4.24 H new ATOM 0 H41 DC A 10 0.780 8.171 1.357 1.00 4.22 H new ATOM 0 H42 DC A 10 -0.684 7.183 1.341 1.00 4.22 H new ATOM 0 H5 DC A 10 1.807 9.008 -0.638 1.00 4.35 H new ATOM 0 H6 DC A 10 1.669 9.095 -3.074 1.00 4.35 H new ATOM 318 P DA A 11 -2.371 9.643 -7.746 1.00 4.52 P ATOM 319 OP1 DA A 11 -2.608 9.633 -9.204 1.00 4.53 O ATOM 320 OP2 DA A 11 -2.501 10.906 -6.978 1.00 4.88 O ATOM 321 O5' DA A 11 -3.339 8.556 -7.064 1.00 4.26 O ATOM 322 C5' DA A 11 -3.519 7.228 -7.585 1.00 3.94 C ATOM 323 C4' DA A 11 -4.728 6.529 -6.953 1.00 3.78 C ATOM 324 O4' DA A 11 -4.565 6.366 -5.528 1.00 3.72 O ATOM 325 C3' DA A 11 -6.037 7.304 -7.142 1.00 4.02 C ATOM 326 O3' DA A 11 -7.136 6.378 -7.209 1.00 3.93 O ATOM 327 C2' DA A 11 -6.012 8.136 -5.879 1.00 4.13 C ATOM 328 C1' DA A 11 -5.579 7.120 -4.844 1.00 3.91 C ATOM 329 N9 DA A 11 -5.018 7.717 -3.624 1.00 3.98 N ATOM 330 C8 DA A 11 -4.244 8.822 -3.469 1.00 4.12 C ATOM 331 N7 DA A 11 -3.869 9.100 -2.257 1.00 4.18 N ATOM 332 C5 DA A 11 -4.460 8.067 -1.532 1.00 4.06 C ATOM 333 C6 DA A 11 -4.468 7.750 -0.171 1.00 4.07 C ATOM 334 N6 DA A 11 -3.825 8.462 0.752 1.00 4.19 N ATOM 335 N1 DA A 11 -5.158 6.659 0.190 1.00 3.97 N ATOM 336 C2 DA A 11 -5.797 5.926 -0.714 1.00 3.86 C ATOM 337 N3 DA A 11 -5.856 6.128 -2.016 1.00 3.84 N ATOM 338 C4 DA A 11 -5.159 7.228 -2.360 1.00 3.94 C ATOM 0 H5' DA A 11 -2.621 6.640 -7.399 1.00 3.94 H new ATOM 0 H5'' DA A 11 -3.651 7.276 -8.666 1.00 3.94 H new ATOM 0 H4' DA A 11 -4.782 5.568 -7.464 1.00 3.78 H new ATOM 0 H3' DA A 11 -6.143 7.900 -8.049 1.00 4.02 H new ATOM 0 H2' DA A 11 -5.312 8.968 -5.952 1.00 4.13 H new ATOM 0 H2'' DA A 11 -6.989 8.561 -5.650 1.00 4.13 H new ATOM 0 H1' DA A 11 -6.429 6.534 -4.494 1.00 3.91 H new ATOM 0 H8 DA A 11 -3.956 9.437 -4.309 1.00 4.12 H new ATOM 0 H61 DA A 11 -3.867 8.183 1.732 1.00 4.19 H new ATOM 0 H62 DA A 11 -3.291 9.287 0.479 1.00 4.19 H new ATOM 0 H2 DA A 11 -6.330 5.065 -0.340 1.00 3.86 H new ATOM 350 P DC A 12 -8.646 6.705 -6.735 1.00 4.17 P ATOM 351 OP1 DC A 12 -9.558 5.761 -7.415 1.00 4.30 O ATOM 352 OP2 DC A 12 -8.873 8.162 -6.865 1.00 4.39 O ATOM 353 O5' DC A 12 -8.638 6.323 -5.169 1.00 4.03 O ATOM 354 C5' DC A 12 -8.706 4.941 -4.765 1.00 3.94 C ATOM 355 C4' DC A 12 -9.382 4.749 -3.408 1.00 4.01 C ATOM 356 O4' DC A 12 -8.635 5.438 -2.387 1.00 3.88 O ATOM 357 C3' DC A 12 -10.813 5.310 -3.328 1.00 4.32 C ATOM 358 O3' DC A 12 -11.516 4.667 -2.255 1.00 4.33 O ATOM 359 C2' DC A 12 -10.490 6.727 -2.924 1.00 4.37 C ATOM 360 C1' DC A 12 -9.459 6.481 -1.841 1.00 4.10 C ATOM 361 N1 DC A 12 -8.654 7.646 -1.414 1.00 4.13 N ATOM 362 C2 DC A 12 -8.527 7.838 -0.049 1.00 4.07 C ATOM 363 O2 DC A 12 -9.062 7.098 0.775 1.00 3.98 O ATOM 364 N3 DC A 12 -7.788 8.877 0.392 1.00 4.16 N ATOM 365 C4 DC A 12 -7.191 9.706 -0.459 1.00 4.30 C ATOM 366 N4 DC A 12 -6.480 10.690 0.067 1.00 4.44 N ATOM 367 C5 DC A 12 -7.306 9.537 -1.875 1.00 4.36 C ATOM 368 C6 DC A 12 -8.047 8.493 -2.306 1.00 4.28 C ATOM 0 H5' DC A 12 -7.697 4.530 -4.724 1.00 3.94 H new ATOM 0 H5'' DC A 12 -9.251 4.374 -5.520 1.00 3.94 H new ATOM 0 H4' DC A 12 -9.417 3.669 -3.266 1.00 4.01 H new ATOM 0 H3' DC A 12 -11.421 5.192 -4.225 1.00 4.32 H new ATOM 0 H2' DC A 12 -10.089 7.312 -3.752 1.00 4.37 H new ATOM 0 H2'' DC A 12 -11.364 7.260 -2.550 1.00 4.37 H new ATOM 0 HO3' DC A 12 -12.427 5.024 -2.201 1.00 4.33 H new ATOM 0 H1' DC A 12 -9.964 6.222 -0.910 1.00 4.10 H new ATOM 0 H41 DC A 12 -6.001 11.355 -0.541 1.00 4.44 H new ATOM 0 H42 DC A 12 -6.411 10.784 1.080 1.00 4.44 H new ATOM 0 H5 DC A 12 -6.823 10.212 -2.566 1.00 4.36 H new ATOM 0 H6 DC A 12 -8.163 8.323 -3.366 1.00 4.28 H new TER 381 DC A 12 HETATM 382 C1 DAJ A 13 7.979 -4.827 -4.235 1.00 1.60 C HETATM 383 C2 DAJ A 13 6.478 -4.702 -3.885 1.00 1.75 C HETATM 384 N1 DAJ A 13 5.848 -3.377 -4.221 1.00 1.94 N HETATM 385 C3 DAJ A 13 5.721 -5.811 -4.629 1.00 1.68 C HETATM 386 N2 DAJ A 13 6.798 -6.773 -4.837 1.00 1.45 N HETATM 387 C4 DAJ A 13 8.049 -6.309 -4.711 1.00 1.39 C HETATM 388 C12 DAJ A 13 6.903 -8.074 -5.249 1.00 1.30 C HETATM 389 C11 DAJ A 13 8.236 -8.399 -5.339 1.00 1.16 C HETATM 390 O1 DAJ A 13 4.689 -8.702 -5.419 1.00 1.46 O HETATM 391 C5 DAJ A 13 5.871 -9.017 -5.549 1.00 1.32 C HETATM 392 C6 DAJ A 13 6.250 -10.343 -5.954 1.00 1.24 C HETATM 393 C13 DAJ A 13 5.173 -11.405 -6.254 1.00 1.33 C HETATM 394 C7 DAJ A 13 7.636 -10.673 -6.076 1.00 1.14 C HETATM 395 N3 DAJ A 13 7.971 -11.889 -6.497 1.00 1.18 N HETATM 396 O2 DAJ A 13 9.852 -9.945 -5.913 1.00 1.01 O HETATM 397 C8 DAJ A 13 8.655 -9.691 -5.798 1.00 1.07 C HETATM 398 C9 DAJ A 13 8.985 -7.274 -5.026 1.00 1.20 C HETATM 399 C10 DAJ A 13 10.537 -7.200 -5.026 1.00 1.12 C HETATM 0 H133 DAJ A 13 4.566 -11.570 -5.364 1.00 1.33 H new HETATM 0 H132 DAJ A 13 4.536 -11.058 -7.068 1.00 1.33 H new HETATM 0 H131 DAJ A 13 5.654 -12.339 -6.543 1.00 1.33 H new HETATM 0 H103 DAJ A 13 10.864 -6.428 -5.722 1.00 1.12 H new HETATM 0 H101 DAJ A 13 10.947 -8.162 -5.332 1.00 1.12 H new HETATM 0 HN5 DAJ A 13 8.954 -12.143 -6.591 1.00 1.18 H new HETATM 0 HN4 DAJ A 13 7.245 -12.567 -6.726 1.00 1.18 H new HETATM 0 HN3 DAJ A 13 5.002 -3.251 -3.665 1.00 1.94 H new HETATM 0 HN2 DAJ A 13 6.505 -2.625 -4.014 1.00 1.94 H new HETATM 0 HN1 DAJ A 13 5.609 -3.355 -5.212 1.00 1.94 H new HETATM 0 H32 DAJ A 13 4.904 -6.224 -4.037 1.00 1.68 H new HETATM 0 H31 DAJ A 13 5.290 -5.462 -5.567 1.00 1.68 H new HETATM 0 H2 DAJ A 13 6.410 -4.791 -2.801 1.00 1.75 H new HETATM 0 H12 DAJ A 13 8.280 -4.128 -5.015 1.00 1.60 H new HETATM 0 H11 DAJ A 13 8.621 -4.639 -3.374 1.00 1.60 H new ATOM 415 O5' DG B 1 -5.711 8.645 10.814 1.00 4.98 O ATOM 416 C5' DG B 1 -6.810 7.915 11.373 1.00 4.91 C ATOM 417 C4' DG B 1 -7.260 6.782 10.443 1.00 4.54 C ATOM 418 O4' DG B 1 -7.623 7.314 9.142 1.00 4.45 O ATOM 419 C3' DG B 1 -6.157 5.737 10.211 1.00 4.30 C ATOM 420 O3' DG B 1 -6.691 4.397 10.163 1.00 4.07 O ATOM 421 C2' DG B 1 -5.595 6.256 8.907 1.00 4.10 C ATOM 422 C1' DG B 1 -6.832 6.671 8.126 1.00 4.13 C ATOM 423 N9 DG B 1 -6.494 7.585 7.016 1.00 4.15 N ATOM 424 C8 DG B 1 -5.631 8.629 7.023 1.00 4.31 C ATOM 425 N7 DG B 1 -5.500 9.289 5.915 1.00 4.35 N ATOM 426 C5 DG B 1 -6.375 8.609 5.066 1.00 4.19 C ATOM 427 C6 DG B 1 -6.685 8.850 3.697 1.00 4.18 C ATOM 428 O6 DG B 1 -6.261 9.708 2.924 1.00 4.31 O ATOM 429 N1 DG B 1 -7.603 7.944 3.233 1.00 4.04 N ATOM 430 C2 DG B 1 -8.163 6.931 3.969 1.00 3.94 C ATOM 431 N2 DG B 1 -9.013 6.161 3.322 1.00 3.85 N ATOM 432 N3 DG B 1 -7.895 6.682 5.246 1.00 3.95 N ATOM 433 C4 DG B 1 -6.988 7.565 5.732 1.00 4.08 C ATOM 0 H5' DG B 1 -7.644 8.593 11.554 1.00 4.91 H new ATOM 0 H5'' DG B 1 -6.520 7.501 12.339 1.00 4.91 H new ATOM 0 H4' DG B 1 -8.109 6.307 10.935 1.00 4.54 H new ATOM 0 H3' DG B 1 -5.405 5.637 10.994 1.00 4.30 H new ATOM 0 H2' DG B 1 -4.921 7.097 9.067 1.00 4.10 H new ATOM 0 H2'' DG B 1 -5.027 5.488 8.381 1.00 4.10 H new ATOM 0 HO5' DG B 1 -5.448 9.361 11.429 1.00 4.98 H new ATOM 0 H1' DG B 1 -7.346 5.843 7.637 1.00 4.13 H new ATOM 0 H8 DG B 1 -5.078 8.899 7.910 1.00 4.31 H new ATOM 0 H1 DG B 1 -7.894 8.030 2.259 1.00 4.04 H new ATOM 0 H21 DG B 1 -9.469 5.387 3.805 1.00 3.85 H new ATOM 0 H22 DG B 1 -9.215 6.339 2.338 1.00 3.85 H new ATOM 446 P DT B 2 -6.154 3.235 9.182 1.00 3.89 P ATOM 447 OP1 DT B 2 -6.642 1.932 9.679 1.00 3.90 O ATOM 448 OP2 DT B 2 -4.707 3.444 8.938 1.00 3.79 O ATOM 449 O5' DT B 2 -6.960 3.594 7.837 1.00 4.04 O ATOM 450 C5' DT B 2 -8.358 3.276 7.686 1.00 4.16 C ATOM 451 C4' DT B 2 -8.627 2.623 6.333 1.00 4.08 C ATOM 452 O4' DT B 2 -8.306 3.552 5.276 1.00 4.19 O ATOM 453 C3' DT B 2 -7.762 1.364 6.144 1.00 3.80 C ATOM 454 O3' DT B 2 -8.382 0.330 5.365 1.00 3.79 O ATOM 455 C2' DT B 2 -6.553 1.987 5.486 1.00 3.67 C ATOM 456 C1' DT B 2 -7.148 3.058 4.583 1.00 3.91 C ATOM 457 N1 DT B 2 -6.186 4.149 4.278 1.00 3.92 N ATOM 458 C2 DT B 2 -6.157 4.600 2.970 1.00 3.90 C ATOM 459 O2 DT B 2 -6.865 4.168 2.065 1.00 3.87 O ATOM 460 N3 DT B 2 -5.260 5.596 2.701 1.00 3.96 N ATOM 461 C4 DT B 2 -4.397 6.184 3.586 1.00 4.03 C ATOM 462 O4 DT B 2 -3.659 7.072 3.177 1.00 4.11 O ATOM 463 C5 DT B 2 -4.469 5.674 4.929 1.00 4.04 C ATOM 464 C7 DT B 2 -3.524 6.235 6.003 1.00 4.13 C ATOM 465 C6 DT B 2 -5.345 4.695 5.234 1.00 3.98 C ATOM 0 H5' DT B 2 -8.953 4.184 7.780 1.00 4.16 H new ATOM 0 H5'' DT B 2 -8.671 2.605 8.486 1.00 4.16 H new ATOM 0 H4' DT B 2 -9.680 2.345 6.299 1.00 4.08 H new ATOM 0 H3' DT B 2 -7.554 0.816 7.063 1.00 3.80 H new ATOM 0 H2' DT B 2 -5.873 2.416 6.222 1.00 3.67 H new ATOM 0 H2'' DT B 2 -5.984 1.253 4.916 1.00 3.67 H new ATOM 0 H1' DT B 2 -7.408 2.640 3.610 1.00 3.91 H new ATOM 0 H3 DT B 2 -5.231 5.937 1.740 1.00 3.96 H new ATOM 0 H71 DT B 2 -4.008 6.181 6.978 1.00 4.13 H new ATOM 0 H72 DT B 2 -2.605 5.649 6.021 1.00 4.13 H new ATOM 0 H73 DT B 2 -3.287 7.274 5.773 1.00 4.13 H new ATOM 0 H6 DT B 2 -5.392 4.328 6.248 1.00 3.98 H new ATOM 478 P DG B 3 -7.570 -0.951 4.844 1.00 3.55 P ATOM 479 OP1 DG B 3 -8.514 -2.087 4.717 1.00 3.57 O ATOM 480 OP2 DG B 3 -6.322 -1.105 5.630 1.00 3.49 O ATOM 481 O5' DG B 3 -7.188 -0.416 3.392 1.00 3.45 O ATOM 482 C5' DG B 3 -8.184 -0.288 2.366 1.00 3.49 C ATOM 483 C4' DG B 3 -7.501 0.013 1.051 1.00 3.34 C ATOM 484 O4' DG B 3 -6.796 1.274 1.131 1.00 3.45 O ATOM 485 C3' DG B 3 -6.453 -1.078 0.788 1.00 3.10 C ATOM 486 O3' DG B 3 -6.346 -1.428 -0.589 1.00 3.04 O ATOM 487 C2' DG B 3 -5.222 -0.374 1.288 1.00 3.08 C ATOM 488 C1' DG B 3 -5.431 1.022 0.793 1.00 3.25 C ATOM 489 N9 DG B 3 -4.452 1.964 1.359 1.00 3.37 N ATOM 490 C8 DG B 3 -3.964 2.136 2.624 1.00 3.46 C ATOM 491 N7 DG B 3 -3.084 3.092 2.764 1.00 3.58 N ATOM 492 C5 DG B 3 -2.985 3.594 1.463 1.00 3.57 C ATOM 493 C6 DG B 3 -2.195 4.650 0.928 1.00 3.71 C ATOM 494 O6 DG B 3 -1.393 5.393 1.486 1.00 3.87 O ATOM 495 N1 DG B 3 -2.417 4.811 -0.426 1.00 3.69 N ATOM 496 C2 DG B 3 -3.281 4.065 -1.191 1.00 3.55 C ATOM 497 N2 DG B 3 -3.414 4.361 -2.474 1.00 3.58 N ATOM 498 N3 DG B 3 -4.012 3.079 -0.698 1.00 3.41 N ATOM 499 C4 DG B 3 -3.817 2.904 0.622 1.00 3.44 C ATOM 0 H5' DG B 3 -8.884 0.509 2.618 1.00 3.49 H new ATOM 0 H5'' DG B 3 -8.764 -1.208 2.287 1.00 3.49 H new ATOM 0 H4' DG B 3 -8.252 0.053 0.262 1.00 3.34 H new ATOM 0 H3' DG B 3 -6.670 -2.035 1.263 1.00 3.10 H new ATOM 0 H2' DG B 3 -5.144 -0.413 2.375 1.00 3.08 H new ATOM 0 H2'' DG B 3 -4.310 -0.816 0.887 1.00 3.08 H new ATOM 0 H1' DG B 3 -5.262 1.153 -0.276 1.00 3.25 H new ATOM 0 H8 DG B 3 -4.284 1.522 3.453 1.00 3.46 H new ATOM 0 H1 DG B 3 -1.894 5.548 -0.899 1.00 3.69 H new ATOM 0 H21 DG B 3 -4.050 3.819 -3.059 1.00 3.58 H new ATOM 0 H22 DG B 3 -2.880 5.131 -2.878 1.00 3.58 H new ATOM 511 P DG B 4 -5.226 -2.469 -1.090 1.00 2.62 P ATOM 512 OP1 DG B 4 -5.867 -3.376 -2.066 1.00 2.61 O ATOM 513 OP2 DG B 4 -4.510 -3.041 0.077 1.00 2.42 O ATOM 514 O5' DG B 4 -4.200 -1.498 -1.880 1.00 2.61 O ATOM 515 C5' DG B 4 -4.635 -0.790 -3.055 1.00 2.83 C ATOM 516 C4' DG B 4 -3.595 0.183 -3.605 1.00 2.86 C ATOM 517 O4' DG B 4 -3.204 1.160 -2.620 1.00 2.97 O ATOM 518 C3' DG B 4 -2.294 -0.496 -4.044 1.00 2.61 C ATOM 519 O3' DG B 4 -2.417 -1.178 -5.313 1.00 2.55 O ATOM 520 C2' DG B 4 -1.438 0.754 -4.127 1.00 2.76 C ATOM 521 C1' DG B 4 -1.912 1.657 -2.980 1.00 2.96 C ATOM 522 N9 DG B 4 -0.988 1.799 -1.827 1.00 2.96 N ATOM 523 C8 DG B 4 -0.880 1.148 -0.600 1.00 2.88 C ATOM 524 N7 DG B 4 0.195 1.605 0.121 1.00 2.95 N ATOM 525 C5 DG B 4 0.757 2.574 -0.677 1.00 3.08 C ATOM 526 C6 DG B 4 1.885 3.383 -0.439 1.00 3.23 C ATOM 527 O6 DG B 4 2.614 3.399 0.544 1.00 3.26 O ATOM 528 N1 DG B 4 2.135 4.240 -1.489 1.00 3.37 N ATOM 529 C2 DG B 4 1.394 4.321 -2.643 1.00 3.38 C ATOM 530 N2 DG B 4 1.812 5.211 -3.526 1.00 3.54 N ATOM 531 N3 DG B 4 0.321 3.555 -2.873 1.00 3.24 N ATOM 532 C4 DG B 4 0.055 2.700 -1.849 1.00 3.09 C ATOM 0 H5' DG B 4 -5.546 -0.240 -2.820 1.00 2.83 H new ATOM 0 H5'' DG B 4 -4.890 -1.513 -3.830 1.00 2.83 H new ATOM 0 H4' DG B 4 -4.092 0.639 -4.461 1.00 2.86 H new ATOM 0 H3' DG B 4 -1.924 -1.292 -3.398 1.00 2.61 H new ATOM 0 H2' DG B 4 -0.380 0.512 -4.024 1.00 2.76 H new ATOM 0 H2'' DG B 4 -1.559 1.249 -5.091 1.00 2.76 H new ATOM 0 H1' DG B 4 -1.946 2.690 -3.326 1.00 2.96 H new ATOM 0 H8 DG B 4 -1.558 0.379 -0.259 1.00 2.88 H new ATOM 0 H1 DG B 4 2.936 4.866 -1.402 1.00 3.37 H new ATOM 0 H21 DG B 4 1.312 5.329 -4.407 1.00 3.54 H new ATOM 0 H22 DG B 4 2.634 5.780 -3.326 1.00 3.54 H new ATOM 544 P DT B 5 -1.166 -1.919 -5.996 1.00 2.38 P ATOM 545 OP1 DT B 5 -1.612 -2.664 -7.191 1.00 2.42 O ATOM 546 OP2 DT B 5 -0.399 -2.608 -4.930 1.00 2.16 O ATOM 547 O5' DT B 5 -0.286 -0.648 -6.461 1.00 2.52 O ATOM 548 C5' DT B 5 -0.748 0.309 -7.431 1.00 2.76 C ATOM 549 C4' DT B 5 0.382 1.237 -7.859 1.00 2.88 C ATOM 550 O4' DT B 5 0.992 1.956 -6.764 1.00 2.93 O ATOM 551 C3' DT B 5 1.486 0.421 -8.491 1.00 2.76 C ATOM 552 O3' DT B 5 2.084 1.136 -9.549 1.00 2.94 O ATOM 553 C2' DT B 5 2.439 0.239 -7.354 1.00 2.63 C ATOM 554 C1' DT B 5 2.363 1.558 -6.597 1.00 2.81 C ATOM 555 N1 DT B 5 2.600 1.361 -5.151 1.00 2.70 N ATOM 556 C2 DT B 5 3.548 2.135 -4.508 1.00 2.80 C ATOM 557 O2 DT B 5 4.227 2.998 -5.048 1.00 2.96 O ATOM 558 N3 DT B 5 3.704 1.884 -3.170 1.00 2.72 N ATOM 559 C4 DT B 5 3.017 0.952 -2.431 1.00 2.56 C ATOM 560 O4 DT B 5 3.293 0.866 -1.242 1.00 2.56 O ATOM 561 C5 DT B 5 2.041 0.181 -3.177 1.00 2.46 C ATOM 562 C7 DT B 5 1.157 -0.936 -2.573 1.00 2.31 C ATOM 563 C6 DT B 5 1.878 0.417 -4.476 1.00 2.53 C ATOM 0 H5' DT B 5 -1.565 0.895 -7.010 1.00 2.76 H new ATOM 0 H5'' DT B 5 -1.145 -0.212 -8.302 1.00 2.76 H new ATOM 0 H4' DT B 5 -0.071 1.955 -8.543 1.00 2.88 H new ATOM 0 H3' DT B 5 1.149 -0.520 -8.927 1.00 2.76 H new ATOM 0 H2' DT B 5 2.151 -0.601 -6.722 1.00 2.63 H new ATOM 0 H2'' DT B 5 3.450 0.040 -7.708 1.00 2.63 H new ATOM 0 H1' DT B 5 3.100 2.275 -6.959 1.00 2.81 H new ATOM 0 H3 DT B 5 4.398 2.444 -2.674 1.00 2.72 H new ATOM 0 H71 DT B 5 0.211 -0.983 -3.113 1.00 2.31 H new ATOM 0 H72 DT B 5 1.671 -1.893 -2.658 1.00 2.31 H new ATOM 0 H73 DT B 5 0.965 -0.720 -1.522 1.00 2.31 H new ATOM 0 H6 DT B 5 1.145 -0.161 -5.019 1.00 2.53 H new ATOM 576 P DA B 6 3.048 0.372 -10.568 1.00 2.87 P ATOM 577 OP1 DA B 6 2.766 0.876 -11.923 1.00 3.14 O ATOM 578 OP2 DA B 6 3.032 -1.085 -10.299 1.00 2.63 O ATOM 579 O5' DA B 6 4.468 0.939 -10.096 1.00 2.82 O ATOM 580 C5' DA B 6 4.856 2.299 -10.336 1.00 3.12 C ATOM 581 C4' DA B 6 6.168 2.620 -9.637 1.00 3.16 C ATOM 582 O4' DA B 6 6.032 2.468 -8.205 1.00 3.01 O ATOM 583 C3' DA B 6 7.298 1.683 -10.082 1.00 3.01 C ATOM 584 O3' DA B 6 8.523 2.414 -10.219 1.00 3.19 O ATOM 585 C2' DA B 6 7.259 0.667 -8.962 1.00 2.72 C ATOM 586 C1' DA B 6 6.989 1.512 -7.735 1.00 2.82 C ATOM 587 N9 DA B 6 6.436 0.712 -6.629 1.00 2.61 N ATOM 588 C8 DA B 6 5.650 -0.397 -6.674 1.00 2.40 C ATOM 589 N7 DA B 6 5.291 -0.904 -5.535 1.00 2.29 N ATOM 590 C5 DA B 6 5.905 -0.038 -4.638 1.00 2.44 C ATOM 591 C6 DA B 6 5.931 -0.003 -3.246 1.00 2.47 C ATOM 592 N6 DA B 6 5.274 -0.885 -2.501 1.00 2.35 N ATOM 593 N1 DA B 6 6.629 0.974 -2.664 1.00 2.66 N ATOM 594 C2 DA B 6 7.266 1.873 -3.410 1.00 2.82 C ATOM 595 N3 DA B 6 7.314 1.945 -4.726 1.00 2.83 N ATOM 596 C4 DA B 6 6.603 0.946 -5.290 1.00 2.63 C ATOM 0 H5' DA B 6 4.076 2.972 -9.981 1.00 3.12 H new ATOM 0 H5'' DA B 6 4.959 2.468 -11.408 1.00 3.12 H new ATOM 0 H4' DA B 6 6.412 3.648 -9.904 1.00 3.16 H new ATOM 0 H3' DA B 6 7.201 1.213 -11.061 1.00 3.01 H new ATOM 0 H2' DA B 6 6.477 -0.075 -9.119 1.00 2.72 H new ATOM 0 H2'' DA B 6 8.201 0.125 -8.878 1.00 2.72 H new ATOM 0 H1' DA B 6 7.894 1.965 -7.330 1.00 2.82 H new ATOM 0 H8 DA B 6 5.340 -0.834 -7.612 1.00 2.40 H new ATOM 0 H61 DA B 6 5.318 -0.826 -1.484 1.00 2.35 H new ATOM 0 H62 DA B 6 4.726 -1.621 -2.946 1.00 2.35 H new ATOM 0 H2 DA B 6 7.810 2.636 -2.873 1.00 2.82 H new ATOM 608 P DT B 7 9.957 1.857 -9.757 1.00 3.08 P ATOM 609 OP1 DT B 7 11.012 2.648 -10.427 1.00 3.44 O ATOM 610 OP2 DT B 7 9.975 0.377 -9.842 1.00 2.87 O ATOM 611 O5' DT B 7 9.929 2.251 -8.188 1.00 2.91 O ATOM 612 C5' DT B 7 10.184 3.597 -7.732 1.00 3.09 C ATOM 613 C4' DT B 7 11.209 3.637 -6.590 1.00 2.95 C ATOM 614 O4' DT B 7 10.717 2.940 -5.431 1.00 2.79 O ATOM 615 C3' DT B 7 12.531 2.964 -6.989 1.00 2.79 C ATOM 616 O3' DT B 7 13.650 3.428 -6.225 1.00 2.88 O ATOM 617 C2' DT B 7 12.194 1.546 -6.613 1.00 2.49 C ATOM 618 C1' DT B 7 11.450 1.719 -5.288 1.00 2.52 C ATOM 619 N1 DT B 7 10.463 0.669 -4.943 1.00 2.33 N ATOM 620 C2 DT B 7 10.126 0.557 -3.600 1.00 2.31 C ATOM 621 O2 DT B 7 10.591 1.240 -2.697 1.00 2.44 O ATOM 622 N3 DT B 7 9.214 -0.410 -3.287 1.00 2.16 N ATOM 623 C4 DT B 7 8.622 -1.258 -4.164 1.00 2.02 C ATOM 624 O4 DT B 7 7.830 -2.071 -3.706 1.00 1.90 O ATOM 625 C5 DT B 7 9.007 -1.101 -5.544 1.00 2.05 C ATOM 626 C7 DT B 7 8.420 -2.013 -6.628 1.00 1.95 C ATOM 627 C6 DT B 7 9.896 -0.158 -5.889 1.00 2.20 C ATOM 0 H5' DT B 7 9.250 4.048 -7.396 1.00 3.09 H new ATOM 0 H5'' DT B 7 10.547 4.199 -8.565 1.00 3.09 H new ATOM 0 H4' DT B 7 11.375 4.692 -6.369 1.00 2.95 H new ATOM 0 H3' DT B 7 12.831 3.142 -8.022 1.00 2.79 H new ATOM 0 H2' DT B 7 11.572 1.064 -7.367 1.00 2.49 H new ATOM 0 H2'' DT B 7 13.088 0.934 -6.499 1.00 2.49 H new ATOM 0 H1' DT B 7 12.198 1.685 -4.495 1.00 2.52 H new ATOM 0 H3 DT B 7 8.955 -0.503 -2.305 1.00 2.16 H new ATOM 0 H71 DT B 7 8.373 -1.471 -7.573 1.00 1.95 H new ATOM 0 H72 DT B 7 9.053 -2.893 -6.745 1.00 1.95 H new ATOM 0 H73 DT B 7 7.416 -2.324 -6.338 1.00 1.95 H new ATOM 0 H6 DT B 7 10.173 -0.044 -6.927 1.00 2.20 H new ATOM 640 P DA B 8 15.153 3.166 -6.705 1.00 2.70 P ATOM 641 OP1 DA B 8 15.652 4.375 -7.395 1.00 2.93 O ATOM 642 OP2 DA B 8 15.228 1.846 -7.375 1.00 2.50 O ATOM 643 O5' DA B 8 15.901 3.052 -5.306 1.00 2.51 O ATOM 644 C5' DA B 8 16.060 4.098 -4.333 1.00 2.61 C ATOM 645 C4' DA B 8 16.576 3.489 -3.023 1.00 2.46 C ATOM 646 O4' DA B 8 15.586 2.594 -2.462 1.00 2.38 O ATOM 647 C3' DA B 8 17.831 2.652 -3.316 1.00 2.26 C ATOM 648 O3' DA B 8 18.767 2.504 -2.255 1.00 2.27 O ATOM 649 C2' DA B 8 17.174 1.334 -3.614 1.00 2.09 C ATOM 650 C1' DA B 8 16.040 1.239 -2.603 1.00 2.11 C ATOM 651 N9 DA B 8 14.953 0.411 -3.156 1.00 2.01 N ATOM 652 C8 DA B 8 14.533 0.342 -4.451 1.00 2.05 C ATOM 653 N7 DA B 8 13.552 -0.459 -4.699 1.00 1.97 N ATOM 654 C5 DA B 8 13.286 -0.980 -3.440 1.00 1.86 C ATOM 655 C6 DA B 8 12.345 -1.900 -3.013 1.00 1.74 C ATOM 656 N6 DA B 8 11.482 -2.454 -3.852 1.00 1.72 N ATOM 657 N1 DA B 8 12.313 -2.227 -1.715 1.00 1.69 N ATOM 658 C2 DA B 8 13.185 -1.658 -0.882 1.00 1.76 C ATOM 659 N3 DA B 8 14.130 -0.767 -1.166 1.00 1.85 N ATOM 660 C4 DA B 8 14.126 -0.466 -2.487 1.00 1.89 C ATOM 0 H5' DA B 8 15.109 4.603 -4.164 1.00 2.61 H new ATOM 0 H5'' DA B 8 16.759 4.850 -4.700 1.00 2.61 H new ATOM 0 H4' DA B 8 16.791 4.300 -2.327 1.00 2.46 H new ATOM 0 H3' DA B 8 18.453 3.108 -4.086 1.00 2.26 H new ATOM 0 H2' DA B 8 16.798 1.299 -4.637 1.00 2.09 H new ATOM 0 H2'' DA B 8 17.875 0.507 -3.504 1.00 2.09 H new ATOM 0 H1' DA B 8 16.350 0.793 -1.658 1.00 2.11 H new ATOM 0 H8 DA B 8 14.998 0.928 -5.230 1.00 2.05 H new ATOM 0 H61 DA B 8 10.799 -3.130 -3.509 1.00 1.72 H new ATOM 0 H62 DA B 8 11.501 -2.205 -4.841 1.00 1.72 H new ATOM 0 H2 DA B 8 13.115 -1.959 0.153 1.00 1.76 H new ATOM 672 P DC B 9 20.081 1.593 -2.506 1.00 2.17 P ATOM 673 OP1 DC B 9 21.023 2.378 -3.334 1.00 2.44 O ATOM 674 OP2 DC B 9 19.683 0.240 -2.956 1.00 2.37 O ATOM 675 O5' DC B 9 20.696 1.490 -1.023 1.00 1.87 O ATOM 676 C5' DC B 9 19.925 1.223 0.162 1.00 1.93 C ATOM 677 C4' DC B 9 19.289 -0.175 0.229 1.00 1.78 C ATOM 678 O4' DC B 9 18.194 -0.402 -0.693 1.00 1.68 O ATOM 679 C3' DC B 9 20.322 -1.287 -0.022 1.00 1.69 C ATOM 680 O3' DC B 9 20.501 -2.079 1.160 1.00 1.78 O ATOM 681 C2' DC B 9 19.647 -2.049 -1.152 1.00 1.54 C ATOM 682 C1' DC B 9 18.175 -1.823 -0.909 1.00 1.53 C ATOM 683 N1 DC B 9 17.288 -2.271 -2.016 1.00 1.42 N ATOM 684 C2 DC B 9 16.130 -2.962 -1.692 1.00 1.36 C ATOM 685 O2 DC B 9 15.824 -3.237 -0.536 1.00 1.39 O ATOM 686 N3 DC B 9 15.314 -3.359 -2.696 1.00 1.29 N ATOM 687 C4 DC B 9 15.603 -3.102 -3.969 1.00 1.32 C ATOM 688 N4 DC B 9 14.755 -3.533 -4.893 1.00 1.31 N ATOM 689 C5 DC B 9 16.789 -2.395 -4.329 1.00 1.39 C ATOM 690 C6 DC B 9 17.593 -2.005 -3.318 1.00 1.43 C ATOM 0 H5' DC B 9 19.133 1.969 0.236 1.00 1.93 H new ATOM 0 H5'' DC B 9 20.569 1.354 1.032 1.00 1.93 H new ATOM 0 H4' DC B 9 18.892 -0.211 1.244 1.00 1.78 H new ATOM 0 H3' DC B 9 21.329 -0.951 -0.270 1.00 1.69 H new ATOM 0 H2' DC B 9 19.954 -1.672 -2.128 1.00 1.54 H new ATOM 0 H2'' DC B 9 19.899 -3.109 -1.126 1.00 1.54 H new ATOM 0 H1' DC B 9 17.750 -2.405 -0.091 1.00 1.53 H new ATOM 0 H41 DC B 9 14.942 -3.355 -5.880 1.00 1.31 H new ATOM 0 H42 DC B 9 13.915 -4.042 -4.617 1.00 1.31 H new ATOM 0 H5 DC B 9 17.031 -2.183 -5.360 1.00 1.39 H new ATOM 0 H6 DC B 9 18.502 -1.468 -3.546 1.00 1.43 H new ATOM 702 P DC B 10 20.985 -3.611 1.168 1.00 1.74 P ATOM 703 OP1 DC B 10 21.725 -3.869 2.421 1.00 1.90 O ATOM 704 OP2 DC B 10 21.600 -3.940 -0.140 1.00 1.66 O ATOM 705 O5' DC B 10 19.551 -4.335 1.253 1.00 1.67 O ATOM 706 C5' DC B 10 18.694 -4.162 2.400 1.00 1.73 C ATOM 707 C4' DC B 10 17.930 -5.446 2.731 1.00 1.63 C ATOM 708 O4' DC B 10 16.991 -5.790 1.688 1.00 1.47 O ATOM 709 C3' DC B 10 18.911 -6.618 2.894 1.00 1.61 C ATOM 710 O3' DC B 10 18.533 -7.566 3.900 1.00 1.64 O ATOM 711 C2' DC B 10 18.870 -7.175 1.494 1.00 1.45 C ATOM 712 C1' DC B 10 17.413 -7.024 1.086 1.00 1.36 C ATOM 713 N1 DC B 10 17.332 -6.932 -0.387 1.00 1.25 N ATOM 714 C2 DC B 10 16.785 -8.005 -1.081 1.00 1.17 C ATOM 715 O2 DC B 10 16.339 -9.002 -0.513 1.00 1.20 O ATOM 716 N3 DC B 10 16.730 -7.934 -2.435 1.00 1.10 N ATOM 717 C4 DC B 10 17.188 -6.855 -3.080 1.00 1.10 C ATOM 718 N4 DC B 10 17.113 -6.832 -4.400 1.00 1.07 N ATOM 719 C5 DC B 10 17.749 -5.743 -2.390 1.00 1.20 C ATOM 720 C6 DC B 10 17.802 -5.820 -1.049 1.00 1.27 C ATOM 0 H5' DC B 10 17.986 -3.356 2.208 1.00 1.73 H new ATOM 0 H5'' DC B 10 19.292 -3.862 3.260 1.00 1.73 H new ATOM 0 H4' DC B 10 17.386 -5.266 3.658 1.00 1.63 H new ATOM 0 H3' DC B 10 19.901 -6.332 3.249 1.00 1.61 H new ATOM 0 H2' DC B 10 19.532 -6.625 0.825 1.00 1.45 H new ATOM 0 H2'' DC B 10 19.186 -8.218 1.469 1.00 1.45 H new ATOM 0 H1' DC B 10 16.791 -7.862 1.401 1.00 1.36 H new ATOM 0 H41 DC B 10 17.455 -6.021 -4.916 1.00 1.07 H new ATOM 0 H42 DC B 10 16.713 -7.625 -4.902 1.00 1.07 H new ATOM 0 H5 DC B 10 18.116 -4.876 -2.920 1.00 1.20 H new ATOM 0 H6 DC B 10 18.218 -4.999 -0.484 1.00 1.27 H new ATOM 732 P DA B 11 19.401 -8.907 4.185 1.00 1.73 P ATOM 733 OP1 DA B 11 19.427 -9.143 5.643 1.00 1.83 O ATOM 734 OP2 DA B 11 20.668 -8.832 3.419 1.00 1.85 O ATOM 735 O5' DA B 11 18.483 -10.034 3.502 1.00 1.61 O ATOM 736 C5' DA B 11 17.201 -10.424 4.020 1.00 1.53 C ATOM 737 C4' DA B 11 16.704 -11.729 3.387 1.00 1.53 C ATOM 738 O4' DA B 11 16.518 -11.592 1.962 1.00 1.60 O ATOM 739 C3' DA B 11 17.677 -12.898 3.576 1.00 1.50 C ATOM 740 O3' DA B 11 16.938 -14.130 3.641 1.00 1.48 O ATOM 741 C2' DA B 11 18.496 -12.739 2.314 1.00 1.55 C ATOM 742 C1' DA B 11 17.425 -12.473 1.278 1.00 1.52 C ATOM 743 N9 DA B 11 17.926 -11.823 0.060 1.00 1.40 N ATOM 744 C8 DA B 11 18.894 -10.882 -0.094 1.00 1.39 C ATOM 745 N7 DA B 11 19.109 -10.466 -1.306 1.00 1.28 N ATOM 746 C5 DA B 11 18.185 -11.214 -2.033 1.00 1.21 C ATOM 747 C6 DA B 11 17.875 -11.271 -3.394 1.00 1.11 C ATOM 748 N6 DA B 11 18.477 -10.521 -4.315 1.00 1.02 N ATOM 749 N1 DA B 11 16.908 -12.126 -3.757 1.00 1.13 N ATOM 750 C2 DA B 11 16.285 -12.874 -2.853 1.00 1.22 C ATOM 751 N3 DA B 11 16.493 -12.902 -1.551 1.00 1.30 N ATOM 752 C4 DA B 11 17.468 -12.038 -1.205 1.00 1.29 C ATOM 0 H5' DA B 11 16.477 -9.631 3.833 1.00 1.53 H new ATOM 0 H5'' DA B 11 17.268 -10.547 5.101 1.00 1.53 H new ATOM 0 H4' DA B 11 15.764 -11.937 3.898 1.00 1.53 H new ATOM 0 H3' DA B 11 18.281 -12.909 4.483 1.00 1.50 H new ATOM 0 H2' DA B 11 19.206 -11.915 2.389 1.00 1.55 H new ATOM 0 H2'' DA B 11 19.072 -13.636 2.085 1.00 1.55 H new ATOM 0 H1' DA B 11 16.982 -13.405 0.927 1.00 1.52 H new ATOM 0 H8 DA B 11 19.455 -10.500 0.746 1.00 1.39 H new ATOM 0 H61 DA B 11 18.209 -10.605 -5.296 1.00 1.02 H new ATOM 0 H62 DA B 11 19.206 -9.862 -4.040 1.00 1.02 H new ATOM 0 H2 DA B 11 15.519 -13.536 -3.228 1.00 1.22 H new ATOM 764 P DC B 12 17.502 -15.568 3.166 1.00 1.43 P ATOM 765 OP1 DC B 12 16.715 -16.620 3.844 1.00 1.53 O ATOM 766 OP2 DC B 12 18.977 -15.560 3.298 1.00 1.35 O ATOM 767 O5' DC B 12 17.125 -15.620 1.600 1.00 1.52 O ATOM 768 C5' DC B 12 15.772 -15.908 1.194 1.00 1.58 C ATOM 769 C4' DC B 12 15.693 -16.604 -0.164 1.00 1.37 C ATOM 770 O4' DC B 12 16.254 -15.756 -1.183 1.00 1.13 O ATOM 771 C3' DC B 12 16.476 -17.927 -0.244 1.00 1.35 C ATOM 772 O3' DC B 12 15.953 -18.723 -1.319 1.00 1.36 O ATOM 773 C2' DC B 12 17.823 -17.382 -0.646 1.00 1.14 C ATOM 774 C1' DC B 12 17.416 -16.402 -1.729 1.00 0.98 C ATOM 775 N1 DC B 12 18.438 -15.422 -2.154 1.00 0.83 N ATOM 776 C2 DC B 12 18.609 -15.263 -3.519 1.00 0.63 C ATOM 777 O2 DC B 12 17.964 -15.909 -4.344 1.00 0.62 O ATOM 778 N3 DC B 12 19.518 -14.368 -3.958 1.00 0.52 N ATOM 779 C4 DC B 12 20.240 -13.647 -3.105 1.00 0.60 C ATOM 780 N4 DC B 12 21.098 -12.788 -3.629 1.00 0.51 N ATOM 781 C5 DC B 12 20.089 -13.789 -1.689 1.00 0.85 C ATOM 782 C6 DC B 12 19.177 -14.687 -1.260 1.00 0.95 C ATOM 0 H5' DC B 12 15.205 -14.978 1.153 1.00 1.58 H new ATOM 0 H5'' DC B 12 15.298 -16.538 1.947 1.00 1.58 H new ATOM 0 H4' DC B 12 14.632 -16.811 -0.308 1.00 1.37 H new ATOM 0 H3' DC B 12 16.457 -18.547 0.652 1.00 1.35 H new ATOM 0 H2' DC B 12 18.336 -16.894 0.183 1.00 1.14 H new ATOM 0 H2'' DC B 12 18.489 -18.159 -1.020 1.00 1.14 H new ATOM 0 HO3' DC B 12 16.450 -19.566 -1.374 1.00 1.36 H new ATOM 0 H1' DC B 12 17.241 -16.940 -2.661 1.00 0.98 H new ATOM 0 H41 DC B 12 21.677 -12.210 -3.020 1.00 0.51 H new ATOM 0 H42 DC B 12 21.181 -12.704 -4.642 1.00 0.51 H new ATOM 0 H5 DC B 12 20.677 -13.205 -0.996 1.00 0.85 H new ATOM 0 H6 DC B 12 19.027 -14.829 -0.200 1.00 0.95 H new TER 795 DC B 12 HETATM 796 C1 DAJ B 13 3.456 -0.995 0.664 1.00 2.37 C HETATM 797 C2 DAJ B 13 3.822 -2.453 0.298 1.00 2.11 C HETATM 798 N1 DAJ B 13 5.226 -2.870 0.640 1.00 2.04 N HETATM 799 C3 DAJ B 13 2.839 -3.387 1.019 1.00 2.04 C HETATM 800 N2 DAJ B 13 1.717 -2.478 1.231 1.00 2.27 N HETATM 801 C4 DAJ B 13 1.978 -1.169 1.124 1.00 2.44 C HETATM 802 C12 DAJ B 13 0.412 -2.586 1.629 1.00 2.39 C HETATM 803 C11 DAJ B 13 -0.120 -1.322 1.733 1.00 2.61 C HETATM 804 O1 DAJ B 13 0.141 -4.875 1.765 1.00 2.17 O HETATM 805 C5 DAJ B 13 -0.358 -3.759 1.906 1.00 2.33 C HETATM 806 C6 DAJ B 13 -1.730 -3.601 2.302 1.00 2.51 C HETATM 807 C13 DAJ B 13 -2.611 -4.836 2.578 1.00 2.51 C HETATM 808 C7 DAJ B 13 -2.278 -2.286 2.438 1.00 2.71 C HETATM 809 N3 DAJ B 13 -3.535 -2.154 2.850 1.00 2.88 N HETATM 810 O2 DAJ B 13 -1.908 0.021 2.310 1.00 2.97 O HETATM 811 C8 DAJ B 13 -1.468 -1.121 2.183 1.00 2.77 C HETATM 812 C9 DAJ B 13 0.874 -0.401 1.441 1.00 2.66 C HETATM 813 C10 DAJ B 13 0.702 1.143 1.460 1.00 2.91 C HETATM 0 H133 DAJ B 13 -2.671 -5.449 1.679 1.00 2.51 H new HETATM 0 H132 DAJ B 13 -2.174 -5.421 3.387 1.00 2.51 H new HETATM 0 H131 DAJ B 13 -3.612 -4.512 2.864 1.00 2.51 H new HETATM 0 H103 DAJ B 13 1.407 1.579 2.167 1.00 2.91 H new HETATM 0 H101 DAJ B 13 -0.315 1.392 1.762 1.00 2.91 H new HETATM 0 HN5 DAJ B 13 -3.943 -1.225 2.953 1.00 2.88 H new HETATM 0 HN4 DAJ B 13 -4.091 -2.982 3.063 1.00 2.88 H new HETATM 0 HN3 DAJ B 13 5.453 -3.735 0.150 1.00 2.04 H new HETATM 0 HN2 DAJ B 13 5.877 -2.138 0.356 1.00 2.04 H new HETATM 0 HN1 DAJ B 13 5.301 -3.020 1.646 1.00 2.04 H new HETATM 0 H32 DAJ B 13 2.565 -4.249 0.411 1.00 2.04 H new HETATM 0 H31 DAJ B 13 3.243 -3.772 1.955 1.00 2.04 H new HETATM 0 H2 DAJ B 13 3.756 -2.519 -0.788 1.00 2.11 H new HETATM 0 H12 DAJ B 13 4.091 -0.596 1.456 1.00 2.37 H new HETATM 0 H11 DAJ B 13 3.547 -0.320 -0.187 1.00 2.37 H new CONECT 110 399 CONECT 382 383 387 400 401 CONECT 383 382 384 385 402 CONECT 384 383 403 404 405 CONECT 385 383 386 406 407 CONECT 386 385 387 388 CONECT 387 382 386 398 CONECT 388 386 389 391 CONECT 389 388 397 398 CONECT 390 391 CONECT 391 388 390 392 CONECT 392 391 393 394 CONECT 393 392 408 409 410 CONECT 394 392 395 397 CONECT 395 394 411 412 CONECT 396 397 CONECT 397 389 394 396 CONECT 398 387 389 399 CONECT 399 110 398 413 414 CONECT 400 382 CONECT 401 382 CONECT 402 383 CONECT 403 384 CONECT 404 384 CONECT 405 384 CONECT 406 385 CONECT 407 385 CONECT 408 393 CONECT 409 393 CONECT 410 393 CONECT 411 395 CONECT 412 395 CONECT 413 399 CONECT 414 399 CONECT 524 813 CONECT 796 797 801 814 815 CONECT 797 796 798 799 816 CONECT 798 797 817 818 819 CONECT 799 797 800 820 821 CONECT 800 799 801 802 CONECT 801 796 800 812 CONECT 802 800 803 805 CONECT 803 802 811 812 CONECT 804 805 CONECT 805 802 804 806 CONECT 806 805 807 808 CONECT 807 806 822 823 824 CONECT 808 806 809 811 CONECT 809 808 825 826 CONECT 810 811 CONECT 811 803 808 810 CONECT 812 801 803 813 CONECT 813 524 812 827 828 CONECT 814 796 CONECT 815 796 CONECT 816 797 CONECT 817 798 CONECT 818 798 CONECT 819 798 CONECT 820 799 CONECT 821 799 CONECT 822 807 CONECT 823 807 CONECT 824 807 CONECT 825 809 CONECT 826 809 CONECT 827 813 CONECT 828 813 END