USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 hydrogens (15 hets) HEADER DNA 08-DEC-99 1DL4 TITLE THE SOLUTION STRUCTURE OF A BAY-REGION 1S-BENZ[A]ANTHRACENE TITLE 2 OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN TITLE 3 OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 TITLE 4 SEQUENCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)- COMPND 3 3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: BENZ[A]ANTHRACENE-MODIFIED ADENINE-6; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHESIZED BY CHEMICAL SOURCE 4 METHOD; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHESIZED BY CHEMICAL SOURCE 8 METHOD 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 4 24-FEB-09 1DL4 1 VERSN REVDAT 3 01-APR-03 1DL4 1 JRNL REVDAT 2 18-FEB-00 1DL4 1 REMARK HET LINK REVDAT 1 12-JAN-00 1DL4 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 INTERCALATION OF THE JRNL TITL 2 (1S,2R,3S,4R)-N6-[1-(1,2,3,4-TETRAHYDRO-2,3, JRNL TITL 3 4-TRIHYDROXYBENZ[A]ANTHRACENYL)]-2'-DEOXYADENOSYL JRNL TITL 4 ADDUCT IN AN OLIGODEOXYNUCLEOTIDE CONTAINING THE JRNL TITL 5 HUMAN N-RAS CODON 61 SEQUENCE. JRNL REF BIOCHEMISTRY V. 38 16045 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10587427 JRNL DOI 10.1021/BI9903650 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CORMA 5.2 REMARK 3 AUTHORS : BORGIAS, B.A., THOMAS, P.D., LI, H., KUMAR, A., REMARK 3 AND TONELLI, M. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 477 NOE-DERIVED DISTANCE CONSTRAINTS, 80 EMPIRICAL SUGAR REMARK 3 PUCKER RESTRAINTS, 32 BACKBONE ANGLE DIHEDRAL RESTRAINTS, AND REMARK 3 18 EMPIRICAL PLANARITY RESTRAINTS. REMARK 4 REMARK 4 1DL4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-DEC-99. REMARK 100 THE RCSB ID CODE IS RCSB010175. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 283; 298 REMARK 210 PH : 7.0; 7.0; 7.0 REMARK 210 IONIC STRENGTH : 0.1 M NACL; 0.1 M NACL; 0.1 M REMARK 210 NACL REMARK 210 PRESSURE : 1 ATM; 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 1.7 MM OLIGODEOXYNUCLEOTIDE; REMARK 210 10 MM PHOSPHATE BUFFER; 0.05 REMARK 210 MM EDTA; 0.1 M NACL; 1.7 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, 2D ROESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX 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-RESTRAINTED MOLECULAR REMARK 210 DYNAMICS /SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 7 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR 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. = 2.1 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 4.1 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 7 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 8 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA A 9 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 9 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA A 10 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DT B 13 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT B 16 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC B 21 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 22 O4' - C1' - N9 ANGL. DEV. = 1.9 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA A 6 0.06 SIDE_CHAIN 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 BZA A 12 DBREF 1DL4 A 1 11 PDB 1DL4 1DL4 1 11 DBREF 1DL4 B 12 22 PDB 1DL4 1DL4 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 BZA A 12 36 HETNAM BZA 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL FORMUL 3 BZA C18 H16 O3 LINK C4C BZA A 12 N6 DA A 6 1555 1555 1.34 SITE *** AC1 6 DC A 5 DA A 6 DA A 7 DT B 16 SITE *** AC1 6 DT B 17 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 12 BZA C4C :(H bumps) USER MOD NoAdj-H: A 12 BZAH4C1 : A 12 BZA C4C : A 6 DA N6 :(H bumps) 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 12 BZA O1 : rot 160:sc= 0 USER MOD Single : A 12 BZA O2 : rot 41:sc= -0.191 USER MOD Single : A 12 BZA O3 : rot 180:sc= -0.0136 USER MOD Single : B 12 DC O5' : rot 180:sc= -0.612 USER MOD Single : B 13 DT C7 :methyl 150:sc= -3.21! (180deg=-3.21!) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.713 (180deg=-0.912) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.791 (180deg=-0.791) USER MOD Single : B 17 DT C7 :methyl 150:sc= -0.24 (180deg=-0.24) 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 -0.469 12.120 -17.703 1.00 0.39 O ATOM 2 C5' DC A 1 -0.763 11.664 -19.027 1.00 0.41 C ATOM 3 C4' DC A 1 -0.669 10.146 -19.132 1.00 0.41 C ATOM 4 O4' DC A 1 0.668 9.686 -18.813 1.00 0.37 O ATOM 5 C3' DC A 1 -1.625 9.471 -18.158 1.00 0.39 C ATOM 6 O3' DC A 1 -2.387 8.442 -18.795 1.00 0.46 O ATOM 7 C2' DC A 1 -0.748 8.924 -17.087 1.00 0.32 C ATOM 8 C1' DC A 1 0.599 8.723 -17.737 1.00 0.31 C ATOM 9 N1 DC A 1 1.692 8.954 -16.767 1.00 0.25 N ATOM 10 C2 DC A 1 2.658 7.966 -16.627 1.00 0.28 C ATOM 11 O2 DC A 1 2.595 6.934 -17.292 1.00 0.36 O ATOM 12 N3 DC A 1 3.667 8.176 -15.739 1.00 0.27 N ATOM 13 C4 DC A 1 3.730 9.304 -15.017 1.00 0.26 C ATOM 14 N4 DC A 1 4.733 9.475 -14.156 1.00 0.30 N ATOM 15 C5 DC A 1 2.740 10.322 -15.158 1.00 0.24 C ATOM 16 C6 DC A 1 1.745 10.109 -16.038 1.00 0.23 C ATOM 0 H5' DC A 1 -0.069 12.122 -19.732 1.00 0.41 H new ATOM 0 H5'' DC A 1 -1.765 11.987 -19.310 1.00 0.41 H new ATOM 0 H4' DC A 1 -0.926 9.886 -20.159 1.00 0.41 H new ATOM 0 H3' DC A 1 -2.365 10.167 -17.763 1.00 0.39 H new ATOM 0 H2' DC A 1 -0.679 9.613 -16.245 1.00 0.32 H new ATOM 0 H2'' DC A 1 -1.141 7.984 -16.699 1.00 0.32 H new ATOM 0 HO5' DC A 1 -0.537 13.097 -17.671 1.00 0.39 H new ATOM 0 H1' DC A 1 0.712 7.702 -18.102 1.00 0.31 H new ATOM 0 H41 DC A 1 4.790 10.330 -13.602 1.00 0.30 H new ATOM 0 H42 DC A 1 5.444 8.751 -14.051 1.00 0.30 H new ATOM 0 H5 DC A 1 2.788 11.232 -14.578 1.00 0.24 H new ATOM 0 H6 DC A 1 0.979 10.859 -16.170 1.00 0.23 H new ATOM 29 P DG A 2 -3.438 7.566 -17.947 1.00 0.45 P ATOM 30 OP1 DG A 2 -4.470 7.051 -18.876 1.00 0.55 O ATOM 31 OP2 DG A 2 -3.841 8.344 -16.753 1.00 0.46 O ATOM 32 O5' DG A 2 -2.530 6.330 -17.461 1.00 0.42 O ATOM 33 C5' DG A 2 -2.333 5.213 -18.326 1.00 0.42 C ATOM 34 C4' DG A 2 -1.318 4.225 -17.780 1.00 0.37 C ATOM 35 O4' DG A 2 -0.138 4.897 -17.261 1.00 0.33 O ATOM 36 C3' DG A 2 -1.904 3.393 -16.641 1.00 0.38 C ATOM 37 O3' DG A 2 -1.725 1.990 -16.894 1.00 0.39 O ATOM 38 C2' DG A 2 -1.148 3.837 -15.426 1.00 0.34 C ATOM 39 C1' DG A 2 0.164 4.346 -15.963 1.00 0.30 C ATOM 40 N9 DG A 2 0.775 5.339 -15.058 1.00 0.27 N ATOM 41 C8 DG A 2 0.284 6.510 -14.581 1.00 0.28 C ATOM 42 N7 DG A 2 1.044 7.198 -13.792 1.00 0.27 N ATOM 43 C5 DG A 2 2.188 6.394 -13.726 1.00 0.26 C ATOM 44 C6 DG A 2 3.404 6.592 -13.015 1.00 0.28 C ATOM 45 O6 DG A 2 3.720 7.529 -12.287 1.00 0.31 O ATOM 46 N1 DG A 2 4.292 5.543 -13.222 1.00 0.31 N ATOM 47 C2 DG A 2 4.047 4.439 -14.012 1.00 0.31 C ATOM 48 N2 DG A 2 5.026 3.537 -14.086 1.00 0.37 N ATOM 49 N3 DG A 2 2.910 4.246 -14.682 1.00 0.29 N ATOM 50 C4 DG A 2 2.028 5.255 -14.497 1.00 0.26 C ATOM 0 H5' DG A 2 -2.001 5.568 -19.302 1.00 0.42 H new ATOM 0 H5'' DG A 2 -3.285 4.704 -18.479 1.00 0.42 H new ATOM 0 H4' DG A 2 -1.047 3.584 -18.618 1.00 0.37 H new ATOM 0 H3' DG A 2 -2.978 3.537 -16.523 1.00 0.38 H new ATOM 0 H2' DG A 2 -1.686 4.617 -14.887 1.00 0.34 H new ATOM 0 H2'' DG A 2 -0.998 3.013 -14.728 1.00 0.34 H new ATOM 0 H1' DG A 2 0.904 3.550 -16.040 1.00 0.30 H new ATOM 0 H8 DG A 2 -0.704 6.855 -14.850 1.00 0.28 H new ATOM 0 H1 DG A 2 5.196 5.593 -12.753 1.00 0.31 H new ATOM 0 H21 DG A 2 4.905 2.699 -14.654 1.00 0.37 H new ATOM 0 H22 DG A 2 5.896 3.685 -13.574 1.00 0.37 H new ATOM 62 P DG A 3 -1.993 0.885 -15.748 1.00 0.40 P ATOM 63 OP1 DG A 3 -2.485 -0.349 -16.403 1.00 0.45 O ATOM 64 OP2 DG A 3 -2.787 1.511 -14.667 1.00 0.46 O ATOM 65 O5' DG A 3 -0.509 0.601 -15.185 1.00 0.36 O ATOM 66 C5' DG A 3 0.423 -0.167 -15.954 1.00 0.31 C ATOM 67 C4' DG A 3 1.552 -0.724 -15.089 1.00 0.30 C ATOM 68 O4' DG A 3 2.346 0.349 -14.523 1.00 0.32 O ATOM 69 C3' DG A 3 0.994 -1.540 -13.928 1.00 0.30 C ATOM 70 O3' DG A 3 1.710 -2.775 -13.777 1.00 0.33 O ATOM 71 C2' DG A 3 1.175 -0.650 -12.732 1.00 0.30 C ATOM 72 C1' DG A 3 2.349 0.234 -13.084 1.00 0.30 C ATOM 73 N9 DG A 3 2.224 1.559 -12.456 1.00 0.30 N ATOM 74 C8 DG A 3 1.206 2.442 -12.528 1.00 0.30 C ATOM 75 N7 DG A 3 1.332 3.557 -11.890 1.00 0.31 N ATOM 76 C5 DG A 3 2.596 3.411 -11.312 1.00 0.30 C ATOM 77 C6 DG A 3 3.324 4.301 -10.480 1.00 0.31 C ATOM 78 O6 DG A 3 2.993 5.414 -10.078 1.00 0.32 O ATOM 79 N1 DG A 3 4.554 3.770 -10.119 1.00 0.34 N ATOM 80 C2 DG A 3 5.032 2.533 -10.506 1.00 0.35 C ATOM 81 N2 DG A 3 6.241 2.198 -10.055 1.00 0.40 N ATOM 82 N3 DG A 3 4.354 1.689 -11.290 1.00 0.33 N ATOM 83 C4 DG A 3 3.151 2.187 -11.655 1.00 0.30 C ATOM 0 H5' DG A 3 0.844 0.457 -16.743 1.00 0.31 H new ATOM 0 H5'' DG A 3 -0.100 -0.989 -16.442 1.00 0.31 H new ATOM 0 H4' DG A 3 2.166 -1.352 -15.734 1.00 0.30 H new ATOM 0 H3' DG A 3 -0.048 -1.823 -14.076 1.00 0.30 H new ATOM 0 H2' DG A 3 0.279 -0.060 -12.539 1.00 0.30 H new ATOM 0 H2'' DG A 3 1.374 -1.232 -11.832 1.00 0.30 H new ATOM 0 H1' DG A 3 3.283 -0.193 -12.719 1.00 0.30 H new ATOM 0 H8 DG A 3 0.316 2.223 -13.100 1.00 0.30 H new ATOM 0 H1 DG A 3 5.153 4.338 -9.520 1.00 0.34 H new ATOM 0 H21 DG A 3 6.648 1.297 -10.307 1.00 0.40 H new ATOM 0 H22 DG A 3 6.759 2.843 -9.458 1.00 0.40 H new ATOM 95 P DA A 4 1.345 -3.809 -12.594 1.00 0.38 P ATOM 96 OP1 DA A 4 1.625 -5.180 -13.077 1.00 0.47 O ATOM 97 OP2 DA A 4 0.001 -3.471 -12.076 1.00 0.45 O ATOM 98 O5' DA A 4 2.429 -3.442 -11.460 1.00 0.33 O ATOM 99 C5' DA A 4 3.777 -3.913 -11.562 1.00 0.31 C ATOM 100 C4' DA A 4 4.571 -3.641 -10.287 1.00 0.31 C ATOM 101 O4' DA A 4 4.635 -2.218 -10.014 1.00 0.28 O ATOM 102 C3' DA A 4 3.915 -4.311 -9.085 1.00 0.36 C ATOM 103 O3' DA A 4 4.884 -5.003 -8.284 1.00 0.40 O ATOM 104 C2' DA A 4 3.288 -3.177 -8.329 1.00 0.34 C ATOM 105 C1' DA A 4 4.109 -1.961 -8.695 1.00 0.30 C ATOM 106 N9 DA A 4 3.277 -0.748 -8.687 1.00 0.30 N ATOM 107 C8 DA A 4 2.068 -0.546 -9.249 1.00 0.32 C ATOM 108 N7 DA A 4 1.524 0.614 -9.100 1.00 0.34 N ATOM 109 C5 DA A 4 2.490 1.280 -8.340 1.00 0.35 C ATOM 110 C6 DA A 4 2.554 2.574 -7.818 1.00 0.41 C ATOM 111 N6 DA A 4 1.588 3.475 -7.991 1.00 0.45 N ATOM 112 N1 DA A 4 3.652 2.904 -7.113 1.00 0.46 N ATOM 113 C2 DA A 4 4.631 2.014 -6.933 1.00 0.45 C ATOM 114 N3 DA A 4 4.672 0.763 -7.382 1.00 0.39 N ATOM 115 C4 DA A 4 3.562 0.457 -8.083 1.00 0.34 C ATOM 0 H5' DA A 4 4.268 -3.429 -12.406 1.00 0.31 H new ATOM 0 H5'' DA A 4 3.773 -4.984 -11.766 1.00 0.31 H new ATOM 0 H4' DA A 4 5.572 -4.043 -10.443 1.00 0.31 H new ATOM 0 H3' DA A 4 3.186 -5.067 -9.375 1.00 0.36 H new ATOM 0 H2' DA A 4 2.243 -3.046 -8.609 1.00 0.34 H new ATOM 0 H2'' DA A 4 3.310 -3.359 -7.255 1.00 0.34 H new ATOM 0 H1' DA A 4 4.911 -1.791 -7.977 1.00 0.30 H new ATOM 0 H8 DA A 4 1.572 -1.328 -9.805 1.00 0.32 H new ATOM 0 H61 DA A 4 1.683 4.408 -7.589 1.00 0.45 H new ATOM 0 H62 DA A 4 0.754 3.232 -8.525 1.00 0.45 H new ATOM 0 H2 DA A 4 5.483 2.347 -6.360 1.00 0.45 H new ATOM 127 P DC A 5 4.476 -5.655 -6.866 1.00 0.46 P ATOM 128 OP1 DC A 5 5.440 -6.736 -6.559 1.00 0.56 O ATOM 129 OP2 DC A 5 3.024 -5.946 -6.885 1.00 0.50 O ATOM 130 O5' DC A 5 4.732 -4.441 -5.837 1.00 0.40 O ATOM 131 C5' DC A 5 6.067 -4.042 -5.513 1.00 0.43 C ATOM 132 C4' DC A 5 6.106 -3.011 -4.393 1.00 0.43 C ATOM 133 O4' DC A 5 5.523 -1.762 -4.827 1.00 0.41 O ATOM 134 C3' DC A 5 5.339 -3.496 -3.167 1.00 0.42 C ATOM 135 O3' DC A 5 6.194 -3.520 -2.013 1.00 0.46 O ATOM 136 C2' DC A 5 4.205 -2.515 -2.995 1.00 0.39 C ATOM 137 C1' DC A 5 4.542 -1.323 -3.872 1.00 0.39 C ATOM 138 N1 DC A 5 3.340 -0.808 -4.551 1.00 0.37 N ATOM 139 C2 DC A 5 3.002 0.517 -4.336 1.00 0.39 C ATOM 140 O2 DC A 5 3.695 1.220 -3.607 1.00 0.42 O ATOM 141 N3 DC A 5 1.897 1.009 -4.951 1.00 0.41 N ATOM 142 C4 DC A 5 1.151 0.235 -5.747 1.00 0.40 C ATOM 143 N4 DC A 5 0.075 0.757 -6.335 1.00 0.44 N ATOM 144 C5 DC A 5 1.495 -1.136 -5.973 1.00 0.38 C ATOM 145 C6 DC A 5 2.593 -1.613 -5.357 1.00 0.37 C ATOM 0 H5' DC A 5 6.546 -3.629 -6.401 1.00 0.43 H new ATOM 0 H5'' DC A 5 6.644 -4.918 -5.218 1.00 0.43 H new ATOM 0 H4' DC A 5 7.154 -2.864 -4.132 1.00 0.43 H new ATOM 0 H3' DC A 5 4.968 -4.514 -3.289 1.00 0.42 H new ATOM 0 H2' DC A 5 3.256 -2.961 -3.292 1.00 0.39 H new ATOM 0 H2'' DC A 5 4.104 -2.215 -1.952 1.00 0.39 H new ATOM 0 H1' DC A 5 4.934 -0.505 -3.268 1.00 0.39 H new ATOM 0 H41 DC A 5 -0.504 0.179 -6.945 1.00 0.44 H new ATOM 0 H42 DC A 5 -0.170 1.734 -6.175 1.00 0.44 H new ATOM 0 H5 DC A 5 0.895 -1.765 -6.614 1.00 0.38 H new ATOM 0 H6 DC A 5 2.884 -2.643 -5.503 1.00 0.37 H new ATOM 157 P DA A 6 5.599 -3.728 -0.526 1.00 0.50 P ATOM 158 OP1 DA A 6 6.561 -4.545 0.248 1.00 0.70 O ATOM 159 OP2 DA A 6 4.188 -4.162 -0.640 1.00 0.49 O ATOM 160 O5' DA A 6 5.616 -2.230 0.066 1.00 0.52 O ATOM 161 C5' DA A 6 6.853 -1.577 0.379 1.00 0.57 C ATOM 162 C4' DA A 6 6.903 -1.134 1.836 1.00 0.52 C ATOM 163 O4' DA A 6 5.950 -0.078 2.072 1.00 0.46 O ATOM 164 C3' DA A 6 6.534 -2.294 2.748 1.00 0.51 C ATOM 165 O3' DA A 6 7.457 -2.460 3.848 1.00 0.56 O ATOM 166 C2' DA A 6 5.139 -1.987 3.228 1.00 0.43 C ATOM 167 C1' DA A 6 4.745 -0.650 2.608 1.00 0.40 C ATOM 168 N9 DA A 6 3.742 -0.812 1.536 1.00 0.39 N ATOM 169 C8 DA A 6 2.866 -1.822 1.289 1.00 0.39 C ATOM 170 N7 DA A 6 2.013 -1.644 0.335 1.00 0.37 N ATOM 171 C5 DA A 6 2.358 -0.363 -0.120 1.00 0.36 C ATOM 172 C6 DA A 6 1.835 0.459 -1.133 1.00 0.36 C ATOM 173 N6 DA A 6 0.686 0.156 -1.800 1.00 0.34 N ATOM 174 N1 DA A 6 2.443 1.676 -1.309 1.00 0.40 N ATOM 175 C2 DA A 6 3.464 2.038 -0.534 1.00 0.43 C ATOM 176 N3 DA A 6 4.012 1.337 0.447 1.00 0.41 N ATOM 177 C4 DA A 6 3.411 0.141 0.602 1.00 0.38 C ATOM 0 H5' DA A 6 6.981 -0.710 -0.270 1.00 0.57 H new ATOM 0 H5'' DA A 6 7.683 -2.253 0.175 1.00 0.57 H new ATOM 0 H4' DA A 6 7.915 -0.787 2.045 1.00 0.52 H new ATOM 0 H3' DA A 6 6.584 -3.243 2.213 1.00 0.51 H new ATOM 0 H2' DA A 6 4.445 -2.772 2.928 1.00 0.43 H new ATOM 0 H2'' DA A 6 5.108 -1.933 4.316 1.00 0.43 H new ATOM 0 H1' DA A 6 4.290 -0.009 3.363 1.00 0.40 H new ATOM 0 H8 DA A 6 2.882 -2.735 1.866 1.00 0.39 H new ATOM 0 H61 DA A 6 0.340 0.780 -2.529 1.00 0.34 H new ATOM 0 H2 DA A 6 3.892 3.011 -0.727 1.00 0.43 H new ATOM 188 P DA A 7 8.125 -1.222 4.650 1.00 0.58 P ATOM 189 OP1 DA A 7 8.436 -0.138 3.692 1.00 0.63 O ATOM 190 OP2 DA A 7 9.202 -1.766 5.507 1.00 0.69 O ATOM 191 O5' DA A 7 6.937 -0.721 5.612 1.00 0.47 O ATOM 192 C5' DA A 7 7.019 0.563 6.238 1.00 0.48 C ATOM 193 C4' DA A 7 5.818 0.837 7.137 1.00 0.42 C ATOM 194 O4' DA A 7 4.585 0.571 6.435 1.00 0.39 O ATOM 195 C3' DA A 7 5.842 -0.031 8.395 1.00 0.36 C ATOM 196 O3' DA A 7 5.909 0.791 9.570 1.00 0.40 O ATOM 197 C2' DA A 7 4.560 -0.824 8.354 1.00 0.32 C ATOM 198 C1' DA A 7 3.701 -0.167 7.293 1.00 0.33 C ATOM 199 N9 DA A 7 2.918 -1.158 6.531 1.00 0.31 N ATOM 200 C8 DA A 7 3.289 -2.345 5.985 1.00 0.33 C ATOM 201 N7 DA A 7 2.385 -3.019 5.358 1.00 0.35 N ATOM 202 C5 DA A 7 1.271 -2.187 5.498 1.00 0.33 C ATOM 203 C6 DA A 7 -0.049 -2.296 5.063 1.00 0.37 C ATOM 204 N6 DA A 7 -0.501 -3.336 4.365 1.00 0.43 N ATOM 205 N1 DA A 7 -0.888 -1.292 5.375 1.00 0.37 N ATOM 206 C2 DA A 7 -0.454 -0.242 6.074 1.00 0.34 C ATOM 207 N3 DA A 7 0.771 -0.039 6.534 1.00 0.31 N ATOM 208 C4 DA A 7 1.590 -1.056 6.209 1.00 0.30 C ATOM 0 H5' DA A 7 7.083 1.336 5.472 1.00 0.48 H new ATOM 0 H5'' DA A 7 7.934 0.621 6.827 1.00 0.48 H new ATOM 0 H4' DA A 7 5.875 1.888 7.422 1.00 0.42 H new ATOM 0 H3' DA A 7 6.713 -0.685 8.429 1.00 0.36 H new ATOM 0 H2' DA A 7 4.754 -1.868 8.109 1.00 0.32 H new ATOM 0 H2'' DA A 7 4.062 -0.812 9.323 1.00 0.32 H new ATOM 0 H1' DA A 7 2.971 0.496 7.757 1.00 0.33 H new ATOM 0 H8 DA A 7 4.302 -2.711 6.072 1.00 0.33 H new ATOM 0 H61 DA A 7 -1.477 -3.367 4.070 1.00 0.43 H new ATOM 0 H62 DA A 7 0.129 -4.102 4.125 1.00 0.43 H new ATOM 0 H2 DA A 7 -1.182 0.527 6.288 1.00 0.34 H new ATOM 220 P DG A 8 5.830 0.152 11.050 1.00 0.36 P ATOM 221 OP1 DG A 8 6.797 0.866 11.915 1.00 0.46 O ATOM 222 OP2 DG A 8 5.897 -1.322 10.931 1.00 0.39 O ATOM 223 O5' DG A 8 4.342 0.553 11.518 1.00 0.37 O ATOM 224 C5' DG A 8 3.974 1.930 11.650 1.00 0.44 C ATOM 225 C4' DG A 8 2.471 2.098 11.862 1.00 0.42 C ATOM 226 O4' DG A 8 1.722 1.532 10.754 1.00 0.38 O ATOM 227 C3' DG A 8 2.012 1.393 13.134 1.00 0.38 C ATOM 228 O3' DG A 8 1.176 2.253 13.922 1.00 0.44 O ATOM 229 C2' DG A 8 1.257 0.190 12.640 1.00 0.30 C ATOM 230 C1' DG A 8 0.766 0.578 11.264 1.00 0.30 C ATOM 231 N9 DG A 8 0.656 -0.602 10.383 1.00 0.24 N ATOM 232 C8 DG A 8 1.567 -1.571 10.112 1.00 0.22 C ATOM 233 N7 DG A 8 1.215 -2.510 9.297 1.00 0.21 N ATOM 234 C5 DG A 8 -0.093 -2.134 8.975 1.00 0.21 C ATOM 235 C6 DG A 8 -1.034 -2.761 8.115 1.00 0.24 C ATOM 236 O6 DG A 8 -0.900 -3.789 7.458 1.00 0.27 O ATOM 237 N1 DG A 8 -2.231 -2.060 8.070 1.00 0.26 N ATOM 238 C2 DG A 8 -2.499 -0.897 8.763 1.00 0.28 C ATOM 239 N2 DG A 8 -3.712 -0.370 8.589 1.00 0.34 N ATOM 240 N3 DG A 8 -1.619 -0.300 9.575 1.00 0.27 N ATOM 241 C4 DG A 8 -0.443 -0.967 9.635 1.00 0.23 C ATOM 0 H5' DG A 8 4.278 2.475 10.756 1.00 0.44 H new ATOM 0 H5'' DG A 8 4.511 2.371 12.490 1.00 0.44 H new ATOM 0 H4' DG A 8 2.285 3.169 11.937 1.00 0.42 H new ATOM 0 H3' DG A 8 2.842 1.116 13.784 1.00 0.38 H new ATOM 0 H2' DG A 8 1.899 -0.690 12.597 1.00 0.30 H new ATOM 0 H2'' DG A 8 0.426 -0.054 13.302 1.00 0.30 H new ATOM 0 H1' DG A 8 -0.234 1.011 11.307 1.00 0.30 H new ATOM 0 H8 DG A 8 2.549 -1.558 10.561 1.00 0.22 H new ATOM 0 H1 DG A 8 -2.972 -2.434 7.477 1.00 0.26 H new ATOM 0 H21 DG A 8 -3.969 0.489 9.075 1.00 0.34 H new ATOM 0 H22 DG A 8 -4.382 -0.826 7.970 1.00 0.34 H new ATOM 253 P DA A 9 0.432 1.712 15.248 1.00 0.48 P ATOM 254 OP1 DA A 9 0.306 2.838 16.200 1.00 0.59 O ATOM 255 OP2 DA A 9 1.091 0.457 15.676 1.00 0.46 O ATOM 256 O5' DA A 9 -1.037 1.348 14.698 1.00 0.52 O ATOM 257 C5' DA A 9 -1.940 2.386 14.304 1.00 0.62 C ATOM 258 C4' DA A 9 -3.301 1.832 13.891 1.00 0.58 C ATOM 259 O4' DA A 9 -3.176 0.928 12.766 1.00 0.51 O ATOM 260 C3' DA A 9 -3.949 1.054 15.030 1.00 0.57 C ATOM 261 O3' DA A 9 -5.330 1.416 15.164 1.00 0.63 O ATOM 262 C2' DA A 9 -3.799 -0.378 14.624 1.00 0.47 C ATOM 263 C1' DA A 9 -3.750 -0.346 13.120 1.00 0.43 C ATOM 264 N9 DA A 9 -2.951 -1.457 12.587 1.00 0.34 N ATOM 265 C8 DA A 9 -1.701 -1.841 12.912 1.00 0.32 C ATOM 266 N7 DA A 9 -1.210 -2.865 12.296 1.00 0.28 N ATOM 267 C5 DA A 9 -2.267 -3.212 11.448 1.00 0.27 C ATOM 268 C6 DA A 9 -2.431 -4.227 10.499 1.00 0.30 C ATOM 269 N6 DA A 9 -1.488 -5.127 10.224 1.00 0.35 N ATOM 270 N1 DA A 9 -3.604 -4.277 9.844 1.00 0.34 N ATOM 271 C2 DA A 9 -4.562 -3.385 10.102 1.00 0.33 C ATOM 272 N3 DA A 9 -4.514 -2.388 10.977 1.00 0.32 N ATOM 273 C4 DA A 9 -3.331 -2.358 11.621 1.00 0.30 C ATOM 0 H5' DA A 9 -1.509 2.946 13.474 1.00 0.62 H new ATOM 0 H5'' DA A 9 -2.069 3.087 15.129 1.00 0.62 H new ATOM 0 H4' DA A 9 -3.916 2.691 13.622 1.00 0.58 H new ATOM 0 H3' DA A 9 -3.491 1.257 15.998 1.00 0.57 H new ATOM 0 H2' DA A 9 -2.891 -0.815 15.040 1.00 0.47 H new ATOM 0 H2'' DA A 9 -4.635 -0.980 14.980 1.00 0.47 H new ATOM 0 H1' DA A 9 -4.746 -0.462 12.692 1.00 0.43 H new ATOM 0 H8 DA A 9 -1.130 -1.312 13.661 1.00 0.32 H new ATOM 0 H61 DA A 9 -1.659 -5.847 9.522 1.00 0.35 H new ATOM 0 H62 DA A 9 -0.595 -5.096 10.715 1.00 0.35 H new ATOM 0 H2 DA A 9 -5.477 -3.485 9.537 1.00 0.33 H new ATOM 285 P DA A 10 -6.185 0.982 16.460 1.00 0.67 P ATOM 286 OP1 DA A 10 -6.672 2.211 17.125 1.00 0.81 O ATOM 287 OP2 DA A 10 -5.401 -0.011 17.228 1.00 0.67 O ATOM 288 O5' DA A 10 -7.447 0.228 15.804 1.00 0.60 O ATOM 289 C5' DA A 10 -8.438 0.955 15.069 1.00 0.60 C ATOM 290 C4' DA A 10 -9.340 0.014 14.275 1.00 0.47 C ATOM 291 O4' DA A 10 -8.536 -0.818 13.402 1.00 0.40 O ATOM 292 C3' DA A 10 -10.091 -0.916 15.219 1.00 0.46 C ATOM 293 O3' DA A 10 -11.442 -1.118 14.775 1.00 0.42 O ATOM 294 C2' DA A 10 -9.305 -2.182 15.169 1.00 0.41 C ATOM 295 C1' DA A 10 -8.692 -2.201 13.786 1.00 0.32 C ATOM 296 N9 DA A 10 -7.388 -2.872 13.822 1.00 0.31 N ATOM 297 C8 DA A 10 -6.353 -2.640 14.648 1.00 0.37 C ATOM 298 N7 DA A 10 -5.291 -3.359 14.497 1.00 0.34 N ATOM 299 C5 DA A 10 -5.663 -4.182 13.427 1.00 0.27 C ATOM 300 C6 DA A 10 -4.997 -5.201 12.737 1.00 0.27 C ATOM 301 N6 DA A 10 -3.756 -5.590 13.032 1.00 0.29 N ATOM 302 N1 DA A 10 -5.660 -5.804 11.732 1.00 0.33 N ATOM 303 C2 DA A 10 -6.904 -5.430 11.423 1.00 0.33 C ATOM 304 N3 DA A 10 -7.626 -4.479 12.009 1.00 0.28 N ATOM 305 C4 DA A 10 -6.942 -3.890 13.010 1.00 0.26 C ATOM 0 H5' DA A 10 -7.950 1.654 14.390 1.00 0.60 H new ATOM 0 H5'' DA A 10 -9.042 1.547 15.756 1.00 0.60 H new ATOM 0 H4' DA A 10 -10.038 0.622 13.700 1.00 0.47 H new ATOM 0 H3' DA A 10 -10.175 -0.518 16.230 1.00 0.46 H new ATOM 0 H2' DA A 10 -8.537 -2.202 15.942 1.00 0.41 H new ATOM 0 H2'' DA A 10 -9.943 -3.051 15.331 1.00 0.41 H new ATOM 0 H1' DA A 10 -9.317 -2.743 13.076 1.00 0.32 H new ATOM 0 H8 DA A 10 -6.408 -1.878 15.412 1.00 0.37 H new ATOM 0 H61 DA A 10 -3.316 -6.339 12.497 1.00 0.29 H new ATOM 0 H62 DA A 10 -3.247 -5.139 13.792 1.00 0.29 H new ATOM 0 H2 DA A 10 -7.376 -5.958 10.607 1.00 0.33 H new ATOM 317 P DG A 11 -12.443 -2.104 15.567 1.00 0.45 P ATOM 318 OP1 DG A 11 -13.798 -1.507 15.540 1.00 0.49 O ATOM 319 OP2 DG A 11 -11.823 -2.460 16.864 1.00 0.56 O ATOM 320 O5' DG A 11 -12.453 -3.421 14.636 1.00 0.39 O ATOM 321 C5' DG A 11 -13.235 -3.459 13.437 1.00 0.33 C ATOM 322 C4' DG A 11 -13.330 -4.873 12.865 1.00 0.32 C ATOM 323 O4' DG A 11 -12.019 -5.372 12.501 1.00 0.32 O ATOM 324 C3' DG A 11 -13.917 -5.839 13.889 1.00 0.39 C ATOM 325 O3' DG A 11 -14.893 -6.693 13.283 1.00 0.41 O ATOM 326 C2' DG A 11 -12.735 -6.631 14.366 1.00 0.42 C ATOM 327 C1' DG A 11 -11.760 -6.603 13.211 1.00 0.38 C ATOM 328 N9 DG A 11 -10.371 -6.639 13.696 1.00 0.40 N ATOM 329 C8 DG A 11 -9.740 -5.779 14.523 1.00 0.42 C ATOM 330 N7 DG A 11 -8.504 -6.016 14.807 1.00 0.45 N ATOM 331 C5 DG A 11 -8.267 -7.185 14.080 1.00 0.46 C ATOM 332 C6 DG A 11 -7.084 -7.960 13.971 1.00 0.50 C ATOM 333 O6 DG A 11 -5.994 -7.765 14.502 1.00 0.53 O ATOM 334 N1 DG A 11 -7.268 -9.058 13.141 1.00 0.53 N ATOM 335 C2 DG A 11 -8.445 -9.377 12.492 1.00 0.51 C ATOM 336 N2 DG A 11 -8.426 -10.476 11.736 1.00 0.57 N ATOM 337 N3 DG A 11 -9.565 -8.652 12.590 1.00 0.46 N ATOM 338 C4 DG A 11 -9.407 -7.576 13.395 1.00 0.43 C ATOM 0 H5' DG A 11 -12.793 -2.795 12.694 1.00 0.33 H new ATOM 0 H5'' DG A 11 -14.237 -3.083 13.645 1.00 0.33 H new ATOM 0 H4' DG A 11 -13.973 -4.815 11.987 1.00 0.32 H new ATOM 0 H3' DG A 11 -14.430 -5.325 14.702 1.00 0.39 H new ATOM 0 H2' DG A 11 -12.299 -6.190 15.262 1.00 0.42 H new ATOM 0 H2'' DG A 11 -13.019 -7.652 14.619 1.00 0.42 H new ATOM 0 HO3' DG A 11 -15.255 -7.305 13.957 1.00 0.41 H new ATOM 0 H1' DG A 11 -11.888 -7.471 12.565 1.00 0.38 H new ATOM 0 H8 DG A 11 -10.252 -4.921 14.933 1.00 0.42 H new ATOM 0 H1 DG A 11 -6.471 -9.678 12.999 1.00 0.53 H new ATOM 0 H21 DG A 11 -9.265 -10.763 11.232 1.00 0.57 H new ATOM 0 H22 DG A 11 -7.572 -11.029 11.662 1.00 0.57 H new TER 351 DG A 11 HETATM 352 C4C BZA A 12 -0.132 -0.880 -1.553 1.00 0.33 C HETATM 353 C9C BZA A 12 -0.260 -1.730 -2.822 1.00 0.39 C HETATM 354 O3 BZA A 12 -0.567 -3.083 -2.474 1.00 0.42 O HETATM 355 C8B BZA A 12 -1.324 -1.175 -3.758 1.00 0.38 C HETATM 356 O2 BZA A 12 -1.051 0.192 -4.085 1.00 0.39 O HETATM 357 C3B BZA A 12 -2.694 -1.305 -3.120 1.00 0.33 C HETATM 358 O1 BZA A 12 -3.698 -0.753 -3.976 1.00 0.34 O HETATM 359 C3A BZA A 12 -2.707 -0.572 -1.799 1.00 0.28 C HETATM 360 C2A BZA A 12 -3.946 -0.080 -1.294 1.00 0.26 C HETATM 361 C4A BZA A 12 -1.496 -0.367 -1.053 1.00 0.29 C HETATM 362 C1A BZA A 12 -3.993 0.606 -0.070 1.00 0.25 C HETATM 363 C5A BZA A 12 -0.396 0.569 0.954 1.00 0.27 C HETATM 364 C4B BZA A 12 -1.566 0.335 0.188 1.00 0.26 C HETATM 365 C6A BZA A 12 0.702 1.508 2.903 1.00 0.27 C HETATM 366 C7A BZA A 12 0.642 2.217 4.114 1.00 0.27 C HETATM 367 C8A BZA A 12 -0.608 2.696 4.591 1.00 0.28 C HETATM 368 C5B BZA A 12 -0.473 1.271 2.165 1.00 0.25 C HETATM 369 C9B BZA A 12 -1.717 1.747 2.633 1.00 0.25 C HETATM 370 C11 BZA A 12 -2.817 0.814 0.667 1.00 0.24 C HETATM 371 C9A BZA A 12 -1.786 2.459 3.844 1.00 0.27 C HETATM 372 C10 BZA A 12 -2.888 1.514 1.885 1.00 0.25 C HETATM 0 H4C2 BZA A 12 0.341 -1.471 -0.769 1.00 0.33 H new HETATM 0 HO2 BZA A 12 -0.090 0.306 -4.238 1.00 0.39 H new HETATM 0 H9C BZA A 12 0.695 -1.699 -3.347 1.00 0.39 H new HETATM 0 H9A BZA A 12 -2.746 2.828 4.206 1.00 0.27 H new HETATM 0 H8B BZA A 12 -1.309 -1.752 -4.682 1.00 0.38 H new HETATM 0 H8A BZA A 12 -0.659 3.245 5.531 1.00 0.28 H new HETATM 0 H7A BZA A 12 1.552 2.399 4.686 1.00 0.27 H new HETATM 0 H6A BZA A 12 1.660 1.141 2.534 1.00 0.27 H new HETATM 0 H5A BZA A 12 0.567 0.202 0.600 1.00 0.27 H new HETATM 0 H3B BZA A 12 -2.907 -2.362 -2.960 1.00 0.33 H new HETATM 0 H3 BZA A 12 -0.649 -3.620 -3.290 1.00 0.42 H new HETATM 0 H2A BZA A 12 -4.863 -0.237 -1.862 1.00 0.26 H new HETATM 0 H1A BZA A 12 -4.945 0.978 0.309 1.00 0.25 H new HETATM 0 H10 BZA A 12 -3.849 1.876 2.250 1.00 0.25 H new HETATM 0 H1 BZA A 12 -4.574 -1.114 -3.727 1.00 0.34 H new ATOM 388 O5' DC B 12 -1.265 -14.957 14.132 1.00 0.44 O ATOM 389 C5' DC B 12 -1.864 -16.194 13.736 1.00 0.45 C ATOM 390 C4' DC B 12 -3.007 -15.973 12.752 1.00 0.45 C ATOM 391 O4' DC B 12 -3.882 -14.928 13.243 1.00 0.43 O ATOM 392 C3' DC B 12 -2.472 -15.523 11.398 1.00 0.44 C ATOM 393 O3' DC B 12 -3.169 -16.185 10.329 1.00 0.46 O ATOM 394 C2' DC B 12 -2.711 -14.041 11.388 1.00 0.41 C ATOM 395 C1' DC B 12 -3.905 -13.836 12.297 1.00 0.42 C ATOM 396 N1 DC B 12 -3.790 -12.548 13.003 1.00 0.40 N ATOM 397 C2 DC B 12 -4.860 -11.665 12.949 1.00 0.41 C ATOM 398 O2 DC B 12 -5.879 -11.956 12.327 1.00 0.43 O ATOM 399 N3 DC B 12 -4.742 -10.477 13.600 1.00 0.41 N ATOM 400 C4 DC B 12 -3.627 -10.168 14.276 1.00 0.41 C ATOM 401 N4 DC B 12 -3.549 -8.994 14.903 1.00 0.42 N ATOM 402 C5 DC B 12 -2.525 -11.077 14.333 1.00 0.40 C ATOM 403 C6 DC B 12 -2.651 -12.248 13.686 1.00 0.40 C ATOM 0 H5' DC B 12 -2.237 -16.717 14.617 1.00 0.45 H new ATOM 0 H5'' DC B 12 -1.109 -16.835 13.280 1.00 0.45 H new ATOM 0 H4' DC B 12 -3.544 -16.916 12.648 1.00 0.45 H new ATOM 0 H3' DC B 12 -1.420 -15.768 11.252 1.00 0.44 H new ATOM 0 H2' DC B 12 -1.839 -13.497 11.751 1.00 0.41 H new ATOM 0 H2'' DC B 12 -2.915 -13.680 10.380 1.00 0.41 H new ATOM 0 HO5' DC B 12 -0.537 -15.134 14.764 1.00 0.44 H new ATOM 0 H1' DC B 12 -4.838 -13.818 11.733 1.00 0.42 H new ATOM 0 H41 DC B 12 -2.706 -8.747 15.421 1.00 0.42 H new ATOM 0 H42 DC B 12 -4.333 -8.342 14.865 1.00 0.42 H new ATOM 0 H5 DC B 12 -1.624 -10.832 14.876 1.00 0.40 H new ATOM 0 H6 DC B 12 -1.839 -12.960 13.708 1.00 0.40 H new ATOM 416 P DT B 13 -3.177 -15.587 8.830 1.00 0.45 P ATOM 417 OP1 DT B 13 -3.631 -16.651 7.908 1.00 0.49 O ATOM 418 OP2 DT B 13 -1.886 -14.904 8.592 1.00 0.46 O ATOM 419 O5' DT B 13 -4.332 -14.467 8.919 1.00 0.44 O ATOM 420 C5' DT B 13 -5.689 -14.855 9.151 1.00 0.47 C ATOM 421 C4' DT B 13 -6.670 -13.728 8.844 1.00 0.46 C ATOM 422 O4' DT B 13 -6.522 -12.632 9.782 1.00 0.43 O ATOM 423 C3' DT B 13 -6.442 -13.172 7.444 1.00 0.46 C ATOM 424 O3' DT B 13 -7.676 -13.078 6.720 1.00 0.49 O ATOM 425 C2' DT B 13 -5.834 -11.815 7.677 1.00 0.42 C ATOM 426 C1' DT B 13 -6.322 -11.406 9.050 1.00 0.39 C ATOM 427 N1 DT B 13 -5.353 -10.525 9.734 1.00 0.37 N ATOM 428 C2 DT B 13 -5.776 -9.255 10.086 1.00 0.36 C ATOM 429 O2 DT B 13 -6.910 -8.847 9.840 1.00 0.37 O ATOM 430 N3 DT B 13 -4.845 -8.462 10.727 1.00 0.36 N ATOM 431 C4 DT B 13 -3.546 -8.819 11.037 1.00 0.35 C ATOM 432 O4 DT B 13 -2.807 -8.031 11.624 1.00 0.36 O ATOM 433 C5 DT B 13 -3.190 -10.160 10.626 1.00 0.36 C ATOM 434 C7 DT B 13 -1.792 -10.693 10.927 1.00 0.38 C ATOM 435 C6 DT B 13 -4.086 -10.957 10.006 1.00 0.38 C ATOM 0 H5' DT B 13 -5.805 -15.162 10.190 1.00 0.47 H new ATOM 0 H5'' DT B 13 -5.928 -15.721 8.534 1.00 0.47 H new ATOM 0 H4' DT B 13 -7.670 -14.155 8.923 1.00 0.46 H new ATOM 0 H3' DT B 13 -5.798 -13.811 6.840 1.00 0.46 H new ATOM 0 H2' DT B 13 -4.745 -11.857 7.640 1.00 0.42 H new ATOM 0 H2'' DT B 13 -6.152 -11.103 6.915 1.00 0.42 H new ATOM 0 H1' DT B 13 -7.245 -10.830 8.980 1.00 0.39 H new ATOM 0 H3 DT B 13 -5.144 -7.525 10.997 1.00 0.36 H new ATOM 0 H71 DT B 13 -1.835 -11.774 11.059 1.00 0.38 H new ATOM 0 H72 DT B 13 -1.126 -10.455 10.098 1.00 0.38 H new ATOM 0 H73 DT B 13 -1.415 -10.231 11.839 1.00 0.38 H new ATOM 0 H6 DT B 13 -3.795 -11.957 9.719 1.00 0.38 H new ATOM 448 P DT B 14 -7.716 -12.464 5.231 1.00 0.52 P ATOM 449 OP1 DT B 14 -8.866 -13.060 4.514 1.00 0.62 O ATOM 450 OP2 DT B 14 -6.358 -12.554 4.649 1.00 0.59 O ATOM 451 O5' DT B 14 -8.043 -10.912 5.508 1.00 0.43 O ATOM 452 C5' DT B 14 -9.337 -10.521 5.975 1.00 0.36 C ATOM 453 C4' DT B 14 -9.475 -9.004 6.062 1.00 0.31 C ATOM 454 O4' DT B 14 -8.563 -8.447 7.047 1.00 0.32 O ATOM 455 C3' DT B 14 -9.160 -8.345 4.723 1.00 0.36 C ATOM 456 O3' DT B 14 -10.187 -7.419 4.351 1.00 0.39 O ATOM 457 C2' DT B 14 -7.845 -7.656 4.946 1.00 0.36 C ATOM 458 C1' DT B 14 -7.791 -7.395 6.432 1.00 0.31 C ATOM 459 N1 DT B 14 -6.401 -7.369 6.939 1.00 0.31 N ATOM 460 C2 DT B 14 -6.035 -6.301 7.741 1.00 0.30 C ATOM 461 O2 DT B 14 -6.816 -5.396 8.028 1.00 0.33 O ATOM 462 N3 DT B 14 -4.731 -6.302 8.194 1.00 0.31 N ATOM 463 C4 DT B 14 -3.772 -7.257 7.920 1.00 0.33 C ATOM 464 O4 DT B 14 -2.642 -7.160 8.393 1.00 0.35 O ATOM 465 C5 DT B 14 -4.239 -8.331 7.073 1.00 0.36 C ATOM 466 C7 DT B 14 -3.284 -9.465 6.710 1.00 0.44 C ATOM 467 C6 DT B 14 -5.512 -8.358 6.621 1.00 0.34 C ATOM 0 H5' DT B 14 -9.516 -10.959 6.957 1.00 0.36 H new ATOM 0 H5'' DT B 14 -10.100 -10.917 5.305 1.00 0.36 H new ATOM 0 H4' DT B 14 -10.507 -8.804 6.349 1.00 0.31 H new ATOM 0 H3' DT B 14 -9.109 -9.064 3.905 1.00 0.36 H new ATOM 0 H2' DT B 14 -7.012 -8.281 4.624 1.00 0.36 H new ATOM 0 H2'' DT B 14 -7.784 -6.727 4.379 1.00 0.36 H new ATOM 0 H1' DT B 14 -8.200 -6.413 6.671 1.00 0.31 H new ATOM 0 H3 DT B 14 -4.449 -5.522 8.788 1.00 0.31 H new ATOM 0 H71 DT B 14 -2.262 -9.087 6.687 1.00 0.44 H new ATOM 0 H72 DT B 14 -3.361 -10.258 7.454 1.00 0.44 H new ATOM 0 H73 DT B 14 -3.546 -9.861 5.729 1.00 0.44 H new ATOM 0 H6 DT B 14 -5.834 -9.178 5.996 1.00 0.34 H new ATOM 480 P DC B 15 -10.095 -6.589 2.974 1.00 0.47 P ATOM 481 OP1 DC B 15 -11.456 -6.482 2.403 1.00 0.58 O ATOM 482 OP2 DC B 15 -8.994 -7.151 2.158 1.00 0.54 O ATOM 483 O5' DC B 15 -9.646 -5.133 3.488 1.00 0.44 O ATOM 484 C5' DC B 15 -10.531 -4.354 4.296 1.00 0.42 C ATOM 485 C4' DC B 15 -9.921 -3.007 4.663 1.00 0.38 C ATOM 486 O4' DC B 15 -8.760 -3.170 5.517 1.00 0.37 O ATOM 487 C3' DC B 15 -9.475 -2.253 3.415 1.00 0.37 C ATOM 488 O3' DC B 15 -9.987 -0.916 3.406 1.00 0.38 O ATOM 489 C2' DC B 15 -7.972 -2.269 3.480 1.00 0.35 C ATOM 490 C1' DC B 15 -7.650 -2.442 4.952 1.00 0.35 C ATOM 491 N1 DC B 15 -6.369 -3.170 5.159 1.00 0.35 N ATOM 492 C2 DC B 15 -5.457 -2.617 6.053 1.00 0.35 C ATOM 493 O2 DC B 15 -5.718 -1.569 6.641 1.00 0.36 O ATOM 494 N3 DC B 15 -4.276 -3.263 6.256 1.00 0.36 N ATOM 495 C4 DC B 15 -3.992 -4.403 5.615 1.00 0.38 C ATOM 496 N4 DC B 15 -2.823 -5.006 5.837 1.00 0.41 N ATOM 497 C5 DC B 15 -4.919 -4.981 4.695 1.00 0.39 C ATOM 498 C6 DC B 15 -6.092 -4.341 4.495 1.00 0.37 C ATOM 0 H5' DC B 15 -10.772 -4.904 5.206 1.00 0.42 H new ATOM 0 H5'' DC B 15 -11.468 -4.196 3.761 1.00 0.42 H new ATOM 0 H4' DC B 15 -10.694 -2.447 5.188 1.00 0.38 H new ATOM 0 H3' DC B 15 -9.848 -2.712 2.500 1.00 0.37 H new ATOM 0 H2' DC B 15 -7.559 -3.084 2.886 1.00 0.35 H new ATOM 0 H2'' DC B 15 -7.549 -1.344 3.089 1.00 0.35 H new ATOM 0 H1' DC B 15 -7.517 -1.474 5.436 1.00 0.35 H new ATOM 0 H41 DC B 15 -2.598 -5.875 5.353 1.00 0.41 H new ATOM 0 H42 DC B 15 -2.155 -4.598 6.491 1.00 0.41 H new ATOM 0 H5 DC B 15 -4.690 -5.900 4.176 1.00 0.39 H new ATOM 0 H6 DC B 15 -6.817 -4.753 3.808 1.00 0.37 H new ATOM 510 P DT B 16 -10.086 -0.086 2.028 1.00 0.38 P ATOM 511 OP1 DT B 16 -11.469 0.424 1.894 1.00 0.44 O ATOM 512 OP2 DT B 16 -9.494 -0.903 0.945 1.00 0.45 O ATOM 513 O5' DT B 16 -9.112 1.163 2.303 1.00 0.37 O ATOM 514 C5' DT B 16 -9.496 2.200 3.211 1.00 0.34 C ATOM 515 C4' DT B 16 -8.281 2.943 3.751 1.00 0.29 C ATOM 516 O4' DT B 16 -7.415 2.043 4.481 1.00 0.30 O ATOM 517 C3' DT B 16 -7.471 3.562 2.613 1.00 0.28 C ATOM 518 O3' DT B 16 -7.429 4.995 2.728 1.00 0.29 O ATOM 519 C2' DT B 16 -6.079 2.986 2.761 1.00 0.28 C ATOM 520 C1' DT B 16 -6.049 2.296 4.114 1.00 0.28 C ATOM 521 N1 DT B 16 -5.247 1.049 4.074 1.00 0.28 N ATOM 522 C2 DT B 16 -4.282 0.881 5.053 1.00 0.29 C ATOM 523 O2 DT B 16 -4.085 1.715 5.934 1.00 0.32 O ATOM 524 N3 DT B 16 -3.539 -0.281 4.974 1.00 0.31 N ATOM 525 C4 DT B 16 -3.671 -1.270 4.018 1.00 0.30 C ATOM 526 O4 DT B 16 -2.968 -2.274 4.049 1.00 0.33 O ATOM 527 C5 DT B 16 -4.693 -1.005 3.043 1.00 0.29 C ATOM 528 C7 DT B 16 -4.961 -2.017 1.945 1.00 0.32 C ATOM 529 C6 DT B 16 -5.434 0.107 3.096 1.00 0.28 C ATOM 0 H5' DT B 16 -10.060 1.770 4.039 1.00 0.34 H new ATOM 0 H5'' DT B 16 -10.159 2.902 2.705 1.00 0.34 H new ATOM 0 H4' DT B 16 -8.649 3.727 4.413 1.00 0.29 H new ATOM 0 H3' DT B 16 -7.912 3.340 1.641 1.00 0.28 H new ATOM 0 H2' DT B 16 -5.862 2.280 1.959 1.00 0.28 H new ATOM 0 H2'' DT B 16 -5.325 3.771 2.707 1.00 0.28 H new ATOM 0 H1' DT B 16 -5.566 2.929 4.859 1.00 0.28 H new ATOM 0 H3 DT B 16 -2.825 -0.422 5.689 1.00 0.31 H new ATOM 0 H71 DT B 16 -6.010 -1.967 1.653 1.00 0.32 H new ATOM 0 H72 DT B 16 -4.333 -1.793 1.083 1.00 0.32 H new ATOM 0 H73 DT B 16 -4.733 -3.019 2.310 1.00 0.32 H new ATOM 0 H6 DT B 16 -6.198 0.267 2.350 1.00 0.28 H new ATOM 542 P DT B 17 -6.555 5.896 1.705 1.00 0.31 P ATOM 543 OP1 DT B 17 -6.882 7.319 1.951 1.00 0.39 O ATOM 544 OP2 DT B 17 -6.712 5.333 0.345 1.00 0.35 O ATOM 545 O5' DT B 17 -5.028 5.642 2.179 1.00 0.30 O ATOM 546 C5' DT B 17 -4.571 6.071 3.470 1.00 0.31 C ATOM 547 C4' DT B 17 -3.050 6.213 3.534 1.00 0.28 C ATOM 548 O4' DT B 17 -2.392 5.008 3.081 1.00 0.28 O ATOM 549 C3' DT B 17 -2.559 7.358 2.664 1.00 0.26 C ATOM 550 O3' DT B 17 -2.284 8.538 3.447 1.00 0.28 O ATOM 551 C2' DT B 17 -1.313 6.831 1.994 1.00 0.24 C ATOM 552 C1' DT B 17 -1.221 5.350 2.307 1.00 0.25 C ATOM 553 N1 DT B 17 -1.141 4.555 1.068 1.00 0.24 N ATOM 554 C2 DT B 17 0.077 4.006 0.706 1.00 0.26 C ATOM 555 O2 DT B 17 1.097 4.164 1.372 1.00 0.27 O ATOM 556 N3 DT B 17 0.078 3.271 -0.466 1.00 0.29 N ATOM 557 C4 DT B 17 -1.013 3.049 -1.288 1.00 0.30 C ATOM 558 O4 DT B 17 -0.911 2.362 -2.299 1.00 0.35 O ATOM 559 C5 DT B 17 -2.230 3.669 -0.824 1.00 0.27 C ATOM 560 C7 DT B 17 -3.519 3.483 -1.621 1.00 0.30 C ATOM 561 C6 DT B 17 -2.245 4.382 0.319 1.00 0.25 C ATOM 0 H5' DT B 17 -4.898 5.355 4.224 1.00 0.31 H new ATOM 0 H5'' DT B 17 -5.033 7.027 3.716 1.00 0.31 H new ATOM 0 H4' DT B 17 -2.806 6.408 4.578 1.00 0.28 H new ATOM 0 H3' DT B 17 -3.310 7.666 1.936 1.00 0.26 H new ATOM 0 H2' DT B 17 -1.358 6.994 0.917 1.00 0.24 H new ATOM 0 H2'' DT B 17 -0.430 7.356 2.359 1.00 0.24 H new ATOM 0 H1' DT B 17 -0.316 5.128 2.873 1.00 0.25 H new ATOM 0 H3 DT B 17 0.964 2.854 -0.750 1.00 0.29 H new ATOM 0 H71 DT B 17 -4.373 3.519 -0.945 1.00 0.30 H new ATOM 0 H72 DT B 17 -3.608 4.279 -2.361 1.00 0.30 H new ATOM 0 H73 DT B 17 -3.498 2.518 -2.127 1.00 0.30 H new ATOM 0 H6 DT B 17 -3.173 4.829 0.644 1.00 0.25 H new ATOM 574 P DG B 18 -0.958 8.676 4.362 1.00 0.31 P ATOM 575 OP1 DG B 18 -0.887 7.500 5.258 1.00 0.36 O ATOM 576 OP2 DG B 18 -0.935 10.040 4.936 1.00 0.38 O ATOM 577 O5' DG B 18 0.239 8.562 3.284 1.00 0.30 O ATOM 578 C5' DG B 18 0.337 9.474 2.182 1.00 0.28 C ATOM 579 C4' DG B 18 1.446 9.059 1.210 1.00 0.27 C ATOM 580 O4' DG B 18 1.197 7.759 0.608 1.00 0.24 O ATOM 581 C3' DG B 18 1.592 10.062 0.064 1.00 0.30 C ATOM 582 O3' DG B 18 2.829 10.792 0.197 1.00 0.38 O ATOM 583 C2' DG B 18 1.553 9.227 -1.191 1.00 0.26 C ATOM 584 C1' DG B 18 1.717 7.795 -0.735 1.00 0.22 C ATOM 585 N9 DG B 18 1.040 6.846 -1.655 1.00 0.22 N ATOM 586 C8 DG B 18 -0.243 6.811 -2.101 1.00 0.25 C ATOM 587 N7 DG B 18 -0.566 5.872 -2.927 1.00 0.27 N ATOM 588 C5 DG B 18 0.639 5.183 -3.064 1.00 0.26 C ATOM 589 C6 DG B 18 0.948 4.036 -3.845 1.00 0.30 C ATOM 590 O6 DG B 18 0.205 3.387 -4.581 1.00 0.34 O ATOM 591 N1 DG B 18 2.275 3.665 -3.699 1.00 0.29 N ATOM 592 C2 DG B 18 3.199 4.310 -2.902 1.00 0.26 C ATOM 593 N2 DG B 18 4.430 3.800 -2.895 1.00 0.29 N ATOM 594 N3 DG B 18 2.919 5.388 -2.165 1.00 0.22 N ATOM 595 C4 DG B 18 1.628 5.771 -2.290 1.00 0.22 C ATOM 0 H5' DG B 18 0.536 10.479 2.556 1.00 0.28 H new ATOM 0 H5'' DG B 18 -0.616 9.513 1.654 1.00 0.28 H new ATOM 0 H4' DG B 18 2.355 9.022 1.811 1.00 0.27 H new ATOM 0 H3' DG B 18 0.804 10.815 0.054 1.00 0.30 H new ATOM 0 H2' DG B 18 0.611 9.363 -1.723 1.00 0.26 H new ATOM 0 H2'' DG B 18 2.350 9.513 -1.877 1.00 0.26 H new ATOM 0 H1' DG B 18 2.759 7.476 -0.748 1.00 0.22 H new ATOM 0 H8 DG B 18 -0.968 7.543 -1.776 1.00 0.25 H new ATOM 0 H1 DG B 18 2.595 2.850 -4.222 1.00 0.29 H new ATOM 0 H21 DG B 18 5.158 4.232 -2.326 1.00 0.29 H new ATOM 0 H22 DG B 18 4.644 2.978 -3.459 1.00 0.29 H new ATOM 607 P DT B 19 3.606 11.422 -1.074 1.00 0.43 P ATOM 608 OP1 DT B 19 4.501 12.494 -0.584 1.00 0.55 O ATOM 609 OP2 DT B 19 2.614 11.718 -2.133 1.00 0.43 O ATOM 610 O5' DT B 19 4.520 10.188 -1.568 1.00 0.42 O ATOM 611 C5' DT B 19 5.359 9.497 -0.636 1.00 0.46 C ATOM 612 C4' DT B 19 6.350 8.562 -1.327 1.00 0.41 C ATOM 613 O4' DT B 19 5.668 7.459 -1.976 1.00 0.37 O ATOM 614 C3' DT B 19 7.156 9.296 -2.395 1.00 0.40 C ATOM 615 O3' DT B 19 8.560 9.028 -2.250 1.00 0.43 O ATOM 616 C2' DT B 19 6.622 8.763 -3.694 1.00 0.33 C ATOM 617 C1' DT B 19 6.081 7.391 -3.356 1.00 0.31 C ATOM 618 N1 DT B 19 4.954 7.018 -4.234 1.00 0.27 N ATOM 619 C2 DT B 19 5.045 5.822 -4.925 1.00 0.27 C ATOM 620 O2 DT B 19 6.024 5.083 -4.837 1.00 0.31 O ATOM 621 N3 DT B 19 3.970 5.508 -5.733 1.00 0.28 N ATOM 622 C4 DT B 19 2.834 6.275 -5.912 1.00 0.27 C ATOM 623 O4 DT B 19 1.930 5.888 -6.647 1.00 0.30 O ATOM 624 C5 DT B 19 2.832 7.507 -5.156 1.00 0.26 C ATOM 625 C7 DT B 19 1.628 8.438 -5.238 1.00 0.29 C ATOM 626 C6 DT B 19 3.865 7.832 -4.355 1.00 0.27 C ATOM 0 H5' DT B 19 4.738 8.921 0.050 1.00 0.46 H new ATOM 0 H5'' DT B 19 5.907 10.224 -0.036 1.00 0.46 H new ATOM 0 H4' DT B 19 7.013 8.189 -0.547 1.00 0.41 H new ATOM 0 H3' DT B 19 7.057 10.379 -2.327 1.00 0.40 H new ATOM 0 H2' DT B 19 5.841 9.409 -4.095 1.00 0.33 H new ATOM 0 H2'' DT B 19 7.406 8.704 -4.449 1.00 0.33 H new ATOM 0 H1' DT B 19 6.839 6.623 -3.508 1.00 0.31 H new ATOM 0 H3 DT B 19 4.019 4.628 -6.246 1.00 0.28 H new ATOM 0 H71 DT B 19 1.522 8.980 -4.298 1.00 0.29 H new ATOM 0 H72 DT B 19 1.772 9.148 -6.052 1.00 0.29 H new ATOM 0 H73 DT B 19 0.727 7.853 -5.423 1.00 0.29 H new ATOM 0 H6 DT B 19 3.831 8.756 -3.797 1.00 0.27 H new ATOM 639 P DC B 20 9.620 9.460 -3.388 1.00 0.42 P ATOM 640 OP1 DC B 20 10.935 9.667 -2.740 1.00 0.56 O ATOM 641 OP2 DC B 20 9.020 10.542 -4.201 1.00 0.47 O ATOM 642 O5' DC B 20 9.710 8.135 -4.302 1.00 0.35 O ATOM 643 C5' DC B 20 10.297 6.937 -3.782 1.00 0.39 C ATOM 644 C4' DC B 20 10.392 5.839 -4.840 1.00 0.35 C ATOM 645 O4' DC B 20 9.078 5.465 -5.329 1.00 0.30 O ATOM 646 C3' DC B 20 11.212 6.298 -6.042 1.00 0.32 C ATOM 647 O3' DC B 20 12.186 5.307 -6.402 1.00 0.37 O ATOM 648 C2' DC B 20 10.196 6.499 -7.132 1.00 0.26 C ATOM 649 C1' DC B 20 9.052 5.584 -6.768 1.00 0.26 C ATOM 650 N1 DC B 20 7.761 6.130 -7.235 1.00 0.22 N ATOM 651 C2 DC B 20 6.958 5.314 -8.021 1.00 0.25 C ATOM 652 O2 DC B 20 7.323 4.177 -8.313 1.00 0.31 O ATOM 653 N3 DC B 20 5.768 5.808 -8.454 1.00 0.26 N ATOM 654 C4 DC B 20 5.377 7.047 -8.132 1.00 0.24 C ATOM 655 N4 DC B 20 4.203 7.496 -8.575 1.00 0.28 N ATOM 656 C5 DC B 20 6.202 7.891 -7.323 1.00 0.22 C ATOM 657 C6 DC B 20 7.377 7.395 -6.900 1.00 0.21 C ATOM 0 H5' DC B 20 9.704 6.579 -2.940 1.00 0.39 H new ATOM 0 H5'' DC B 20 11.293 7.158 -3.399 1.00 0.39 H new ATOM 0 H4' DC B 20 10.873 4.988 -4.357 1.00 0.35 H new ATOM 0 H3' DC B 20 11.779 7.207 -5.843 1.00 0.32 H new ATOM 0 H2' DC B 20 9.871 7.538 -7.182 1.00 0.26 H new ATOM 0 H2'' DC B 20 10.609 6.247 -8.109 1.00 0.26 H new ATOM 0 H1' DC B 20 9.159 4.611 -7.247 1.00 0.26 H new ATOM 0 H41 DC B 20 3.894 8.438 -8.336 1.00 0.28 H new ATOM 0 H42 DC B 20 3.613 6.897 -9.153 1.00 0.28 H new ATOM 0 H5 DC B 20 5.891 8.892 -7.062 1.00 0.22 H new ATOM 0 H6 DC B 20 8.025 8.005 -6.288 1.00 0.21 H new ATOM 669 P DC B 21 13.070 5.449 -7.743 1.00 0.34 P ATOM 670 OP1 DC B 21 14.372 4.785 -7.513 1.00 0.41 O ATOM 671 OP2 DC B 21 13.031 6.863 -8.182 1.00 0.38 O ATOM 672 O5' DC B 21 12.234 4.570 -8.803 1.00 0.30 O ATOM 673 C5' DC B 21 12.233 3.141 -8.720 1.00 0.30 C ATOM 674 C4' DC B 21 11.630 2.501 -9.968 1.00 0.28 C ATOM 675 O4' DC B 21 10.228 2.852 -10.110 1.00 0.27 O ATOM 676 C3' DC B 21 12.347 2.983 -11.224 1.00 0.30 C ATOM 677 O3' DC B 21 12.660 1.886 -12.095 1.00 0.35 O ATOM 678 C2' DC B 21 11.380 3.931 -11.864 1.00 0.30 C ATOM 679 C1' DC B 21 10.020 3.465 -11.401 1.00 0.28 C ATOM 680 N1 DC B 21 9.057 4.589 -11.314 1.00 0.25 N ATOM 681 C2 DC B 21 7.828 4.443 -11.948 1.00 0.25 C ATOM 682 O2 DC B 21 7.563 3.410 -12.560 1.00 0.28 O ATOM 683 N3 DC B 21 6.936 5.469 -11.868 1.00 0.24 N ATOM 684 C4 DC B 21 7.231 6.589 -11.196 1.00 0.25 C ATOM 685 N4 DC B 21 6.334 7.574 -11.139 1.00 0.27 N ATOM 686 C5 DC B 21 8.494 6.743 -10.544 1.00 0.27 C ATOM 687 C6 DC B 21 9.371 5.724 -10.629 1.00 0.26 C ATOM 0 H5' DC B 21 11.668 2.828 -7.842 1.00 0.30 H new ATOM 0 H5'' DC B 21 13.254 2.784 -8.586 1.00 0.30 H new ATOM 0 H4' DC B 21 11.740 1.423 -9.853 1.00 0.28 H new ATOM 0 H3' DC B 21 13.302 3.459 -11.000 1.00 0.30 H new ATOM 0 H2' DC B 21 11.572 4.959 -11.557 1.00 0.30 H new ATOM 0 H2'' DC B 21 11.459 3.903 -12.951 1.00 0.30 H new ATOM 0 H1' DC B 21 9.586 2.760 -12.110 1.00 0.28 H new ATOM 0 H41 DC B 21 6.549 8.431 -10.630 1.00 0.27 H new ATOM 0 H42 DC B 21 5.433 7.470 -11.605 1.00 0.27 H new ATOM 0 H5 DC B 21 8.737 7.645 -10.002 1.00 0.27 H new ATOM 0 H6 DC B 21 10.335 5.808 -10.148 1.00 0.26 H new ATOM 699 P DG B 22 13.340 2.135 -13.538 1.00 0.46 P ATOM 700 OP1 DG B 22 14.314 1.047 -13.783 1.00 0.54 O ATOM 701 OP2 DG B 22 13.780 3.546 -13.614 1.00 0.51 O ATOM 702 O5' DG B 22 12.100 1.938 -14.549 1.00 0.52 O ATOM 703 C5' DG B 22 11.486 0.654 -14.691 1.00 0.56 C ATOM 704 C4' DG B 22 10.491 0.616 -15.849 1.00 0.64 C ATOM 705 O4' DG B 22 9.313 1.389 -15.525 1.00 0.56 O ATOM 706 C3' DG B 22 11.099 1.215 -17.112 1.00 0.72 C ATOM 707 O3' DG B 22 10.770 0.428 -18.261 1.00 0.86 O ATOM 708 C2' DG B 22 10.479 2.578 -17.201 1.00 0.66 C ATOM 709 C1' DG B 22 9.145 2.438 -16.499 1.00 0.58 C ATOM 710 N9 DG B 22 8.766 3.690 -15.834 1.00 0.47 N ATOM 711 C8 DG B 22 9.450 4.396 -14.913 1.00 0.41 C ATOM 712 N7 DG B 22 8.910 5.475 -14.459 1.00 0.35 N ATOM 713 C5 DG B 22 7.703 5.503 -15.163 1.00 0.35 C ATOM 714 C6 DG B 22 6.647 6.446 -15.116 1.00 0.32 C ATOM 715 O6 DG B 22 6.564 7.461 -14.431 1.00 0.32 O ATOM 716 N1 DG B 22 5.618 6.103 -15.982 1.00 0.35 N ATOM 717 C2 DG B 22 5.600 4.987 -16.796 1.00 0.41 C ATOM 718 N2 DG B 22 4.518 4.828 -17.559 1.00 0.45 N ATOM 719 N3 DG B 22 6.592 4.092 -16.846 1.00 0.46 N ATOM 720 C4 DG B 22 7.607 4.409 -16.010 1.00 0.42 C ATOM 0 H5' DG B 22 10.973 0.394 -13.765 1.00 0.56 H new ATOM 0 H5'' DG B 22 12.257 -0.100 -14.851 1.00 0.56 H new ATOM 0 H4' DG B 22 10.232 -0.429 -16.018 1.00 0.64 H new ATOM 0 H3' DG B 22 12.188 1.251 -17.077 1.00 0.72 H new ATOM 0 H2' DG B 22 11.104 3.330 -16.719 1.00 0.66 H new ATOM 0 H2'' DG B 22 10.351 2.888 -18.238 1.00 0.66 H new ATOM 0 HO3' DG B 22 11.169 0.832 -19.060 1.00 0.86 H new ATOM 0 H1' DG B 22 8.353 2.205 -17.211 1.00 0.58 H new ATOM 0 H8 DG B 22 10.419 4.069 -14.566 1.00 0.41 H new ATOM 0 H1 DG B 22 4.810 6.725 -16.020 1.00 0.35 H new ATOM 0 H21 DG B 22 4.447 4.023 -18.181 1.00 0.45 H new ATOM 0 H22 DG B 22 3.762 5.511 -17.520 1.00 0.45 H new TER 733 DG B 22 CONECT 173 352 CONECT 352 173 353 361 373 CONECT 353 352 354 355 374 CONECT 354 353 375 CONECT 355 353 356 357 376 CONECT 356 355 377 CONECT 357 355 358 359 378 CONECT 358 357 379 CONECT 359 357 360 361 CONECT 360 359 362 380 CONECT 361 352 359 364 CONECT 362 360 370 381 CONECT 363 364 368 382 CONECT 364 361 363 370 CONECT 365 366 368 383 CONECT 366 365 367 384 CONECT 367 366 371 385 CONECT 368 363 365 369 CONECT 369 368 371 372 CONECT 370 362 364 372 CONECT 371 367 369 386 CONECT 372 369 370 387 CONECT 373 352 CONECT 374 353 CONECT 375 354 CONECT 376 355 CONECT 377 356 CONECT 378 357 CONECT 379 358 CONECT 380 360 CONECT 381 362 CONECT 382 363 CONECT 383 365 CONECT 384 366 CONECT 385 367 CONECT 386 371 CONECT 387 372 END