USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 258 hydrogens (19 hets) HEADER DNA 30-JUL-04 1U6O TITLE MISPAIRING OF A SITE-SPECIFIC MAJOR GROOVE (2S,3S)-N6-(2,3, TITLE 2 4-TRIHYDROXYBUTYL)-2-DEOXYADENOSYL DNA ADDUCT OF BUTADIENE TITLE 3 DIOL EPOXIDE WITH DEOXYGUANOSINE: FORMATION OF A DA(ANTI) TITLE 4 DG(ANTI) PAIRING INTERACTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*AP*CP*(2BU)P*AP*GP*AP*AP*G)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*CP*TP*TP*CP*TP*GP*GP*TP*CP*CP*G)-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 BUTADIENE, MISMATCH, RAS61, DEOXYADENOSYL, DIOL EPOXIDE, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.A.SCHOLDBERG,L.N.NECHEV,W.K.MERRITT,T.M.HARRIS,C.M.HARRIS, AUTHOR 2 R.S.LLOYD,M.P.STONE REVDAT 3 24-FEB-09 1U6O 1 VERSN REVDAT 2 26-APR-05 1U6O 1 JRNL REVDAT 1 10-AUG-04 1U6O 0 JRNL AUTH T.A.SCHOLDBERG,L.V.NECHEV,W.K.MERRITT,T.M.HARRIS, JRNL AUTH 2 C.M.HARRIS,R.S.LLOYD,M.P.STONE JRNL TITL MISPAIRING OF A SITE SPECIFIC MAJOR GROOVE JRNL TITL 2 (2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'- JRNL TITL 3 DEOXYADENOSYL DNA ADDUCT OF BUTADIENE DIOL EPOXIDE JRNL TITL 4 WITH DEOXYGUANOSINE: FORMATION OF A JRNL TITL 5 DA(ANTI)DG(ANTI) PAIRING INTERACTION. JRNL REF CHEM.RES.TOXICOL. V. 18 145 2005 JRNL REFN ISSN 0893-228X JRNL PMID 15720118 JRNL DOI 10.1021/TX049772P 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 1U6O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-AUG-04. REMARK 100 THE RCSB ID CODE IS RCSB023312. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX 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: 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. = 2.5 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.9 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 N7 - C8 - N9 ANGL. DEV. = 4.1 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA A 7 N7 - C8 - N9 ANGL. DEV. = 3.9 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 DA A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA A 10 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT B 13 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 17 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 17 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG B 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 21 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 22 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG B 22 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG B 22 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1U6N RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUE (A G 8 ) AND RESIDUE (A A 9 ) ARE NOT LINKED. REMARK 999 DISTANCE OF O3*-P BOND IS 3.46 DBREF 1U6O A 1 11 PDB 1U6O 1U6O 1 11 DBREF 1U6O B 12 22 PDB 1U6O 1U6O 12 22 SEQRES 1 A 11 DC DG DG DA DC 2BU DA DG DA DA DG SEQRES 1 B 11 DC DT DT DC DT DG DG DT DC DC DG MODRES 1U6O 2BU A 6 DA HET 2BU A 6 47 HETNAM 2BU (2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE HETNAM 2 2BU MONO PHOSPHORIC ACID FORMUL 1 2BU C14 H22 N5 O9 P LINK O3' DC A 5 P 2BU A 6 1555 1555 1.61 LINK O3' 2BU A 6 P DA A 7 1555 1555 1.63 LINK N1 DG B 17 N1 2BU A 6 1555 1555 1.90 LINK O6 DG B 17 N1 2BU A 6 1555 1555 2.00 LINK N1 DG B 17 C2 2BU A 6 1555 1555 1.77 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 2BU HO3 : A 6 2BU OH3 : A 6 2BU CB3 :(short bond) USER MOD Single : A 1 DC O5' : rot 2:sc= -2.34! USER MOD Single : A 6 2BU OH4 : rot 180:sc= 0 USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 12 DC O5' : rot 48:sc= 0.684 USER MOD Single : B 13 DT C7 :methyl -30:sc= -4.91! (180deg=-5.03!) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.305 (180deg=-1.26) USER MOD Single : B 16 DT C7 :methyl -30:sc= -2.02 (180deg=-4.99!) USER MOD Single : B 19 DT C7 :methyl -30:sc= -2.62! (180deg=-4.5!) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -0.330 -7.585 -0.880 1.00 0.13 O ATOM 2 C5' DC A 1 0.957 -8.070 -1.261 1.00 0.08 C ATOM 3 C4' DC A 1 2.026 -7.526 -0.311 1.00 0.08 C ATOM 4 O4' DC A 1 2.142 -6.096 -0.416 1.00 0.10 O ATOM 5 C3' DC A 1 1.689 -7.868 1.130 1.00 0.07 C ATOM 6 O3' DC A 1 2.747 -8.651 1.720 1.00 0.10 O ATOM 7 C2' DC A 1 1.499 -6.547 1.843 1.00 0.08 C ATOM 8 C1' DC A 1 1.700 -5.474 0.805 1.00 0.09 C ATOM 9 N1 DC A 1 0.456 -4.720 0.575 1.00 0.14 N ATOM 10 C2 DC A 1 0.473 -3.351 0.801 1.00 0.18 C ATOM 11 O2 DC A 1 1.508 -2.793 1.157 1.00 0.26 O ATOM 12 N3 DC A 1 -0.678 -2.653 0.598 1.00 0.24 N ATOM 13 C4 DC A 1 -1.796 -3.270 0.190 1.00 0.20 C ATOM 14 N4 DC A 1 -2.906 -2.554 -0.002 1.00 0.24 N ATOM 15 C5 DC A 1 -1.813 -4.682 -0.045 1.00 0.17 C ATOM 16 C6 DC A 1 -0.668 -5.363 0.159 1.00 0.15 C ATOM 0 H5' DC A 1 1.180 -7.767 -2.284 1.00 0.08 H new ATOM 0 H5'' DC A 1 0.964 -9.160 -1.243 1.00 0.08 H new ATOM 0 H4' DC A 1 2.970 -7.990 -0.597 1.00 0.08 H new ATOM 0 H3' DC A 1 0.785 -8.473 1.205 1.00 0.07 H new ATOM 0 H2' DC A 1 0.503 -6.482 2.282 1.00 0.08 H new ATOM 0 H2'' DC A 1 2.215 -6.439 2.658 1.00 0.08 H new ATOM 0 HO5' DC A 1 -0.239 -6.984 -0.111 1.00 0.13 H new ATOM 0 H1' DC A 1 2.451 -4.767 1.157 1.00 0.09 H new ATOM 0 H41 DC A 1 -3.762 -3.014 -0.312 1.00 0.24 H new ATOM 0 H42 DC A 1 -2.898 -1.547 0.162 1.00 0.24 H new ATOM 0 H5 DC A 1 -2.711 -5.184 -0.374 1.00 0.17 H new ATOM 0 H6 DC A 1 -0.643 -6.429 -0.009 1.00 0.15 H new ATOM 29 P DG A 2 3.077 -8.604 3.304 1.00 0.07 P ATOM 30 OP1 DG A 2 4.199 -9.532 3.571 1.00 0.11 O ATOM 31 OP2 DG A 2 1.805 -8.751 4.048 1.00 0.10 O ATOM 32 O5' DG A 2 3.611 -7.093 3.511 1.00 0.08 O ATOM 33 C5' DG A 2 4.775 -6.627 2.816 1.00 0.05 C ATOM 34 C4' DG A 2 5.167 -5.206 3.230 1.00 0.04 C ATOM 35 O4' DG A 2 4.182 -4.243 2.787 1.00 0.05 O ATOM 36 C3' DG A 2 5.290 -5.095 4.742 1.00 0.03 C ATOM 37 O3' DG A 2 6.636 -4.774 5.124 1.00 0.04 O ATOM 38 C2' DG A 2 4.330 -4.009 5.173 1.00 0.04 C ATOM 39 C1' DG A 2 3.687 -3.471 3.905 1.00 0.04 C ATOM 40 N9 DG A 2 2.223 -3.579 4.008 1.00 0.04 N ATOM 41 C8 DG A 2 1.475 -4.681 4.194 1.00 0.04 C ATOM 42 N7 DG A 2 0.195 -4.540 4.262 1.00 0.04 N ATOM 43 C5 DG A 2 0.056 -3.159 4.105 1.00 0.05 C ATOM 44 C6 DG A 2 -1.119 -2.363 4.083 1.00 0.06 C ATOM 45 O6 DG A 2 -2.287 -2.724 4.203 1.00 0.06 O ATOM 46 N1 DG A 2 -0.822 -1.020 3.897 1.00 0.08 N ATOM 47 C2 DG A 2 0.449 -0.499 3.751 1.00 0.09 C ATOM 48 N2 DG A 2 0.528 0.822 3.588 1.00 0.11 N ATOM 49 N3 DG A 2 1.562 -1.241 3.770 1.00 0.07 N ATOM 50 C4 DG A 2 1.296 -2.557 3.948 1.00 0.05 C ATOM 0 H5' DG A 2 4.589 -6.652 1.742 1.00 0.05 H new ATOM 0 H5'' DG A 2 5.607 -7.303 3.011 1.00 0.05 H new ATOM 0 H4' DG A 2 6.128 -4.993 2.761 1.00 0.04 H new ATOM 0 H3' DG A 2 5.048 -6.042 5.225 1.00 0.03 H new ATOM 0 H2' DG A 2 3.575 -4.406 5.852 1.00 0.04 H new ATOM 0 H2'' DG A 2 4.855 -3.217 5.707 1.00 0.04 H new ATOM 0 H1' DG A 2 3.938 -2.420 3.762 1.00 0.04 H new ATOM 0 H8 DG A 2 1.933 -5.655 4.284 1.00 0.04 H new ATOM 0 H1 DG A 2 -1.604 -0.366 3.866 1.00 0.08 H new ATOM 0 H21 DG A 2 1.438 1.268 3.475 1.00 0.11 H new ATOM 0 H22 DG A 2 -0.322 1.386 3.577 1.00 0.11 H new ATOM 62 P DG A 3 7.046 -4.590 6.677 1.00 0.03 P ATOM 63 OP1 DG A 3 8.451 -5.025 6.839 1.00 0.04 O ATOM 64 OP2 DG A 3 5.988 -5.197 7.517 1.00 0.04 O ATOM 65 O5' DG A 3 6.986 -2.990 6.872 1.00 0.04 O ATOM 66 C5' DG A 3 7.740 -2.133 6.011 1.00 0.03 C ATOM 67 C4' DG A 3 7.668 -0.670 6.432 1.00 0.03 C ATOM 68 O4' DG A 3 6.336 -0.184 6.229 1.00 0.03 O ATOM 69 C3' DG A 3 7.994 -0.472 7.904 1.00 0.03 C ATOM 70 O3' DG A 3 8.668 0.784 8.093 1.00 0.04 O ATOM 71 C2' DG A 3 6.664 -0.489 8.585 1.00 0.03 C ATOM 72 C1' DG A 3 5.675 -0.067 7.502 1.00 0.03 C ATOM 73 N9 DG A 3 4.464 -0.902 7.538 1.00 0.03 N ATOM 74 C8 DG A 3 4.345 -2.240 7.699 1.00 0.03 C ATOM 75 N7 DG A 3 3.156 -2.741 7.691 1.00 0.03 N ATOM 76 C5 DG A 3 2.370 -1.601 7.497 1.00 0.03 C ATOM 77 C6 DG A 3 0.959 -1.471 7.416 1.00 0.02 C ATOM 78 O6 DG A 3 0.107 -2.354 7.481 1.00 0.03 O ATOM 79 N1 DG A 3 0.579 -0.145 7.246 1.00 0.02 N ATOM 80 C2 DG A 3 1.443 0.927 7.161 1.00 0.02 C ATOM 81 N2 DG A 3 0.886 2.127 7.003 1.00 0.03 N ATOM 82 N3 DG A 3 2.771 0.813 7.236 1.00 0.03 N ATOM 83 C4 DG A 3 3.166 -0.469 7.404 1.00 0.03 C ATOM 0 H5' DG A 3 7.370 -2.232 4.991 1.00 0.03 H new ATOM 0 H5'' DG A 3 8.781 -2.455 6.005 1.00 0.03 H new ATOM 0 H4' DG A 3 8.400 -0.133 5.829 1.00 0.03 H new ATOM 0 H3' DG A 3 8.659 -1.238 8.303 1.00 0.03 H new ATOM 0 H2' DG A 3 6.429 -1.480 8.973 1.00 0.03 H new ATOM 0 H2'' DG A 3 6.643 0.197 9.431 1.00 0.03 H new ATOM 0 H1' DG A 3 5.359 0.963 7.669 1.00 0.03 H new ATOM 0 H8 DG A 3 5.215 -2.867 7.830 1.00 0.03 H new ATOM 0 H1 DG A 3 -0.420 0.051 7.179 1.00 0.02 H new ATOM 0 H21 DG A 3 1.474 2.957 6.934 1.00 0.03 H new ATOM 0 H22 DG A 3 -0.129 2.215 6.951 1.00 0.03 H new ATOM 95 P DA A 4 8.882 1.434 9.556 1.00 0.04 P ATOM 96 OP1 DA A 4 10.084 2.296 9.507 1.00 0.04 O ATOM 97 OP2 DA A 4 8.792 0.356 10.568 1.00 0.04 O ATOM 98 O5' DA A 4 7.588 2.386 9.719 1.00 0.03 O ATOM 99 C5' DA A 4 7.135 3.199 8.625 1.00 0.03 C ATOM 100 C4' DA A 4 6.508 4.525 9.096 1.00 0.02 C ATOM 101 O4' DA A 4 5.075 4.466 9.032 1.00 0.01 O ATOM 102 C3' DA A 4 6.874 4.833 10.543 1.00 0.02 C ATOM 103 O3' DA A 4 7.186 6.227 10.730 1.00 0.02 O ATOM 104 C2' DA A 4 5.667 4.431 11.357 1.00 0.02 C ATOM 105 C1' DA A 4 4.557 4.168 10.340 1.00 0.01 C ATOM 106 N9 DA A 4 4.134 2.770 10.395 1.00 0.01 N ATOM 107 C8 DA A 4 4.901 1.689 10.528 1.00 0.02 C ATOM 108 N7 DA A 4 4.322 0.534 10.544 1.00 0.02 N ATOM 109 C5 DA A 4 2.979 0.900 10.397 1.00 0.02 C ATOM 110 C6 DA A 4 1.796 0.161 10.329 1.00 0.02 C ATOM 111 N6 DA A 4 1.766 -1.170 10.400 1.00 0.02 N ATOM 112 N1 DA A 4 0.645 0.844 10.182 1.00 0.02 N ATOM 113 C2 DA A 4 0.658 2.176 10.104 1.00 0.01 C ATOM 114 N3 DA A 4 1.720 2.975 10.157 1.00 0.01 N ATOM 115 C4 DA A 4 2.856 2.266 10.306 1.00 0.01 C ATOM 0 H5' DA A 4 6.403 2.642 8.041 1.00 0.03 H new ATOM 0 H5'' DA A 4 7.974 3.412 7.963 1.00 0.03 H new ATOM 0 H4' DA A 4 6.896 5.299 8.434 1.00 0.02 H new ATOM 0 H3' DA A 4 7.769 4.290 10.848 1.00 0.02 H new ATOM 0 H2' DA A 4 5.873 3.541 11.951 1.00 0.02 H new ATOM 0 H2'' DA A 4 5.383 5.220 12.053 1.00 0.02 H new ATOM 0 H1' DA A 4 3.693 4.794 10.564 1.00 0.01 H new ATOM 0 H8 DA A 4 5.974 1.775 10.620 1.00 0.02 H new ATOM 0 H61 DA A 4 0.875 -1.664 10.345 1.00 0.02 H new ATOM 0 H62 DA A 4 2.634 -1.695 10.509 1.00 0.02 H new ATOM 0 H2 DA A 4 -0.301 2.659 9.985 1.00 0.01 H new ATOM 127 P DC A 5 6.192 7.438 10.307 1.00 0.02 P ATOM 128 OP1 DC A 5 5.883 7.303 8.866 1.00 0.02 O ATOM 129 OP2 DC A 5 6.775 8.699 10.814 1.00 0.03 O ATOM 130 O5' DC A 5 4.843 7.153 11.143 1.00 0.02 O ATOM 131 C5' DC A 5 3.568 7.560 10.623 1.00 0.03 C ATOM 132 C4' DC A 5 2.421 7.197 11.564 1.00 0.04 C ATOM 133 O4' DC A 5 2.155 5.781 11.551 1.00 0.04 O ATOM 134 C3' DC A 5 2.749 7.590 13.000 1.00 0.03 C ATOM 135 O3' DC A 5 1.917 8.670 13.438 1.00 0.04 O ATOM 136 C2' DC A 5 2.521 6.342 13.834 1.00 0.03 C ATOM 137 C1' DC A 5 1.839 5.358 12.887 1.00 0.04 C ATOM 138 N1 DC A 5 2.272 3.953 13.125 1.00 0.04 N ATOM 139 C2 DC A 5 1.295 2.967 13.075 1.00 0.04 C ATOM 140 O2 DC A 5 0.124 3.262 12.837 1.00 0.05 O ATOM 141 N3 DC A 5 1.669 1.676 13.279 1.00 0.05 N ATOM 142 C4 DC A 5 2.944 1.356 13.524 1.00 0.04 C ATOM 143 N4 DC A 5 3.276 0.080 13.703 1.00 0.05 N ATOM 144 C5 DC A 5 3.954 2.358 13.581 1.00 0.04 C ATOM 145 C6 DC A 5 3.581 3.632 13.374 1.00 0.03 C ATOM 0 H5' DC A 5 3.405 7.088 9.654 1.00 0.03 H new ATOM 0 H5'' DC A 5 3.572 8.637 10.456 1.00 0.03 H new ATOM 0 H4' DC A 5 1.546 7.742 11.209 1.00 0.04 H new ATOM 0 H3' DC A 5 3.776 7.943 13.094 1.00 0.03 H new ATOM 0 H2' DC A 5 3.462 5.941 14.211 1.00 0.03 H new ATOM 0 H2'' DC A 5 1.895 6.555 14.701 1.00 0.03 H new ATOM 0 H1' DC A 5 0.762 5.363 13.056 1.00 0.04 H new ATOM 0 H41 DC A 5 4.246 -0.173 13.890 1.00 0.05 H new ATOM 0 H42 DC A 5 2.560 -0.645 13.653 1.00 0.05 H new ATOM 0 H5 DC A 5 4.984 2.103 13.784 1.00 0.04 H new ATOM 0 H6 DC A 5 4.324 4.415 13.404 1.00 0.03 H new HETATM 157 P 2BU A 6 2.124 9.338 14.891 1.00 0.03 P HETATM 158 OP1 2BU A 6 1.828 10.785 14.785 1.00 0.05 O HETATM 159 OP2 2BU A 6 3.428 8.891 15.434 1.00 0.04 O HETATM 160 O5' 2BU A 6 0.958 8.644 15.754 1.00 0.02 O HETATM 161 C5' 2BU A 6 -0.409 8.780 15.356 1.00 0.02 C HETATM 162 C4' 2BU A 6 -1.329 7.884 16.183 1.00 0.02 C HETATM 163 O4' 2BU A 6 -0.973 6.491 16.029 1.00 0.02 O HETATM 164 C1' 2BU A 6 -0.728 5.904 17.320 1.00 0.01 C HETATM 165 N9 2BU A 6 0.473 5.038 17.254 1.00 0.01 N HETATM 166 C4 2BU A 6 0.540 3.655 17.158 1.00 0.02 C HETATM 167 N3 2BU A 6 -0.492 2.791 17.003 1.00 0.02 N HETATM 168 C2 2BU A 6 -0.064 1.537 16.870 1.00 0.02 C HETATM 169 N1 2BU A 6 1.202 1.113 16.899 1.00 0.02 N HETATM 170 C6 2BU A 6 2.213 1.986 17.045 1.00 0.02 C HETATM 171 N6 2BU A 6 3.461 1.510 17.232 1.00 0.02 N HETATM 172 CB1 2BU A 6 4.619 2.279 16.687 1.00 0.02 C HETATM 173 CB2 2BU A 6 5.913 1.737 17.413 1.00 0.03 C HETATM 174 OH2 2BU A 6 5.796 0.695 17.598 1.00 0.03 O HETATM 175 CB3 2BU A 6 6.914 0.669 16.763 1.00 0.04 C HETATM 176 OH3 2BU A 6 6.492 0.061 15.925 1.00 0.04 O HETATM 177 CB4 2BU A 6 8.220 1.392 16.343 1.00 0.04 C HETATM 178 OH4 2BU A 6 9.309 0.450 16.320 1.00 0.04 O HETATM 179 C5 2BU A 6 1.880 3.335 17.179 1.00 0.02 C HETATM 180 N7 2BU A 6 2.673 4.492 17.279 1.00 0.02 N HETATM 181 C8 2BU A 6 1.773 5.413 17.310 1.00 0.02 C HETATM 182 C2' 2BU A 6 -0.563 7.029 18.319 1.00 0.02 C HETATM 183 C3' 2BU A 6 -1.215 8.225 17.664 1.00 0.02 C HETATM 184 O3' 2BU A 6 -2.502 8.508 18.260 1.00 0.02 O HETATM 0 HB42 2BU A 6 8.097 1.844 15.359 1.00 0.04 H new HETATM 0 HB41 2BU A 6 8.440 2.200 17.040 1.00 0.04 H new HETATM 0 HB12 2BU A 6 4.493 3.346 16.868 1.00 0.02 H new HETATM 0 HB11 2BU A 6 4.697 2.146 15.608 1.00 0.02 H new HETATM 0 H5'' 2BU A 6 -0.718 9.819 15.465 1.00 0.02 H new HETATM 0 H2'' 2BU A 6 -1.041 6.788 19.268 1.00 0.02 H new HETATM 0 HO4 2BU A 6 10.133 0.909 16.053 1.00 0.04 H new HETATM 0 HB3 2BU A 6 7.116 -0.072 17.536 1.00 0.04 H new HETATM 0 HB2 2BU A 6 6.133 2.680 17.914 1.00 0.03 H new HETATM 0 H8 2BU A 6 2.050 6.465 17.379 1.00 0.02 H new HETATM 0 H6 2BU A 6 3.612 0.637 17.738 1.00 0.02 H new HETATM 0 H5' 2BU A 6 -0.508 8.528 14.300 1.00 0.02 H new HETATM 0 H4' 2BU A 6 -2.345 8.052 15.827 1.00 0.02 H new HETATM 0 H3' 2BU A 6 -0.625 9.131 17.804 1.00 0.02 H new HETATM 0 H2' 2BU A 6 0.489 7.219 18.531 1.00 0.02 H new HETATM 0 H2 2BU A 6 -0.829 0.775 16.722 1.00 0.02 H new HETATM 0 H1' 2BU A 6 -1.561 5.274 17.633 1.00 0.01 H new ATOM 204 P DA A 7 -3.873 7.725 17.877 1.00 0.01 P ATOM 205 OP1 DA A 7 -4.145 7.944 16.438 1.00 0.01 O ATOM 206 OP2 DA A 7 -4.901 8.092 18.876 1.00 0.02 O ATOM 207 O5' DA A 7 -3.513 6.167 18.090 1.00 0.02 O ATOM 208 C5' DA A 7 -4.065 5.163 17.219 1.00 0.01 C ATOM 209 C4' DA A 7 -4.958 4.189 17.975 1.00 0.01 C ATOM 210 O4' DA A 7 -4.201 3.037 18.355 1.00 0.01 O ATOM 211 C3' DA A 7 -5.492 4.818 19.249 1.00 0.01 C ATOM 212 O3' DA A 7 -6.855 4.416 19.485 1.00 0.01 O ATOM 213 C2' DA A 7 -4.557 4.344 20.334 1.00 0.01 C ATOM 214 C1' DA A 7 -3.870 3.121 19.751 1.00 0.01 C ATOM 215 N9 DA A 7 -2.413 3.209 19.935 1.00 0.01 N ATOM 216 C8 DA A 7 -1.617 4.297 19.913 1.00 0.01 C ATOM 217 N7 DA A 7 -0.351 4.118 20.086 1.00 0.01 N ATOM 218 C5 DA A 7 -0.287 2.732 20.247 1.00 0.01 C ATOM 219 C6 DA A 7 0.774 1.854 20.474 1.00 0.01 C ATOM 220 N6 DA A 7 2.043 2.251 20.565 1.00 0.02 N ATOM 221 N1 DA A 7 0.478 0.548 20.585 1.00 0.01 N ATOM 222 C2 DA A 7 -0.782 0.125 20.480 1.00 0.01 C ATOM 223 N3 DA A 7 -1.861 0.867 20.265 1.00 0.01 N ATOM 224 C4 DA A 7 -1.541 2.172 20.158 1.00 0.01 C ATOM 0 H5' DA A 7 -3.256 4.615 16.737 1.00 0.01 H new ATOM 0 H5'' DA A 7 -4.640 5.644 16.428 1.00 0.01 H new ATOM 0 H4' DA A 7 -5.784 3.920 17.317 1.00 0.01 H new ATOM 0 H3' DA A 7 -5.519 5.907 19.202 1.00 0.01 H new ATOM 0 H2' DA A 7 -3.834 5.116 20.597 1.00 0.01 H new ATOM 0 H2'' DA A 7 -5.102 4.095 21.244 1.00 0.01 H new ATOM 0 H1' DA A 7 -4.213 2.223 20.266 1.00 0.01 H new ATOM 0 H8 DA A 7 -2.025 5.285 19.756 1.00 0.01 H new ATOM 0 H61 DA A 7 2.781 1.567 20.732 1.00 0.02 H new ATOM 0 H62 DA A 7 2.276 3.239 20.468 1.00 0.02 H new ATOM 0 H2 DA A 7 -0.942 -0.938 20.581 1.00 0.01 H new ATOM 236 P DG A 8 -7.489 4.379 20.969 1.00 0.02 P ATOM 237 OP1 DG A 8 -8.963 4.421 20.846 1.00 0.02 O ATOM 238 OP2 DG A 8 -6.791 5.383 21.805 1.00 0.02 O ATOM 239 O5' DG A 8 -7.063 2.912 21.481 1.00 0.02 O ATOM 240 C5' DG A 8 -7.724 1.750 20.969 1.00 0.02 C ATOM 241 C4' DG A 8 -7.385 0.494 21.771 1.00 0.02 C ATOM 242 O4' DG A 8 -6.031 0.061 21.541 1.00 0.01 O ATOM 243 C3' DG A 8 -7.521 0.739 23.259 1.00 0.02 C ATOM 244 O3' DG A 8 -8.822 0.375 23.734 1.00 0.02 O ATOM 245 C2' DG A 8 -6.448 -0.116 23.891 1.00 0.02 C ATOM 246 C1' DG A 8 -5.417 -0.300 22.801 1.00 0.01 C ATOM 247 N9 DG A 8 -4.231 0.529 23.062 1.00 0.01 N ATOM 248 C8 DG A 8 -4.151 1.868 23.184 1.00 0.01 C ATOM 249 N7 DG A 8 -2.987 2.385 23.404 1.00 0.01 N ATOM 250 C5 DG A 8 -2.174 1.246 23.436 1.00 0.01 C ATOM 251 C6 DG A 8 -0.782 1.126 23.697 1.00 0.01 C ATOM 252 O6 DG A 8 0.037 2.020 23.895 1.00 0.01 O ATOM 253 N1 DG A 8 -0.377 -0.202 23.705 1.00 0.01 N ATOM 254 C2 DG A 8 -1.202 -1.288 23.488 1.00 0.01 C ATOM 255 N2 DG A 8 -0.623 -2.489 23.534 1.00 0.01 N ATOM 256 N3 DG A 8 -2.513 -1.185 23.241 1.00 0.01 N ATOM 257 C4 DG A 8 -2.932 0.102 23.228 1.00 0.01 C ATOM 0 H5' DG A 8 -7.440 1.602 19.927 1.00 0.02 H new ATOM 0 H5'' DG A 8 -8.802 1.910 20.986 1.00 0.02 H new ATOM 0 H4' DG A 8 -8.088 -0.270 21.438 1.00 0.02 H new ATOM 0 H3' DG A 8 -7.405 1.794 23.509 1.00 0.02 H new ATOM 0 H2' DG A 8 -6.017 0.371 24.766 1.00 0.02 H new ATOM 0 H2'' DG A 8 -6.849 -1.074 24.224 1.00 0.02 H new ATOM 0 HO3' DG A 8 -8.877 0.543 24.698 1.00 0.02 H new ATOM 0 H1' DG A 8 -5.084 -1.338 22.770 1.00 0.01 H new ATOM 0 H8 DG A 8 -5.031 2.489 23.101 1.00 0.01 H new ATOM 0 H1 DG A 8 0.609 -0.391 23.886 1.00 0.01 H new ATOM 0 H21 DG A 8 -1.180 -3.330 23.382 1.00 0.01 H new ATOM 0 H22 DG A 8 0.377 -2.566 23.721 1.00 0.01 H new ATOM 269 P DA A 9 -8.101 -2.441 25.608 1.00 0.01 P ATOM 270 OP1 DA A 9 -7.947 -1.320 26.562 1.00 0.01 O ATOM 271 OP2 DA A 9 -8.846 -3.653 26.022 1.00 0.01 O ATOM 272 O5' DA A 9 -6.631 -2.909 25.147 1.00 0.01 O ATOM 273 C5' DA A 9 -6.456 -3.886 24.110 1.00 0.01 C ATOM 274 C4' DA A 9 -5.540 -5.011 24.584 1.00 0.01 C ATOM 275 O4' DA A 9 -4.165 -4.590 24.608 1.00 0.01 O ATOM 276 C3' DA A 9 -5.898 -5.359 26.009 1.00 0.01 C ATOM 277 O3' DA A 9 -5.615 -6.735 26.290 1.00 0.01 O ATOM 278 C2' DA A 9 -5.033 -4.447 26.837 1.00 0.01 C ATOM 279 C1' DA A 9 -3.828 -4.167 25.951 1.00 0.01 C ATOM 280 N9 DA A 9 -3.503 -2.739 25.962 1.00 0.01 N ATOM 281 C8 DA A 9 -4.296 -1.679 25.694 1.00 0.01 C ATOM 282 N7 DA A 9 -3.760 -0.506 25.748 1.00 0.01 N ATOM 283 C5 DA A 9 -2.440 -0.821 26.097 1.00 0.01 C ATOM 284 C6 DA A 9 -1.307 -0.038 26.323 1.00 0.01 C ATOM 285 N6 DA A 9 -1.309 1.290 26.220 1.00 0.01 N ATOM 286 N1 DA A 9 -0.168 -0.677 26.649 1.00 0.01 N ATOM 287 C2 DA A 9 -0.142 -2.007 26.746 1.00 0.01 C ATOM 288 N3 DA A 9 -1.153 -2.842 26.552 1.00 0.01 N ATOM 289 C4 DA A 9 -2.281 -2.179 26.227 1.00 0.01 C ATOM 0 H5' DA A 9 -6.032 -3.413 23.224 1.00 0.01 H new ATOM 0 H5'' DA A 9 -7.424 -4.295 23.820 1.00 0.01 H new ATOM 0 H4' DA A 9 -5.665 -5.851 23.901 1.00 0.01 H new ATOM 0 H3' DA A 9 -6.960 -5.228 26.217 1.00 0.01 H new ATOM 0 H2' DA A 9 -5.558 -3.528 27.097 1.00 0.01 H new ATOM 0 H2'' DA A 9 -4.737 -4.921 27.773 1.00 0.01 H new ATOM 0 H1' DA A 9 -2.956 -4.709 26.318 1.00 0.01 H new ATOM 0 H8 DA A 9 -5.339 -1.808 25.444 1.00 0.01 H new ATOM 0 H61 DA A 9 -0.453 1.816 26.396 1.00 0.01 H new ATOM 0 H62 DA A 9 -2.166 1.780 25.965 1.00 0.01 H new ATOM 0 H2 DA A 9 0.806 -2.452 27.011 1.00 0.01 H new ATOM 301 P DA A 10 -5.866 -7.364 27.753 1.00 0.01 P ATOM 302 OP1 DA A 10 -6.797 -8.506 27.622 1.00 0.02 O ATOM 303 OP2 DA A 10 -6.188 -6.260 28.687 1.00 0.01 O ATOM 304 O5' DA A 10 -4.415 -7.933 28.163 1.00 0.01 O ATOM 305 C5' DA A 10 -3.204 -7.225 27.850 1.00 0.01 C ATOM 306 C4' DA A 10 -2.126 -7.537 28.888 1.00 0.01 C ATOM 307 O4' DA A 10 -1.156 -6.470 28.983 1.00 0.01 O ATOM 308 C3' DA A 10 -2.762 -7.697 30.257 1.00 0.01 C ATOM 309 O3' DA A 10 -2.265 -8.881 30.901 1.00 0.01 O ATOM 310 C2' DA A 10 -2.415 -6.442 31.034 1.00 0.01 C ATOM 311 C1' DA A 10 -1.331 -5.745 30.225 1.00 0.01 C ATOM 312 N9 DA A 10 -1.704 -4.343 29.950 1.00 0.01 N ATOM 313 C8 DA A 10 -2.899 -3.821 29.568 1.00 0.01 C ATOM 314 N7 DA A 10 -2.962 -2.545 29.394 1.00 0.01 N ATOM 315 C5 DA A 10 -1.653 -2.155 29.690 1.00 0.01 C ATOM 316 C6 DA A 10 -1.019 -0.910 29.700 1.00 0.01 C ATOM 317 N6 DA A 10 -1.647 0.222 29.389 1.00 0.01 N ATOM 318 N1 DA A 10 0.284 -0.879 30.037 1.00 0.01 N ATOM 319 C2 DA A 10 0.926 -2.010 30.345 1.00 0.01 C ATOM 320 N3 DA A 10 0.422 -3.240 30.368 1.00 0.01 N ATOM 321 C4 DA A 10 -0.882 -3.242 30.026 1.00 0.01 C ATOM 0 H5' DA A 10 -3.397 -6.152 27.827 1.00 0.01 H new ATOM 0 H5'' DA A 10 -2.855 -7.508 26.857 1.00 0.01 H new ATOM 0 H4' DA A 10 -1.630 -8.454 28.572 1.00 0.01 H new ATOM 0 H3' DA A 10 -3.844 -7.815 30.193 1.00 0.01 H new ATOM 0 H2' DA A 10 -3.288 -5.801 31.153 1.00 0.01 H new ATOM 0 H2'' DA A 10 -2.060 -6.687 32.035 1.00 0.01 H new ATOM 0 H1' DA A 10 -0.399 -5.735 30.790 1.00 0.01 H new ATOM 0 H8 DA A 10 -3.763 -4.451 29.416 1.00 0.01 H new ATOM 0 H61 DA A 10 -1.142 1.108 29.410 1.00 0.01 H new ATOM 0 H62 DA A 10 -2.633 0.203 29.129 1.00 0.01 H new ATOM 0 H2 DA A 10 1.970 -1.914 30.604 1.00 0.01 H new ATOM 333 P DG A 11 -2.409 -9.099 32.491 1.00 0.01 P ATOM 334 OP1 DG A 11 -2.169 -10.528 32.789 1.00 0.01 O ATOM 335 OP2 DG A 11 -3.662 -8.451 32.943 1.00 0.01 O ATOM 336 O5' DG A 11 -1.166 -8.246 33.060 1.00 0.01 O ATOM 337 C5' DG A 11 0.176 -8.721 32.897 1.00 0.01 C ATOM 338 C4' DG A 11 1.166 -7.922 33.742 1.00 0.01 C ATOM 339 O4' DG A 11 1.340 -6.590 33.224 1.00 0.01 O ATOM 340 C3' DG A 11 0.682 -7.809 35.177 1.00 0.01 C ATOM 341 O3' DG A 11 1.470 -8.624 36.052 1.00 0.01 O ATOM 342 C2' DG A 11 0.789 -6.350 35.550 1.00 0.01 C ATOM 343 C1' DG A 11 1.178 -5.618 34.279 1.00 0.01 C ATOM 344 N9 DG A 11 0.147 -4.630 33.915 1.00 0.01 N ATOM 345 C8 DG A 11 -1.161 -4.827 33.650 1.00 0.01 C ATOM 346 N7 DG A 11 -1.881 -3.794 33.366 1.00 0.01 N ATOM 347 C5 DG A 11 -0.941 -2.763 33.446 1.00 0.01 C ATOM 348 C6 DG A 11 -1.112 -1.362 33.285 1.00 0.01 C ATOM 349 O6 DG A 11 -2.137 -0.745 32.997 1.00 0.01 O ATOM 350 N1 DG A 11 0.077 -0.676 33.503 1.00 0.01 N ATOM 351 C2 DG A 11 1.284 -1.260 33.833 1.00 0.01 C ATOM 352 N2 DG A 11 2.318 -0.433 33.994 1.00 0.01 N ATOM 353 N3 DG A 11 1.453 -2.577 33.989 1.00 0.01 N ATOM 354 C4 DG A 11 0.308 -3.267 33.783 1.00 0.01 C ATOM 0 H5' DG A 11 0.460 -8.656 31.847 1.00 0.01 H new ATOM 0 H5'' DG A 11 0.226 -9.773 33.176 1.00 0.01 H new ATOM 0 H4' DG A 11 2.115 -8.457 33.706 1.00 0.01 H new ATOM 0 H3' DG A 11 -0.345 -8.162 35.272 1.00 0.01 H new ATOM 0 H2' DG A 11 -0.158 -5.977 35.940 1.00 0.01 H new ATOM 0 H2'' DG A 11 1.536 -6.201 36.330 1.00 0.01 H new ATOM 0 HO3' DG A 11 1.140 -8.533 36.970 1.00 0.01 H new ATOM 0 H1' DG A 11 2.113 -5.080 34.434 1.00 0.01 H new ATOM 0 H8 DG A 11 -1.592 -5.817 33.675 1.00 0.01 H new ATOM 0 H1 DG A 11 0.056 0.340 33.412 1.00 0.01 H new ATOM 0 H21 DG A 11 3.236 -0.805 34.238 1.00 0.01 H new ATOM 0 H22 DG A 11 2.191 0.572 33.873 1.00 0.01 H new TER 367 DG A 11 ATOM 368 O5' DC B 12 0.034 7.465 35.225 1.00 0.02 O ATOM 369 C5' DC B 12 1.259 7.765 35.900 1.00 0.02 C ATOM 370 C4' DC B 12 2.419 7.066 35.195 1.00 0.02 C ATOM 371 O4' DC B 12 2.273 5.635 35.264 1.00 0.02 O ATOM 372 C3' DC B 12 2.480 7.472 33.731 1.00 0.02 C ATOM 373 O3' DC B 12 3.754 8.072 33.420 1.00 0.02 O ATOM 374 C2' DC B 12 2.245 6.217 32.936 1.00 0.02 C ATOM 375 C1' DC B 12 2.195 5.077 33.939 1.00 0.02 C ATOM 376 N1 DC B 12 0.943 4.332 33.761 1.00 0.01 N ATOM 377 C2 DC B 12 0.985 2.947 33.805 1.00 0.01 C ATOM 378 O2 DC B 12 2.049 2.361 34.004 1.00 0.01 O ATOM 379 N3 DC B 12 -0.178 2.265 33.615 1.00 0.01 N ATOM 380 C4 DC B 12 -1.330 2.916 33.395 1.00 0.01 C ATOM 381 N4 DC B 12 -2.450 2.214 33.207 1.00 0.01 N ATOM 382 C5 DC B 12 -1.370 4.350 33.353 1.00 0.01 C ATOM 383 C6 DC B 12 -0.210 5.010 33.540 1.00 0.02 C ATOM 0 H5' DC B 12 1.202 7.439 36.939 1.00 0.02 H new ATOM 0 H5'' DC B 12 1.424 8.842 35.912 1.00 0.02 H new ATOM 0 H4' DC B 12 3.336 7.366 35.701 1.00 0.02 H new ATOM 0 H3' DC B 12 1.727 8.223 33.491 1.00 0.02 H new ATOM 0 H2' DC B 12 1.313 6.282 32.375 1.00 0.02 H new ATOM 0 H2'' DC B 12 3.044 6.061 32.211 1.00 0.02 H new ATOM 0 HO5' DC B 12 -0.024 6.500 35.065 1.00 0.02 H new ATOM 0 H1' DC B 12 3.029 4.391 33.788 1.00 0.02 H new ATOM 0 H41 DC B 12 -3.332 2.697 33.039 1.00 0.01 H new ATOM 0 H42 DC B 12 -2.423 1.195 33.232 1.00 0.01 H new ATOM 0 H5 DC B 12 -2.295 4.880 33.178 1.00 0.01 H new ATOM 0 H6 DC B 12 -0.199 6.090 33.514 1.00 0.02 H new ATOM 396 P DT B 13 4.343 8.131 31.910 1.00 0.02 P ATOM 397 OP1 DT B 13 5.514 9.035 31.907 1.00 0.02 O ATOM 398 OP2 DT B 13 3.216 8.385 30.984 1.00 0.02 O ATOM 399 O5' DT B 13 4.867 6.620 31.662 1.00 0.02 O ATOM 400 C5' DT B 13 5.421 5.860 32.744 1.00 0.02 C ATOM 401 C4' DT B 13 6.149 4.599 32.293 1.00 0.02 C ATOM 402 O4' DT B 13 5.246 3.480 32.322 1.00 0.02 O ATOM 403 C3' DT B 13 6.681 4.729 30.878 1.00 0.02 C ATOM 404 O3' DT B 13 7.995 4.145 30.786 1.00 0.02 O ATOM 405 C2' DT B 13 5.676 3.994 30.024 1.00 0.02 C ATOM 406 C1' DT B 13 4.980 3.032 30.983 1.00 0.01 C ATOM 407 N1 DT B 13 3.526 2.979 30.726 1.00 0.01 N ATOM 408 C2 DT B 13 2.936 1.732 30.578 1.00 0.01 C ATOM 409 O2 DT B 13 3.570 0.684 30.687 1.00 0.01 O ATOM 410 N3 DT B 13 1.581 1.732 30.309 1.00 0.01 N ATOM 411 C4 DT B 13 0.778 2.850 30.174 1.00 0.01 C ATOM 412 O4 DT B 13 -0.419 2.733 29.930 1.00 0.01 O ATOM 413 C5 DT B 13 1.477 4.103 30.347 1.00 0.01 C ATOM 414 C7 DT B 13 0.708 5.414 30.197 1.00 0.02 C ATOM 415 C6 DT B 13 2.801 4.129 30.617 1.00 0.01 C ATOM 0 H5' DT B 13 4.620 5.582 33.429 1.00 0.02 H new ATOM 0 H5'' DT B 13 6.114 6.490 33.302 1.00 0.02 H new ATOM 0 H4' DT B 13 6.985 4.450 32.976 1.00 0.02 H new ATOM 0 H3' DT B 13 6.792 5.765 30.557 1.00 0.02 H new ATOM 0 H2' DT B 13 4.964 4.683 29.569 1.00 0.02 H new ATOM 0 H2'' DT B 13 6.165 3.457 29.211 1.00 0.02 H new ATOM 0 H1' DT B 13 5.362 2.022 30.838 1.00 0.01 H new ATOM 0 H3 DT B 13 1.131 0.823 30.200 1.00 0.01 H new ATOM 0 H71 DT B 13 -0.109 5.278 29.489 1.00 0.02 H new ATOM 0 H72 DT B 13 0.304 5.711 31.165 1.00 0.02 H new ATOM 0 H73 DT B 13 1.380 6.190 29.831 1.00 0.02 H new ATOM 0 H6 DT B 13 3.295 5.080 30.749 1.00 0.01 H new ATOM 428 P DT B 14 8.612 3.628 29.385 1.00 0.02 P ATOM 429 OP1 DT B 14 10.069 3.440 29.563 1.00 0.02 O ATOM 430 OP2 DT B 14 8.109 4.503 28.301 1.00 0.02 O ATOM 431 O5' DT B 14 7.930 2.174 29.216 1.00 0.02 O ATOM 432 C5' DT B 14 8.197 1.132 30.164 1.00 0.02 C ATOM 433 C4' DT B 14 7.513 -0.185 29.788 1.00 0.02 C ATOM 434 O4' DT B 14 6.076 -0.032 29.738 1.00 0.01 O ATOM 435 C3' DT B 14 7.970 -0.677 28.416 1.00 0.02 C ATOM 436 O3' DT B 14 8.443 -2.031 28.492 1.00 0.02 O ATOM 437 C2' DT B 14 6.764 -0.575 27.521 1.00 0.02 C ATOM 438 C1' DT B 14 5.582 -0.522 28.473 1.00 0.01 C ATOM 439 N1 DT B 14 4.494 0.331 27.945 1.00 0.01 N ATOM 440 C2 DT B 14 3.268 -0.274 27.723 1.00 0.01 C ATOM 441 O2 DT B 14 3.073 -1.468 27.942 1.00 0.01 O ATOM 442 N3 DT B 14 2.269 0.542 27.236 1.00 0.01 N ATOM 443 C4 DT B 14 2.379 1.889 26.953 1.00 0.01 C ATOM 444 O4 DT B 14 1.412 2.517 26.528 1.00 0.01 O ATOM 445 C5 DT B 14 3.691 2.438 27.211 1.00 0.01 C ATOM 446 C7 DT B 14 3.953 3.915 26.930 1.00 0.01 C ATOM 447 C6 DT B 14 4.688 1.663 27.690 1.00 0.01 C ATOM 0 H5' DT B 14 7.858 1.446 31.151 1.00 0.02 H new ATOM 0 H5'' DT B 14 9.273 0.973 30.233 1.00 0.02 H new ATOM 0 H4' DT B 14 7.790 -0.906 30.557 1.00 0.02 H new ATOM 0 H3' DT B 14 8.799 -0.082 28.033 1.00 0.02 H new ATOM 0 H2' DT B 14 6.809 0.317 26.895 1.00 0.02 H new ATOM 0 H2'' DT B 14 6.695 -1.432 26.851 1.00 0.02 H new ATOM 0 H1' DT B 14 5.148 -1.514 28.594 1.00 0.01 H new ATOM 0 H3 DT B 14 1.361 0.109 27.069 1.00 0.01 H new ATOM 0 H71 DT B 14 3.318 4.247 26.109 1.00 0.01 H new ATOM 0 H72 DT B 14 3.729 4.500 27.822 1.00 0.01 H new ATOM 0 H73 DT B 14 4.999 4.054 26.658 1.00 0.01 H new ATOM 0 H6 DT B 14 5.657 2.102 27.876 1.00 0.01 H new ATOM 460 P DC B 15 8.780 -2.875 27.158 1.00 0.02 P ATOM 461 OP1 DC B 15 9.545 -4.080 27.553 1.00 0.02 O ATOM 462 OP2 DC B 15 9.340 -1.947 26.150 1.00 0.02 O ATOM 463 O5' DC B 15 7.322 -3.347 26.646 1.00 0.02 O ATOM 464 C5' DC B 15 6.660 -4.478 27.231 1.00 0.02 C ATOM 465 C4' DC B 15 5.756 -5.178 26.225 1.00 0.01 C ATOM 466 O4' DC B 15 4.553 -4.416 25.990 1.00 0.01 O ATOM 467 C3' DC B 15 6.474 -5.339 24.892 1.00 0.01 C ATOM 468 O3' DC B 15 6.334 -6.690 24.410 1.00 0.01 O ATOM 469 C2' DC B 15 5.830 -4.325 23.977 1.00 0.01 C ATOM 470 C1' DC B 15 4.463 -4.069 24.594 1.00 0.01 C ATOM 471 N1 DC B 15 4.020 -2.659 24.428 1.00 0.01 N ATOM 472 C2 DC B 15 2.724 -2.442 23.965 1.00 0.01 C ATOM 473 O2 DC B 15 1.988 -3.390 23.697 1.00 0.01 O ATOM 474 N3 DC B 15 2.295 -1.158 23.823 1.00 0.01 N ATOM 475 C4 DC B 15 3.094 -0.127 24.122 1.00 0.01 C ATOM 476 N4 DC B 15 2.638 1.117 23.976 1.00 0.01 N ATOM 477 C5 DC B 15 4.425 -0.342 24.597 1.00 0.01 C ATOM 478 C6 DC B 15 4.845 -1.615 24.735 1.00 0.01 C ATOM 0 H5' DC B 15 6.069 -4.152 28.087 1.00 0.02 H new ATOM 0 H5'' DC B 15 7.403 -5.182 27.606 1.00 0.02 H new ATOM 0 H4' DC B 15 5.500 -6.152 26.642 1.00 0.01 H new ATOM 0 H3' DC B 15 7.548 -5.166 24.962 1.00 0.01 H new ATOM 0 H2' DC B 15 6.419 -3.409 23.923 1.00 0.01 H new ATOM 0 H2'' DC B 15 5.741 -4.708 22.960 1.00 0.01 H new ATOM 0 H1' DC B 15 3.715 -4.677 24.085 1.00 0.01 H new ATOM 0 H41 DC B 15 3.239 1.910 24.201 1.00 0.01 H new ATOM 0 H42 DC B 15 1.688 1.276 23.639 1.00 0.01 H new ATOM 0 H5 DC B 15 5.073 0.488 24.837 1.00 0.01 H new ATOM 0 H6 DC B 15 5.845 -1.812 25.092 1.00 0.01 H new ATOM 490 P DT B 16 6.391 -7.059 22.839 1.00 0.02 P ATOM 491 OP1 DT B 16 6.709 -8.499 22.711 1.00 0.02 O ATOM 492 OP2 DT B 16 7.232 -6.054 22.148 1.00 0.02 O ATOM 493 O5' DT B 16 4.862 -6.837 22.385 1.00 0.01 O ATOM 494 C5' DT B 16 3.809 -7.584 23.006 1.00 0.01 C ATOM 495 C4' DT B 16 2.463 -7.343 22.328 1.00 0.01 C ATOM 496 O4' DT B 16 2.070 -5.959 22.435 1.00 0.01 O ATOM 497 C3' DT B 16 2.528 -7.691 20.848 1.00 0.01 C ATOM 498 O3' DT B 16 1.419 -8.534 20.489 1.00 0.01 O ATOM 499 C2' DT B 16 2.479 -6.364 20.124 1.00 0.01 C ATOM 500 C1' DT B 16 1.848 -5.416 21.118 1.00 0.01 C ATOM 501 N1 DT B 16 2.423 -4.064 20.992 1.00 0.01 N ATOM 502 C2 DT B 16 1.572 -3.039 20.620 1.00 0.01 C ATOM 503 O2 DT B 16 0.375 -3.221 20.404 1.00 0.01 O ATOM 504 N3 DT B 16 2.146 -1.793 20.499 1.00 0.01 N ATOM 505 C4 DT B 16 3.473 -1.479 20.712 1.00 0.01 C ATOM 506 O4 DT B 16 3.869 -0.322 20.582 1.00 0.01 O ATOM 507 C5 DT B 16 4.289 -2.608 21.097 1.00 0.01 C ATOM 508 C7 DT B 16 5.779 -2.400 21.354 1.00 0.01 C ATOM 509 C6 DT B 16 3.752 -3.840 21.227 1.00 0.01 C ATOM 0 H5' DT B 16 3.740 -7.308 24.058 1.00 0.01 H new ATOM 0 H5'' DT B 16 4.048 -8.647 22.970 1.00 0.01 H new ATOM 0 H4' DT B 16 1.737 -7.980 22.833 1.00 0.01 H new ATOM 0 H3' DT B 16 3.430 -8.245 20.588 1.00 0.01 H new ATOM 0 H2' DT B 16 3.476 -6.032 19.836 1.00 0.01 H new ATOM 0 H2'' DT B 16 1.889 -6.432 19.210 1.00 0.01 H new ATOM 0 H1' DT B 16 0.779 -5.319 20.928 1.00 0.01 H new ATOM 0 H3 DT B 16 1.530 -1.027 20.225 1.00 0.01 H new ATOM 0 H71 DT B 16 6.145 -1.582 20.733 1.00 0.01 H new ATOM 0 H72 DT B 16 5.936 -2.156 22.405 1.00 0.01 H new ATOM 0 H73 DT B 16 6.322 -3.313 21.108 1.00 0.01 H new ATOM 0 H6 DT B 16 4.384 -4.665 21.522 1.00 0.01 H new ATOM 522 P DG B 17 0.981 -8.748 18.952 1.00 0.01 P ATOM 523 OP1 DG B 17 0.281 -10.049 18.848 1.00 0.01 O ATOM 524 OP2 DG B 17 2.151 -8.473 18.087 1.00 0.01 O ATOM 525 O5' DG B 17 -0.101 -7.573 18.724 1.00 0.01 O ATOM 526 C5' DG B 17 -1.436 -7.687 19.242 1.00 0.01 C ATOM 527 C4' DG B 17 -2.446 -6.997 18.325 1.00 0.02 C ATOM 528 O4' DG B 17 -2.383 -5.564 18.463 1.00 0.02 O ATOM 529 C3' DG B 17 -2.146 -7.345 16.875 1.00 0.02 C ATOM 530 O3' DG B 17 -3.193 -8.125 16.260 1.00 0.03 O ATOM 531 C2' DG B 17 -1.934 -6.039 16.147 1.00 0.02 C ATOM 532 C1' DG B 17 -2.113 -4.944 17.188 1.00 0.02 C ATOM 533 N9 DG B 17 -0.896 -4.123 17.263 1.00 0.02 N ATOM 534 C8 DG B 17 0.388 -4.515 17.421 1.00 0.02 C ATOM 535 N7 DG B 17 1.296 -3.599 17.465 1.00 0.02 N ATOM 536 C5 DG B 17 0.532 -2.436 17.316 1.00 0.02 C ATOM 537 C6 DG B 17 0.944 -1.079 17.264 1.00 0.02 C ATOM 538 O6 DG B 17 2.080 -0.627 17.357 1.00 0.02 O ATOM 539 N1 DG B 17 -0.134 -0.222 17.084 1.00 0.02 N ATOM 540 C2 DG B 17 -1.452 -0.618 16.968 1.00 0.02 C ATOM 541 N2 DG B 17 -2.349 0.355 16.808 1.00 0.03 N ATOM 542 N3 DG B 17 -1.850 -1.895 17.015 1.00 0.02 N ATOM 543 C4 DG B 17 -0.814 -2.748 17.191 1.00 0.02 C ATOM 0 H5' DG B 17 -1.482 -7.244 20.237 1.00 0.01 H new ATOM 0 H5'' DG B 17 -1.698 -8.739 19.350 1.00 0.01 H new ATOM 0 H4' DG B 17 -3.440 -7.343 18.609 1.00 0.02 H new ATOM 0 H3' DG B 17 -1.257 -7.974 16.824 1.00 0.02 H new ATOM 0 H2' DG B 17 -0.939 -5.997 15.703 1.00 0.02 H new ATOM 0 H2'' DG B 17 -2.651 -5.925 15.334 1.00 0.02 H new ATOM 0 H1' DG B 17 -2.945 -4.296 16.913 1.00 0.02 H new ATOM 0 H8 DG B 17 0.645 -5.560 17.508 1.00 0.02 H new ATOM 0 H1 DG B 17 0.063 0.778 17.034 1.00 0.02 H new ATOM 0 H21 DG B 17 -3.339 0.126 16.716 1.00 0.03 H new ATOM 0 H22 DG B 17 -2.046 1.328 16.777 1.00 0.03 H new ATOM 555 P DG B 18 -4.771 -7.756 16.331 1.00 0.03 P ATOM 556 OP1 DG B 18 -5.148 -7.597 17.754 1.00 0.04 O ATOM 557 OP2 DG B 18 -5.499 -8.730 15.489 1.00 0.04 O ATOM 558 O5' DG B 18 -4.881 -6.315 15.615 1.00 0.02 O ATOM 559 C5' DG B 18 -5.836 -5.351 16.082 1.00 0.04 C ATOM 560 C4' DG B 18 -5.912 -4.128 15.171 1.00 0.04 C ATOM 561 O4' DG B 18 -4.680 -3.381 15.203 1.00 0.04 O ATOM 562 C3' DG B 18 -6.175 -4.533 13.720 1.00 0.04 C ATOM 563 O3' DG B 18 -7.425 -3.975 13.264 1.00 0.07 O ATOM 564 C2' DG B 18 -4.993 -3.995 12.930 1.00 0.03 C ATOM 565 C1' DG B 18 -4.332 -2.999 13.865 1.00 0.04 C ATOM 566 N9 DG B 18 -2.870 -2.966 13.674 1.00 0.08 N ATOM 567 C8 DG B 18 -1.971 -3.980 13.634 1.00 0.12 C ATOM 568 N7 DG B 18 -0.731 -3.672 13.454 1.00 0.15 N ATOM 569 C5 DG B 18 -0.796 -2.280 13.359 1.00 0.15 C ATOM 570 C6 DG B 18 0.235 -1.337 13.115 1.00 0.18 C ATOM 571 O6 DG B 18 1.437 -1.542 12.972 1.00 0.21 O ATOM 572 N1 DG B 18 -0.263 -0.044 13.043 1.00 0.18 N ATOM 573 C2 DG B 18 -1.590 0.308 13.188 1.00 0.16 C ATOM 574 N2 DG B 18 -1.874 1.605 13.080 1.00 0.19 N ATOM 575 N3 DG B 18 -2.566 -0.573 13.417 1.00 0.12 N ATOM 576 C4 DG B 18 -2.103 -1.841 13.492 1.00 0.11 C ATOM 0 H5' DG B 18 -5.568 -5.035 17.090 1.00 0.04 H new ATOM 0 H5'' DG B 18 -6.819 -5.817 16.145 1.00 0.04 H new ATOM 0 H4' DG B 18 -6.733 -3.514 15.541 1.00 0.04 H new ATOM 0 H3' DG B 18 -6.264 -5.613 13.599 1.00 0.04 H new ATOM 0 H2' DG B 18 -4.306 -4.794 12.651 1.00 0.03 H new ATOM 0 H2'' DG B 18 -5.318 -3.517 12.006 1.00 0.03 H new ATOM 0 H1' DG B 18 -4.683 -1.989 13.655 1.00 0.04 H new ATOM 0 H8 DG B 18 -2.281 -5.008 13.749 1.00 0.12 H new ATOM 0 H1 DG B 18 0.405 0.707 12.869 1.00 0.18 H new ATOM 0 H21 DG B 18 -2.837 1.926 13.178 1.00 0.19 H new ATOM 0 H22 DG B 18 -1.128 2.277 12.900 1.00 0.19 H new ATOM 588 P DT B 19 -7.732 -3.687 11.700 1.00 0.08 P ATOM 589 OP1 DT B 19 -9.197 -3.565 11.531 1.00 0.12 O ATOM 590 OP2 DT B 19 -6.976 -4.665 10.884 1.00 0.09 O ATOM 591 O5' DT B 19 -7.077 -2.228 11.478 1.00 0.05 O ATOM 592 C5' DT B 19 -7.268 -1.204 12.464 1.00 0.05 C ATOM 593 C4' DT B 19 -7.115 0.211 11.900 1.00 0.04 C ATOM 594 O4' DT B 19 -5.733 0.610 11.885 1.00 0.04 O ATOM 595 C3' DT B 19 -7.625 0.302 10.473 1.00 0.03 C ATOM 596 O3' DT B 19 -8.317 1.542 10.273 1.00 0.03 O ATOM 597 C2' DT B 19 -6.400 0.221 9.622 1.00 0.02 C ATOM 598 C1' DT B 19 -5.277 0.718 10.524 1.00 0.02 C ATOM 599 N1 DT B 19 -4.049 -0.070 10.336 1.00 0.02 N ATOM 600 C2 DT B 19 -2.871 0.619 10.100 1.00 0.02 C ATOM 601 O2 DT B 19 -2.825 1.846 10.034 1.00 0.02 O ATOM 602 N3 DT B 19 -1.742 -0.156 9.936 1.00 0.02 N ATOM 603 C4 DT B 19 -1.689 -1.537 9.980 1.00 0.02 C ATOM 604 O4 DT B 19 -0.623 -2.124 9.819 1.00 0.02 O ATOM 605 C5 DT B 19 -2.966 -2.170 10.230 1.00 0.02 C ATOM 606 C7 DT B 19 -3.050 -3.692 10.281 1.00 0.03 C ATOM 607 C6 DT B 19 -4.084 -1.434 10.401 1.00 0.02 C ATOM 0 H5' DT B 19 -6.549 -1.347 13.271 1.00 0.05 H new ATOM 0 H5'' DT B 19 -8.261 -1.309 12.900 1.00 0.05 H new ATOM 0 H4' DT B 19 -7.699 0.864 12.548 1.00 0.04 H new ATOM 0 H3' DT B 19 -8.335 -0.489 10.230 1.00 0.03 H new ATOM 0 H2' DT B 19 -6.217 -0.799 9.286 1.00 0.02 H new ATOM 0 H2'' DT B 19 -6.495 0.839 8.729 1.00 0.02 H new ATOM 0 H1' DT B 19 -5.035 1.751 10.275 1.00 0.02 H new ATOM 0 H3 DT B 19 -0.864 0.335 9.766 1.00 0.02 H new ATOM 0 H71 DT B 19 -2.289 -4.120 9.628 1.00 0.03 H new ATOM 0 H72 DT B 19 -2.884 -4.031 11.303 1.00 0.03 H new ATOM 0 H73 DT B 19 -4.037 -4.013 9.948 1.00 0.03 H new ATOM 0 H6 DT B 19 -5.023 -1.932 10.593 1.00 0.02 H new ATOM 620 P DC B 20 -8.932 1.959 8.842 1.00 0.03 P ATOM 621 OP1 DC B 20 -10.384 2.185 8.999 1.00 0.04 O ATOM 622 OP2 DC B 20 -8.445 0.998 7.824 1.00 0.03 O ATOM 623 O5' DC B 20 -8.226 3.376 8.541 1.00 0.02 O ATOM 624 C5' DC B 20 -6.883 3.661 8.962 1.00 0.02 C ATOM 625 C4' DC B 20 -6.187 4.531 7.924 1.00 0.02 C ATOM 626 O4' DC B 20 -4.755 4.366 7.983 1.00 0.02 O ATOM 627 C3' DC B 20 -6.638 4.109 6.538 1.00 0.02 C ATOM 628 O3' DC B 20 -7.499 5.089 5.943 1.00 0.03 O ATOM 629 C2' DC B 20 -5.396 3.894 5.734 1.00 0.02 C ATOM 630 C1' DC B 20 -4.279 3.828 6.730 1.00 0.02 C ATOM 631 N1 DC B 20 -3.810 2.432 6.881 1.00 0.02 N ATOM 632 C2 DC B 20 -2.441 2.193 6.838 1.00 0.02 C ATOM 633 O2 DC B 20 -1.649 3.125 6.707 1.00 0.02 O ATOM 634 N3 DC B 20 -2.010 0.906 6.942 1.00 0.02 N ATOM 635 C4 DC B 20 -2.878 -0.104 7.083 1.00 0.02 C ATOM 636 N4 DC B 20 -2.420 -1.353 7.184 1.00 0.02 N ATOM 637 C5 DC B 20 -4.285 0.138 7.130 1.00 0.01 C ATOM 638 C6 DC B 20 -4.703 1.412 7.026 1.00 0.01 C ATOM 0 H5' DC B 20 -6.331 2.731 9.099 1.00 0.02 H new ATOM 0 H5'' DC B 20 -6.895 4.170 9.926 1.00 0.02 H new ATOM 0 H4' DC B 20 -6.444 5.570 8.130 1.00 0.02 H new ATOM 0 H3' DC B 20 -7.228 3.194 6.582 1.00 0.02 H new ATOM 0 H2' DC B 20 -5.459 2.973 5.154 1.00 0.02 H new ATOM 0 H2'' DC B 20 -5.242 4.708 5.025 1.00 0.02 H new ATOM 0 H1' DC B 20 -3.429 4.418 6.388 1.00 0.02 H new ATOM 0 H41 DC B 20 -3.074 -2.129 7.292 1.00 0.02 H new ATOM 0 H42 DC B 20 -1.416 -1.532 7.154 1.00 0.02 H new ATOM 0 H5 DC B 20 -4.988 -0.674 7.245 1.00 0.01 H new ATOM 0 H6 DC B 20 -5.760 1.630 7.058 1.00 0.01 H new ATOM 650 P DC B 21 -8.004 4.939 4.416 1.00 0.03 P ATOM 651 OP1 DC B 21 -9.184 5.811 4.227 1.00 0.06 O ATOM 652 OP2 DC B 21 -8.093 3.496 4.093 1.00 0.05 O ATOM 653 O5' DC B 21 -6.773 5.565 3.590 1.00 0.05 O ATOM 654 C5' DC B 21 -6.215 6.821 3.987 1.00 0.05 C ATOM 655 C4' DC B 21 -4.768 6.974 3.527 1.00 0.04 C ATOM 656 O4' DC B 21 -3.988 5.831 3.938 1.00 0.06 O ATOM 657 C3' DC B 21 -4.673 7.073 2.012 1.00 0.04 C ATOM 658 O3' DC B 21 -3.716 8.082 1.649 1.00 0.08 O ATOM 659 C2' DC B 21 -4.228 5.702 1.560 1.00 0.05 C ATOM 660 C1' DC B 21 -3.514 5.119 2.776 1.00 0.05 C ATOM 661 N1 DC B 21 -3.757 3.661 2.911 1.00 0.04 N ATOM 662 C2 DC B 21 -2.645 2.831 3.026 1.00 0.06 C ATOM 663 O2 DC B 21 -1.509 3.304 3.032 1.00 0.07 O ATOM 664 N3 DC B 21 -2.849 1.490 3.144 1.00 0.06 N ATOM 665 C4 DC B 21 -4.087 0.978 3.149 1.00 0.04 C ATOM 666 N4 DC B 21 -4.249 -0.340 3.273 1.00 0.05 N ATOM 667 C5 DC B 21 -5.234 1.823 3.031 1.00 0.03 C ATOM 668 C6 DC B 21 -5.026 3.153 2.917 1.00 0.03 C ATOM 0 H5' DC B 21 -6.262 6.912 5.072 1.00 0.05 H new ATOM 0 H5'' DC B 21 -6.815 7.631 3.573 1.00 0.05 H new ATOM 0 H4' DC B 21 -4.386 7.889 3.980 1.00 0.04 H new ATOM 0 H3' DC B 21 -5.616 7.357 1.545 1.00 0.04 H new ATOM 0 H2' DC B 21 -5.077 5.086 1.263 1.00 0.05 H new ATOM 0 H2'' DC B 21 -3.562 5.763 0.699 1.00 0.05 H new ATOM 0 H1' DC B 21 -2.436 5.239 2.664 1.00 0.05 H new ATOM 0 H41 DC B 21 -5.187 -0.740 3.278 1.00 0.05 H new ATOM 0 H42 DC B 21 -3.435 -0.948 3.363 1.00 0.05 H new ATOM 0 H5 DC B 21 -6.233 1.412 3.033 1.00 0.03 H new ATOM 0 H6 DC B 21 -5.870 3.821 2.830 1.00 0.03 H new ATOM 680 P DG B 22 -3.317 8.375 0.112 1.00 0.08 P ATOM 681 OP1 DG B 22 -3.537 9.814 -0.155 1.00 0.14 O ATOM 682 OP2 DG B 22 -3.964 7.359 -0.749 1.00 0.11 O ATOM 683 O5' DG B 22 -1.728 8.097 0.112 1.00 0.12 O ATOM 684 C5' DG B 22 -0.857 8.862 0.955 1.00 0.10 C ATOM 685 C4' DG B 22 0.597 8.388 0.874 1.00 0.12 C ATOM 686 O4' DG B 22 0.792 7.181 1.641 1.00 0.19 O ATOM 687 C3' DG B 22 0.997 8.094 -0.565 1.00 0.12 C ATOM 688 O3' DG B 22 1.862 9.110 -1.083 1.00 0.19 O ATOM 689 C2' DG B 22 1.690 6.754 -0.530 1.00 0.16 C ATOM 690 C1' DG B 22 1.251 6.119 0.779 1.00 0.16 C ATOM 691 N9 DG B 22 0.173 5.150 0.547 1.00 0.23 N ATOM 692 C8 DG B 22 -1.148 5.377 0.426 1.00 0.16 C ATOM 693 N7 DG B 22 -1.918 4.362 0.222 1.00 0.27 N ATOM 694 C5 DG B 22 -0.998 3.310 0.204 1.00 0.24 C ATOM 695 C6 DG B 22 -1.217 1.914 0.064 1.00 0.28 C ATOM 696 O6 DG B 22 -2.280 1.322 -0.113 1.00 0.38 O ATOM 697 N1 DG B 22 -0.027 1.202 0.155 1.00 0.28 N ATOM 698 C2 DG B 22 1.221 1.759 0.353 1.00 0.30 C ATOM 699 N2 DG B 22 2.246 0.909 0.407 1.00 0.24 N ATOM 700 N3 DG B 22 1.435 3.071 0.486 1.00 0.21 N ATOM 701 C4 DG B 22 0.290 3.786 0.402 1.00 0.27 C ATOM 0 H5' DG B 22 -1.202 8.794 1.987 1.00 0.10 H new ATOM 0 H5'' DG B 22 -0.910 9.913 0.670 1.00 0.10 H new ATOM 0 H4' DG B 22 1.213 9.192 1.277 1.00 0.12 H new ATOM 0 H3' DG B 22 0.128 8.078 -1.223 1.00 0.12 H new ATOM 0 H2' DG B 22 1.403 6.139 -1.383 1.00 0.16 H new ATOM 0 H2'' DG B 22 2.773 6.869 -0.569 1.00 0.16 H new ATOM 0 HO3' DG B 22 2.104 8.894 -2.008 1.00 0.19 H new ATOM 0 H1' DG B 22 2.081 5.582 1.238 1.00 0.16 H new ATOM 0 H8 DG B 22 -1.551 6.377 0.497 1.00 0.16 H new ATOM 0 H1 DG B 22 -0.080 0.187 0.069 1.00 0.28 H new ATOM 0 H21 DG B 22 3.193 1.260 0.551 1.00 0.24 H new ATOM 0 H22 DG B 22 2.084 -0.093 0.304 1.00 0.24 H new TER 714 DG B 22 CONECT 135 157 CONECT 157 135 158 159 160 CONECT 158 157 CONECT 159 157 CONECT 160 157 161 CONECT 161 160 162 185 186 CONECT 162 161 163 183 187 CONECT 163 162 164 CONECT 164 163 165 182 188 CONECT 165 164 166 181 CONECT 166 165 167 179 CONECT 167 166 168 CONECT 168 167 169 189 539 CONECT 169 168 170 538 539 CONECT 170 169 171 179 CONECT 171 170 172 190 CONECT 172 171 173 191 192 CONECT 173 172 174 175 193 CONECT 174 173 194 CONECT 175 173 176 177 195 CONECT 176 175 196 CONECT 177 175 178 197 198 CONECT 178 177 199 CONECT 179 166 170 180 CONECT 180 179 181 CONECT 181 165 180 200 CONECT 182 164 183 201 202 CONECT 183 162 182 184 203 CONECT 184 183 204 CONECT 185 161 CONECT 186 161 CONECT 187 162 CONECT 188 164 CONECT 189 168 CONECT 190 171 CONECT 191 172 CONECT 192 172 CONECT 193 173 CONECT 194 174 CONECT 195 175 CONECT 196 176 CONECT 197 177 CONECT 198 177 CONECT 199 178 CONECT 200 181 CONECT 201 182 CONECT 202 182 CONECT 203 183 CONECT 204 184 CONECT 538 169 CONECT 539 168 169 END