USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 265 hydrogens (15 hets) HEADER DNA 02-DEC-99 1DJD TITLE THE SOLUTION STRUCTURE OF A NON-BAY REGION 11R- TITLE 2 BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF TITLE 3 ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N- TITLE 4 RAS CODON 61 SEQUENCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA(5'-D(*CT*GT*GT*AT*CT*AT*AT*GT*AT*AT*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA(5'-D(*CT*TT*TT*CT*TT*TT*GT*TT*CT*CT*G)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE OBSERVED IN HUMAN N-RAS CODON 61; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES KEYWDS BENZ[A]ANTHRACENE-DNA DUPLEX EXPDTA SOLUTION NMR AUTHOR Z.LI,H.Y.KIM,P.J.TAMURA,C.M.HARRIS,T.M.HARRIS,M.P.STONE REVDAT 2 24-FEB-09 1DJD 1 VERSN REVDAT 1 16-DEC-99 1DJD 0 JRNL AUTH Z.LI,H.Y.KIM,P.J.TAMURA,C.M.HARRIS,T.M.HARRIS, JRNL AUTH 2 M.P.STONE JRNL TITL ROLE OF A POLYCYCLIC AROMATIC HYDROCARBON BAY JRNL TITL 2 REGION RING IN MODULATING DNA ADDUCT STRUCTURE: JRNL TITL 3 THE NON-BAY REGION (8S,9R,10S, JRNL TITL 4 11R)-N(6)-[11-(8,9,10,11-TETRAHYDRO-8,9, JRNL TITL 5 10-TRIHYDROXYBENZ[A]ANTHRACENYL)]-2' JRNL TITL 6 -DEOXYADENOSYL ADDUCT IN CODON 61 OF THE HUMAN JRNL TITL 7 N-RAS PROTOONCOGENE JRNL REF BIOCHEMISTRY V. 38 14820 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10555964 JRNL DOI 10.1021/BI991607Z REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CORMA 5.2 REMARK 3 AUTHORS : BORGIAS, THOMAS, LI, KUMAR, TONELLI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 475 NOE DERIVED DISTANCE CONSTRAINTS, 55 EMPIRICAL SUGAR REMARK 3 PUCKER RESTRAINTS, 35 EMPIRICAL BACKBONE ANGLE RESTRAINTS, AND REMARK 3 18 EMPIRICAL PLANARITY RESTRAINTS. REMARK 4 REMARK 4 1DJD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-DEC-99. REMARK 100 THE RCSB ID CODE IS RCSB010129. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 293 REMARK 210 PH : 7.0; 7.0 REMARK 210 IONIC STRENGTH : 0.1 M NACL; 0.1 M NACL REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 1.8 MM OLIGODEOXYNUCLEOTIDE; REMARK 210 10 MM PHOSPHATE BUFFER; 0.05 REMARK 210 MM EDTA; 0.1 M NACL; 1.8 MM REMARK 210 OLIGODEOXYNUCLEOTIDE; 10 MM REMARK 210 PHOSPHATE BUFFER; 0.05 MM REMARK 210 EDTA; 0.1 M NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.0, X-PLOR 3.851, REMARK 210 FELIX 97.0, MARDIGRAS 3.0 REMARK 210 METHOD USED : NOE-RESTRAINED MOLECULAR REMARK 210 DYNAMICS/SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE REMARK 210 WITH EXPERIMENTAL NOESY REMARK 210 SPECTRUM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 12 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 2D HOMONUCLEAR REMARK 210 TECHNIQUES 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 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. = 3.3 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 7 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 8 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DA A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA A 10 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DT B 13 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT B 16 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 22 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG B 22 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG B 22 C8 - N9 - C4 ANGL. DEV. = -2.4 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 TBT A 25 DBREF 1DJD A 1 11 PDB 1DJD 1DJD 1 11 DBREF 1DJD B 12 22 PDB 1DJD 1DJD 12 22 SEQRES 1 A 11 DC DG DG DA DC DA DA DG DA DA DG SEQRES 1 B 11 DC DT DT DC DT DT DG DT DC DC DG HET TBT A 25 36 HETNAM TBT 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL FORMUL 3 TBT C18 H16 O3 LINK C4C TBT A 25 N6 DA A 6 1555 1555 1.34 SITE *** AC1 5 DA A 6 DA A 7 DT B 16 DT B 17 SITE *** AC1 5 DG B 18 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 6 DA H62 : A 6 DA N6 : A 25 TBT C4C :(H bumps) USER MOD NoAdj-H: A 25 TBTH4C2 : A 25 TBT C4C : A 6 DA N6 :(H bumps) USER MOD Set 1.1: B 13 DT C7 :methyl -30:sc= -3.16! (180deg=-4.47!) USER MOD Set 1.2: B 14 DT C7 :methyl 150:sc= -4.66! (180deg=-4.66!) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : A 25 TBT O1 : rot -170:sc= 0 USER MOD Single : A 25 TBT O2 : rot -147:sc= 0.0588 USER MOD Single : A 25 TBT O3 : rot 71:sc= 1.27 USER MOD Single : B 12 DC O5' : rot 180:sc= -0.0474 USER MOD Single : B 16 DT C7 :methyl 150:sc= -1.03 (180deg=-1.03) USER MOD Single : B 17 DT C7 :methyl -30:sc= -4.3! (180deg=-8.28!) USER MOD Single : B 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 1.432 18.609 15.184 1.00 0.20 O ATOM 2 C5' DC A 1 0.767 19.482 16.101 1.00 0.20 C ATOM 3 C4' DC A 1 -0.583 18.917 16.529 1.00 0.19 C ATOM 4 O4' DC A 1 -1.404 18.642 15.369 1.00 0.14 O ATOM 5 C3' DC A 1 -0.406 17.611 17.299 1.00 0.23 C ATOM 6 O3' DC A 1 -1.043 17.682 18.582 1.00 0.25 O ATOM 7 C2' DC A 1 -1.033 16.558 16.439 1.00 0.20 C ATOM 8 C1' DC A 1 -1.904 17.295 15.443 1.00 0.15 C ATOM 9 N1 DC A 1 -1.890 16.633 14.116 1.00 0.12 N ATOM 10 C2 DC A 1 -3.116 16.403 13.507 1.00 0.09 C ATOM 11 O2 DC A 1 -4.157 16.742 14.066 1.00 0.11 O ATOM 12 N3 DC A 1 -3.129 15.797 12.289 1.00 0.08 N ATOM 13 C4 DC A 1 -1.990 15.429 11.688 1.00 0.12 C ATOM 14 N4 DC A 1 -2.041 14.837 10.494 1.00 0.15 N ATOM 15 C5 DC A 1 -0.724 15.662 12.310 1.00 0.16 C ATOM 16 C6 DC A 1 -0.718 16.262 13.515 1.00 0.15 C ATOM 0 H5' DC A 1 0.624 20.458 15.637 1.00 0.20 H new ATOM 0 H5'' DC A 1 1.394 19.635 16.979 1.00 0.20 H new ATOM 0 H4' DC A 1 -1.062 19.661 17.166 1.00 0.19 H new ATOM 0 H3' DC A 1 0.644 17.395 17.497 1.00 0.23 H new ATOM 0 H2' DC A 1 -0.272 15.967 15.929 1.00 0.20 H new ATOM 0 H2'' DC A 1 -1.625 15.867 17.038 1.00 0.20 H new ATOM 0 HO5' DC A 1 2.293 18.999 14.927 1.00 0.20 H new ATOM 0 H1' DC A 1 -2.945 17.291 15.765 1.00 0.15 H new ATOM 0 H41 DC A 1 -1.179 14.553 10.028 1.00 0.15 H new ATOM 0 H42 DC A 1 -2.942 14.668 10.047 1.00 0.15 H new ATOM 0 H5 DC A 1 0.197 15.367 11.829 1.00 0.16 H new ATOM 0 H6 DC A 1 0.221 16.453 14.013 1.00 0.15 H new ATOM 29 P DG A 2 -1.063 16.407 19.568 1.00 0.31 P ATOM 30 OP1 DG A 2 -1.213 16.897 20.957 1.00 1.60 O ATOM 31 OP2 DG A 2 0.075 15.527 19.217 1.00 0.98 O ATOM 32 O5' DG A 2 -2.426 15.661 19.144 1.00 0.28 O ATOM 33 C5' DG A 2 -3.691 16.169 19.579 1.00 0.33 C ATOM 34 C4' DG A 2 -4.834 15.217 19.246 1.00 0.32 C ATOM 35 O4' DG A 2 -5.001 15.073 17.812 1.00 0.27 O ATOM 36 C3' DG A 2 -4.582 13.830 19.824 1.00 0.32 C ATOM 37 O3' DG A 2 -5.702 13.393 20.606 1.00 0.36 O ATOM 38 C2' DG A 2 -4.366 12.948 18.622 1.00 0.28 C ATOM 39 C1' DG A 2 -5.043 13.671 17.477 1.00 0.25 C ATOM 40 N9 DG A 2 -4.368 13.407 16.188 1.00 0.20 N ATOM 41 C8 DG A 2 -3.043 13.359 15.891 1.00 0.17 C ATOM 42 N7 DG A 2 -2.713 13.111 14.668 1.00 0.13 N ATOM 43 C5 DG A 2 -3.962 12.973 14.057 1.00 0.14 C ATOM 44 C6 DG A 2 -4.283 12.691 12.704 1.00 0.12 C ATOM 45 O6 DG A 2 -3.518 12.504 11.763 1.00 0.09 O ATOM 46 N1 DG A 2 -5.657 12.637 12.506 1.00 0.16 N ATOM 47 C2 DG A 2 -6.610 12.829 13.485 1.00 0.20 C ATOM 48 N2 DG A 2 -7.883 12.737 13.097 1.00 0.24 N ATOM 49 N3 DG A 2 -6.316 13.095 14.762 1.00 0.22 N ATOM 50 C4 DG A 2 -4.981 13.153 14.980 1.00 0.19 C ATOM 0 H5' DG A 2 -3.875 17.135 19.108 1.00 0.33 H new ATOM 0 H5'' DG A 2 -3.663 16.339 20.655 1.00 0.33 H new ATOM 0 H4' DG A 2 -5.733 15.650 19.685 1.00 0.32 H new ATOM 0 H3' DG A 2 -3.726 13.809 20.498 1.00 0.32 H new ATOM 0 H2' DG A 2 -3.304 12.804 18.424 1.00 0.28 H new ATOM 0 H2'' DG A 2 -4.799 11.959 18.775 1.00 0.28 H new ATOM 0 H1' DG A 2 -6.068 13.324 17.348 1.00 0.25 H new ATOM 0 H8 DG A 2 -2.293 13.522 16.651 1.00 0.17 H new ATOM 0 H1 DG A 2 -5.988 12.440 11.561 1.00 0.16 H new ATOM 0 H21 DG A 2 -8.634 12.869 13.775 1.00 0.24 H new ATOM 0 H22 DG A 2 -8.106 12.535 12.122 1.00 0.24 H new ATOM 62 P DG A 3 -5.744 11.918 21.257 1.00 0.37 P ATOM 63 OP1 DG A 3 -6.351 12.023 22.603 1.00 1.54 O ATOM 64 OP2 DG A 3 -4.411 11.293 21.096 1.00 1.09 O ATOM 65 O5' DG A 3 -6.780 11.149 20.295 1.00 0.34 O ATOM 66 C5' DG A 3 -8.130 11.606 20.177 1.00 0.36 C ATOM 67 C4' DG A 3 -8.859 10.926 19.026 1.00 0.32 C ATOM 68 O4' DG A 3 -8.179 11.161 17.772 1.00 0.29 O ATOM 69 C3' DG A 3 -8.927 9.419 19.238 1.00 0.29 C ATOM 70 O3' DG A 3 -10.271 8.939 19.134 1.00 0.28 O ATOM 71 C2' DG A 3 -8.049 8.838 18.178 1.00 0.24 C ATOM 72 C1' DG A 3 -7.936 9.899 17.119 1.00 0.24 C ATOM 73 N9 DG A 3 -6.598 9.881 16.496 1.00 0.23 N ATOM 74 C8 DG A 3 -5.380 9.997 17.078 1.00 0.23 C ATOM 75 N7 DG A 3 -4.343 9.953 16.312 1.00 0.22 N ATOM 76 C5 DG A 3 -4.926 9.786 15.054 1.00 0.20 C ATOM 77 C6 DG A 3 -4.313 9.666 13.779 1.00 0.17 C ATOM 78 O6 DG A 3 -3.115 9.685 13.504 1.00 0.17 O ATOM 79 N1 DG A 3 -5.259 9.512 12.773 1.00 0.16 N ATOM 80 C2 DG A 3 -6.626 9.477 12.964 1.00 0.17 C ATOM 81 N2 DG A 3 -7.373 9.321 11.871 1.00 0.16 N ATOM 82 N3 DG A 3 -7.210 9.589 14.161 1.00 0.19 N ATOM 83 C4 DG A 3 -6.309 9.740 15.157 1.00 0.20 C ATOM 0 H5' DG A 3 -8.136 12.685 20.024 1.00 0.36 H new ATOM 0 H5'' DG A 3 -8.662 11.413 21.109 1.00 0.36 H new ATOM 0 H4' DG A 3 -9.863 11.348 18.995 1.00 0.32 H new ATOM 0 H3' DG A 3 -8.595 9.132 20.236 1.00 0.29 H new ATOM 0 H2' DG A 3 -7.069 8.579 18.579 1.00 0.24 H new ATOM 0 H2'' DG A 3 -8.479 7.923 17.771 1.00 0.24 H new ATOM 0 H1' DG A 3 -8.657 9.728 16.319 1.00 0.24 H new ATOM 0 H8 DG A 3 -5.281 10.122 18.146 1.00 0.23 H new ATOM 0 H1 DG A 3 -4.916 9.417 11.817 1.00 0.16 H new ATOM 0 H21 DG A 3 -8.390 9.288 11.948 1.00 0.16 H new ATOM 0 H22 DG A 3 -6.928 9.235 10.957 1.00 0.16 H new ATOM 95 P DA A 4 -10.684 7.517 19.772 1.00 0.26 P ATOM 96 OP1 DA A 4 -12.069 7.625 20.284 1.00 1.53 O ATOM 97 OP2 DA A 4 -9.597 7.073 20.673 1.00 1.05 O ATOM 98 O5' DA A 4 -10.696 6.554 18.485 1.00 0.21 O ATOM 99 C5' DA A 4 -11.646 6.766 17.439 1.00 0.19 C ATOM 100 C4' DA A 4 -11.344 5.904 16.219 1.00 0.14 C ATOM 101 O4' DA A 4 -10.077 6.282 15.621 1.00 0.12 O ATOM 102 C3' DA A 4 -11.255 4.433 16.599 1.00 0.12 C ATOM 103 O3' DA A 4 -12.021 3.635 15.677 1.00 0.10 O ATOM 104 C2' DA A 4 -9.781 4.128 16.540 1.00 0.12 C ATOM 105 C1' DA A 4 -9.219 5.125 15.556 1.00 0.11 C ATOM 106 N9 DA A 4 -7.825 5.471 15.879 1.00 0.11 N ATOM 107 C8 DA A 4 -7.294 5.930 17.034 1.00 0.15 C ATOM 108 N7 DA A 4 -6.023 6.164 17.055 1.00 0.15 N ATOM 109 C5 DA A 4 -5.653 5.818 15.750 1.00 0.11 C ATOM 110 C6 DA A 4 -4.427 5.824 15.077 1.00 0.10 C ATOM 111 N6 DA A 4 -3.284 6.206 15.644 1.00 0.11 N ATOM 112 N1 DA A 4 -4.424 5.420 13.795 1.00 0.11 N ATOM 113 C2 DA A 4 -5.555 5.030 13.205 1.00 0.12 C ATOM 114 N3 DA A 4 -6.766 4.985 13.747 1.00 0.11 N ATOM 115 C4 DA A 4 -6.745 5.395 15.030 1.00 0.10 C ATOM 0 H5' DA A 4 -11.642 7.817 17.152 1.00 0.19 H new ATOM 0 H5'' DA A 4 -12.647 6.540 17.806 1.00 0.19 H new ATOM 0 H4' DA A 4 -12.158 6.060 15.511 1.00 0.14 H new ATOM 0 H3' DA A 4 -11.666 4.211 17.584 1.00 0.12 H new ATOM 0 H2' DA A 4 -9.316 4.234 17.520 1.00 0.12 H new ATOM 0 H2'' DA A 4 -9.602 3.104 16.211 1.00 0.12 H new ATOM 0 H1' DA A 4 -9.196 4.711 14.548 1.00 0.11 H new ATOM 0 H8 DA A 4 -7.909 6.095 17.907 1.00 0.15 H new ATOM 0 H61 DA A 4 -2.418 6.191 15.106 1.00 0.11 H new ATOM 0 H62 DA A 4 -3.275 6.514 16.616 1.00 0.11 H new ATOM 0 H2 DA A 4 -5.477 4.717 12.174 1.00 0.12 H new ATOM 127 P DC A 5 -11.676 2.085 15.393 1.00 0.08 P ATOM 128 OP1 DC A 5 -12.857 1.456 14.760 1.00 1.31 O ATOM 129 OP2 DC A 5 -11.099 1.499 16.624 1.00 1.26 O ATOM 130 O5' DC A 5 -10.504 2.195 14.290 1.00 0.08 O ATOM 131 C5' DC A 5 -10.701 1.718 12.954 1.00 0.09 C ATOM 132 C4' DC A 5 -9.926 0.429 12.707 1.00 0.13 C ATOM 133 O4' DC A 5 -8.516 0.649 12.888 1.00 0.14 O ATOM 134 C3' DC A 5 -10.376 -0.661 13.666 1.00 0.16 C ATOM 135 O3' DC A 5 -10.882 -1.780 12.927 1.00 0.20 O ATOM 136 C2' DC A 5 -9.150 -1.024 14.479 1.00 0.17 C ATOM 137 C1' DC A 5 -7.975 -0.277 13.843 1.00 0.16 C ATOM 138 N1 DC A 5 -7.100 0.464 14.801 1.00 0.14 N ATOM 139 C2 DC A 5 -5.853 0.846 14.312 1.00 0.15 C ATOM 140 O2 DC A 5 -5.524 0.553 13.164 1.00 0.17 O ATOM 141 N3 DC A 5 -5.021 1.549 15.126 1.00 0.14 N ATOM 142 C4 DC A 5 -5.382 1.867 16.371 1.00 0.13 C ATOM 143 N4 DC A 5 -4.533 2.548 17.143 1.00 0.12 N ATOM 144 C5 DC A 5 -6.658 1.481 16.885 1.00 0.13 C ATOM 145 C6 DC A 5 -7.482 0.789 16.079 1.00 0.14 C ATOM 0 H5' DC A 5 -10.381 2.479 12.243 1.00 0.09 H new ATOM 0 H5'' DC A 5 -11.763 1.545 12.780 1.00 0.09 H new ATOM 0 H4' DC A 5 -10.122 0.115 11.682 1.00 0.13 H new ATOM 0 H3' DC A 5 -11.184 -0.335 14.321 1.00 0.16 H new ATOM 0 H2' DC A 5 -9.276 -0.734 15.522 1.00 0.17 H new ATOM 0 H2'' DC A 5 -8.979 -2.100 14.465 1.00 0.17 H new ATOM 0 H1' DC A 5 -7.330 -1.031 13.391 1.00 0.16 H new ATOM 0 H41 DC A 5 -4.798 2.797 18.096 1.00 0.12 H new ATOM 0 H42 DC A 5 -3.619 2.820 16.780 1.00 0.12 H new ATOM 0 H5 DC A 5 -6.952 1.738 17.892 1.00 0.13 H new ATOM 0 H6 DC A 5 -8.454 0.486 16.440 1.00 0.14 H new ATOM 157 P DA A 6 -11.889 -2.839 13.605 1.00 0.23 P ATOM 158 OP1 DA A 6 -13.276 -2.401 13.331 1.00 1.20 O ATOM 159 OP2 DA A 6 -11.451 -3.073 15.000 1.00 1.40 O ATOM 160 O5' DA A 6 -11.605 -4.179 12.759 1.00 0.27 O ATOM 161 C5' DA A 6 -11.905 -4.232 11.358 1.00 0.28 C ATOM 162 C4' DA A 6 -11.051 -5.276 10.644 1.00 0.28 C ATOM 163 O4' DA A 6 -9.645 -5.014 10.876 1.00 0.26 O ATOM 164 C3' DA A 6 -11.354 -6.672 11.171 1.00 0.28 C ATOM 165 O3' DA A 6 -11.379 -7.624 10.095 1.00 0.28 O ATOM 166 C2' DA A 6 -10.229 -6.958 12.130 1.00 0.25 C ATOM 167 C1' DA A 6 -9.075 -6.070 11.681 1.00 0.24 C ATOM 168 N9 DA A 6 -8.350 -5.524 12.842 1.00 0.22 N ATOM 169 C8 DA A 6 -8.800 -4.764 13.868 1.00 0.24 C ATOM 170 N7 DA A 6 -7.954 -4.430 14.779 1.00 0.22 N ATOM 171 C5 DA A 6 -6.786 -5.040 14.314 1.00 0.19 C ATOM 172 C6 DA A 6 -5.482 -5.090 14.817 1.00 0.17 C ATOM 173 N6 DA A 6 -5.107 -4.432 15.946 1.00 0.16 N ATOM 174 N1 DA A 6 -4.567 -5.800 14.085 1.00 0.15 N ATOM 175 C2 DA A 6 -4.928 -6.400 12.953 1.00 0.16 C ATOM 176 N3 DA A 6 -6.133 -6.407 12.400 1.00 0.18 N ATOM 177 C4 DA A 6 -7.020 -5.707 13.134 1.00 0.20 C ATOM 0 H5' DA A 6 -11.734 -3.253 10.911 1.00 0.28 H new ATOM 0 H5'' DA A 6 -12.960 -4.466 11.219 1.00 0.28 H new ATOM 0 H4' DA A 6 -11.282 -5.219 9.580 1.00 0.28 H new ATOM 0 H3' DA A 6 -12.330 -6.740 11.652 1.00 0.28 H new ATOM 0 H2' DA A 6 -10.521 -6.733 13.156 1.00 0.25 H new ATOM 0 H2'' DA A 6 -9.948 -8.011 12.102 1.00 0.25 H new ATOM 0 H1' DA A 6 -8.349 -6.641 11.103 1.00 0.24 H new ATOM 0 H8 DA A 6 -9.832 -4.449 13.920 1.00 0.24 H new ATOM 0 H61 DA A 6 -4.145 -4.496 16.278 1.00 0.16 H new ATOM 0 H2 DA A 6 -4.155 -6.940 12.427 1.00 0.16 H new ATOM 188 P DA A 7 -11.277 -9.212 10.372 1.00 0.27 P ATOM 189 OP1 DA A 7 -11.612 -9.923 9.118 1.00 1.54 O ATOM 190 OP2 DA A 7 -12.022 -9.517 11.615 1.00 1.03 O ATOM 191 O5' DA A 7 -9.703 -9.415 10.664 1.00 0.23 O ATOM 192 C5' DA A 7 -8.735 -9.073 9.666 1.00 0.22 C ATOM 193 C4' DA A 7 -7.351 -9.634 9.985 1.00 0.19 C ATOM 194 O4' DA A 7 -6.731 -8.921 11.085 1.00 0.18 O ATOM 195 C3' DA A 7 -7.433 -11.104 10.379 1.00 0.16 C ATOM 196 O3' DA A 7 -6.507 -11.891 9.617 1.00 0.15 O ATOM 197 C2' DA A 7 -7.103 -11.121 11.840 1.00 0.15 C ATOM 198 C1' DA A 7 -6.288 -9.874 12.074 1.00 0.15 C ATOM 199 N9 DA A 7 -6.481 -9.361 13.442 1.00 0.15 N ATOM 200 C8 DA A 7 -7.628 -9.178 14.132 1.00 0.18 C ATOM 201 N7 DA A 7 -7.538 -8.708 15.332 1.00 0.18 N ATOM 202 C5 DA A 7 -6.154 -8.556 15.470 1.00 0.16 C ATOM 203 C6 DA A 7 -5.351 -8.093 16.518 1.00 0.15 C ATOM 204 N6 DA A 7 -5.843 -7.681 17.686 1.00 0.17 N ATOM 205 N1 DA A 7 -4.021 -8.073 16.317 1.00 0.12 N ATOM 206 C2 DA A 7 -3.508 -8.484 15.156 1.00 0.11 C ATOM 207 N3 DA A 7 -4.174 -8.941 14.100 1.00 0.12 N ATOM 208 C4 DA A 7 -5.503 -8.951 14.324 1.00 0.14 C ATOM 0 H5' DA A 7 -8.674 -7.988 9.579 1.00 0.22 H new ATOM 0 H5'' DA A 7 -9.064 -9.452 8.699 1.00 0.22 H new ATOM 0 H4' DA A 7 -6.755 -9.516 9.080 1.00 0.19 H new ATOM 0 H3' DA A 7 -8.414 -11.536 10.181 1.00 0.16 H new ATOM 0 H2' DA A 7 -8.007 -11.121 12.448 1.00 0.15 H new ATOM 0 H2'' DA A 7 -6.540 -12.016 12.106 1.00 0.15 H new ATOM 0 H1' DA A 7 -5.220 -10.072 11.978 1.00 0.15 H new ATOM 0 H8 DA A 7 -8.587 -9.416 13.696 1.00 0.18 H new ATOM 0 H61 DA A 7 -5.213 -7.353 18.418 1.00 0.17 H new ATOM 0 H62 DA A 7 -6.850 -7.694 17.848 1.00 0.17 H new ATOM 0 H2 DA A 7 -2.433 -8.441 15.064 1.00 0.11 H new ATOM 220 P DG A 8 -6.322 -13.469 9.896 1.00 0.11 P ATOM 221 OP1 DG A 8 -6.137 -14.150 8.595 1.00 1.38 O ATOM 222 OP2 DG A 8 -7.395 -13.914 10.814 1.00 1.18 O ATOM 223 O5' DG A 8 -4.925 -13.515 10.694 1.00 0.10 O ATOM 224 C5' DG A 8 -3.721 -13.070 10.061 1.00 0.09 C ATOM 225 C4' DG A 8 -2.517 -13.182 10.984 1.00 0.06 C ATOM 226 O4' DG A 8 -2.649 -12.281 12.110 1.00 0.08 O ATOM 227 C3' DG A 8 -2.368 -14.596 11.533 1.00 0.05 C ATOM 228 O3' DG A 8 -1.034 -15.077 11.337 1.00 0.06 O ATOM 229 C2' DG A 8 -2.711 -14.471 12.990 1.00 0.05 C ATOM 230 C1' DG A 8 -2.466 -13.019 13.333 1.00 0.07 C ATOM 231 N9 DG A 8 -3.396 -12.558 14.382 1.00 0.09 N ATOM 232 C8 DG A 8 -4.751 -12.595 14.407 1.00 0.11 C ATOM 233 N7 DG A 8 -5.344 -12.125 15.452 1.00 0.12 N ATOM 234 C5 DG A 8 -4.261 -11.720 16.235 1.00 0.12 C ATOM 235 C6 DG A 8 -4.247 -11.117 17.519 1.00 0.14 C ATOM 236 O6 DG A 8 -5.203 -10.817 18.229 1.00 0.15 O ATOM 237 N1 DG A 8 -2.952 -10.868 17.952 1.00 0.13 N ATOM 238 C2 DG A 8 -1.805 -11.162 17.242 1.00 0.12 C ATOM 239 N2 DG A 8 -0.650 -10.846 17.829 1.00 0.12 N ATOM 240 N3 DG A 8 -1.809 -11.729 16.031 1.00 0.10 N ATOM 241 C4 DG A 8 -3.062 -11.981 15.588 1.00 0.10 C ATOM 0 H5' DG A 8 -3.840 -12.034 9.744 1.00 0.09 H new ATOM 0 H5'' DG A 8 -3.545 -13.660 9.162 1.00 0.09 H new ATOM 0 H4' DG A 8 -1.640 -12.923 10.391 1.00 0.06 H new ATOM 0 H3' DG A 8 -3.014 -15.315 11.029 1.00 0.05 H new ATOM 0 H2' DG A 8 -3.748 -14.750 13.175 1.00 0.05 H new ATOM 0 H2'' DG A 8 -2.091 -15.129 13.598 1.00 0.05 H new ATOM 0 H1' DG A 8 -1.462 -12.871 13.732 1.00 0.07 H new ATOM 0 H8 DG A 8 -5.314 -13.004 13.581 1.00 0.11 H new ATOM 0 H1 DG A 8 -2.839 -10.433 18.868 1.00 0.13 H new ATOM 0 H21 DG A 8 0.232 -11.038 17.355 1.00 0.12 H new ATOM 0 H22 DG A 8 -0.649 -10.412 18.752 1.00 0.12 H new ATOM 253 P DA A 9 -0.574 -16.509 11.911 1.00 0.09 P ATOM 254 OP1 DA A 9 0.481 -17.048 11.024 1.00 1.35 O ATOM 255 OP2 DA A 9 -1.784 -17.314 12.193 1.00 1.21 O ATOM 256 O5' DA A 9 0.102 -16.106 13.313 1.00 0.10 O ATOM 257 C5' DA A 9 1.335 -15.381 13.337 1.00 0.12 C ATOM 258 C4' DA A 9 1.925 -15.334 14.739 1.00 0.15 C ATOM 259 O4' DA A 9 1.066 -14.589 15.639 1.00 0.14 O ATOM 260 C3' DA A 9 2.069 -16.738 15.294 1.00 0.17 C ATOM 261 O3' DA A 9 3.370 -16.897 15.894 1.00 0.21 O ATOM 262 C2' DA A 9 0.935 -16.861 16.282 1.00 0.15 C ATOM 263 C1' DA A 9 0.644 -15.443 16.725 1.00 0.15 C ATOM 264 N9 DA A 9 -0.792 -15.245 16.995 1.00 0.11 N ATOM 265 C8 DA A 9 -1.869 -15.609 16.256 1.00 0.08 C ATOM 266 N7 DA A 9 -3.037 -15.298 16.712 1.00 0.06 N ATOM 267 C5 DA A 9 -2.708 -14.644 17.905 1.00 0.09 C ATOM 268 C6 DA A 9 -3.485 -14.047 18.905 1.00 0.11 C ATOM 269 N6 DA A 9 -4.816 -14.009 18.869 1.00 0.12 N ATOM 270 N1 DA A 9 -2.836 -13.492 19.944 1.00 0.14 N ATOM 271 C2 DA A 9 -1.503 -13.522 20.001 1.00 0.16 C ATOM 272 N3 DA A 9 -0.673 -14.059 19.114 1.00 0.15 N ATOM 273 C4 DA A 9 -1.345 -14.607 18.082 1.00 0.12 C ATOM 0 H5' DA A 9 1.169 -14.366 12.976 1.00 0.12 H new ATOM 0 H5'' DA A 9 2.047 -15.848 12.657 1.00 0.12 H new ATOM 0 H4' DA A 9 2.898 -14.847 14.667 1.00 0.15 H new ATOM 0 H3' DA A 9 2.009 -17.523 14.540 1.00 0.17 H new ATOM 0 H2' DA A 9 0.059 -17.318 15.822 1.00 0.15 H new ATOM 0 H2'' DA A 9 1.215 -17.489 17.128 1.00 0.15 H new ATOM 0 H1' DA A 9 1.171 -15.216 17.652 1.00 0.15 H new ATOM 0 H8 DA A 9 -1.755 -16.139 15.322 1.00 0.08 H new ATOM 0 H61 DA A 9 -5.334 -13.561 19.625 1.00 0.12 H new ATOM 0 H62 DA A 9 -5.317 -14.428 18.086 1.00 0.12 H new ATOM 0 H2 DA A 9 -1.049 -13.058 20.864 1.00 0.16 H new ATOM 285 P DA A 10 3.605 -17.755 17.237 1.00 0.27 P ATOM 286 OP1 DA A 10 5.062 -17.958 17.408 1.00 1.42 O ATOM 287 OP2 DA A 10 2.695 -18.923 17.216 1.00 1.20 O ATOM 288 O5' DA A 10 3.096 -16.734 18.374 1.00 0.28 O ATOM 289 C5' DA A 10 3.977 -16.278 19.403 1.00 0.34 C ATOM 290 C4' DA A 10 3.558 -16.820 20.761 1.00 0.36 C ATOM 291 O4' DA A 10 2.217 -16.398 21.084 1.00 0.32 O ATOM 292 C3' DA A 10 3.595 -18.341 20.767 1.00 0.38 C ATOM 293 O3' DA A 10 4.580 -18.820 21.697 1.00 0.46 O ATOM 294 C2' DA A 10 2.211 -18.776 21.161 1.00 0.35 C ATOM 295 C1' DA A 10 1.442 -17.525 21.526 1.00 0.31 C ATOM 296 N9 DA A 10 0.104 -17.513 20.910 1.00 0.25 N ATOM 297 C8 DA A 10 -0.293 -17.979 19.706 1.00 0.22 C ATOM 298 N7 DA A 10 -1.538 -17.834 19.388 1.00 0.17 N ATOM 299 C5 DA A 10 -2.043 -17.189 20.522 1.00 0.16 C ATOM 300 C6 DA A 10 -3.321 -16.727 20.867 1.00 0.11 C ATOM 301 N6 DA A 10 -4.385 -16.851 20.072 1.00 0.07 N ATOM 302 N1 DA A 10 -3.461 -16.137 22.067 1.00 0.13 N ATOM 303 C2 DA A 10 -2.413 -16.007 22.883 1.00 0.19 C ATOM 304 N3 DA A 10 -1.167 -16.405 22.659 1.00 0.23 N ATOM 305 C4 DA A 10 -1.048 -16.991 21.452 1.00 0.21 C ATOM 0 H5' DA A 10 3.979 -15.188 19.428 1.00 0.34 H new ATOM 0 H5'' DA A 10 4.996 -16.594 19.180 1.00 0.34 H new ATOM 0 H4' DA A 10 4.258 -16.430 21.500 1.00 0.36 H new ATOM 0 H3' DA A 10 3.874 -18.746 19.794 1.00 0.38 H new ATOM 0 H2' DA A 10 1.724 -19.303 20.340 1.00 0.35 H new ATOM 0 H2'' DA A 10 2.249 -19.465 22.004 1.00 0.35 H new ATOM 0 H1' DA A 10 1.287 -17.486 22.604 1.00 0.31 H new ATOM 0 H8 DA A 10 0.404 -18.456 19.033 1.00 0.22 H new ATOM 0 H61 DA A 10 -5.292 -16.496 20.375 1.00 0.07 H new ATOM 0 H62 DA A 10 -4.292 -17.301 19.161 1.00 0.07 H new ATOM 0 H2 DA A 10 -2.600 -15.524 23.831 1.00 0.19 H new ATOM 317 P DG A 11 4.653 -20.379 22.110 1.00 0.51 P ATOM 318 OP1 DG A 11 6.007 -20.653 22.643 1.00 1.00 O ATOM 319 OP2 DG A 11 4.125 -21.187 20.988 1.00 1.68 O ATOM 320 O5' DG A 11 3.603 -20.464 23.331 1.00 0.51 O ATOM 321 C5' DG A 11 3.893 -19.825 24.579 1.00 0.55 C ATOM 322 C4' DG A 11 2.730 -19.937 25.563 1.00 0.54 C ATOM 323 O4' DG A 11 1.547 -19.289 25.051 1.00 0.46 O ATOM 324 C3' DG A 11 2.379 -21.392 25.839 1.00 0.57 C ATOM 325 O3' DG A 11 2.835 -21.794 27.134 1.00 0.65 O ATOM 326 C2' DG A 11 0.875 -21.473 25.743 1.00 0.52 C ATOM 327 C1' DG A 11 0.387 -20.091 25.354 1.00 0.45 C ATOM 328 N9 DG A 11 -0.530 -20.152 24.203 1.00 0.37 N ATOM 329 C8 DG A 11 -0.323 -20.658 22.971 1.00 0.36 C ATOM 330 N7 DG A 11 -1.290 -20.593 22.121 1.00 0.30 N ATOM 331 C5 DG A 11 -2.283 -19.962 22.873 1.00 0.26 C ATOM 332 C6 DG A 11 -3.603 -19.598 22.508 1.00 0.20 C ATOM 333 O6 DG A 11 -4.166 -19.762 21.429 1.00 0.18 O ATOM 334 N1 DG A 11 -4.272 -18.984 23.560 1.00 0.17 N ATOM 335 C2 DG A 11 -3.738 -18.747 24.812 1.00 0.22 C ATOM 336 N2 DG A 11 -4.536 -18.145 25.693 1.00 0.20 N ATOM 337 N3 DG A 11 -2.494 -19.087 25.163 1.00 0.29 N ATOM 338 C4 DG A 11 -1.825 -19.687 24.152 1.00 0.30 C ATOM 0 H5' DG A 11 4.120 -18.773 24.404 1.00 0.55 H new ATOM 0 H5'' DG A 11 4.784 -20.274 25.018 1.00 0.55 H new ATOM 0 H4' DG A 11 3.055 -19.450 26.482 1.00 0.54 H new ATOM 0 H3' DG A 11 2.861 -22.062 25.127 1.00 0.57 H new ATOM 0 H2' DG A 11 0.574 -22.213 25.001 1.00 0.52 H new ATOM 0 H2'' DG A 11 0.443 -21.782 26.695 1.00 0.52 H new ATOM 0 HO3' DG A 11 2.596 -22.732 27.288 1.00 0.65 H new ATOM 0 H1' DG A 11 -0.176 -19.648 26.175 1.00 0.45 H new ATOM 0 H8 DG A 11 0.624 -21.104 22.704 1.00 0.36 H new ATOM 0 H1 DG A 11 -5.233 -18.685 23.395 1.00 0.17 H new ATOM 0 H21 DG A 11 -4.197 -17.944 26.634 1.00 0.20 H new ATOM 0 H22 DG A 11 -5.486 -17.885 25.427 1.00 0.20 H new TER 351 DG A 11 ATOM 352 O5' DC B 12 -13.370 -19.105 23.879 1.00 0.30 O ATOM 353 C5' DC B 12 -13.322 -19.399 25.278 1.00 0.24 C ATOM 354 C4' DC B 12 -12.254 -18.577 25.989 1.00 0.15 C ATOM 355 O4' DC B 12 -10.925 -19.051 25.652 1.00 0.15 O ATOM 356 C3' DC B 12 -12.349 -17.111 25.588 1.00 0.15 C ATOM 357 O3' DC B 12 -12.553 -16.279 26.740 1.00 0.13 O ATOM 358 C2' DC B 12 -11.050 -16.806 24.901 1.00 0.13 C ATOM 359 C1' DC B 12 -10.107 -17.946 25.222 1.00 0.10 C ATOM 360 N1 DC B 12 -9.281 -18.307 24.044 1.00 0.13 N ATOM 361 C2 DC B 12 -7.901 -18.290 24.197 1.00 0.10 C ATOM 362 O2 DC B 12 -7.400 -17.987 25.279 1.00 0.09 O ATOM 363 N3 DC B 12 -7.128 -18.613 23.123 1.00 0.12 N ATOM 364 C4 DC B 12 -7.682 -18.939 21.947 1.00 0.18 C ATOM 365 N4 DC B 12 -6.898 -19.251 20.916 1.00 0.20 N ATOM 366 C5 DC B 12 -9.100 -18.958 21.785 1.00 0.22 C ATOM 367 C6 DC B 12 -9.857 -18.638 22.850 1.00 0.20 C ATOM 0 H5' DC B 12 -13.119 -20.460 25.420 1.00 0.24 H new ATOM 0 H5'' DC B 12 -14.295 -19.197 25.726 1.00 0.24 H new ATOM 0 H4' DC B 12 -12.424 -18.684 27.060 1.00 0.15 H new ATOM 0 H3' DC B 12 -13.197 -16.917 24.932 1.00 0.15 H new ATOM 0 H2' DC B 12 -11.194 -16.715 23.824 1.00 0.13 H new ATOM 0 H2'' DC B 12 -10.642 -15.857 25.249 1.00 0.13 H new ATOM 0 HO5' DC B 12 -14.064 -19.651 23.454 1.00 0.30 H new ATOM 0 H1' DC B 12 -9.405 -17.661 26.006 1.00 0.10 H new ATOM 0 H41 DC B 12 -7.312 -19.500 20.018 1.00 0.20 H new ATOM 0 H42 DC B 12 -5.884 -19.241 21.025 1.00 0.20 H new ATOM 0 H5 DC B 12 -9.550 -19.221 20.839 1.00 0.22 H new ATOM 0 H6 DC B 12 -10.933 -18.643 22.760 1.00 0.20 H new ATOM 380 P DT B 13 -12.367 -14.678 26.666 1.00 0.17 P ATOM 381 OP1 DT B 13 -13.178 -14.066 27.742 1.00 1.21 O ATOM 382 OP2 DT B 13 -12.555 -14.248 25.262 1.00 1.38 O ATOM 383 O5' DT B 13 -10.812 -14.504 27.043 1.00 0.15 O ATOM 384 C5' DT B 13 -10.291 -15.123 28.223 1.00 0.13 C ATOM 385 C4' DT B 13 -8.796 -14.880 28.381 1.00 0.14 C ATOM 386 O4' DT B 13 -8.048 -15.631 27.399 1.00 0.10 O ATOM 387 C3' DT B 13 -8.472 -13.406 28.204 1.00 0.19 C ATOM 388 O3' DT B 13 -7.855 -12.867 29.378 1.00 0.23 O ATOM 389 C2' DT B 13 -7.540 -13.343 27.025 1.00 0.19 C ATOM 390 C1' DT B 13 -7.116 -14.765 26.726 1.00 0.13 C ATOM 391 N1 DT B 13 -7.105 -15.027 25.272 1.00 0.10 N ATOM 392 C2 DT B 13 -5.894 -15.339 24.680 1.00 0.11 C ATOM 393 O2 DT B 13 -4.845 -15.401 25.317 1.00 0.17 O ATOM 394 N3 DT B 13 -5.933 -15.593 23.323 1.00 0.08 N ATOM 395 C4 DT B 13 -7.057 -15.568 22.518 1.00 0.05 C ATOM 396 O4 DT B 13 -6.964 -15.798 21.313 1.00 0.05 O ATOM 397 C5 DT B 13 -8.277 -15.236 23.227 1.00 0.08 C ATOM 398 C7 DT B 13 -9.598 -15.141 22.464 1.00 0.16 C ATOM 399 C6 DT B 13 -8.259 -14.977 24.550 1.00 0.09 C ATOM 0 H5' DT B 13 -10.482 -16.195 28.185 1.00 0.13 H new ATOM 0 H5'' DT B 13 -10.816 -14.737 29.097 1.00 0.13 H new ATOM 0 H4' DT B 13 -8.517 -15.204 29.384 1.00 0.14 H new ATOM 0 H3' DT B 13 -9.372 -12.813 28.040 1.00 0.19 H new ATOM 0 H2' DT B 13 -8.037 -12.898 26.163 1.00 0.19 H new ATOM 0 H2'' DT B 13 -6.674 -12.721 27.250 1.00 0.19 H new ATOM 0 H1' DT B 13 -6.100 -14.942 27.078 1.00 0.13 H new ATOM 0 H3 DT B 13 -5.047 -15.821 22.871 1.00 0.08 H new ATOM 0 H71 DT B 13 -9.404 -14.823 21.440 1.00 0.16 H new ATOM 0 H72 DT B 13 -10.084 -16.117 22.455 1.00 0.16 H new ATOM 0 H73 DT B 13 -10.249 -14.416 22.952 1.00 0.16 H new ATOM 0 H6 DT B 13 -9.182 -14.724 25.050 1.00 0.09 H new ATOM 412 P DT B 14 -7.379 -11.329 29.418 1.00 0.29 P ATOM 413 OP1 DT B 14 -7.057 -10.978 30.819 1.00 1.06 O ATOM 414 OP2 DT B 14 -8.359 -10.517 28.660 1.00 1.53 O ATOM 415 O5' DT B 14 -6.006 -11.376 28.578 1.00 0.29 O ATOM 416 C5' DT B 14 -4.873 -12.083 29.089 1.00 0.29 C ATOM 417 C4' DT B 14 -3.651 -11.928 28.191 1.00 0.30 C ATOM 418 O4' DT B 14 -3.779 -12.707 26.982 1.00 0.26 O ATOM 419 C3' DT B 14 -3.460 -10.475 27.785 1.00 0.34 C ATOM 420 O3' DT B 14 -2.354 -9.888 28.481 1.00 0.38 O ATOM 421 C2' DT B 14 -3.217 -10.501 26.296 1.00 0.30 C ATOM 422 C1' DT B 14 -3.244 -11.956 25.875 1.00 0.26 C ATOM 423 N1 DT B 14 -4.046 -12.159 24.650 1.00 0.23 N ATOM 424 C2 DT B 14 -3.375 -12.534 23.498 1.00 0.22 C ATOM 425 O2 DT B 14 -2.158 -12.700 23.470 1.00 0.22 O ATOM 426 N3 DT B 14 -4.156 -12.724 22.377 1.00 0.20 N ATOM 427 C4 DT B 14 -5.528 -12.579 22.304 1.00 0.20 C ATOM 428 O4 DT B 14 -6.117 -12.761 21.241 1.00 0.19 O ATOM 429 C5 DT B 14 -6.146 -12.192 23.553 1.00 0.21 C ATOM 430 C7 DT B 14 -7.658 -11.974 23.606 1.00 0.22 C ATOM 431 C6 DT B 14 -5.400 -11.993 24.664 1.00 0.23 C ATOM 0 H5' DT B 14 -5.119 -13.140 29.187 1.00 0.29 H new ATOM 0 H5'' DT B 14 -4.637 -11.717 30.088 1.00 0.29 H new ATOM 0 H4' DT B 14 -2.795 -12.280 28.767 1.00 0.30 H new ATOM 0 H3' DT B 14 -4.330 -9.869 28.037 1.00 0.34 H new ATOM 0 H2' DT B 14 -3.983 -9.932 25.769 1.00 0.30 H new ATOM 0 H2'' DT B 14 -2.257 -10.046 26.053 1.00 0.30 H new ATOM 0 H1' DT B 14 -2.237 -12.295 25.631 1.00 0.26 H new ATOM 0 H3 DT B 14 -3.675 -12.998 21.520 1.00 0.20 H new ATOM 0 H71 DT B 14 -8.026 -12.215 24.603 1.00 0.22 H new ATOM 0 H72 DT B 14 -7.884 -10.932 23.378 1.00 0.22 H new ATOM 0 H73 DT B 14 -8.144 -12.619 22.874 1.00 0.22 H new ATOM 0 H6 DT B 14 -5.887 -11.696 25.581 1.00 0.23 H new ATOM 444 P DC B 15 -1.863 -8.395 28.129 1.00 0.41 P ATOM 445 OP1 DC B 15 -0.916 -7.958 29.178 1.00 1.70 O ATOM 446 OP2 DC B 15 -3.054 -7.573 27.819 1.00 0.89 O ATOM 447 O5' DC B 15 -1.038 -8.624 26.766 1.00 0.35 O ATOM 448 C5' DC B 15 0.123 -9.460 26.754 1.00 0.33 C ATOM 449 C4' DC B 15 0.803 -9.463 25.389 1.00 0.28 C ATOM 450 O4' DC B 15 -0.018 -10.111 24.380 1.00 0.24 O ATOM 451 C3' DC B 15 1.073 -8.039 24.918 1.00 0.26 C ATOM 452 O3' DC B 15 2.451 -7.875 24.567 1.00 0.25 O ATOM 453 C2' DC B 15 0.165 -7.854 23.728 1.00 0.23 C ATOM 454 C1' DC B 15 -0.116 -9.251 23.225 1.00 0.22 C ATOM 455 N1 DC B 15 -1.453 -9.333 22.598 1.00 0.21 N ATOM 456 C2 DC B 15 -1.532 -9.780 21.284 1.00 0.18 C ATOM 457 O2 DC B 15 -0.513 -10.096 20.670 1.00 0.16 O ATOM 458 N3 DC B 15 -2.761 -9.853 20.702 1.00 0.17 N ATOM 459 C4 DC B 15 -3.865 -9.505 21.377 1.00 0.20 C ATOM 460 N4 DC B 15 -5.054 -9.589 20.780 1.00 0.20 N ATOM 461 C5 DC B 15 -3.786 -9.045 22.727 1.00 0.23 C ATOM 462 C6 DC B 15 -2.567 -8.976 23.295 1.00 0.23 C ATOM 0 H5' DC B 15 -0.159 -10.478 27.022 1.00 0.33 H new ATOM 0 H5'' DC B 15 0.828 -9.115 27.511 1.00 0.33 H new ATOM 0 H4' DC B 15 1.737 -10.012 25.510 1.00 0.28 H new ATOM 0 H3' DC B 15 0.877 -7.296 25.691 1.00 0.26 H new ATOM 0 H2' DC B 15 -0.756 -7.344 24.011 1.00 0.23 H new ATOM 0 H2'' DC B 15 0.642 -7.247 22.959 1.00 0.23 H new ATOM 0 H1' DC B 15 0.593 -9.549 22.452 1.00 0.22 H new ATOM 0 H41 DC B 15 -5.899 -9.326 21.287 1.00 0.20 H new ATOM 0 H42 DC B 15 -5.119 -9.916 19.816 1.00 0.20 H new ATOM 0 H5 DC B 15 -4.674 -8.762 23.273 1.00 0.23 H new ATOM 0 H6 DC B 15 -2.472 -8.634 24.315 1.00 0.23 H new ATOM 474 P DT B 16 2.997 -6.475 23.993 1.00 0.22 P ATOM 475 OP1 DT B 16 4.442 -6.380 24.297 1.00 1.51 O ATOM 476 OP2 DT B 16 2.078 -5.399 24.429 1.00 1.06 O ATOM 477 O5' DT B 16 2.822 -6.673 22.408 1.00 0.18 O ATOM 478 C5' DT B 16 3.657 -7.591 21.697 1.00 0.16 C ATOM 479 C4' DT B 16 3.519 -7.411 20.193 1.00 0.12 C ATOM 480 O4' DT B 16 2.218 -7.846 19.734 1.00 0.11 O ATOM 481 C3' DT B 16 3.690 -5.950 19.820 1.00 0.10 C ATOM 482 O3' DT B 16 4.799 -5.770 18.932 1.00 0.09 O ATOM 483 C2' DT B 16 2.393 -5.548 19.160 1.00 0.10 C ATOM 484 C1' DT B 16 1.655 -6.842 18.870 1.00 0.10 C ATOM 485 N1 DT B 16 0.198 -6.694 19.090 1.00 0.13 N ATOM 486 C2 DT B 16 -0.642 -6.977 18.023 1.00 0.12 C ATOM 487 O2 DT B 16 -0.216 -7.337 16.927 1.00 0.10 O ATOM 488 N3 DT B 16 -1.994 -6.821 18.257 1.00 0.15 N ATOM 489 C4 DT B 16 -2.574 -6.410 19.441 1.00 0.18 C ATOM 490 O4 DT B 16 -3.797 -6.324 19.538 1.00 0.21 O ATOM 491 C5 DT B 16 -1.623 -6.132 20.497 1.00 0.19 C ATOM 492 C7 DT B 16 -2.126 -5.690 21.866 1.00 0.22 C ATOM 493 C6 DT B 16 -0.298 -6.282 20.299 1.00 0.16 C ATOM 0 H5' DT B 16 3.392 -8.613 21.969 1.00 0.16 H new ATOM 0 H5'' DT B 16 4.696 -7.442 21.990 1.00 0.16 H new ATOM 0 H4' DT B 16 4.293 -8.015 19.720 1.00 0.12 H new ATOM 0 H3' DT B 16 3.903 -5.335 20.694 1.00 0.10 H new ATOM 0 H2' DT B 16 1.806 -4.902 19.813 1.00 0.10 H new ATOM 0 H2'' DT B 16 2.578 -4.990 18.242 1.00 0.10 H new ATOM 0 H1' DT B 16 1.773 -7.126 17.824 1.00 0.10 H new ATOM 0 H3 DT B 16 -2.624 -7.029 17.482 1.00 0.15 H new ATOM 0 H71 DT B 16 -1.430 -6.025 22.635 1.00 0.22 H new ATOM 0 H72 DT B 16 -2.200 -4.603 21.893 1.00 0.22 H new ATOM 0 H73 DT B 16 -3.108 -6.125 22.051 1.00 0.22 H new ATOM 0 H6 DT B 16 0.386 -6.073 21.109 1.00 0.16 H new ATOM 506 P DT B 17 5.422 -4.304 18.687 1.00 0.09 P ATOM 507 OP1 DT B 17 6.897 -4.424 18.668 1.00 1.32 O ATOM 508 OP2 DT B 17 4.773 -3.357 19.622 1.00 1.25 O ATOM 509 O5' DT B 17 4.921 -3.955 17.197 1.00 0.10 O ATOM 510 C5' DT B 17 5.769 -4.195 16.071 1.00 0.08 C ATOM 511 C4' DT B 17 5.179 -3.622 14.787 1.00 0.09 C ATOM 512 O4' DT B 17 3.928 -4.266 14.458 1.00 0.12 O ATOM 513 C3' DT B 17 4.916 -2.124 14.923 1.00 0.10 C ATOM 514 O3' DT B 17 5.726 -1.385 13.998 1.00 0.10 O ATOM 515 C2' DT B 17 3.444 -1.948 14.621 1.00 0.12 C ATOM 516 C1' DT B 17 2.979 -3.272 14.034 1.00 0.13 C ATOM 517 N1 DT B 17 1.593 -3.652 14.430 1.00 0.15 N ATOM 518 C2 DT B 17 0.834 -4.313 13.475 1.00 0.17 C ATOM 519 O2 DT B 17 1.269 -4.566 12.352 1.00 0.17 O ATOM 520 N3 DT B 17 -0.446 -4.671 13.852 1.00 0.19 N ATOM 521 C4 DT B 17 -1.033 -4.428 15.080 1.00 0.20 C ATOM 522 O4 DT B 17 -2.180 -4.804 15.312 1.00 0.22 O ATOM 523 C5 DT B 17 -0.177 -3.732 16.012 1.00 0.18 C ATOM 524 C7 DT B 17 -0.696 -3.419 17.412 1.00 0.20 C ATOM 525 C6 DT B 17 1.081 -3.375 15.673 1.00 0.16 C ATOM 0 H5' DT B 17 5.923 -5.268 15.954 1.00 0.08 H new ATOM 0 H5'' DT B 17 6.748 -3.751 16.252 1.00 0.08 H new ATOM 0 H4' DT B 17 5.909 -3.801 13.998 1.00 0.09 H new ATOM 0 H3' DT B 17 5.167 -1.752 15.916 1.00 0.10 H new ATOM 0 H2' DT B 17 2.886 -1.704 15.525 1.00 0.12 H new ATOM 0 H2'' DT B 17 3.284 -1.131 13.917 1.00 0.12 H new ATOM 0 H1' DT B 17 2.938 -3.185 12.948 1.00 0.13 H new ATOM 0 H3 DT B 17 -1.011 -5.161 13.159 1.00 0.19 H new ATOM 0 H71 DT B 17 -1.777 -3.284 17.378 1.00 0.20 H new ATOM 0 H72 DT B 17 -0.455 -4.244 18.082 1.00 0.20 H new ATOM 0 H73 DT B 17 -0.228 -2.505 17.778 1.00 0.20 H new ATOM 0 H6 DT B 17 1.697 -2.861 16.396 1.00 0.16 H new ATOM 538 P DG B 18 5.746 0.229 14.003 1.00 0.10 P ATOM 539 OP1 DG B 18 7.016 0.677 13.390 1.00 1.20 O ATOM 540 OP2 DG B 18 5.376 0.697 15.358 1.00 1.36 O ATOM 541 O5' DG B 18 4.545 0.602 12.996 1.00 0.11 O ATOM 542 C5' DG B 18 4.404 -0.087 11.749 1.00 0.11 C ATOM 543 C4' DG B 18 3.511 0.674 10.777 1.00 0.11 C ATOM 544 O4' DG B 18 2.195 0.874 11.347 1.00 0.10 O ATOM 545 C3' DG B 18 4.092 2.038 10.458 1.00 0.11 C ATOM 546 O3' DG B 18 4.009 2.288 9.037 1.00 0.11 O ATOM 547 C2' DG B 18 3.250 2.981 11.269 1.00 0.11 C ATOM 548 C1' DG B 18 1.914 2.284 11.412 1.00 0.11 C ATOM 549 N9 DG B 18 1.248 2.623 12.687 1.00 0.11 N ATOM 550 C8 DG B 18 1.783 3.019 13.869 1.00 0.10 C ATOM 551 N7 DG B 18 0.971 3.243 14.849 1.00 0.10 N ATOM 552 C5 DG B 18 -0.268 2.965 14.263 1.00 0.11 C ATOM 553 C6 DG B 18 -1.573 3.018 14.823 1.00 0.11 C ATOM 554 O6 DG B 18 -1.904 3.329 15.965 1.00 0.11 O ATOM 555 N1 DG B 18 -2.539 2.658 13.895 1.00 0.12 N ATOM 556 C2 DG B 18 -2.292 2.292 12.587 1.00 0.12 C ATOM 557 N2 DG B 18 -3.357 1.980 11.848 1.00 0.12 N ATOM 558 N3 DG B 18 -1.068 2.238 12.052 1.00 0.11 N ATOM 559 C4 DG B 18 -0.107 2.584 12.939 1.00 0.11 C ATOM 0 H5' DG B 18 3.985 -1.078 11.927 1.00 0.11 H new ATOM 0 H5'' DG B 18 5.387 -0.232 11.301 1.00 0.11 H new ATOM 0 H4' DG B 18 3.444 0.078 9.867 1.00 0.11 H new ATOM 0 H3' DG B 18 5.149 2.142 10.704 1.00 0.11 H new ATOM 0 H2' DG B 18 3.700 3.176 12.242 1.00 0.11 H new ATOM 0 H2'' DG B 18 3.142 3.944 10.769 1.00 0.11 H new ATOM 0 H1' DG B 18 1.230 2.600 10.624 1.00 0.11 H new ATOM 0 H8 DG B 18 2.849 3.143 13.987 1.00 0.10 H new ATOM 0 H1 DG B 18 -3.511 2.664 14.204 1.00 0.12 H new ATOM 0 H21 DG B 18 -3.238 1.702 10.874 1.00 0.12 H new ATOM 0 H22 DG B 18 -4.291 2.020 12.257 1.00 0.12 H new ATOM 571 P DT B 19 3.722 3.752 8.409 1.00 0.10 P ATOM 572 OP1 DT B 19 4.313 3.793 7.052 1.00 1.38 O ATOM 573 OP2 DT B 19 4.098 4.780 9.405 1.00 1.18 O ATOM 574 O5' DT B 19 2.117 3.758 8.257 1.00 0.08 O ATOM 575 C5' DT B 19 1.461 2.789 7.429 1.00 0.07 C ATOM 576 C4' DT B 19 -0.018 3.118 7.228 1.00 0.06 C ATOM 577 O4' DT B 19 -0.703 3.205 8.503 1.00 0.06 O ATOM 578 C3' DT B 19 -0.192 4.457 6.518 1.00 0.07 C ATOM 579 O3' DT B 19 -1.145 4.344 5.452 1.00 0.06 O ATOM 580 C2' DT B 19 -0.679 5.391 7.593 1.00 0.08 C ATOM 581 C1' DT B 19 -1.346 4.493 8.619 1.00 0.07 C ATOM 582 N1 DT B 19 -1.219 5.018 9.999 1.00 0.08 N ATOM 583 C2 DT B 19 -2.344 4.986 10.806 1.00 0.08 C ATOM 584 O2 DT B 19 -3.428 4.563 10.411 1.00 0.08 O ATOM 585 N3 DT B 19 -2.180 5.466 12.091 1.00 0.09 N ATOM 586 C4 DT B 19 -1.013 5.970 12.632 1.00 0.10 C ATOM 587 O4 DT B 19 -0.982 6.359 13.797 1.00 0.11 O ATOM 588 C5 DT B 19 0.104 5.970 11.715 1.00 0.11 C ATOM 589 C7 DT B 19 1.463 6.479 12.183 1.00 0.12 C ATOM 590 C6 DT B 19 -0.029 5.502 10.460 1.00 0.10 C ATOM 0 H5' DT B 19 1.555 1.802 7.882 1.00 0.07 H new ATOM 0 H5'' DT B 19 1.958 2.744 6.460 1.00 0.07 H new ATOM 0 H4' DT B 19 -0.441 2.316 6.623 1.00 0.06 H new ATOM 0 H3' DT B 19 0.730 4.811 6.057 1.00 0.07 H new ATOM 0 H2' DT B 19 0.146 5.950 8.034 1.00 0.08 H new ATOM 0 H2'' DT B 19 -1.381 6.122 7.192 1.00 0.08 H new ATOM 0 H1' DT B 19 -2.417 4.433 8.426 1.00 0.07 H new ATOM 0 H3 DT B 19 -2.999 5.446 12.699 1.00 0.09 H new ATOM 0 H71 DT B 19 2.253 5.957 11.642 1.00 0.12 H new ATOM 0 H72 DT B 19 1.537 7.549 11.990 1.00 0.12 H new ATOM 0 H73 DT B 19 1.572 6.295 13.252 1.00 0.12 H new ATOM 0 H6 DT B 19 0.827 5.510 9.802 1.00 0.10 H new ATOM 603 P DC B 20 -1.524 5.615 4.534 1.00 0.00 P ATOM 604 OP1 DC B 20 -1.591 5.164 3.126 1.00 1.27 O ATOM 605 OP2 DC B 20 -0.641 6.743 4.906 1.00 1.29 O ATOM 606 O5' DC B 20 -3.018 5.963 5.025 1.00 0.06 O ATOM 607 C5' DC B 20 -4.109 5.094 4.705 1.00 0.10 C ATOM 608 C4' DC B 20 -5.406 5.552 5.360 1.00 0.16 C ATOM 609 O4' DC B 20 -5.210 5.773 6.780 1.00 0.18 O ATOM 610 C3' DC B 20 -5.870 6.865 4.751 1.00 0.19 C ATOM 611 O3' DC B 20 -7.291 6.858 4.545 1.00 0.26 O ATOM 612 C2' DC B 20 -5.471 7.887 5.767 1.00 0.19 C ATOM 613 C1' DC B 20 -5.504 7.151 7.087 1.00 0.19 C ATOM 614 N1 DC B 20 -4.531 7.706 8.053 1.00 0.16 N ATOM 615 C2 DC B 20 -5.029 8.178 9.260 1.00 0.20 C ATOM 616 O2 DC B 20 -6.237 8.135 9.490 1.00 0.25 O ATOM 617 N3 DC B 20 -4.149 8.684 10.167 1.00 0.18 N ATOM 618 C4 DC B 20 -2.837 8.728 9.904 1.00 0.12 C ATOM 619 N4 DC B 20 -2.003 9.232 10.815 1.00 0.11 N ATOM 620 C5 DC B 20 -2.319 8.243 8.661 1.00 0.09 C ATOM 621 C6 DC B 20 -3.197 7.743 7.770 1.00 0.11 C ATOM 0 H5' DC B 20 -3.875 4.081 5.031 1.00 0.10 H new ATOM 0 H5'' DC B 20 -4.240 5.058 3.624 1.00 0.10 H new ATOM 0 H4' DC B 20 -6.149 4.771 5.198 1.00 0.16 H new ATOM 0 H3' DC B 20 -5.433 7.059 3.771 1.00 0.19 H new ATOM 0 H2' DC B 20 -4.477 8.284 5.560 1.00 0.19 H new ATOM 0 H2'' DC B 20 -6.158 8.733 5.768 1.00 0.19 H new ATOM 0 H1' DC B 20 -6.478 7.254 7.565 1.00 0.19 H new ATOM 0 H41 DC B 20 -1.002 9.270 10.624 1.00 0.11 H new ATOM 0 H42 DC B 20 -2.367 9.579 11.702 1.00 0.11 H new ATOM 0 H5 DC B 20 -1.261 8.277 8.445 1.00 0.09 H new ATOM 0 H6 DC B 20 -2.841 7.368 6.822 1.00 0.11 H new ATOM 633 P DC B 21 -8.057 8.141 3.934 1.00 0.32 P ATOM 634 OP1 DC B 21 -9.112 7.655 3.017 1.00 1.11 O ATOM 635 OP2 DC B 21 -7.042 9.101 3.444 1.00 1.50 O ATOM 636 O5' DC B 21 -8.769 8.780 5.232 1.00 0.35 O ATOM 637 C5' DC B 21 -9.891 8.133 5.846 1.00 0.37 C ATOM 638 C4' DC B 21 -10.609 9.059 6.828 1.00 0.36 C ATOM 639 O4' DC B 21 -9.747 9.376 7.943 1.00 0.34 O ATOM 640 C3' DC B 21 -10.998 10.367 6.153 1.00 0.36 C ATOM 641 O3' DC B 21 -12.353 10.719 6.464 1.00 0.35 O ATOM 642 C2' DC B 21 -10.023 11.373 6.701 1.00 0.35 C ATOM 643 C1' DC B 21 -9.574 10.803 8.035 1.00 0.33 C ATOM 644 N1 DC B 21 -8.153 11.108 8.299 1.00 0.30 N ATOM 645 C2 DC B 21 -7.799 11.604 9.549 1.00 0.27 C ATOM 646 O2 DC B 21 -8.654 11.802 10.410 1.00 0.28 O ATOM 647 N3 DC B 21 -6.481 11.858 9.786 1.00 0.23 N ATOM 648 C4 DC B 21 -5.555 11.636 8.843 1.00 0.22 C ATOM 649 N4 DC B 21 -4.274 11.897 9.105 1.00 0.18 N ATOM 650 C5 DC B 21 -5.921 11.126 7.560 1.00 0.25 C ATOM 651 C6 DC B 21 -7.222 10.879 7.335 1.00 0.29 C ATOM 0 H5' DC B 21 -9.554 7.238 6.369 1.00 0.37 H new ATOM 0 H5'' DC B 21 -10.590 7.807 5.076 1.00 0.37 H new ATOM 0 H4' DC B 21 -11.502 8.538 7.174 1.00 0.36 H new ATOM 0 H3' DC B 21 -10.954 10.309 5.065 1.00 0.36 H new ATOM 0 H2' DC B 21 -9.178 11.511 6.027 1.00 0.35 H new ATOM 0 H2'' DC B 21 -10.492 12.349 6.827 1.00 0.35 H new ATOM 0 H1' DC B 21 -10.155 11.238 8.848 1.00 0.33 H new ATOM 0 H41 DC B 21 -3.564 11.731 8.392 1.00 0.18 H new ATOM 0 H42 DC B 21 -4.005 12.263 10.018 1.00 0.18 H new ATOM 0 H5 DC B 21 -5.178 10.945 6.798 1.00 0.25 H new ATOM 0 H6 DC B 21 -7.533 10.493 6.375 1.00 0.29 H new ATOM 663 P DG B 22 -12.982 12.113 5.959 1.00 0.34 P ATOM 664 OP1 DG B 22 -14.457 11.994 5.988 1.00 1.59 O ATOM 665 OP2 DG B 22 -12.299 12.510 4.707 1.00 0.91 O ATOM 666 O5' DG B 22 -12.535 13.131 7.123 1.00 0.47 O ATOM 667 C5' DG B 22 -13.081 13.004 8.439 1.00 0.36 C ATOM 668 C4' DG B 22 -12.678 14.168 9.337 1.00 0.55 C ATOM 669 O4' DG B 22 -11.317 14.015 9.794 1.00 0.49 O ATOM 670 C3' DG B 22 -12.780 15.491 8.589 1.00 0.74 C ATOM 671 O3' DG B 22 -13.614 16.414 9.296 1.00 0.99 O ATOM 672 C2' DG B 22 -11.366 15.994 8.511 1.00 0.65 C ATOM 673 C1' DG B 22 -10.617 15.250 9.595 1.00 0.56 C ATOM 674 N9 DG B 22 -9.221 15.022 9.207 1.00 0.48 N ATOM 675 C8 DG B 22 -8.728 14.614 8.023 1.00 0.50 C ATOM 676 N7 DG B 22 -7.447 14.487 7.915 1.00 0.42 N ATOM 677 C5 DG B 22 -7.020 14.857 9.195 1.00 0.33 C ATOM 678 C6 DG B 22 -5.708 14.930 9.733 1.00 0.23 C ATOM 679 O6 DG B 22 -4.640 14.677 9.179 1.00 0.23 O ATOM 680 N1 DG B 22 -5.723 15.347 11.059 1.00 0.15 N ATOM 681 C2 DG B 22 -6.858 15.657 11.782 1.00 0.21 C ATOM 682 N2 DG B 22 -6.669 16.040 13.045 1.00 0.18 N ATOM 683 N3 DG B 22 -8.095 15.591 11.283 1.00 0.32 N ATOM 684 C4 DG B 22 -8.104 15.187 9.993 1.00 0.36 C ATOM 0 H5' DG B 22 -12.742 12.068 8.884 1.00 0.36 H new ATOM 0 H5'' DG B 22 -14.168 12.952 8.378 1.00 0.36 H new ATOM 0 H4' DG B 22 -13.359 14.169 10.188 1.00 0.55 H new ATOM 0 H3' DG B 22 -13.229 15.373 7.603 1.00 0.74 H new ATOM 0 H2' DG B 22 -10.933 15.800 7.530 1.00 0.65 H new ATOM 0 H2'' DG B 22 -11.322 17.071 8.671 1.00 0.65 H new ATOM 0 HO3' DG B 22 -13.664 17.257 8.799 1.00 0.99 H new ATOM 0 H1' DG B 22 -10.582 15.827 10.519 1.00 0.56 H new ATOM 0 H8 DG B 22 -9.382 14.400 7.191 1.00 0.50 H new ATOM 0 H1 DG B 22 -4.825 15.431 11.535 1.00 0.15 H new ATOM 0 H21 DG B 22 -7.469 16.282 13.630 1.00 0.18 H new ATOM 0 H22 DG B 22 -5.724 16.091 13.427 1.00 0.18 H new TER 697 DG B 22 HETATM 698 C4C TBT A 25 -5.864 -3.613 16.694 1.00 0.18 C HETATM 699 C9C TBT A 25 -6.706 -4.459 17.688 1.00 0.19 C HETATM 700 O3 TBT A 25 -8.094 -4.186 17.485 1.00 0.20 O HETATM 701 C8B TBT A 25 -6.348 -4.222 19.158 1.00 0.19 C HETATM 702 O2 TBT A 25 -7.302 -4.866 20.006 1.00 0.20 O HETATM 703 C3B TBT A 25 -6.306 -2.736 19.453 1.00 0.18 C HETATM 704 O1 TBT A 25 -6.142 -2.491 20.853 1.00 0.18 O HETATM 705 C3A TBT A 25 -5.140 -2.179 18.694 1.00 0.17 C HETATM 706 C2A TBT A 25 -1.146 0.659 18.405 1.00 0.15 C HETATM 707 C4A TBT A 25 -4.933 -2.609 17.364 1.00 0.17 C HETATM 708 C1A TBT A 25 -2.249 0.171 19.141 1.00 0.16 C HETATM 709 C5A TBT A 25 -3.840 -2.106 16.625 1.00 0.17 C HETATM 710 C4B TBT A 25 -2.945 -1.178 17.209 1.00 0.16 C HETATM 711 C6A TBT A 25 0.173 0.714 16.348 1.00 0.15 C HETATM 712 C7A TBT A 25 0.391 0.285 15.022 1.00 0.15 C HETATM 713 C8A TBT A 25 -0.497 -0.627 14.413 1.00 0.15 C HETATM 714 C5B TBT A 25 -0.938 0.233 17.073 1.00 0.15 C HETATM 715 C9B TBT A 25 -1.837 -0.685 16.468 1.00 0.16 C HETATM 716 C11 TBT A 25 -3.149 -0.748 18.547 1.00 0.16 C HETATM 717 C9A TBT A 25 -1.610 -1.114 15.132 1.00 0.16 C HETATM 718 C10 TBT A 25 -4.246 -1.245 19.291 1.00 0.17 C HETATM 0 H4C1 TBT A 25 -6.539 -3.077 16.027 1.00 0.18 H new HETATM 0 HO2 TBT A 25 -7.419 -4.341 20.825 1.00 0.20 H new HETATM 0 H9C TBT A 25 -6.477 -5.504 17.479 1.00 0.19 H new HETATM 0 H9A TBT A 25 -2.296 -1.819 14.662 1.00 0.16 H new HETATM 0 H8B TBT A 25 -5.363 -4.645 19.352 1.00 0.19 H new HETATM 0 H8A TBT A 25 -0.324 -0.955 13.388 1.00 0.15 H new HETATM 0 H7A TBT A 25 1.250 0.660 14.465 1.00 0.15 H new HETATM 0 H6A TBT A 25 0.863 1.418 16.813 1.00 0.15 H new HETATM 0 H5A TBT A 25 -3.684 -2.435 15.597 1.00 0.17 H new HETATM 0 H3B TBT A 25 -7.241 -2.263 19.153 1.00 0.18 H new HETATM 0 H3 TBT A 25 -8.383 -4.577 16.634 1.00 0.20 H new HETATM 0 H2A TBT A 25 -0.454 1.365 18.865 1.00 0.15 H new HETATM 0 H1A TBT A 25 -2.408 0.502 20.167 1.00 0.16 H new HETATM 0 H10 TBT A 25 -4.406 -0.914 20.317 1.00 0.17 H new HETATM 0 H1 TBT A 25 -6.276 -1.538 21.036 1.00 0.18 H new CONECT 173 698 CONECT 698 173 699 707 719 CONECT 699 698 700 701 720 CONECT 700 699 721 CONECT 701 699 702 703 722 CONECT 702 701 723 CONECT 703 701 704 705 724 CONECT 704 703 725 CONECT 705 703 707 718 CONECT 706 708 714 726 CONECT 707 698 705 709 CONECT 708 706 716 727 CONECT 709 707 710 728 CONECT 710 709 715 716 CONECT 711 712 714 729 CONECT 712 711 713 730 CONECT 713 712 717 731 CONECT 714 706 711 715 CONECT 715 710 714 717 CONECT 716 708 710 718 CONECT 717 713 715 732 CONECT 718 705 716 733 CONECT 719 698 CONECT 720 699 CONECT 721 700 CONECT 722 701 CONECT 723 702 CONECT 724 703 CONECT 725 704 CONECT 726 706 CONECT 727 708 CONECT 728 709 CONECT 729 711 CONECT 730 712 CONECT 731 713 CONECT 732 717 CONECT 733 718 END