USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 263 hydrogens (15 hets) HEADER DNA 02-OCT-02 1MXJ TITLE NMR SOLUTION STRUCTURE OF BENZ[A]ANTHRACENE-DG IN RAS CODON TITLE 2 12,2; GGCAGXTGGTG COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*G)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DNA ADDUCT, B-LIKE DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.-Y.H.KIM,A.S.WILKINSON,C.M.HARRIS,T.M.HARRIS,M.P.STONE REVDAT 2 24-FEB-09 1MXJ 1 VERSN REVDAT 1 11-MAR-03 1MXJ 0 JRNL AUTH H.-Y.H.KIM,A.S.WILKINSON,C.M.HARRIS,T.M.HARRIS, JRNL AUTH 2 M.P.STONE JRNL TITL MINOR GROOVE ORIENTATION FOR THE JRNL TITL 2 (1S,2R,3S,4R)-N2-[1-(1,2,3,4-TETRAHYDRO-2,3,4- JRNL TITL 3 TRIHYDROXY-BENZ[A]ANTHRACENYL)]-2'-DEOXYGUANOSYL JRNL TITL 4 ADDUCT IN THE N-RAS CODON 12 SEQUENCE JRNL REF BIOCHEMISTRY V. 42 2328 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12600200 JRNL DOI 10.1021/BI020462K REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MXJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-OCT-02. REMARK 100 THE RCSB ID CODE IS RCSB017281. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.7 MM DNA, 10 MM SODIUM REMARK 210 PHOSPHATE BUFFER, PH=7.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS, REMARK 210 MATRIX RELAXATION, TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 N2 DG A 6 C9C BZR A 26 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 1 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG A 6 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 6 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 8 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 9 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 9 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DT A 10 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 13 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 16 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 16 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC B 17 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 18 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG B 20 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG B 20 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DC B 22 O4' - C1' - N1 ANGL. DEV. = 2.8 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 BZR A 26 DBREF 1MXJ A 1 11 PDB 1MXJ 1MXJ 1 11 DBREF 1MXJ B 12 22 PDB 1MXJ 1MXJ 12 22 SEQRES 1 A 11 DG DG DC DA DG DG DT DG DG DT DG SEQRES 1 B 11 DC DA DC DC DA DC DC DT DG DC DC HET BZR A 26 36 HETNAM BZR 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL FORMUL 3 BZR C18 H16 O3 LINK N2 DG A 6 C4C BZR A 26 1555 1555 1.32 SITE *** AC1 7 DG A 5 DG A 6 DT A 7 DG A 8 SITE *** AC1 7 DC B 17 DC B 18 DT B 19 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 DG H21 : A 6 DG N2 : A 26 BZR C4C :(H bumps) USER MOD NoAdj-H: A 26 BZRH4C2 : A 26 BZR C4C : A 6 DG N2 :(H bumps) USER MOD NoAdj-H: A 26 BZRH4C1 : A 26 BZR C4C : A 6 DG N2 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.369 (180deg=-0.369) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : A 26 BZR O1 : rot -104:sc= 0.0575 USER MOD Single : A 26 BZR O2 : rot -86:sc= 0.84 USER MOD Single : A 26 BZR O3 : rot -69:sc= -3.29! USER MOD Single : B 12 DC O5' : rot 180:sc= -0.247 USER MOD Single : B 19 DT C7 :methyl -30:sc= -1.09 (180deg=-3.34!) USER MOD Single : B 22 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 2.636 -9.944 2.583 1.00 0.86 O ATOM 2 C5' DG A 1 3.973 -10.342 2.263 1.00 0.90 C ATOM 3 C4' DG A 1 4.979 -9.251 2.615 1.00 0.83 C ATOM 4 O4' DG A 1 4.679 -8.032 1.898 1.00 0.78 O ATOM 5 C3' DG A 1 4.936 -8.943 4.106 1.00 0.78 C ATOM 6 O3' DG A 1 6.245 -9.008 4.677 1.00 0.80 O ATOM 7 C2' DG A 1 4.393 -7.546 4.211 1.00 0.69 C ATOM 8 C1' DG A 1 4.510 -6.944 2.830 1.00 0.69 C ATOM 9 N9 DG A 1 3.326 -6.136 2.511 1.00 0.64 N ATOM 10 C8 DG A 1 2.030 -6.504 2.398 1.00 0.66 C ATOM 11 N7 DG A 1 1.170 -5.583 2.110 1.00 0.63 N ATOM 12 C5 DG A 1 1.989 -4.451 2.017 1.00 0.56 C ATOM 13 C6 DG A 1 1.657 -3.101 1.725 1.00 0.51 C ATOM 14 O6 DG A 1 0.552 -2.620 1.483 1.00 0.51 O ATOM 15 N1 DG A 1 2.783 -2.287 1.734 1.00 0.47 N ATOM 16 C2 DG A 1 4.071 -2.712 1.992 1.00 0.50 C ATOM 17 N2 DG A 1 5.023 -1.782 1.956 1.00 0.51 N ATOM 18 N3 DG A 1 4.390 -3.977 2.266 1.00 0.55 N ATOM 19 C4 DG A 1 3.310 -4.788 2.263 1.00 0.57 C ATOM 0 H5' DG A 1 4.041 -10.572 1.200 1.00 0.90 H new ATOM 0 H5'' DG A 1 4.221 -11.256 2.803 1.00 0.90 H new ATOM 0 H4' DG A 1 5.968 -9.616 2.336 1.00 0.83 H new ATOM 0 H3' DG A 1 4.321 -9.664 4.644 1.00 0.78 H new ATOM 0 H2' DG A 1 3.355 -7.556 4.545 1.00 0.69 H new ATOM 0 H2'' DG A 1 4.957 -6.963 4.939 1.00 0.69 H new ATOM 0 HO5' DG A 1 2.015 -10.663 2.344 1.00 0.86 H new ATOM 0 H1' DG A 1 5.366 -6.271 2.773 1.00 0.69 H new ATOM 0 H8 DG A 1 1.725 -7.530 2.543 1.00 0.66 H new ATOM 0 H1 DG A 1 2.647 -1.296 1.534 1.00 0.47 H new ATOM 0 H21 DG A 1 5.993 -2.038 2.139 1.00 0.51 H new ATOM 0 H22 DG A 1 4.782 -0.813 1.746 1.00 0.51 H new ATOM 32 P DG A 2 6.539 -8.340 6.113 1.00 0.78 P ATOM 33 OP1 DG A 2 7.840 -8.849 6.602 1.00 0.85 O ATOM 34 OP2 DG A 2 5.327 -8.493 6.949 1.00 0.77 O ATOM 35 O5' DG A 2 6.711 -6.777 5.756 1.00 0.70 O ATOM 36 C5' DG A 2 7.600 -6.349 4.718 1.00 0.70 C ATOM 37 C4' DG A 2 7.839 -4.840 4.772 1.00 0.63 C ATOM 38 O4' DG A 2 6.691 -4.113 4.242 1.00 0.57 O ATOM 39 C3' DG A 2 8.035 -4.382 6.217 1.00 0.63 C ATOM 40 O3' DG A 2 9.133 -3.469 6.329 1.00 0.63 O ATOM 41 C2' DG A 2 6.735 -3.713 6.551 1.00 0.56 C ATOM 42 C1' DG A 2 6.261 -3.153 5.232 1.00 0.51 C ATOM 43 N9 DG A 2 4.791 -3.004 5.215 1.00 0.46 N ATOM 44 C8 DG A 2 3.833 -3.931 5.461 1.00 0.48 C ATOM 45 N7 DG A 2 2.601 -3.555 5.382 1.00 0.43 N ATOM 46 C5 DG A 2 2.733 -2.207 5.040 1.00 0.38 C ATOM 47 C6 DG A 2 1.731 -1.230 4.807 1.00 0.33 C ATOM 48 O6 DG A 2 0.512 -1.365 4.857 1.00 0.31 O ATOM 49 N1 DG A 2 2.281 0.004 4.488 1.00 0.32 N ATOM 50 C2 DG A 2 3.630 0.275 4.403 1.00 0.35 C ATOM 51 N2 DG A 2 3.956 1.530 4.081 1.00 0.36 N ATOM 52 N3 DG A 2 4.587 -0.640 4.621 1.00 0.38 N ATOM 53 C4 DG A 2 4.072 -1.856 4.935 1.00 0.40 C ATOM 0 H5' DG A 2 7.184 -6.618 3.747 1.00 0.70 H new ATOM 0 H5'' DG A 2 8.551 -6.873 4.813 1.00 0.70 H new ATOM 0 H4' DG A 2 8.728 -4.634 4.176 1.00 0.63 H new ATOM 0 H3' DG A 2 8.274 -5.203 6.892 1.00 0.63 H new ATOM 0 H2' DG A 2 6.017 -4.421 6.965 1.00 0.56 H new ATOM 0 H2'' DG A 2 6.870 -2.926 7.293 1.00 0.56 H new ATOM 0 H1' DG A 2 6.668 -2.160 5.044 1.00 0.51 H new ATOM 0 H8 DG A 2 4.092 -4.949 5.714 1.00 0.48 H new ATOM 0 H1 DG A 2 1.635 0.771 4.302 1.00 0.32 H new ATOM 0 H21 DG A 2 4.937 1.798 4.001 1.00 0.36 H new ATOM 0 H22 DG A 2 3.224 2.220 3.915 1.00 0.36 H new ATOM 65 P DC A 3 9.544 -2.854 7.760 1.00 0.65 P ATOM 66 OP1 DC A 3 11.016 -2.710 7.797 1.00 0.71 O ATOM 67 OP2 DC A 3 8.851 -3.630 8.813 1.00 0.68 O ATOM 68 O5' DC A 3 8.895 -1.381 7.710 1.00 0.59 O ATOM 69 C5' DC A 3 9.565 -0.315 7.032 1.00 0.57 C ATOM 70 C4' DC A 3 8.765 0.983 7.100 1.00 0.54 C ATOM 71 O4' DC A 3 7.402 0.773 6.638 1.00 0.48 O ATOM 72 C3' DC A 3 8.685 1.494 8.538 1.00 0.57 C ATOM 73 O3' DC A 3 8.934 2.904 8.588 1.00 0.59 O ATOM 74 C2' DC A 3 7.257 1.180 8.942 1.00 0.53 C ATOM 75 C1' DC A 3 6.496 1.271 7.642 1.00 0.46 C ATOM 76 N1 DC A 3 5.266 0.458 7.685 1.00 0.42 N ATOM 77 C2 DC A 3 4.057 1.113 7.528 1.00 0.37 C ATOM 78 O2 DC A 3 4.035 2.329 7.362 1.00 0.38 O ATOM 79 N3 DC A 3 2.913 0.373 7.558 1.00 0.33 N ATOM 80 C4 DC A 3 2.957 -0.954 7.739 1.00 0.35 C ATOM 81 N4 DC A 3 1.818 -1.649 7.767 1.00 0.33 N ATOM 82 C5 DC A 3 4.205 -1.632 7.903 1.00 0.41 C ATOM 83 C6 DC A 3 5.329 -0.891 7.869 1.00 0.44 C ATOM 0 H5' DC A 3 9.726 -0.590 5.990 1.00 0.57 H new ATOM 0 H5'' DC A 3 10.548 -0.161 7.477 1.00 0.57 H new ATOM 0 H4' DC A 3 9.275 1.707 6.465 1.00 0.54 H new ATOM 0 H3' DC A 3 9.423 1.037 9.198 1.00 0.57 H new ATOM 0 H2' DC A 3 7.174 0.188 9.387 1.00 0.53 H new ATOM 0 H2'' DC A 3 6.882 1.892 9.677 1.00 0.53 H new ATOM 0 H1' DC A 3 6.177 2.292 7.435 1.00 0.46 H new ATOM 0 H41 DC A 3 1.840 -2.659 7.904 1.00 0.33 H new ATOM 0 H42 DC A 3 0.925 -1.170 7.651 1.00 0.33 H new ATOM 0 H5 DC A 3 4.245 -2.701 8.049 1.00 0.41 H new ATOM 0 H6 DC A 3 6.289 -1.370 7.989 1.00 0.44 H new ATOM 95 P DA A 4 9.027 3.670 10.000 1.00 0.65 P ATOM 96 OP1 DA A 4 10.116 4.669 9.915 1.00 0.73 O ATOM 97 OP2 DA A 4 9.040 2.656 11.078 1.00 0.69 O ATOM 98 O5' DA A 4 7.625 4.458 10.067 1.00 0.59 O ATOM 99 C5' DA A 4 7.408 5.626 9.271 1.00 0.59 C ATOM 100 C4' DA A 4 6.011 6.196 9.491 1.00 0.54 C ATOM 101 O4' DA A 4 4.996 5.214 9.140 1.00 0.48 O ATOM 102 C3' DA A 4 5.804 6.558 10.962 1.00 0.56 C ATOM 103 O3' DA A 4 5.194 7.847 11.100 1.00 0.56 O ATOM 104 C2' DA A 4 4.907 5.467 11.467 1.00 0.52 C ATOM 105 C1' DA A 4 4.095 5.075 10.254 1.00 0.46 C ATOM 106 N9 DA A 4 3.608 3.687 10.363 1.00 0.42 N ATOM 107 C8 DA A 4 4.307 2.538 10.541 1.00 0.44 C ATOM 108 N7 DA A 4 3.638 1.435 10.600 1.00 0.41 N ATOM 109 C5 DA A 4 2.326 1.894 10.442 1.00 0.36 C ATOM 110 C6 DA A 4 1.091 1.238 10.407 1.00 0.32 C ATOM 111 N6 DA A 4 0.964 -0.084 10.535 1.00 0.31 N ATOM 112 N1 DA A 4 -0.007 1.994 10.236 1.00 0.29 N ATOM 113 C2 DA A 4 0.098 3.319 10.107 1.00 0.31 C ATOM 114 N3 DA A 4 1.214 4.041 10.125 1.00 0.36 N ATOM 115 C4 DA A 4 2.300 3.263 10.297 1.00 0.38 C ATOM 0 H5' DA A 4 7.541 5.380 8.217 1.00 0.59 H new ATOM 0 H5'' DA A 4 8.154 6.381 9.519 1.00 0.59 H new ATOM 0 H4' DA A 4 5.920 7.082 8.862 1.00 0.54 H new ATOM 0 H3' DA A 4 6.739 6.626 11.519 1.00 0.56 H new ATOM 0 H2' DA A 4 5.481 4.625 11.853 1.00 0.52 H new ATOM 0 H2'' DA A 4 4.269 5.817 12.279 1.00 0.52 H new ATOM 0 H1' DA A 4 3.208 5.698 10.145 1.00 0.46 H new ATOM 0 H8 DA A 4 5.383 2.545 10.630 1.00 0.44 H new ATOM 0 H61 DA A 4 0.039 -0.513 10.502 1.00 0.31 H new ATOM 0 H62 DA A 4 1.792 -0.666 10.666 1.00 0.31 H new ATOM 0 H2 DA A 4 -0.825 3.864 9.973 1.00 0.31 H new ATOM 127 P DG A 5 4.985 8.503 12.556 1.00 0.58 P ATOM 128 OP1 DG A 5 5.410 9.920 12.490 1.00 0.63 O ATOM 129 OP2 DG A 5 5.587 7.599 13.562 1.00 0.61 O ATOM 130 O5' DG A 5 3.386 8.466 12.736 1.00 0.53 O ATOM 131 C5' DG A 5 2.529 9.104 11.785 1.00 0.51 C ATOM 132 C4' DG A 5 1.062 8.919 12.149 1.00 0.46 C ATOM 133 O4' DG A 5 0.655 7.543 11.919 1.00 0.43 O ATOM 134 C3' DG A 5 0.832 9.221 13.629 1.00 0.45 C ATOM 135 O3' DG A 5 -0.337 10.026 13.824 1.00 0.43 O ATOM 136 C2' DG A 5 0.664 7.862 14.239 1.00 0.43 C ATOM 137 C1' DG A 5 0.057 7.043 13.128 1.00 0.40 C ATOM 138 N9 DG A 5 0.344 5.608 13.303 1.00 0.39 N ATOM 139 C8 DG A 5 1.532 4.982 13.497 1.00 0.42 C ATOM 140 N7 DG A 5 1.518 3.698 13.622 1.00 0.40 N ATOM 141 C5 DG A 5 0.155 3.415 13.498 1.00 0.36 C ATOM 142 C6 DG A 5 -0.521 2.168 13.545 1.00 0.33 C ATOM 143 O6 DG A 5 -0.044 1.047 13.709 1.00 0.33 O ATOM 144 N1 DG A 5 -1.891 2.323 13.377 1.00 0.30 N ATOM 145 C2 DG A 5 -2.538 3.528 13.186 1.00 0.30 C ATOM 146 N2 DG A 5 -3.862 3.472 13.044 1.00 0.28 N ATOM 147 N3 DG A 5 -1.909 4.707 13.140 1.00 0.32 N ATOM 148 C4 DG A 5 -0.571 4.580 13.302 1.00 0.35 C ATOM 0 H5' DG A 5 2.714 8.693 10.793 1.00 0.51 H new ATOM 0 H5'' DG A 5 2.763 10.168 11.738 1.00 0.51 H new ATOM 0 H4' DG A 5 0.483 9.602 11.528 1.00 0.46 H new ATOM 0 H3' DG A 5 1.648 9.790 14.075 1.00 0.45 H new ATOM 0 H2' DG A 5 1.618 7.449 14.565 1.00 0.43 H new ATOM 0 H2'' DG A 5 0.015 7.893 15.114 1.00 0.43 H new ATOM 0 H1' DG A 5 -1.029 7.132 13.112 1.00 0.40 H new ATOM 0 H8 DG A 5 2.456 5.539 13.545 1.00 0.42 H new ATOM 0 H1 DG A 5 -2.465 1.480 13.396 1.00 0.30 H new ATOM 0 H21 DG A 5 -4.396 4.329 12.900 1.00 0.28 H new ATOM 0 H22 DG A 5 -4.341 2.572 13.079 1.00 0.28 H new ATOM 160 P DG A 6 -0.973 10.195 15.293 1.00 0.43 P ATOM 161 OP1 DG A 6 -1.722 11.471 15.329 1.00 0.43 O ATOM 162 OP2 DG A 6 0.091 9.937 16.289 1.00 0.47 O ATOM 163 O5' DG A 6 -2.031 8.984 15.360 1.00 0.39 O ATOM 164 C5' DG A 6 -3.407 9.199 15.030 1.00 0.35 C ATOM 165 C4' DG A 6 -4.296 8.118 15.620 1.00 0.31 C ATOM 166 O4' DG A 6 -3.774 6.798 15.312 1.00 0.31 O ATOM 167 C3' DG A 6 -4.347 8.245 17.142 1.00 0.33 C ATOM 168 O3' DG A 6 -5.688 8.143 17.635 1.00 0.31 O ATOM 169 C2' DG A 6 -3.510 7.100 17.616 1.00 0.34 C ATOM 170 C1' DG A 6 -3.687 6.058 16.541 1.00 0.31 C ATOM 171 N9 DG A 6 -2.558 5.108 16.529 1.00 0.32 N ATOM 172 C8 DG A 6 -1.224 5.352 16.534 1.00 0.35 C ATOM 173 N7 DG A 6 -0.429 4.336 16.566 1.00 0.36 N ATOM 174 C5 DG A 6 -1.331 3.268 16.582 1.00 0.33 C ATOM 175 C6 DG A 6 -1.084 1.870 16.618 1.00 0.33 C ATOM 176 O6 DG A 6 -0.003 1.280 16.642 1.00 0.34 O ATOM 177 N1 DG A 6 -2.266 1.147 16.623 1.00 0.31 N ATOM 178 C2 DG A 6 -3.536 1.689 16.595 1.00 0.29 C ATOM 179 N2 DG A 6 -4.532 0.805 16.571 1.00 0.28 N ATOM 180 N3 DG A 6 -3.783 3.003 16.562 1.00 0.29 N ATOM 181 C4 DG A 6 -2.640 3.733 16.557 1.00 0.31 C ATOM 0 H5' DG A 6 -3.524 9.217 13.946 1.00 0.35 H new ATOM 0 H5'' DG A 6 -3.723 10.174 15.401 1.00 0.35 H new ATOM 0 H4' DG A 6 -5.289 8.242 15.189 1.00 0.31 H new ATOM 0 H3' DG A 6 -3.986 9.212 17.494 1.00 0.33 H new ATOM 0 H2' DG A 6 -2.464 7.387 17.727 1.00 0.34 H new ATOM 0 H2'' DG A 6 -3.845 6.734 18.587 1.00 0.34 H new ATOM 0 H1' DG A 6 -4.577 5.450 16.704 1.00 0.31 H new ATOM 0 H8 DG A 6 -0.840 6.361 16.512 1.00 0.35 H new ATOM 0 H1 DG A 6 -2.192 0.130 16.650 1.00 0.31 H new ATOM 0 H22 DG A 6 -4.327 -0.194 16.574 1.00 0.28 H new ATOM 192 P DT A 7 -5.964 8.013 19.217 1.00 0.34 P ATOM 193 OP1 DT A 7 -7.256 8.671 19.517 1.00 0.36 O ATOM 194 OP2 DT A 7 -4.740 8.430 19.937 1.00 0.37 O ATOM 195 O5' DT A 7 -6.149 6.426 19.416 1.00 0.32 O ATOM 196 C5' DT A 7 -7.374 5.788 19.047 1.00 0.31 C ATOM 197 C4' DT A 7 -7.430 4.342 19.531 1.00 0.30 C ATOM 198 O4' DT A 7 -6.206 3.629 19.200 1.00 0.29 O ATOM 199 C3' DT A 7 -7.591 4.279 21.050 1.00 0.31 C ATOM 200 O3' DT A 7 -8.623 3.361 21.422 1.00 0.31 O ATOM 201 C2' DT A 7 -6.246 3.817 21.533 1.00 0.31 C ATOM 202 C1' DT A 7 -5.729 2.974 20.392 1.00 0.29 C ATOM 203 N1 DT A 7 -4.253 2.869 20.384 1.00 0.29 N ATOM 204 C2 DT A 7 -3.722 1.596 20.444 1.00 0.29 C ATOM 205 O2 DT A 7 -4.431 0.595 20.507 1.00 0.30 O ATOM 206 N3 DT A 7 -2.344 1.508 20.415 1.00 0.29 N ATOM 207 C4 DT A 7 -1.460 2.567 20.329 1.00 0.30 C ATOM 208 O4 DT A 7 -0.248 2.369 20.327 1.00 0.30 O ATOM 209 C5 DT A 7 -2.098 3.863 20.265 1.00 0.31 C ATOM 210 C7 DT A 7 -1.226 5.117 20.188 1.00 0.34 C ATOM 211 C6 DT A 7 -3.447 3.977 20.297 1.00 0.31 C ATOM 0 H5' DT A 7 -7.484 5.813 17.963 1.00 0.31 H new ATOM 0 H5'' DT A 7 -8.213 6.344 19.465 1.00 0.31 H new ATOM 0 H4' DT A 7 -8.284 3.882 19.035 1.00 0.30 H new ATOM 0 H3' DT A 7 -7.885 5.235 21.484 1.00 0.31 H new ATOM 0 H2' DT A 7 -5.585 4.658 21.742 1.00 0.31 H new ATOM 0 H2'' DT A 7 -6.327 3.239 22.454 1.00 0.31 H new ATOM 0 H1' DT A 7 -6.083 1.946 20.476 1.00 0.29 H new ATOM 0 H3 DT A 7 -1.940 0.572 20.461 1.00 0.29 H new ATOM 0 H71 DT A 7 -1.755 5.895 19.637 1.00 0.34 H new ATOM 0 H72 DT A 7 -1.008 5.471 21.196 1.00 0.34 H new ATOM 0 H73 DT A 7 -0.293 4.880 19.677 1.00 0.34 H new ATOM 0 H6 DT A 7 -3.897 4.958 20.253 1.00 0.31 H new ATOM 224 P DG A 8 -8.925 3.056 22.972 1.00 0.32 P ATOM 225 OP1 DG A 8 -10.392 3.029 23.164 1.00 0.37 O ATOM 226 OP2 DG A 8 -8.090 3.963 23.792 1.00 0.35 O ATOM 227 O5' DG A 8 -8.364 1.558 23.151 1.00 0.30 O ATOM 228 C5' DG A 8 -8.943 0.469 22.425 1.00 0.33 C ATOM 229 C4' DG A 8 -8.373 -0.866 22.890 1.00 0.29 C ATOM 230 O4' DG A 8 -6.968 -0.977 22.526 1.00 0.28 O ATOM 231 C3' DG A 8 -8.458 -0.975 24.411 1.00 0.25 C ATOM 232 O3' DG A 8 -8.921 -2.271 24.807 1.00 0.27 O ATOM 233 C2' DG A 8 -7.046 -0.730 24.852 1.00 0.22 C ATOM 234 C1' DG A 8 -6.212 -1.265 23.717 1.00 0.23 C ATOM 235 N9 DG A 8 -4.902 -0.598 23.680 1.00 0.23 N ATOM 236 C8 DG A 8 -4.620 0.718 23.771 1.00 0.23 C ATOM 237 N7 DG A 8 -3.380 1.073 23.712 1.00 0.24 N ATOM 238 C5 DG A 8 -2.741 -0.161 23.561 1.00 0.24 C ATOM 239 C6 DG A 8 -1.358 -0.460 23.435 1.00 0.26 C ATOM 240 O6 DG A 8 -0.406 0.318 23.430 1.00 0.29 O ATOM 241 N1 DG A 8 -1.142 -1.825 23.305 1.00 0.25 N ATOM 242 C2 DG A 8 -2.129 -2.791 23.294 1.00 0.23 C ATOM 243 N2 DG A 8 -1.720 -4.052 23.159 1.00 0.24 N ATOM 244 N3 DG A 8 -3.433 -2.519 23.412 1.00 0.22 N ATOM 245 C4 DG A 8 -3.669 -1.193 23.541 1.00 0.23 C ATOM 0 H5' DG A 8 -8.754 0.597 21.359 1.00 0.33 H new ATOM 0 H5'' DG A 8 -10.025 0.473 22.559 1.00 0.33 H new ATOM 0 H4' DG A 8 -8.954 -1.655 22.412 1.00 0.29 H new ATOM 0 H3' DG A 8 -9.164 -0.273 24.856 1.00 0.25 H new ATOM 0 H2' DG A 8 -6.859 0.331 25.020 1.00 0.22 H new ATOM 0 H2'' DG A 8 -6.825 -1.245 25.787 1.00 0.22 H new ATOM 0 H1' DG A 8 -6.013 -2.332 23.822 1.00 0.23 H new ATOM 0 H8 DG A 8 -5.405 1.450 23.889 1.00 0.23 H new ATOM 0 H1 DG A 8 -0.177 -2.140 23.210 1.00 0.25 H new ATOM 0 H21 DG A 8 -2.402 -4.810 23.144 1.00 0.24 H new ATOM 0 H22 DG A 8 -0.725 -4.259 23.071 1.00 0.24 H new ATOM 257 P DG A 9 -8.715 -2.797 26.314 1.00 0.28 P ATOM 258 OP1 DG A 9 -9.771 -3.792 26.606 1.00 0.33 O ATOM 259 OP2 DG A 9 -8.545 -1.621 27.196 1.00 0.25 O ATOM 260 O5' DG A 9 -7.305 -3.568 26.223 1.00 0.28 O ATOM 261 C5' DG A 9 -7.255 -4.974 25.962 1.00 0.32 C ATOM 262 C4' DG A 9 -6.031 -5.609 26.611 1.00 0.31 C ATOM 263 O4' DG A 9 -4.815 -4.931 26.190 1.00 0.28 O ATOM 264 C3' DG A 9 -6.113 -5.506 28.126 1.00 0.32 C ATOM 265 O3' DG A 9 -5.777 -6.751 28.748 1.00 0.39 O ATOM 266 C2' DG A 9 -5.116 -4.447 28.450 1.00 0.27 C ATOM 267 C1' DG A 9 -4.078 -4.568 27.368 1.00 0.25 C ATOM 268 N9 DG A 9 -3.380 -3.287 27.188 1.00 0.20 N ATOM 269 C8 DG A 9 -3.890 -2.038 27.204 1.00 0.19 C ATOM 270 N7 DG A 9 -3.074 -1.054 27.026 1.00 0.19 N ATOM 271 C5 DG A 9 -1.855 -1.722 26.869 1.00 0.20 C ATOM 272 C6 DG A 9 -0.555 -1.200 26.639 1.00 0.24 C ATOM 273 O6 DG A 9 -0.213 -0.025 26.523 1.00 0.27 O ATOM 274 N1 DG A 9 0.390 -2.212 26.543 1.00 0.26 N ATOM 275 C2 DG A 9 0.125 -3.563 26.654 1.00 0.26 C ATOM 276 N2 DG A 9 1.170 -4.382 26.533 1.00 0.30 N ATOM 277 N3 DG A 9 -1.096 -4.063 26.871 1.00 0.24 N ATOM 278 C4 DG A 9 -2.035 -3.094 26.968 1.00 0.21 C ATOM 0 H5' DG A 9 -7.231 -5.147 24.886 1.00 0.32 H new ATOM 0 H5'' DG A 9 -8.159 -5.450 26.341 1.00 0.32 H new ATOM 0 H4' DG A 9 -6.008 -6.654 26.302 1.00 0.31 H new ATOM 0 H3' DG A 9 -7.114 -5.269 28.486 1.00 0.32 H new ATOM 0 H2' DG A 9 -5.574 -3.458 28.453 1.00 0.27 H new ATOM 0 H2'' DG A 9 -4.681 -4.600 29.437 1.00 0.27 H new ATOM 0 H1' DG A 9 -3.310 -5.305 27.603 1.00 0.25 H new ATOM 0 H8 DG A 9 -4.945 -1.867 27.360 1.00 0.19 H new ATOM 0 H1 DG A 9 1.358 -1.936 26.377 1.00 0.26 H new ATOM 0 H21 DG A 9 1.038 -5.391 26.606 1.00 0.30 H new ATOM 0 H22 DG A 9 2.101 -4.000 26.368 1.00 0.30 H new ATOM 290 P DT A 10 -5.899 -6.935 30.342 1.00 0.46 P ATOM 291 OP1 DT A 10 -6.777 -8.096 30.609 1.00 0.53 O ATOM 292 OP2 DT A 10 -6.215 -5.617 30.939 1.00 0.46 O ATOM 293 O5' DT A 10 -4.396 -7.329 30.762 1.00 0.47 O ATOM 294 C5' DT A 10 -3.513 -7.937 29.815 1.00 0.50 C ATOM 295 C4' DT A 10 -2.050 -7.720 30.196 1.00 0.55 C ATOM 296 O4' DT A 10 -1.524 -6.512 29.575 1.00 0.47 O ATOM 297 C3' DT A 10 -1.902 -7.549 31.708 1.00 0.63 C ATOM 298 O3' DT A 10 -0.826 -8.348 32.214 1.00 0.76 O ATOM 299 C2' DT A 10 -1.619 -6.084 31.873 1.00 0.57 C ATOM 300 C1' DT A 10 -0.903 -5.710 30.599 1.00 0.49 C ATOM 301 N1 DT A 10 -1.040 -4.269 30.310 1.00 0.39 N ATOM 302 C2 DT A 10 0.079 -3.604 29.845 1.00 0.40 C ATOM 303 O2 DT A 10 1.154 -4.174 29.669 1.00 0.49 O ATOM 304 N3 DT A 10 -0.083 -2.257 29.580 1.00 0.33 N ATOM 305 C4 DT A 10 -1.250 -1.531 29.737 1.00 0.27 C ATOM 306 O4 DT A 10 -1.278 -0.329 29.485 1.00 0.27 O ATOM 307 C5 DT A 10 -2.366 -2.309 30.222 1.00 0.28 C ATOM 308 C7 DT A 10 -3.709 -1.627 30.459 1.00 0.30 C ATOM 309 C6 DT A 10 -2.233 -3.623 30.492 1.00 0.33 C ATOM 0 H5' DT A 10 -3.698 -7.521 28.824 1.00 0.50 H new ATOM 0 H5'' DT A 10 -3.720 -9.005 29.756 1.00 0.50 H new ATOM 0 H4' DT A 10 -1.501 -8.597 29.852 1.00 0.55 H new ATOM 0 H3' DT A 10 -2.786 -7.870 32.259 1.00 0.63 H new ATOM 0 H2' DT A 10 -2.538 -5.511 31.999 1.00 0.57 H new ATOM 0 H2'' DT A 10 -1.001 -5.892 32.750 1.00 0.57 H new ATOM 0 H1' DT A 10 0.169 -5.895 30.665 1.00 0.49 H new ATOM 0 H3 DT A 10 0.734 -1.751 29.237 1.00 0.33 H new ATOM 0 H71 DT A 10 -4.514 -2.343 30.297 1.00 0.30 H new ATOM 0 H72 DT A 10 -3.753 -1.257 31.483 1.00 0.30 H new ATOM 0 H73 DT A 10 -3.821 -0.793 29.767 1.00 0.30 H new ATOM 0 H6 DT A 10 -3.084 -4.177 30.859 1.00 0.33 H new ATOM 322 P DG A 11 -0.413 -8.277 33.769 1.00 0.89 P ATOM 323 OP1 DG A 11 -0.026 -9.637 34.208 1.00 1.01 O ATOM 324 OP2 DG A 11 -1.469 -7.539 34.496 1.00 0.89 O ATOM 325 O5' DG A 11 0.912 -7.363 33.739 1.00 0.93 O ATOM 326 C5' DG A 11 2.185 -7.944 33.448 1.00 1.03 C ATOM 327 C4' DG A 11 3.330 -7.035 33.886 1.00 1.06 C ATOM 328 O4' DG A 11 3.321 -5.801 33.131 1.00 0.92 O ATOM 329 C3' DG A 11 3.204 -6.688 35.364 1.00 1.15 C ATOM 330 O3' DG A 11 4.395 -7.051 36.073 1.00 1.29 O ATOM 331 C2' DG A 11 2.988 -5.196 35.414 1.00 1.03 C ATOM 332 C1' DG A 11 3.305 -4.671 34.027 1.00 0.89 C ATOM 333 N9 DG A 11 2.325 -3.652 33.598 1.00 0.75 N ATOM 334 C8 DG A 11 0.974 -3.724 33.502 1.00 0.72 C ATOM 335 N7 DG A 11 0.345 -2.671 33.095 1.00 0.61 N ATOM 336 C5 DG A 11 1.397 -1.773 32.889 1.00 0.57 C ATOM 337 C6 DG A 11 1.370 -0.425 32.437 1.00 0.51 C ATOM 338 O6 DG A 11 0.396 0.259 32.123 1.00 0.49 O ATOM 339 N1 DG A 11 2.648 0.115 32.370 1.00 0.53 N ATOM 340 C2 DG A 11 3.812 -0.553 32.696 1.00 0.60 C ATOM 341 N2 DG A 11 4.945 0.137 32.566 1.00 0.64 N ATOM 342 N3 DG A 11 3.846 -1.819 33.121 1.00 0.67 N ATOM 343 C4 DG A 11 2.612 -2.367 33.195 1.00 0.66 C ATOM 0 H5' DG A 11 2.262 -8.137 32.378 1.00 1.03 H new ATOM 0 H5'' DG A 11 2.270 -8.907 33.952 1.00 1.03 H new ATOM 0 H4' DG A 11 4.261 -7.573 33.707 1.00 1.06 H new ATOM 0 H3' DG A 11 2.383 -7.229 35.835 1.00 1.15 H new ATOM 0 H2' DG A 11 1.961 -4.961 35.693 1.00 1.03 H new ATOM 0 H2'' DG A 11 3.634 -4.735 36.161 1.00 1.03 H new ATOM 0 HO3' DG A 11 4.296 -6.819 37.020 1.00 1.29 H new ATOM 0 H1' DG A 11 4.276 -4.175 34.024 1.00 0.89 H new ATOM 0 H8 DG A 11 0.443 -4.629 33.757 1.00 0.72 H new ATOM 0 H1 DG A 11 2.734 1.081 32.055 1.00 0.53 H new ATOM 0 H21 DG A 11 5.838 -0.302 32.791 1.00 0.64 H new ATOM 0 H22 DG A 11 4.919 1.104 32.241 1.00 0.64 H new TER 356 DG A 11 ATOM 357 O5' DC B 12 3.508 8.537 32.232 1.00 0.98 O ATOM 358 C5' DC B 12 4.774 8.605 32.896 1.00 0.97 C ATOM 359 C4' DC B 12 5.673 7.439 32.499 1.00 0.88 C ATOM 360 O4' DC B 12 5.067 6.180 32.869 1.00 0.83 O ATOM 361 C3' DC B 12 5.902 7.432 30.994 1.00 0.85 C ATOM 362 O3' DC B 12 7.303 7.442 30.694 1.00 0.85 O ATOM 363 C2' DC B 12 5.257 6.169 30.487 1.00 0.77 C ATOM 364 C1' DC B 12 4.909 5.339 31.708 1.00 0.74 C ATOM 365 N1 DC B 12 3.537 4.807 31.620 1.00 0.70 N ATOM 366 C2 DC B 12 3.388 3.436 31.729 1.00 0.62 C ATOM 367 O2 DC B 12 4.373 2.722 31.889 1.00 0.62 O ATOM 368 N3 DC B 12 2.136 2.913 31.653 1.00 0.59 N ATOM 369 C4 DC B 12 1.070 3.702 31.476 1.00 0.64 C ATOM 370 N4 DC B 12 -0.142 3.150 31.408 1.00 0.62 N ATOM 371 C5 DC B 12 1.216 5.122 31.363 1.00 0.74 C ATOM 372 C6 DC B 12 2.463 5.631 31.439 1.00 0.76 C ATOM 0 H5' DC B 12 4.621 8.598 33.975 1.00 0.97 H new ATOM 0 H5'' DC B 12 5.266 9.546 32.650 1.00 0.97 H new ATOM 0 H4' DC B 12 6.622 7.562 33.021 1.00 0.88 H new ATOM 0 H3' DC B 12 5.475 8.316 30.521 1.00 0.85 H new ATOM 0 H2' DC B 12 4.363 6.397 29.906 1.00 0.77 H new ATOM 0 H2'' DC B 12 5.935 5.625 29.829 1.00 0.77 H new ATOM 0 HO5' DC B 12 2.953 9.296 32.508 1.00 0.98 H new ATOM 0 H1' DC B 12 5.572 4.477 31.775 1.00 0.74 H new ATOM 0 H41 DC B 12 -0.964 3.739 31.273 1.00 0.62 H new ATOM 0 H42 DC B 12 -0.247 2.139 31.491 1.00 0.62 H new ATOM 0 H5 DC B 12 0.358 5.763 31.222 1.00 0.74 H new ATOM 0 H6 DC B 12 2.613 6.697 31.356 1.00 0.76 H new ATOM 385 P DA B 13 7.838 6.973 29.249 1.00 0.86 P ATOM 386 OP1 DA B 13 9.244 7.414 29.111 1.00 0.92 O ATOM 387 OP2 DA B 13 6.838 7.372 28.234 1.00 0.89 O ATOM 388 O5' DA B 13 7.824 5.365 29.364 1.00 0.77 O ATOM 389 C5' DA B 13 8.500 4.697 30.434 1.00 0.77 C ATOM 390 C4' DA B 13 8.472 3.186 30.252 1.00 0.73 C ATOM 391 O4' DA B 13 7.125 2.686 30.460 1.00 0.67 O ATOM 392 C3' DA B 13 8.888 2.800 28.833 1.00 0.73 C ATOM 393 O3' DA B 13 9.794 1.688 28.840 1.00 0.75 O ATOM 394 C2' DA B 13 7.591 2.441 28.178 1.00 0.68 C ATOM 395 C1' DA B 13 6.750 1.908 29.312 1.00 0.63 C ATOM 396 N9 DA B 13 5.312 2.058 29.028 1.00 0.58 N ATOM 397 C8 DA B 13 4.630 3.143 28.589 1.00 0.59 C ATOM 398 N7 DA B 13 3.356 3.021 28.425 1.00 0.55 N ATOM 399 C5 DA B 13 3.151 1.689 28.798 1.00 0.48 C ATOM 400 C6 DA B 13 2.006 0.890 28.860 1.00 0.42 C ATOM 401 N6 DA B 13 0.793 1.333 28.531 1.00 0.40 N ATOM 402 N1 DA B 13 2.160 -0.382 29.272 1.00 0.40 N ATOM 403 C2 DA B 13 3.369 -0.842 29.604 1.00 0.45 C ATOM 404 N3 DA B 13 4.517 -0.172 29.582 1.00 0.50 N ATOM 405 C4 DA B 13 4.337 1.097 29.167 1.00 0.51 C ATOM 0 H5' DA B 13 8.031 4.959 31.382 1.00 0.77 H new ATOM 0 H5'' DA B 13 9.533 5.040 30.484 1.00 0.77 H new ATOM 0 H4' DA B 13 9.165 2.756 30.976 1.00 0.73 H new ATOM 0 H3' DA B 13 9.419 3.598 28.314 1.00 0.73 H new ATOM 0 H2' DA B 13 7.126 3.308 27.709 1.00 0.68 H new ATOM 0 H2'' DA B 13 7.731 1.693 27.398 1.00 0.68 H new ATOM 0 H1' DA B 13 6.919 0.842 29.467 1.00 0.63 H new ATOM 0 H8 DA B 13 5.134 4.076 28.384 1.00 0.59 H new ATOM 0 H61 DA B 13 -0.012 0.710 28.593 1.00 0.40 H new ATOM 0 H62 DA B 13 0.670 2.295 28.217 1.00 0.40 H new ATOM 0 H2 DA B 13 3.420 -1.872 29.926 1.00 0.45 H new ATOM 417 P DC B 14 10.098 0.872 27.485 1.00 0.78 P ATOM 418 OP1 DC B 14 11.413 0.209 27.629 1.00 0.85 O ATOM 419 OP2 DC B 14 9.847 1.771 26.337 1.00 0.81 O ATOM 420 O5' DC B 14 8.959 -0.266 27.491 1.00 0.69 O ATOM 421 C5' DC B 14 9.228 -1.571 28.017 1.00 0.67 C ATOM 422 C4' DC B 14 8.360 -2.628 27.340 1.00 0.59 C ATOM 423 O4' DC B 14 6.948 -2.332 27.542 1.00 0.53 O ATOM 424 C3' DC B 14 8.610 -2.637 25.829 1.00 0.59 C ATOM 425 O3' DC B 14 8.732 -3.972 25.328 1.00 0.58 O ATOM 426 C2' DC B 14 7.399 -1.956 25.278 1.00 0.55 C ATOM 427 C1' DC B 14 6.310 -2.311 26.253 1.00 0.49 C ATOM 428 N1 DC B 14 5.229 -1.326 26.173 1.00 0.46 N ATOM 429 C2 DC B 14 3.931 -1.767 26.371 1.00 0.39 C ATOM 430 O2 DC B 14 3.709 -2.948 26.623 1.00 0.36 O ATOM 431 N3 DC B 14 2.924 -0.858 26.268 1.00 0.37 N ATOM 432 C4 DC B 14 3.186 0.424 25.983 1.00 0.42 C ATOM 433 N4 DC B 14 2.180 1.294 25.892 1.00 0.41 N ATOM 434 C5 DC B 14 4.531 0.867 25.779 1.00 0.49 C ATOM 435 C6 DC B 14 5.506 -0.030 25.884 1.00 0.50 C ATOM 0 H5' DC B 14 9.043 -1.578 29.091 1.00 0.67 H new ATOM 0 H5'' DC B 14 10.281 -1.814 27.873 1.00 0.67 H new ATOM 0 H4' DC B 14 8.617 -3.592 27.778 1.00 0.59 H new ATOM 0 H3' DC B 14 9.540 -2.143 25.548 1.00 0.59 H new ATOM 0 H2' DC B 14 7.542 -0.877 25.214 1.00 0.55 H new ATOM 0 H2'' DC B 14 7.166 -2.307 24.273 1.00 0.55 H new ATOM 0 H1' DC B 14 5.847 -3.275 26.044 1.00 0.49 H new ATOM 0 H41 DC B 14 2.370 2.272 25.675 1.00 0.41 H new ATOM 0 H42 DC B 14 1.220 0.981 26.039 1.00 0.41 H new ATOM 0 H5 DC B 14 4.747 1.899 25.547 1.00 0.49 H new ATOM 0 H6 DC B 14 6.531 0.277 25.737 1.00 0.50 H new ATOM 447 P DC B 15 8.706 -4.253 23.744 1.00 0.59 P ATOM 448 OP1 DC B 15 9.747 -5.258 23.434 1.00 0.64 O ATOM 449 OP2 DC B 15 8.704 -2.950 23.041 1.00 0.62 O ATOM 450 O5' DC B 15 7.266 -4.939 23.535 1.00 0.53 O ATOM 451 C5' DC B 15 6.979 -6.212 24.120 1.00 0.51 C ATOM 452 C4' DC B 15 5.496 -6.534 24.060 1.00 0.45 C ATOM 453 O4' DC B 15 4.702 -5.388 24.465 1.00 0.42 O ATOM 454 C3' DC B 15 5.086 -6.889 22.632 1.00 0.45 C ATOM 455 O3' DC B 15 4.270 -8.065 22.608 1.00 0.44 O ATOM 456 C2' DC B 15 4.322 -5.683 22.176 1.00 0.42 C ATOM 457 C1' DC B 15 3.717 -5.147 23.446 1.00 0.39 C ATOM 458 N1 DC B 15 3.404 -3.713 23.330 1.00 0.38 N ATOM 459 C2 DC B 15 2.067 -3.356 23.270 1.00 0.34 C ATOM 460 O2 DC B 15 1.194 -4.219 23.308 1.00 0.31 O ATOM 461 N3 DC B 15 1.756 -2.036 23.165 1.00 0.34 N ATOM 462 C4 DC B 15 2.715 -1.104 23.122 1.00 0.39 C ATOM 463 N4 DC B 15 2.371 0.180 23.020 1.00 0.40 N ATOM 464 C5 DC B 15 4.098 -1.466 23.185 1.00 0.44 C ATOM 465 C6 DC B 15 4.397 -2.777 23.288 1.00 0.43 C ATOM 0 H5' DC B 15 7.312 -6.219 25.158 1.00 0.51 H new ATOM 0 H5'' DC B 15 7.541 -6.987 23.600 1.00 0.51 H new ATOM 0 H4' DC B 15 5.320 -7.373 24.733 1.00 0.45 H new ATOM 0 H3' DC B 15 5.936 -7.115 21.989 1.00 0.45 H new ATOM 0 H2' DC B 15 4.975 -4.950 21.702 1.00 0.42 H new ATOM 0 H2'' DC B 15 3.556 -5.946 21.447 1.00 0.42 H new ATOM 0 H1' DC B 15 2.770 -5.635 23.677 1.00 0.39 H new ATOM 0 H41 DC B 15 3.093 0.900 22.986 1.00 0.40 H new ATOM 0 H42 DC B 15 1.386 0.442 22.976 1.00 0.40 H new ATOM 0 H5 DC B 15 4.875 -0.716 23.151 1.00 0.44 H new ATOM 0 H6 DC B 15 5.430 -3.089 23.338 1.00 0.43 H new ATOM 477 P DA B 16 3.806 -8.714 21.210 1.00 0.43 P ATOM 478 OP1 DA B 16 3.823 -10.187 21.355 1.00 0.47 O ATOM 479 OP2 DA B 16 4.576 -8.071 20.122 1.00 0.46 O ATOM 480 O5' DA B 16 2.274 -8.237 21.094 1.00 0.39 O ATOM 481 C5' DA B 16 1.259 -8.850 21.895 1.00 0.39 C ATOM 482 C4' DA B 16 -0.108 -8.225 21.637 1.00 0.36 C ATOM 483 O4' DA B 16 -0.069 -6.789 21.862 1.00 0.34 O ATOM 484 C3' DA B 16 -0.535 -8.445 20.186 1.00 0.35 C ATOM 485 O3' DA B 16 -1.897 -8.881 20.107 1.00 0.35 O ATOM 486 C2' DA B 16 -0.355 -7.094 19.557 1.00 0.34 C ATOM 487 C1' DA B 16 -0.601 -6.134 20.695 1.00 0.33 C ATOM 488 N9 DA B 16 0.075 -4.844 20.465 1.00 0.32 N ATOM 489 C8 DA B 16 1.381 -4.586 20.212 1.00 0.32 C ATOM 490 N7 DA B 16 1.726 -3.351 20.054 1.00 0.32 N ATOM 491 C5 DA B 16 0.502 -2.695 20.219 1.00 0.30 C ATOM 492 C6 DA B 16 0.138 -1.345 20.177 1.00 0.30 C ATOM 493 N6 DA B 16 1.008 -0.362 19.944 1.00 0.30 N ATOM 494 N1 DA B 16 -1.157 -1.047 20.385 1.00 0.29 N ATOM 495 C2 DA B 16 -2.044 -2.016 20.618 1.00 0.29 C ATOM 496 N3 DA B 16 -1.809 -3.322 20.679 1.00 0.29 N ATOM 497 C4 DA B 16 -0.507 -3.596 20.469 1.00 0.30 C ATOM 0 H5' DA B 16 1.514 -8.747 22.950 1.00 0.39 H new ATOM 0 H5'' DA B 16 1.219 -9.918 21.679 1.00 0.39 H new ATOM 0 H4' DA B 16 -0.812 -8.699 22.321 1.00 0.36 H new ATOM 0 H3' DA B 16 0.044 -9.222 19.687 1.00 0.35 H new ATOM 0 H2' DA B 16 0.646 -6.975 19.142 1.00 0.34 H new ATOM 0 H2'' DA B 16 -1.059 -6.936 18.740 1.00 0.34 H new ATOM 0 H1' DA B 16 -1.661 -5.903 20.802 1.00 0.33 H new ATOM 0 H8 DA B 16 2.107 -5.383 20.145 1.00 0.32 H new ATOM 0 H61 DA B 16 0.690 0.607 19.924 1.00 0.30 H new ATOM 0 H62 DA B 16 1.992 -0.579 19.786 1.00 0.30 H new ATOM 0 H2 DA B 16 -3.066 -1.704 20.774 1.00 0.29 H new ATOM 509 P DC B 17 -2.544 -9.295 18.693 1.00 0.35 P ATOM 510 OP1 DC B 17 -3.604 -10.296 18.943 1.00 0.37 O ATOM 511 OP2 DC B 17 -1.443 -9.606 17.753 1.00 0.35 O ATOM 512 O5' DC B 17 -3.244 -7.929 18.212 1.00 0.36 O ATOM 513 C5' DC B 17 -4.489 -7.511 18.778 1.00 0.38 C ATOM 514 C4' DC B 17 -5.013 -6.250 18.099 1.00 0.35 C ATOM 515 O4' DC B 17 -4.104 -5.147 18.299 1.00 0.35 O ATOM 516 C3' DC B 17 -5.133 -6.461 16.591 1.00 0.33 C ATOM 517 O3' DC B 17 -6.490 -6.236 16.180 1.00 0.32 O ATOM 518 C2' DC B 17 -4.200 -5.426 15.978 1.00 0.31 C ATOM 519 C1' DC B 17 -4.014 -4.406 17.070 1.00 0.32 C ATOM 520 N1 DC B 17 -2.711 -3.726 16.968 1.00 0.31 N ATOM 521 C2 DC B 17 -2.725 -2.357 16.793 1.00 0.30 C ATOM 522 O2 DC B 17 -3.793 -1.762 16.717 1.00 0.30 O ATOM 523 N3 DC B 17 -1.537 -1.702 16.710 1.00 0.31 N ATOM 524 C4 DC B 17 -0.378 -2.366 16.796 1.00 0.32 C ATOM 525 N4 DC B 17 0.767 -1.685 16.708 1.00 0.33 N ATOM 526 C5 DC B 17 -0.357 -3.788 16.978 1.00 0.33 C ATOM 527 C6 DC B 17 -1.547 -4.423 17.057 1.00 0.32 C ATOM 0 H5' DC B 17 -4.362 -7.326 19.845 1.00 0.38 H new ATOM 0 H5'' DC B 17 -5.222 -8.311 18.679 1.00 0.38 H new ATOM 0 H4' DC B 17 -5.987 -6.032 18.538 1.00 0.35 H new ATOM 0 H3' DC B 17 -4.870 -7.472 16.281 1.00 0.33 H new ATOM 0 H2' DC B 17 -3.250 -5.871 15.683 1.00 0.31 H new ATOM 0 H2'' DC B 17 -4.634 -4.978 15.084 1.00 0.31 H new ATOM 0 H1' DC B 17 -4.765 -3.619 17.005 1.00 0.32 H new ATOM 0 H41 DC B 17 1.659 -2.176 16.772 1.00 0.33 H new ATOM 0 H42 DC B 17 0.750 -0.674 16.577 1.00 0.33 H new ATOM 0 H5 DC B 17 0.574 -4.331 17.049 1.00 0.33 H new ATOM 0 H6 DC B 17 -1.574 -5.494 17.192 1.00 0.32 H new ATOM 539 P DC B 18 -6.876 -6.073 14.626 1.00 0.31 P ATOM 540 OP1 DC B 18 -8.225 -6.645 14.422 1.00 0.33 O ATOM 541 OP2 DC B 18 -5.738 -6.557 13.813 1.00 0.31 O ATOM 542 O5' DC B 18 -6.975 -4.474 14.453 1.00 0.29 O ATOM 543 C5' DC B 18 -8.139 -3.751 14.875 1.00 0.30 C ATOM 544 C4' DC B 18 -8.267 -2.436 14.118 1.00 0.28 C ATOM 545 O4' DC B 18 -7.116 -1.590 14.379 1.00 0.27 O ATOM 546 C3' DC B 18 -8.306 -2.697 12.617 1.00 0.26 C ATOM 547 O3' DC B 18 -9.255 -1.848 11.962 1.00 0.26 O ATOM 548 C2' DC B 18 -6.910 -2.395 12.173 1.00 0.25 C ATOM 549 C1' DC B 18 -6.425 -1.338 13.137 1.00 0.25 C ATOM 550 N1 DC B 18 -4.969 -1.441 13.316 1.00 0.26 N ATOM 551 C2 DC B 18 -4.233 -0.269 13.310 1.00 0.26 C ATOM 552 O2 DC B 18 -4.794 0.814 13.164 1.00 0.27 O ATOM 553 N3 DC B 18 -2.885 -0.356 13.468 1.00 0.28 N ATOM 554 C4 DC B 18 -2.286 -1.545 13.625 1.00 0.28 C ATOM 555 N4 DC B 18 -0.963 -1.593 13.778 1.00 0.30 N ATOM 556 C5 DC B 18 -3.047 -2.756 13.630 1.00 0.28 C ATOM 557 C6 DC B 18 -4.377 -2.657 13.474 1.00 0.27 C ATOM 0 H5' DC B 18 -8.082 -3.555 15.946 1.00 0.30 H new ATOM 0 H5'' DC B 18 -9.029 -4.358 14.710 1.00 0.30 H new ATOM 0 H4' DC B 18 -9.184 -1.949 14.450 1.00 0.28 H new ATOM 0 H3' DC B 18 -8.617 -3.713 12.374 1.00 0.26 H new ATOM 0 H2' DC B 18 -6.281 -3.284 12.210 1.00 0.25 H new ATOM 0 H2'' DC B 18 -6.890 -2.033 11.145 1.00 0.25 H new ATOM 0 H1' DC B 18 -6.628 -0.332 12.770 1.00 0.25 H new ATOM 0 H41 DC B 18 -0.496 -2.492 13.898 1.00 0.30 H new ATOM 0 H42 DC B 18 -0.418 -0.731 13.775 1.00 0.30 H new ATOM 0 H5 DC B 18 -2.569 -3.716 13.755 1.00 0.28 H new ATOM 0 H6 DC B 18 -4.983 -3.551 13.474 1.00 0.27 H new ATOM 569 P DT B 19 -9.196 -1.639 10.367 1.00 0.27 P ATOM 570 OP1 DT B 19 -10.583 -1.584 9.855 1.00 0.34 O ATOM 571 OP2 DT B 19 -8.240 -2.621 9.807 1.00 0.26 O ATOM 572 O5' DT B 19 -8.549 -0.172 10.229 1.00 0.26 O ATOM 573 C5' DT B 19 -9.172 0.956 10.849 1.00 0.30 C ATOM 574 C4' DT B 19 -8.395 2.242 10.582 1.00 0.32 C ATOM 575 O4' DT B 19 -7.012 2.108 11.004 1.00 0.29 O ATOM 576 C3' DT B 19 -8.382 2.562 9.093 1.00 0.32 C ATOM 577 O3' DT B 19 -8.588 3.962 8.866 1.00 0.38 O ATOM 578 C2' DT B 19 -7.015 2.130 8.646 1.00 0.27 C ATOM 579 C1' DT B 19 -6.147 2.322 9.866 1.00 0.27 C ATOM 580 N1 DT B 19 -5.016 1.375 9.886 1.00 0.22 N ATOM 581 C2 DT B 19 -3.745 1.909 9.969 1.00 0.23 C ATOM 582 O2 DT B 19 -3.547 3.121 10.012 1.00 0.27 O ATOM 583 N3 DT B 19 -2.705 1.001 9.994 1.00 0.22 N ATOM 584 C4 DT B 19 -2.825 -0.376 9.942 1.00 0.19 C ATOM 585 O4 DT B 19 -1.826 -1.092 9.986 1.00 0.21 O ATOM 586 C5 DT B 19 -4.190 -0.844 9.851 1.00 0.17 C ATOM 587 C7 DT B 19 -4.469 -2.343 9.807 1.00 0.17 C ATOM 588 C6 DT B 19 -5.223 0.023 9.830 1.00 0.20 C ATOM 0 H5' DT B 19 -9.242 0.789 11.924 1.00 0.30 H new ATOM 0 H5'' DT B 19 -10.191 1.061 10.476 1.00 0.30 H new ATOM 0 H4' DT B 19 -8.889 3.035 11.142 1.00 0.32 H new ATOM 0 H3' DT B 19 -9.178 2.059 8.545 1.00 0.32 H new ATOM 0 H2' DT B 19 -7.014 1.091 8.316 1.00 0.27 H new ATOM 0 H2'' DT B 19 -6.662 2.731 7.808 1.00 0.27 H new ATOM 0 H1' DT B 19 -5.705 3.318 9.874 1.00 0.27 H new ATOM 0 H3 DT B 19 -1.761 1.381 10.057 1.00 0.22 H new ATOM 0 H71 DT B 19 -3.631 -2.855 9.334 1.00 0.17 H new ATOM 0 H72 DT B 19 -4.598 -2.719 10.822 1.00 0.17 H new ATOM 0 H73 DT B 19 -5.378 -2.527 9.234 1.00 0.17 H new ATOM 0 H6 DT B 19 -6.232 -0.356 9.768 1.00 0.20 H new ATOM 601 P DG B 20 -8.263 4.616 7.432 1.00 0.41 P ATOM 602 OP1 DG B 20 -8.885 5.958 7.383 1.00 0.47 O ATOM 603 OP2 DG B 20 -8.579 3.618 6.386 1.00 0.40 O ATOM 604 O5' DG B 20 -6.665 4.804 7.483 1.00 0.39 O ATOM 605 C5' DG B 20 -6.080 6.049 7.881 1.00 0.44 C ATOM 606 C4' DG B 20 -4.864 6.373 7.019 1.00 0.44 C ATOM 607 O4' DG B 20 -3.788 5.432 7.294 1.00 0.37 O ATOM 608 C3' DG B 20 -5.224 6.226 5.542 1.00 0.46 C ATOM 609 O3' DG B 20 -4.592 7.252 4.763 1.00 0.52 O ATOM 610 C2' DG B 20 -4.689 4.866 5.211 1.00 0.38 C ATOM 611 C1' DG B 20 -3.453 4.759 6.065 1.00 0.34 C ATOM 612 N9 DG B 20 -3.113 3.353 6.281 1.00 0.26 N ATOM 613 C8 DG B 20 -3.914 2.276 6.216 1.00 0.23 C ATOM 614 N7 DG B 20 -3.386 1.118 6.440 1.00 0.18 N ATOM 615 C5 DG B 20 -2.051 1.463 6.686 1.00 0.18 C ATOM 616 C6 DG B 20 -0.936 0.640 7.000 1.00 0.18 C ATOM 617 O6 DG B 20 -0.898 -0.582 7.128 1.00 0.20 O ATOM 618 N1 DG B 20 0.219 1.394 7.166 1.00 0.22 N ATOM 619 C2 DG B 20 0.297 2.765 7.049 1.00 0.25 C ATOM 620 N2 DG B 20 1.496 3.305 7.247 1.00 0.30 N ATOM 621 N3 DG B 20 -0.744 3.545 6.755 1.00 0.26 N ATOM 622 C4 DG B 20 -1.880 2.835 6.588 1.00 0.22 C ATOM 0 H5' DG B 20 -5.786 6.000 8.929 1.00 0.44 H new ATOM 0 H5'' DG B 20 -6.817 6.847 7.794 1.00 0.44 H new ATOM 0 H4' DG B 20 -4.551 7.392 7.246 1.00 0.44 H new ATOM 0 H3' DG B 20 -6.289 6.325 5.332 1.00 0.46 H new ATOM 0 H2' DG B 20 -5.409 4.083 5.447 1.00 0.38 H new ATOM 0 H2'' DG B 20 -4.454 4.774 4.151 1.00 0.38 H new ATOM 0 H1' DG B 20 -2.576 5.211 5.602 1.00 0.34 H new ATOM 0 H8 DG B 20 -4.964 2.375 5.984 1.00 0.23 H new ATOM 0 H1 DG B 20 1.078 0.893 7.393 1.00 0.22 H new ATOM 0 H21 DG B 20 1.619 4.315 7.174 1.00 0.30 H new ATOM 0 H22 DG B 20 2.293 2.709 7.471 1.00 0.30 H new ATOM 634 P DC B 21 -4.608 7.208 3.154 1.00 0.58 P ATOM 635 OP1 DC B 21 -5.112 8.509 2.660 1.00 0.68 O ATOM 636 OP2 DC B 21 -5.269 5.952 2.732 1.00 0.56 O ATOM 637 O5' DC B 21 -3.042 7.101 2.787 1.00 0.58 O ATOM 638 C5' DC B 21 -2.121 8.133 3.167 1.00 0.61 C ATOM 639 C4' DC B 21 -0.694 7.770 2.765 1.00 0.60 C ATOM 640 O4' DC B 21 -0.269 6.567 3.462 1.00 0.51 O ATOM 641 C3' DC B 21 -0.629 7.474 1.269 1.00 0.65 C ATOM 642 O3' DC B 21 0.535 8.065 0.682 1.00 0.70 O ATOM 643 C2' DC B 21 -0.587 5.976 1.216 1.00 0.58 C ATOM 644 C1' DC B 21 0.134 5.584 2.486 1.00 0.50 C ATOM 645 N1 DC B 21 -0.287 4.247 2.945 1.00 0.41 N ATOM 646 C2 DC B 21 0.693 3.339 3.331 1.00 0.37 C ATOM 647 O2 DC B 21 1.885 3.639 3.274 1.00 0.39 O ATOM 648 N3 DC B 21 0.293 2.115 3.775 1.00 0.31 N ATOM 649 C4 DC B 21 -1.007 1.795 3.838 1.00 0.30 C ATOM 650 N4 DC B 21 -1.362 0.588 4.274 1.00 0.28 N ATOM 651 C5 DC B 21 -2.015 2.728 3.442 1.00 0.35 C ATOM 652 C6 DC B 21 -1.613 3.933 3.006 1.00 0.40 C ATOM 0 H5' DC B 21 -2.170 8.290 4.245 1.00 0.61 H new ATOM 0 H5'' DC B 21 -2.408 9.073 2.695 1.00 0.61 H new ATOM 0 H4' DC B 21 -0.050 8.611 3.020 1.00 0.60 H new ATOM 0 H3' DC B 21 -1.468 7.886 0.708 1.00 0.65 H new ATOM 0 H2' DC B 21 -1.590 5.550 1.179 1.00 0.58 H new ATOM 0 H2'' DC B 21 -0.057 5.623 0.331 1.00 0.58 H new ATOM 0 H1' DC B 21 1.213 5.549 2.333 1.00 0.50 H new ATOM 0 H41 DC B 21 -2.349 0.334 4.326 1.00 0.28 H new ATOM 0 H42 DC B 21 -0.647 -0.083 4.556 1.00 0.28 H new ATOM 0 H5 DC B 21 -3.063 2.473 3.492 1.00 0.35 H new ATOM 0 H6 DC B 21 -2.349 4.662 2.700 1.00 0.40 H new ATOM 664 P DC B 22 1.315 7.330 -0.514 1.00 0.76 P ATOM 665 OP1 DC B 22 2.200 8.319 -1.170 1.00 0.85 O ATOM 666 OP2 DC B 22 0.329 6.572 -1.317 1.00 0.77 O ATOM 667 O5' DC B 22 2.236 6.277 0.280 1.00 0.71 O ATOM 668 C5' DC B 22 3.351 6.721 1.060 1.00 0.72 C ATOM 669 C4' DC B 22 4.527 5.768 0.918 1.00 0.67 C ATOM 670 O4' DC B 22 4.266 4.540 1.633 1.00 0.56 O ATOM 671 C3' DC B 22 4.742 5.419 -0.566 1.00 0.73 C ATOM 672 O3' DC B 22 6.015 5.892 -1.022 1.00 0.80 O ATOM 673 C2' DC B 22 4.663 3.919 -0.644 1.00 0.67 C ATOM 674 C1' DC B 22 4.421 3.403 0.761 1.00 0.55 C ATOM 675 N1 DC B 22 3.222 2.555 0.779 1.00 0.50 N ATOM 676 C2 DC B 22 3.358 1.263 1.252 1.00 0.45 C ATOM 677 O2 DC B 22 4.448 0.864 1.648 1.00 0.45 O ATOM 678 N3 DC B 22 2.259 0.460 1.259 1.00 0.44 N ATOM 679 C4 DC B 22 1.078 0.910 0.819 1.00 0.47 C ATOM 680 N4 DC B 22 0.019 0.099 0.841 1.00 0.50 N ATOM 681 C5 DC B 22 0.937 2.246 0.330 1.00 0.52 C ATOM 682 C6 DC B 22 2.033 3.031 0.329 1.00 0.53 C ATOM 0 H5' DC B 22 3.061 6.793 2.108 1.00 0.72 H new ATOM 0 H5'' DC B 22 3.647 7.721 0.742 1.00 0.72 H new ATOM 0 H4' DC B 22 5.412 6.257 1.326 1.00 0.67 H new ATOM 0 H3' DC B 22 3.995 5.892 -1.203 1.00 0.73 H new ATOM 0 H2' DC B 22 3.857 3.611 -1.310 1.00 0.67 H new ATOM 0 H2'' DC B 22 5.587 3.507 -1.050 1.00 0.67 H new ATOM 0 HO3' DC B 22 6.132 5.658 -1.967 1.00 0.80 H new ATOM 0 H1' DC B 22 5.261 2.797 1.101 1.00 0.55 H new ATOM 0 H41 DC B 22 -0.886 0.432 0.508 1.00 0.50 H new ATOM 0 H42 DC B 22 0.114 -0.854 1.191 1.00 0.50 H new ATOM 0 H5 DC B 22 -0.014 2.613 -0.026 1.00 0.52 H new ATOM 0 H6 DC B 22 1.965 4.046 -0.033 1.00 0.53 H new TER 695 DC B 22 HETATM 696 C4C BZR A 26 -5.823 1.046 16.513 1.00 0.28 C HETATM 697 C9C BZR A 26 -6.091 1.091 17.997 1.00 0.31 C HETATM 698 O3 BZR A 26 -7.248 1.886 18.268 1.00 0.32 O HETATM 699 C8B BZR A 26 -6.275 -0.325 18.554 1.00 0.33 C HETATM 700 O2 BZR A 26 -6.771 -0.258 19.895 1.00 0.35 O HETATM 701 C3B BZR A 26 -7.229 -1.154 17.685 1.00 0.32 C HETATM 702 O1 BZR A 26 -6.503 -2.130 16.933 1.00 0.29 O HETATM 703 C3A BZR A 26 -7.967 -0.239 16.721 1.00 0.30 C HETATM 704 C2A BZR A 26 -9.329 -0.452 16.379 1.00 0.32 C HETATM 705 C4A BZR A 26 -7.272 0.839 16.154 1.00 0.28 C HETATM 706 C1A BZR A 26 -9.971 0.423 15.480 1.00 0.31 C HETATM 707 C5A BZR A 26 -7.196 2.782 14.710 1.00 0.25 C HETATM 708 C4B BZR A 26 -7.911 1.709 15.261 1.00 0.27 C HETATM 709 C6A BZR A 26 -7.101 4.730 13.272 1.00 0.25 C HETATM 710 C7A BZR A 26 -7.725 5.620 12.374 1.00 0.26 C HETATM 711 C8A BZR A 26 -9.079 5.432 12.022 1.00 0.27 C HETATM 712 C5B BZR A 26 -7.826 3.659 13.816 1.00 0.25 C HETATM 713 C9B BZR A 26 -9.178 3.467 13.469 1.00 0.27 C HETATM 714 C11 BZR A 26 -9.261 1.507 14.922 1.00 0.29 C HETATM 715 C9A BZR A 26 -9.806 4.354 12.571 1.00 0.28 C HETATM 716 C10 BZR A 26 -9.899 2.387 14.023 1.00 0.29 C HETATM 0 HO2 BZR A 26 -6.020 -0.168 20.518 1.00 0.35 H new HETATM 0 H9C BZR A 26 -5.231 1.546 18.489 1.00 0.31 H new HETATM 0 H9A BZR A 26 -10.852 4.207 12.301 1.00 0.28 H new HETATM 0 H8B BZR A 26 -5.303 -0.818 18.546 1.00 0.33 H new HETATM 0 H8A BZR A 26 -9.563 6.119 11.327 1.00 0.27 H new HETATM 0 H7A BZR A 26 -7.162 6.453 11.952 1.00 0.26 H new HETATM 0 H6A BZR A 26 -6.055 4.874 13.544 1.00 0.25 H new HETATM 0 H5A BZR A 26 -6.150 2.934 14.977 1.00 0.25 H new HETATM 0 H3B BZR A 26 -7.939 -1.661 18.339 1.00 0.32 H new HETATM 0 H3 BZR A 26 -7.051 2.827 18.077 1.00 0.32 H new HETATM 0 H2A BZR A 26 -9.876 -1.290 16.811 1.00 0.32 H new HETATM 0 H1A BZR A 26 -11.016 0.262 15.216 1.00 0.31 H new HETATM 0 H10 BZR A 26 -10.945 2.234 13.757 1.00 0.29 H new HETATM 0 H1 BZR A 26 -6.436 -1.840 15.999 1.00 0.29 H new CONECT 179 696 CONECT 696 179 697 705 717 CONECT 697 696 698 699 718 CONECT 698 697 719 CONECT 699 697 700 701 720 CONECT 700 699 721 CONECT 701 699 702 703 722 CONECT 702 701 723 CONECT 703 701 704 705 CONECT 704 703 706 724 CONECT 705 696 703 708 CONECT 706 704 714 725 CONECT 707 708 712 726 CONECT 708 705 707 714 CONECT 709 710 712 727 CONECT 710 709 711 728 CONECT 711 710 715 729 CONECT 712 707 709 713 CONECT 713 712 715 716 CONECT 714 706 708 716 CONECT 715 711 713 730 CONECT 716 713 714 731 CONECT 717 696 CONECT 718 697 CONECT 719 698 CONECT 720 699 CONECT 721 700 CONECT 722 701 CONECT 723 702 CONECT 724 704 CONECT 725 706 CONECT 726 707 CONECT 727 709 CONECT 728 710 CONECT 729 711 CONECT 730 715 CONECT 731 716 END