USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 260 hydrogens (30 hets) HEADER DNA 02-SEP-04 1XCI TITLE MISPAIR ALIGNED N3T-BUTYL-N3T INTERSTRAND CROSSLINK COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*AP*AP*(TTM)P*TP*TP*TP*CP*G)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS INTERSTRAND CROSS-LINK, DOUBLE HELIX, DNA EXPDTA SOLUTION NMR AUTHOR M.W.DA SILVA,R.G.BIERBRYER,C.J.WILDS,A.M.NORONHA,O.M.COLVIN, AUTHOR 2 P.S.MILLER,M.P.GAMCSIK REVDAT 2 24-FEB-09 1XCI 1 VERSN REVDAT 1 16-AUG-05 1XCI 0 JRNL AUTH M.W.DA SILVA,R.G.BIERBRYER,C.J.WILDS,A.M.NORONHA, JRNL AUTH 2 O.M.COLVIN,P.S.MILLER,M.P.GAMCSIK JRNL TITL INTRASTRAND BASE-STACKING BUTTRESSES WIDENING OF JRNL TITL 2 MAJOR GROOVE IN INTERSTRAND CROSS-LINKED B-DNA. JRNL REF BIOORG.MED.CHEM. V. 13 4580 2005 JRNL REFN ISSN 0968-0896 JRNL PMID 15953553 JRNL DOI 10.1016/J.BMC.2005.03.032 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 2.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1XCI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-SEP-04. REMARK 100 THE RCSB ID CODE IS RCSB030202. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 20; 0 REMARK 210 PH : 7.4; 7.4 REMARK 210 IONIC STRENGTH : 100 MM NACL; 100 MM NACL REMARK 210 PRESSURE : NORMAL; NORMAL REMARK 210 SAMPLE CONTENTS : 1.5 MM SAMPLE IN 100 MM NACL, REMARK 210 50 MM PHOSPHATE PH 7.4, D2O; REMARK 210 1.5 MM SAMPLE IN 100 MM NACL, REMARK 210 50 MM PHOSPHATE PH 7.4, H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, 2D TOCSY, 2D NOESY, REMARK 210 JR-NOESY, 31P,1H HETCOR REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN 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 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURE DETERMINED USING STANDARD NMR TECHNIQUES REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 1 C4' - C3' - C2' ANGL. DEV. = -4.6 DEGREES REMARK 500 DC A 1 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES REMARK 500 DA A 3 C3' - C2' - C1' ANGL. DEV. = -6.2 DEGREES REMARK 500 DA A 3 N1 - C6 - N6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA A 4 C4' - C3' - C2' ANGL. DEV. = -4.5 DEGREES REMARK 500 DA A 4 C3' - C2' - C1' ANGL. DEV. = -8.0 DEGREES REMARK 500 DA A 4 O4' - C1' - C2' ANGL. DEV. = -6.5 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 6.7 DEGREES REMARK 500 DA A 3 C3' - O3' - P ANGL. DEV. = 8.1 DEGREES REMARK 500 DA A 5 C3' - C2' - C1' ANGL. DEV. = -6.1 DEGREES REMARK 500 DA A 5 N1 - C6 - N6 ANGL. DEV. = 5.0 DEGREES REMARK 500 DT A 7 C4 - C5 - C6 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 8 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES REMARK 500 DT A 8 C4 - C5 - C6 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -5.8 DEGREES REMARK 500 DT A 9 O4' - C4' - C3' ANGL. DEV. = -2.5 DEGREES REMARK 500 DT A 9 C3' - C2' - C1' ANGL. DEV. = -10.3 DEGREES REMARK 500 DT A 9 O4' - C1' - C2' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT A 9 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 9 C4 - C5 - C6 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 9 C6 - C5 - C7 ANGL. DEV. = -4.2 DEGREES REMARK 500 DC A 10 C3' - C2' - C1' ANGL. DEV. = -6.2 DEGREES REMARK 500 DG A 11 O4' - C4' - C3' ANGL. DEV. = -3.6 DEGREES REMARK 500 DG A 11 C3' - C2' - C1' ANGL. DEV. = -8.4 DEGREES REMARK 500 DC B 1 C3' - C2' - C1' ANGL. DEV. = -6.6 DEGREES REMARK 500 DC B 1 O4' - C1' - C2' ANGL. DEV. = -5.8 DEGREES REMARK 500 DG B 2 O4' - C4' - C3' ANGL. DEV. = -3.1 DEGREES REMARK 500 DG B 2 C3' - C2' - C1' ANGL. DEV. = -10.6 DEGREES REMARK 500 DA B 3 C3' - C2' - C1' ANGL. DEV. = -6.5 DEGREES REMARK 500 DA B 3 N1 - C6 - N6 ANGL. DEV. = 4.4 DEGREES REMARK 500 DA B 4 C3' - C2' - C1' ANGL. DEV. = -9.1 DEGREES REMARK 500 DA B 4 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA B 3 C3' - O3' - P ANGL. DEV. = 7.5 DEGREES REMARK 500 DA B 5 C3' - C2' - C1' ANGL. DEV. = -7.2 DEGREES REMARK 500 DA B 5 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 5 N1 - C6 - N6 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 7 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES REMARK 500 DT B 8 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DT B 8 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES REMARK 500 DT B 8 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DT B 9 C3' - C2' - C1' ANGL. DEV. = -9.5 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 DC B 10 C3' - C2' - C1' ANGL. DEV. = -6.9 DEGREES REMARK 500 DG B 11 O4' - C4' - C3' ANGL. DEV. = -3.7 DEGREES REMARK 500 DG B 11 C3' - C2' - C1' ANGL. DEV. = -9.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1XCI A 1 11 PDB 1XCI 1XCI 1 11 DBREF 1XCI B 1 11 PDB 1XCI 1XCI 1 11 SEQRES 1 A 11 DC DG DA DA DA TTM DT DT DT DC DG SEQRES 1 B 11 DC DG DA DA DA TTM DT DT DT DC DG MODRES 1XCI TTM A 6 DT N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE MODRES 1XCI TTM B 6 DT N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE HET TTM A 6 37 HET TTM B 6 37 HETNAM TTM N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE FORMUL 1 TTM 2(C12 H19 N2 O8 P) LINK C2Q TTM A 6 C2Q TTM B 6 1555 1555 1.62 LINK O3' DA A 5 P TTM A 6 1555 1555 1.60 LINK O3' TTM A 6 P DT A 7 1555 1555 1.60 LINK O3' DA B 5 P TTM B 6 1555 1555 1.60 LINK O3' TTM B 6 P DT B 7 1555 1555 1.60 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 TTM H4Q : A 6 TTM C2Q : B 6 TTM C2Q :(H bumps) USER MOD NoAdj-H: A 6 TTM H2 : A 6 TTM C2Q : B 6 TTM C2Q :(H bumps) USER MOD NoAdj-H: B 6 TTM H3Q : B 6 TTM C2Q : A 6 TTM C2Q :(H bumps) USER MOD NoAdj-H: B 6 TTM H2 : B 6 TTM C2Q : A 6 TTM C2Q :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.215 (180deg=-2.78!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0384 (180deg=-2.9!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.809 (180deg=-2.02) USER MOD Single : A 11 DG O3' : rot -3:sc= 0.906 USER MOD Single : B 1 DC O5' : rot -9:sc= 1.07 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -2.32! (180deg=-2.99!) USER MOD Single : B 9 DT C7 :methyl -30:sc= -1.92 (180deg=-2.67!) USER MOD Single : B 11 DG O3' : rot -5:sc= 0.0239 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -1.833 -13.967 -1.026 1.00 0.58 O ATOM 2 C5' DC A 1 -1.862 -12.557 -1.230 1.00 0.51 C ATOM 3 C4' DC A 1 -0.613 -11.904 -0.650 1.00 0.40 C ATOM 4 O4' DC A 1 -0.722 -10.494 -0.824 1.00 0.36 O ATOM 5 C3' DC A 1 -0.338 -12.063 0.848 1.00 0.40 C ATOM 6 O3' DC A 1 0.932 -11.654 1.363 1.00 0.35 O ATOM 7 C2' DC A 1 -1.329 -11.023 1.345 1.00 0.38 C ATOM 8 C1' DC A 1 -0.829 -9.870 0.462 1.00 0.31 C ATOM 9 N1 DC A 1 -1.748 -8.706 0.311 1.00 0.28 N ATOM 10 C2 DC A 1 -1.194 -7.499 -0.072 1.00 0.25 C ATOM 11 O2 DC A 1 0.008 -7.379 -0.269 1.00 0.25 O ATOM 12 N3 DC A 1 -2.011 -6.422 -0.231 1.00 0.23 N ATOM 13 C4 DC A 1 -3.332 -6.506 -0.025 1.00 0.25 C ATOM 14 N4 DC A 1 -4.085 -5.409 -0.202 1.00 0.25 N ATOM 15 C5 DC A 1 -3.923 -7.751 0.374 1.00 0.28 C ATOM 16 C6 DC A 1 -3.098 -8.814 0.528 1.00 0.29 C ATOM 0 H5' DC A 1 -2.751 -12.135 -0.761 1.00 0.51 H new ATOM 0 H5'' DC A 1 -1.931 -12.340 -2.296 1.00 0.51 H new ATOM 0 H4' DC A 1 0.189 -12.416 -1.182 1.00 0.40 H new ATOM 0 H3' DC A 1 -0.393 -13.114 1.133 1.00 0.40 H new ATOM 0 H2' DC A 1 -2.368 -11.292 1.156 1.00 0.38 H new ATOM 0 H2'' DC A 1 -1.242 -10.819 2.412 1.00 0.38 H new ATOM 0 HO5' DC A 1 -2.643 -14.369 -1.403 1.00 0.58 H new ATOM 0 H1' DC A 1 0.074 -9.448 0.903 1.00 0.31 H new ATOM 0 H41 DC A 1 -5.093 -5.452 -0.050 1.00 0.25 H new ATOM 0 H42 DC A 1 -3.649 -4.532 -0.488 1.00 0.25 H new ATOM 0 H5 DC A 1 -4.986 -7.837 0.545 1.00 0.28 H new ATOM 0 H6 DC A 1 -3.511 -9.766 0.828 1.00 0.29 H new ATOM 29 P DG A 2 2.317 -11.766 0.549 1.00 0.35 P ATOM 30 OP1 DG A 2 2.084 -12.459 -0.738 1.00 0.40 O ATOM 31 OP2 DG A 2 3.350 -12.278 1.477 1.00 0.38 O ATOM 32 O5' DG A 2 2.620 -10.230 0.269 1.00 0.31 O ATOM 33 C5' DG A 2 3.894 -9.880 -0.249 1.00 0.31 C ATOM 34 C4' DG A 2 4.606 -8.869 0.611 1.00 0.27 C ATOM 35 O4' DG A 2 3.594 -7.977 1.037 1.00 0.24 O ATOM 36 C3' DG A 2 5.252 -9.329 1.846 1.00 0.28 C ATOM 37 O3' DG A 2 6.120 -8.401 2.527 1.00 0.29 O ATOM 38 C2' DG A 2 4.052 -9.463 2.704 1.00 0.27 C ATOM 39 C1' DG A 2 3.473 -8.087 2.455 1.00 0.23 C ATOM 40 N9 DG A 2 2.029 -7.948 2.699 1.00 0.22 N ATOM 41 C8 DG A 2 1.094 -8.850 3.139 1.00 0.24 C ATOM 42 N7 DG A 2 -0.118 -8.357 3.212 1.00 0.23 N ATOM 43 C5 DG A 2 0.035 -7.044 2.791 1.00 0.21 C ATOM 44 C6 DG A 2 -0.924 -6.010 2.655 1.00 0.20 C ATOM 45 O6 DG A 2 -2.132 -6.064 2.887 1.00 0.22 O ATOM 46 N1 DG A 2 -0.345 -4.825 2.194 1.00 0.18 N ATOM 47 C2 DG A 2 1.012 -4.664 1.901 1.00 0.18 C ATOM 48 N2 DG A 2 1.492 -3.492 1.473 1.00 0.18 N ATOM 49 N3 DG A 2 1.892 -5.651 2.038 1.00 0.20 N ATOM 50 C4 DG A 2 1.343 -6.796 2.480 1.00 0.20 C ATOM 0 H5' DG A 2 3.776 -9.478 -1.255 1.00 0.31 H new ATOM 0 H5'' DG A 2 4.507 -10.777 -0.334 1.00 0.31 H new ATOM 0 H4' DG A 2 5.417 -8.485 -0.008 1.00 0.27 H new ATOM 0 H3' DG A 2 5.893 -10.186 1.638 1.00 0.28 H new ATOM 0 H2' DG A 2 3.389 -10.269 2.388 1.00 0.27 H new ATOM 0 H2'' DG A 2 4.294 -9.641 3.752 1.00 0.27 H new ATOM 0 H1' DG A 2 3.975 -7.367 3.102 1.00 0.23 H new ATOM 0 H8 DG A 2 1.334 -9.870 3.401 1.00 0.24 H new ATOM 0 H1 DG A 2 -0.957 -4.019 2.062 1.00 0.18 H new ATOM 0 H21 DG A 2 2.486 -3.393 1.264 1.00 0.18 H new ATOM 0 H22 DG A 2 0.865 -2.696 1.355 1.00 0.18 H new ATOM 62 P DA A 3 6.993 -7.240 1.805 1.00 0.27 P ATOM 63 OP1 DA A 3 7.240 -7.650 0.403 1.00 0.34 O ATOM 64 OP2 DA A 3 8.147 -6.944 2.684 1.00 0.35 O ATOM 65 O5' DA A 3 6.058 -5.937 1.791 1.00 0.30 O ATOM 66 C5' DA A 3 6.116 -5.066 0.661 1.00 0.26 C ATOM 67 C4' DA A 3 5.836 -3.609 1.032 1.00 0.23 C ATOM 68 O4' DA A 3 4.588 -3.568 1.716 1.00 0.21 O ATOM 69 C3' DA A 3 6.784 -2.914 1.987 1.00 0.24 C ATOM 70 O3' DA A 3 6.691 -1.478 2.037 1.00 0.27 O ATOM 71 C2' DA A 3 6.269 -3.489 3.289 1.00 0.22 C ATOM 72 C1' DA A 3 4.808 -3.125 3.064 1.00 0.20 C ATOM 73 N9 DA A 3 3.855 -3.862 3.901 1.00 0.18 N ATOM 74 C8 DA A 3 4.008 -5.064 4.533 1.00 0.19 C ATOM 75 N7 DA A 3 2.941 -5.468 5.176 1.00 0.19 N ATOM 76 C5 DA A 3 2.024 -4.453 4.945 1.00 0.16 C ATOM 77 C6 DA A 3 0.699 -4.272 5.348 1.00 0.15 C ATOM 78 N6 DA A 3 0.067 -5.181 6.106 1.00 0.17 N ATOM 79 N1 DA A 3 0.106 -3.148 4.931 1.00 0.15 N ATOM 80 C2 DA A 3 0.746 -2.260 4.177 1.00 0.15 C ATOM 81 N3 DA A 3 1.988 -2.333 3.745 1.00 0.15 N ATOM 82 C4 DA A 3 2.577 -3.470 4.170 1.00 0.16 C ATOM 0 H5' DA A 3 5.391 -5.394 -0.084 1.00 0.26 H new ATOM 0 H5'' DA A 3 7.101 -5.138 0.201 1.00 0.26 H new ATOM 0 H4' DA A 3 5.911 -3.096 0.073 1.00 0.23 H new ATOM 0 H3' DA A 3 7.828 -3.075 1.719 1.00 0.24 H new ATOM 0 H2' DA A 3 6.438 -4.562 3.385 1.00 0.22 H new ATOM 0 H2'' DA A 3 6.702 -3.018 4.171 1.00 0.22 H new ATOM 0 H1' DA A 3 4.650 -2.069 3.286 1.00 0.20 H new ATOM 0 H8 DA A 3 4.927 -5.630 4.505 1.00 0.19 H new ATOM 0 H61 DA A 3 -0.901 -5.026 6.388 1.00 0.17 H new ATOM 0 H62 DA A 3 0.555 -6.027 6.401 1.00 0.17 H new ATOM 0 H2 DA A 3 0.187 -1.383 3.887 1.00 0.15 H new ATOM 94 P DA A 4 5.960 -0.485 0.968 1.00 0.24 P ATOM 95 OP1 DA A 4 5.720 -1.171 -0.322 1.00 0.30 O ATOM 96 OP2 DA A 4 6.718 0.787 0.970 1.00 0.32 O ATOM 97 O5' DA A 4 4.557 -0.209 1.681 1.00 0.27 O ATOM 98 C5' DA A 4 4.144 1.153 1.750 1.00 0.24 C ATOM 99 C4' DA A 4 4.262 1.770 3.126 1.00 0.22 C ATOM 100 O4' DA A 4 3.521 1.045 4.117 1.00 0.22 O ATOM 101 C3' DA A 4 5.668 1.760 3.661 1.00 0.23 C ATOM 102 O3' DA A 4 6.022 2.644 4.733 1.00 0.23 O ATOM 103 C2' DA A 4 5.656 0.376 4.232 1.00 0.22 C ATOM 104 C1' DA A 4 4.457 0.623 5.112 1.00 0.20 C ATOM 105 N9 DA A 4 4.069 -0.580 5.857 1.00 0.20 N ATOM 106 C8 DA A 4 4.846 -1.678 6.062 1.00 0.24 C ATOM 107 N7 DA A 4 4.276 -2.614 6.773 1.00 0.24 N ATOM 108 C5 DA A 4 3.025 -2.083 7.054 1.00 0.20 C ATOM 109 C6 DA A 4 1.941 -2.585 7.773 1.00 0.19 C ATOM 110 N6 DA A 4 1.988 -3.789 8.346 1.00 0.23 N ATOM 111 N1 DA A 4 0.845 -1.811 7.867 1.00 0.16 N ATOM 112 C2 DA A 4 0.834 -0.614 7.279 1.00 0.14 C ATOM 113 N3 DA A 4 1.798 -0.042 6.577 1.00 0.15 N ATOM 114 C4 DA A 4 2.884 -0.841 6.501 1.00 0.18 C ATOM 0 H5' DA A 4 3.107 1.223 1.421 1.00 0.24 H new ATOM 0 H5'' DA A 4 4.741 1.738 1.050 1.00 0.24 H new ATOM 0 H4' DA A 4 3.888 2.783 2.975 1.00 0.22 H new ATOM 0 H3' DA A 4 6.368 2.063 2.883 1.00 0.23 H new ATOM 0 H2' DA A 4 5.503 -0.406 3.488 1.00 0.22 H new ATOM 0 H2'' DA A 4 6.561 0.119 4.783 1.00 0.22 H new ATOM 0 H1' DA A 4 4.587 1.343 5.920 1.00 0.20 H new ATOM 0 H8 DA A 4 5.848 -1.768 5.670 1.00 0.24 H new ATOM 0 H61 DA A 4 1.184 -4.137 8.868 1.00 0.23 H new ATOM 0 H62 DA A 4 2.828 -4.361 8.262 1.00 0.23 H new ATOM 0 H2 DA A 4 -0.075 -0.041 7.390 1.00 0.14 H new ATOM 126 P DA A 5 5.332 4.089 4.928 1.00 0.18 P ATOM 127 OP1 DA A 5 5.007 4.649 3.598 1.00 0.22 O ATOM 128 OP2 DA A 5 6.167 4.869 5.870 1.00 0.25 O ATOM 129 O5' DA A 5 3.970 3.729 5.671 1.00 0.18 O ATOM 130 C5' DA A 5 2.782 4.303 5.143 1.00 0.17 C ATOM 131 C4' DA A 5 1.777 4.609 6.237 1.00 0.16 C ATOM 132 O4' DA A 5 1.494 3.400 6.950 1.00 0.19 O ATOM 133 C3' DA A 5 2.191 5.567 7.343 1.00 0.17 C ATOM 134 O3' DA A 5 1.115 6.086 8.120 1.00 0.16 O ATOM 135 C2' DA A 5 3.000 4.608 8.201 1.00 0.19 C ATOM 136 C1' DA A 5 1.928 3.534 8.309 1.00 0.19 C ATOM 137 N9 DA A 5 2.415 2.224 8.796 1.00 0.20 N ATOM 138 C8 DA A 5 3.630 1.623 8.574 1.00 0.21 C ATOM 139 N7 DA A 5 3.760 0.457 9.151 1.00 0.21 N ATOM 140 C5 DA A 5 2.549 0.274 9.797 1.00 0.19 C ATOM 141 C6 DA A 5 2.070 -0.773 10.582 1.00 0.19 C ATOM 142 N6 DA A 5 2.848 -1.836 10.810 1.00 0.20 N ATOM 143 N1 DA A 5 0.828 -0.645 11.071 1.00 0.19 N ATOM 144 C2 DA A 5 0.111 0.446 10.799 1.00 0.21 C ATOM 145 N3 DA A 5 0.465 1.494 10.071 1.00 0.21 N ATOM 146 C4 DA A 5 1.718 1.341 9.591 1.00 0.19 C ATOM 0 H5' DA A 5 2.337 3.620 4.420 1.00 0.17 H new ATOM 0 H5'' DA A 5 3.027 5.220 4.606 1.00 0.17 H new ATOM 0 H4' DA A 5 0.961 5.069 5.679 1.00 0.16 H new ATOM 0 H3' DA A 5 2.685 6.461 6.962 1.00 0.17 H new ATOM 0 H2' DA A 5 3.913 4.260 7.718 1.00 0.19 H new ATOM 0 H2'' DA A 5 3.289 5.028 9.164 1.00 0.19 H new ATOM 0 H1' DA A 5 1.163 3.819 9.031 1.00 0.19 H new ATOM 0 H8 DA A 5 4.408 2.073 7.976 1.00 0.21 H new ATOM 0 H61 DA A 5 2.504 -2.606 11.384 1.00 0.20 H new ATOM 0 H62 DA A 5 3.786 -1.877 10.410 1.00 0.20 H new ATOM 0 H2 DA A 5 -0.881 0.479 11.225 1.00 0.21 H new HETATM 158 P TTM A 6 1.133 7.673 8.322 1.00 0.17 P HETATM 159 OP1 TTM A 6 -0.233 8.141 8.649 1.00 0.20 O HETATM 160 OP2 TTM A 6 1.846 8.260 7.165 1.00 0.21 O HETATM 161 O5' TTM A 6 2.074 7.856 9.614 1.00 0.20 O HETATM 162 C5' TTM A 6 1.524 8.067 10.914 1.00 0.20 C HETATM 163 C4' TTM A 6 0.382 7.142 11.214 1.00 0.20 C HETATM 164 O4' TTM A 6 0.841 5.797 11.130 1.00 0.20 O HETATM 165 C1' TTM A 6 0.480 5.223 12.384 1.00 0.21 C HETATM 166 N1 TTM A 6 1.180 3.950 12.640 1.00 0.19 N HETATM 167 C6 TTM A 6 2.446 3.758 12.186 1.00 0.21 C HETATM 168 C2 TTM A 6 0.505 2.966 13.340 1.00 0.18 C HETATM 169 O2 TTM A 6 -0.632 3.154 13.761 1.00 0.20 O HETATM 170 N3 TTM A 6 1.176 1.766 13.557 1.00 0.18 N HETATM 171 C1Q TTM A 6 0.523 0.771 14.247 1.00 0.21 C HETATM 172 C2Q TTM A 6 1.041 0.517 15.553 1.00 0.20 C HETATM 173 C4 TTM A 6 2.468 1.514 13.113 1.00 0.21 C HETATM 174 O4 TTM A 6 3.007 0.430 13.329 1.00 0.25 O HETATM 175 C5 TTM A 6 3.089 2.603 12.397 1.00 0.22 C HETATM 176 C5M TTM A 6 4.506 2.433 11.876 1.00 0.28 C HETATM 177 C2' TTM A 6 0.739 6.358 13.345 1.00 0.23 C HETATM 178 C3' TTM A 6 -0.225 7.263 12.605 1.00 0.21 C HETATM 179 O3' TTM A 6 -1.516 6.671 12.735 1.00 0.23 O HETATM 0 H5'' TTM A 6 2.305 7.929 11.662 1.00 0.20 H new HETATM 0 H2'' TTM A 6 0.460 6.148 14.378 1.00 0.23 H new HETATM 0 H73 TTM A 6 4.512 2.550 10.792 1.00 0.28 H new HETATM 0 H72 TTM A 6 5.152 3.187 12.326 1.00 0.28 H new HETATM 0 H71 TTM A 6 4.872 1.440 12.135 1.00 0.28 H new HETATM 0 H6 TTM A 6 2.947 4.558 11.641 1.00 0.21 H new HETATM 0 H5' TTM A 6 1.182 9.099 10.997 1.00 0.20 H new HETATM 0 H4' TTM A 6 -0.380 7.419 10.486 1.00 0.20 H new HETATM 0 H3Q TTM A 6 0.966 1.422 16.156 1.00 0.20 H new HETATM 0 H3' TTM A 6 -0.348 8.299 12.922 1.00 0.21 H new HETATM 0 H2Q TTM A 6 -0.530 1.038 14.333 1.00 0.21 H new HETATM 0 H2' TTM A 6 1.770 6.712 13.359 1.00 0.23 H new HETATM 0 H1Q TTM A 6 0.572 -0.149 13.665 1.00 0.21 H new HETATM 0 H1' TTM A 6 -0.554 4.888 12.464 1.00 0.21 H new ATOM 195 P DT A 7 -2.395 6.985 14.038 1.00 0.22 P ATOM 196 OP1 DT A 7 -3.720 7.479 13.603 1.00 0.29 O ATOM 197 OP2 DT A 7 -1.570 7.793 14.966 1.00 0.25 O ATOM 198 O5' DT A 7 -2.593 5.540 14.688 1.00 0.23 O ATOM 199 C5' DT A 7 -3.479 4.682 13.981 1.00 0.23 C ATOM 200 C4' DT A 7 -4.066 3.596 14.865 1.00 0.21 C ATOM 201 O4' DT A 7 -3.003 2.805 15.411 1.00 0.20 O ATOM 202 C3' DT A 7 -4.857 4.038 16.087 1.00 0.19 C ATOM 203 O3' DT A 7 -5.680 3.053 16.706 1.00 0.20 O ATOM 204 C2' DT A 7 -3.686 4.279 17.021 1.00 0.20 C ATOM 205 C1' DT A 7 -2.993 2.933 16.837 1.00 0.21 C ATOM 206 N1 DT A 7 -1.595 2.951 17.323 1.00 0.19 N ATOM 207 C2 DT A 7 -1.181 1.989 18.240 1.00 0.18 C ATOM 208 O2 DT A 7 -1.917 1.104 18.670 1.00 0.22 O ATOM 209 N3 DT A 7 0.142 2.081 18.660 1.00 0.18 N ATOM 210 C4 DT A 7 1.060 3.035 18.248 1.00 0.20 C ATOM 211 O4 DT A 7 2.210 3.030 18.682 1.00 0.24 O ATOM 212 C5 DT A 7 0.531 3.981 17.299 1.00 0.20 C ATOM 213 C7 DT A 7 1.430 5.078 16.769 1.00 0.25 C ATOM 214 C6 DT A 7 -0.739 3.917 16.874 1.00 0.20 C ATOM 0 H5' DT A 7 -2.946 4.221 13.149 1.00 0.23 H new ATOM 0 H5'' DT A 7 -4.288 5.274 13.552 1.00 0.23 H new ATOM 0 H4' DT A 7 -4.751 3.085 14.188 1.00 0.21 H new ATOM 0 H3' DT A 7 -5.554 4.841 15.846 1.00 0.19 H new ATOM 0 H2' DT A 7 -3.066 5.122 16.718 1.00 0.20 H new ATOM 0 H2'' DT A 7 -3.993 4.463 18.051 1.00 0.20 H new ATOM 0 H1' DT A 7 -3.478 2.125 17.386 1.00 0.21 H new ATOM 0 H3 DT A 7 0.466 1.384 19.331 1.00 0.18 H new ATOM 0 H71 DT A 7 2.170 5.339 17.525 1.00 0.25 H new ATOM 0 H72 DT A 7 1.937 4.730 15.869 1.00 0.25 H new ATOM 0 H73 DT A 7 0.830 5.956 16.530 1.00 0.25 H new ATOM 0 H6 DT A 7 -1.094 4.646 16.160 1.00 0.20 H new ATOM 227 P DT A 8 -6.729 3.512 17.831 1.00 0.19 P ATOM 228 OP1 DT A 8 -8.097 3.212 17.349 1.00 0.21 O ATOM 229 OP2 DT A 8 -6.377 4.882 18.268 1.00 0.31 O ATOM 230 O5' DT A 8 -6.382 2.506 19.016 1.00 0.19 O ATOM 231 C5' DT A 8 -6.624 1.150 18.684 1.00 0.18 C ATOM 232 C4' DT A 8 -6.114 0.210 19.744 1.00 0.19 C ATOM 233 O4' DT A 8 -4.713 0.423 19.930 1.00 0.19 O ATOM 234 C3' DT A 8 -6.706 0.332 21.136 1.00 0.20 C ATOM 235 O3' DT A 8 -6.727 -0.880 21.888 1.00 0.20 O ATOM 236 C2' DT A 8 -5.731 1.287 21.789 1.00 0.22 C ATOM 237 C1' DT A 8 -4.457 0.594 21.326 1.00 0.19 C ATOM 238 N1 DT A 8 -3.294 1.474 21.502 1.00 0.20 N ATOM 239 C2 DT A 8 -2.234 1.059 22.297 1.00 0.20 C ATOM 240 O2 DT A 8 -2.205 -0.034 22.859 1.00 0.19 O ATOM 241 N3 DT A 8 -1.189 1.965 22.423 1.00 0.22 N ATOM 242 C4 DT A 8 -1.120 3.217 21.835 1.00 0.25 C ATOM 243 O4 DT A 8 -0.145 3.945 22.020 1.00 0.28 O ATOM 244 C5 DT A 8 -2.274 3.537 21.033 1.00 0.25 C ATOM 245 C7 DT A 8 -2.386 4.861 20.337 1.00 0.29 C ATOM 246 C6 DT A 8 -3.291 2.689 20.891 1.00 0.23 C ATOM 0 H5' DT A 8 -6.144 0.918 17.733 1.00 0.18 H new ATOM 0 H5'' DT A 8 -7.694 0.996 18.547 1.00 0.18 H new ATOM 0 H4' DT A 8 -6.401 -0.765 19.352 1.00 0.19 H new ATOM 0 H3' DT A 8 -7.751 0.638 21.093 1.00 0.20 H new ATOM 0 H2' DT A 8 -5.821 2.310 21.423 1.00 0.22 H new ATOM 0 H2'' DT A 8 -5.829 1.326 22.874 1.00 0.22 H new ATOM 0 H1' DT A 8 -4.237 -0.325 21.869 1.00 0.19 H new ATOM 0 H3 DT A 8 -0.399 1.682 23.003 1.00 0.22 H new ATOM 0 H71 DT A 8 -1.855 5.620 20.911 1.00 0.29 H new ATOM 0 H72 DT A 8 -1.948 4.787 19.341 1.00 0.29 H new ATOM 0 H73 DT A 8 -3.436 5.140 20.252 1.00 0.29 H new ATOM 0 H6 DT A 8 -4.133 2.973 20.277 1.00 0.23 H new ATOM 259 P DT A 9 -7.891 -1.057 22.975 1.00 0.18 P ATOM 260 OP1 DT A 9 -8.570 -2.351 22.734 1.00 0.24 O ATOM 261 OP2 DT A 9 -8.676 0.198 23.002 1.00 0.21 O ATOM 262 O5' DT A 9 -7.089 -1.162 24.351 1.00 0.29 O ATOM 263 C5' DT A 9 -6.596 -2.445 24.718 1.00 0.22 C ATOM 264 C4' DT A 9 -5.718 -2.372 25.953 1.00 0.20 C ATOM 265 O4' DT A 9 -4.665 -1.443 25.683 1.00 0.22 O ATOM 266 C3' DT A 9 -6.321 -1.803 27.236 1.00 0.21 C ATOM 267 O3' DT A 9 -5.503 -1.927 28.399 1.00 0.21 O ATOM 268 C2' DT A 9 -6.243 -0.330 26.892 1.00 0.20 C ATOM 269 C1' DT A 9 -4.739 -0.405 26.667 1.00 0.18 C ATOM 270 N1 DT A 9 -4.083 0.836 26.212 1.00 0.16 N ATOM 271 C2 DT A 9 -2.796 1.095 26.661 1.00 0.14 C ATOM 272 O2 DT A 9 -2.187 0.340 27.414 1.00 0.15 O ATOM 273 N3 DT A 9 -2.222 2.273 26.212 1.00 0.14 N ATOM 274 C4 DT A 9 -2.815 3.197 25.368 1.00 0.17 C ATOM 275 O4 DT A 9 -2.215 4.216 25.030 1.00 0.20 O ATOM 276 C5 DT A 9 -4.149 2.834 24.962 1.00 0.18 C ATOM 277 C7 DT A 9 -4.928 3.757 24.055 1.00 0.23 C ATOM 278 C6 DT A 9 -4.730 1.700 25.381 1.00 0.17 C ATOM 0 H5' DT A 9 -6.026 -2.867 23.890 1.00 0.22 H new ATOM 0 H5'' DT A 9 -7.433 -3.118 24.905 1.00 0.22 H new ATOM 0 H4' DT A 9 -5.464 -3.417 26.128 1.00 0.20 H new ATOM 0 H3' DT A 9 -7.272 -2.282 27.471 1.00 0.21 H new ATOM 0 H2' DT A 9 -6.816 -0.043 26.010 1.00 0.20 H new ATOM 0 H2'' DT A 9 -6.544 0.337 27.699 1.00 0.20 H new ATOM 0 H1' DT A 9 -4.200 -0.587 27.597 1.00 0.18 H new ATOM 0 H3 DT A 9 -1.276 2.479 26.532 1.00 0.14 H new ATOM 0 H71 DT A 9 -4.620 4.787 24.233 1.00 0.23 H new ATOM 0 H72 DT A 9 -4.734 3.494 23.015 1.00 0.23 H new ATOM 0 H73 DT A 9 -5.993 3.656 24.262 1.00 0.23 H new ATOM 0 H6 DT A 9 -5.732 1.467 25.053 1.00 0.17 H new ATOM 291 P DC A 10 -5.338 -3.342 29.141 1.00 0.19 P ATOM 292 OP1 DC A 10 -4.971 -4.369 28.141 1.00 0.21 O ATOM 293 OP2 DC A 10 -6.526 -3.543 30.002 1.00 0.27 O ATOM 294 O5' DC A 10 -4.082 -3.093 30.094 1.00 0.19 O ATOM 295 C5' DC A 10 -2.874 -3.770 29.771 1.00 0.20 C ATOM 296 C4' DC A 10 -1.656 -3.065 30.339 1.00 0.17 C ATOM 297 O4' DC A 10 -1.632 -1.731 29.822 1.00 0.15 O ATOM 298 C3' DC A 10 -1.575 -2.856 31.846 1.00 0.18 C ATOM 299 O3' DC A 10 -0.275 -2.534 32.338 1.00 0.18 O ATOM 300 C2' DC A 10 -2.473 -1.624 31.955 1.00 0.19 C ATOM 301 C1' DC A 10 -1.743 -0.793 30.903 1.00 0.16 C ATOM 302 N1 DC A 10 -2.375 0.448 30.423 1.00 0.15 N ATOM 303 C2 DC A 10 -1.540 1.527 30.304 1.00 0.15 C ATOM 304 O2 DC A 10 -0.351 1.461 30.595 1.00 0.16 O ATOM 305 N3 DC A 10 -2.059 2.691 29.857 1.00 0.16 N ATOM 306 C4 DC A 10 -3.341 2.817 29.534 1.00 0.18 C ATOM 307 N4 DC A 10 -3.773 4.002 29.099 1.00 0.19 N ATOM 308 C5 DC A 10 -4.227 1.704 29.652 1.00 0.18 C ATOM 309 C6 DC A 10 -3.696 0.543 30.101 1.00 0.17 C ATOM 0 H5' DC A 10 -2.778 -3.843 28.688 1.00 0.20 H new ATOM 0 H5'' DC A 10 -2.915 -4.789 30.156 1.00 0.20 H new ATOM 0 H4' DC A 10 -0.844 -3.736 30.058 1.00 0.17 H new ATOM 0 H3' DC A 10 -1.844 -3.745 32.416 1.00 0.18 H new ATOM 0 H2' DC A 10 -3.514 -1.824 31.703 1.00 0.19 H new ATOM 0 H2'' DC A 10 -2.467 -1.170 32.946 1.00 0.19 H new ATOM 0 H1' DC A 10 -0.823 -0.399 31.335 1.00 0.16 H new ATOM 0 H41 DC A 10 -4.753 4.125 28.844 1.00 0.19 H new ATOM 0 H42 DC A 10 -3.123 4.784 29.021 1.00 0.19 H new ATOM 0 H5 DC A 10 -5.273 1.785 29.395 1.00 0.18 H new ATOM 0 H6 DC A 10 -4.331 -0.324 30.206 1.00 0.17 H new ATOM 321 P DG A 11 0.778 -3.725 32.561 1.00 0.16 P ATOM 322 OP1 DG A 11 1.579 -3.918 31.334 1.00 0.20 O ATOM 323 OP2 DG A 11 0.044 -4.870 33.142 1.00 0.22 O ATOM 324 O5' DG A 11 1.759 -3.162 33.694 1.00 0.21 O ATOM 325 C5' DG A 11 3.134 -3.149 33.334 1.00 0.28 C ATOM 326 C4' DG A 11 3.824 -1.848 33.701 1.00 0.26 C ATOM 327 O4' DG A 11 2.985 -0.800 33.219 1.00 0.25 O ATOM 328 C3' DG A 11 3.993 -1.436 35.154 1.00 0.26 C ATOM 329 O3' DG A 11 4.835 -0.278 35.200 1.00 0.29 O ATOM 330 C2' DG A 11 2.570 -1.058 35.477 1.00 0.26 C ATOM 331 C1' DG A 11 2.465 -0.062 34.341 1.00 0.24 C ATOM 332 N9 DG A 11 1.094 0.384 34.039 1.00 0.23 N ATOM 333 C8 DG A 11 -0.056 -0.347 34.034 1.00 0.23 C ATOM 334 N7 DG A 11 -1.121 0.336 33.701 1.00 0.22 N ATOM 335 C5 DG A 11 -0.635 1.612 33.470 1.00 0.21 C ATOM 336 C6 DG A 11 -1.326 2.786 33.076 1.00 0.21 C ATOM 337 O6 DG A 11 -2.528 2.953 32.842 1.00 0.22 O ATOM 338 N1 DG A 11 -0.458 3.859 32.954 1.00 0.22 N ATOM 339 C2 DG A 11 0.920 3.822 33.185 1.00 0.23 C ATOM 340 N2 DG A 11 1.645 4.941 33.034 1.00 0.24 N ATOM 341 N3 DG A 11 1.557 2.708 33.555 1.00 0.23 N ATOM 342 C4 DG A 11 0.721 1.650 33.677 1.00 0.21 C ATOM 0 H5' DG A 11 3.226 -3.314 32.260 1.00 0.28 H new ATOM 0 H5'' DG A 11 3.642 -3.977 33.828 1.00 0.28 H new ATOM 0 H4' DG A 11 4.824 -2.007 33.297 1.00 0.26 H new ATOM 0 H3' DG A 11 4.433 -2.177 35.821 1.00 0.26 H new ATOM 0 H2' DG A 11 1.865 -1.886 35.405 1.00 0.26 H new ATOM 0 H2'' DG A 11 2.443 -0.616 36.465 1.00 0.26 H new ATOM 0 HO3' DG A 11 5.134 -0.055 34.294 1.00 0.29 H new ATOM 0 H1' DG A 11 2.995 0.857 34.589 1.00 0.24 H new ATOM 0 H8 DG A 11 -0.086 -1.397 34.283 1.00 0.23 H new ATOM 0 H1 DG A 11 -0.859 4.753 32.671 1.00 0.22 H new ATOM 0 H21 DG A 11 2.651 4.923 33.200 1.00 0.24 H new ATOM 0 H22 DG A 11 1.190 5.809 32.753 1.00 0.24 H new TER 355 DG A 11 ATOM 356 O5' DC B 1 0.627 13.433 33.834 1.00 0.58 O ATOM 357 C5' DC B 1 -0.075 12.195 33.951 1.00 0.51 C ATOM 358 C4' DC B 1 0.366 11.263 32.837 1.00 0.40 C ATOM 359 O4' DC B 1 -0.274 9.988 32.915 1.00 0.37 O ATOM 360 C3' DC B 1 0.143 11.710 31.395 1.00 0.39 C ATOM 361 O3' DC B 1 1.190 11.331 30.506 1.00 0.36 O ATOM 362 C2' DC B 1 -1.147 10.960 31.067 1.00 0.37 C ATOM 363 C1' DC B 1 -0.679 9.614 31.594 1.00 0.32 C ATOM 364 N1 DC B 1 -1.645 8.492 31.680 1.00 0.28 N ATOM 365 C2 DC B 1 -1.123 7.270 32.047 1.00 0.25 C ATOM 366 O2 DC B 1 0.073 7.136 32.274 1.00 0.25 O ATOM 367 N3 DC B 1 -1.953 6.202 32.154 1.00 0.23 N ATOM 368 C4 DC B 1 -3.264 6.311 31.911 1.00 0.25 C ATOM 369 N4 DC B 1 -4.018 5.211 32.043 1.00 0.24 N ATOM 370 C5 DC B 1 -3.828 7.579 31.525 1.00 0.28 C ATOM 371 C6 DC B 1 -2.983 8.633 31.424 1.00 0.29 C ATOM 0 H5' DC B 1 -1.150 12.366 33.894 1.00 0.51 H new ATOM 0 H5'' DC B 1 0.124 11.741 34.922 1.00 0.51 H new ATOM 0 H4' DC B 1 1.439 11.245 33.027 1.00 0.40 H new ATOM 0 H3' DC B 1 0.105 12.794 31.285 1.00 0.39 H new ATOM 0 H2' DC B 1 -2.021 11.351 31.588 1.00 0.37 H new ATOM 0 H2'' DC B 1 -1.387 10.951 30.004 1.00 0.37 H new ATOM 0 HO5' DC B 1 1.328 13.349 33.154 1.00 0.58 H new ATOM 0 H1' DC B 1 0.054 9.191 30.907 1.00 0.32 H new ATOM 0 H41 DC B 1 -5.021 5.256 31.866 1.00 0.24 H new ATOM 0 H42 DC B 1 -3.588 4.329 32.321 1.00 0.24 H new ATOM 0 H5 DC B 1 -4.884 7.685 31.324 1.00 0.28 H new ATOM 0 H6 DC B 1 -3.370 9.599 31.137 1.00 0.29 H new ATOM 384 P DG B 2 2.457 12.316 30.517 1.00 0.35 P ATOM 385 OP1 DG B 2 2.552 12.872 31.887 1.00 0.40 O ATOM 386 OP2 DG B 2 2.308 13.239 29.371 1.00 0.39 O ATOM 387 O5' DG B 2 3.732 11.397 30.229 1.00 0.31 O ATOM 388 C5' DG B 2 4.549 10.915 31.291 1.00 0.31 C ATOM 389 C4' DG B 2 4.892 9.441 31.107 1.00 0.27 C ATOM 390 O4' DG B 2 3.646 8.774 30.973 1.00 0.24 O ATOM 391 C3' DG B 2 5.623 8.976 29.842 1.00 0.28 C ATOM 392 O3' DG B 2 5.942 7.575 29.763 1.00 0.29 O ATOM 393 C2' DG B 2 4.472 9.131 28.850 1.00 0.27 C ATOM 394 C1' DG B 2 3.583 8.202 29.661 1.00 0.23 C ATOM 395 N9 DG B 2 2.160 8.040 29.336 1.00 0.22 N ATOM 396 C8 DG B 2 1.237 8.933 28.858 1.00 0.23 C ATOM 397 N7 DG B 2 0.040 8.426 28.721 1.00 0.23 N ATOM 398 C5 DG B 2 0.187 7.111 29.135 1.00 0.21 C ATOM 399 C6 DG B 2 -0.771 6.077 29.208 1.00 0.20 C ATOM 400 O6 DG B 2 -1.963 6.141 28.913 1.00 0.22 O ATOM 401 N1 DG B 2 -0.219 4.885 29.683 1.00 0.18 N ATOM 402 C2 DG B 2 1.120 4.720 30.045 1.00 0.18 C ATOM 403 N2 DG B 2 1.550 3.528 30.478 1.00 0.18 N ATOM 404 N3 DG B 2 2.010 5.714 29.969 1.00 0.19 N ATOM 405 C4 DG B 2 1.479 6.869 29.511 1.00 0.20 C ATOM 0 H5' DG B 2 4.032 11.054 32.241 1.00 0.31 H new ATOM 0 H5'' DG B 2 5.467 11.500 31.339 1.00 0.31 H new ATOM 0 H4' DG B 2 5.552 9.237 31.950 1.00 0.27 H new ATOM 0 H3' DG B 2 6.567 9.509 29.729 1.00 0.28 H new ATOM 0 H2' DG B 2 4.093 10.148 28.755 1.00 0.27 H new ATOM 0 H2'' DG B 2 4.694 8.778 27.843 1.00 0.27 H new ATOM 0 H1' DG B 2 3.963 7.196 29.481 1.00 0.23 H new ATOM 0 H8 DG B 2 1.476 9.958 28.617 1.00 0.23 H new ATOM 0 H1 DG B 2 -0.837 4.078 29.772 1.00 0.18 H new ATOM 0 H21 DG B 2 2.527 3.404 30.743 1.00 0.18 H new ATOM 0 H22 DG B 2 0.900 2.744 30.543 1.00 0.18 H new ATOM 417 P DA B 3 6.527 6.661 30.965 1.00 0.27 P ATOM 418 OP1 DA B 3 6.455 7.403 32.244 1.00 0.34 O ATOM 419 OP2 DA B 3 7.829 6.117 30.517 1.00 0.35 O ATOM 420 O5' DA B 3 5.496 5.433 31.020 1.00 0.30 O ATOM 421 C5' DA B 3 5.559 4.495 32.092 1.00 0.26 C ATOM 422 C4' DA B 3 5.580 3.053 31.590 1.00 0.23 C ATOM 423 O4' DA B 3 4.513 2.957 30.649 1.00 0.21 O ATOM 424 C3' DA B 3 6.777 2.577 30.771 1.00 0.23 C ATOM 425 O3' DA B 3 6.868 1.172 30.496 1.00 0.27 O ATOM 426 C2' DA B 3 6.454 3.250 29.442 1.00 0.22 C ATOM 427 C1' DA B 3 5.037 2.702 29.330 1.00 0.21 C ATOM 428 N9 DA B 3 4.120 3.415 28.424 1.00 0.19 N ATOM 429 C8 DA B 3 4.259 4.617 27.774 1.00 0.20 C ATOM 430 N7 DA B 3 3.208 4.968 27.078 1.00 0.18 N ATOM 431 C5 DA B 3 2.320 3.925 27.286 1.00 0.16 C ATOM 432 C6 DA B 3 1.026 3.697 26.825 1.00 0.15 C ATOM 433 N6 DA B 3 0.421 4.589 26.031 1.00 0.17 N ATOM 434 N1 DA B 3 0.440 2.563 27.226 1.00 0.15 N ATOM 435 C2 DA B 3 1.077 1.710 28.026 1.00 0.15 C ATOM 436 N3 DA B 3 2.295 1.828 28.518 1.00 0.16 N ATOM 437 C4 DA B 3 2.868 2.976 28.102 1.00 0.17 C ATOM 0 H5' DA B 3 4.701 4.638 32.749 1.00 0.26 H new ATOM 0 H5'' DA B 3 6.452 4.685 32.688 1.00 0.26 H new ATOM 0 H4' DA B 3 5.557 2.458 32.503 1.00 0.23 H new ATOM 0 H3' DA B 3 7.706 2.802 31.296 1.00 0.23 H new ATOM 0 H2' DA B 3 6.497 4.338 29.485 1.00 0.22 H new ATOM 0 H2'' DA B 3 7.106 2.937 28.627 1.00 0.22 H new ATOM 0 H1' DA B 3 5.093 1.680 28.956 1.00 0.21 H new ATOM 0 H8 DA B 3 5.155 5.218 27.832 1.00 0.20 H new ATOM 0 H61 DA B 3 -0.527 4.415 25.698 1.00 0.17 H new ATOM 0 H62 DA B 3 0.908 5.443 25.760 1.00 0.17 H new ATOM 0 H2 DA B 3 0.534 0.819 28.304 1.00 0.15 H new ATOM 449 P DA B 4 6.056 -0.027 31.229 1.00 0.25 P ATOM 450 OP1 DA B 4 5.687 0.365 32.610 1.00 0.29 O ATOM 451 OP2 DA B 4 6.837 -1.268 31.020 1.00 0.31 O ATOM 452 O5' DA B 4 4.741 -0.134 30.336 1.00 0.26 O ATOM 453 C5' DA B 4 4.157 -1.426 30.225 1.00 0.24 C ATOM 454 C4' DA B 4 4.315 -2.028 28.838 1.00 0.22 C ATOM 455 O4' DA B 4 3.716 -1.141 27.892 1.00 0.22 O ATOM 456 C3' DA B 4 5.721 -2.246 28.259 1.00 0.24 C ATOM 457 O3' DA B 4 5.833 -3.073 27.095 1.00 0.23 O ATOM 458 C2' DA B 4 5.976 -0.841 27.733 1.00 0.22 C ATOM 459 C1' DA B 4 4.700 -0.824 26.907 1.00 0.21 C ATOM 460 N9 DA B 4 4.360 0.407 26.163 1.00 0.20 N ATOM 461 C8 DA B 4 5.079 1.565 26.004 1.00 0.23 C ATOM 462 N7 DA B 4 4.487 2.461 25.260 1.00 0.24 N ATOM 463 C5 DA B 4 3.292 1.853 24.905 1.00 0.20 C ATOM 464 C6 DA B 4 2.220 2.286 24.124 1.00 0.19 C ATOM 465 N6 DA B 4 2.213 3.491 23.549 1.00 0.23 N ATOM 466 N1 DA B 4 1.189 1.438 23.970 1.00 0.16 N ATOM 467 C2 DA B 4 1.222 0.240 24.554 1.00 0.14 C ATOM 468 N3 DA B 4 2.180 -0.267 25.310 1.00 0.16 N ATOM 469 C4 DA B 4 3.203 0.602 25.449 1.00 0.18 C ATOM 0 H5' DA B 4 3.097 -1.362 30.470 1.00 0.24 H new ATOM 0 H5'' DA B 4 4.614 -2.090 30.958 1.00 0.24 H new ATOM 0 H4' DA B 4 3.873 -3.014 28.981 1.00 0.22 H new ATOM 0 H3' DA B 4 6.362 -2.713 29.007 1.00 0.24 H new ATOM 0 H2' DA B 4 6.015 -0.076 28.508 1.00 0.22 H new ATOM 0 H2'' DA B 4 6.888 -0.745 27.145 1.00 0.22 H new ATOM 0 H1' DA B 4 4.792 -1.514 26.068 1.00 0.21 H new ATOM 0 H8 DA B 4 6.048 1.722 26.454 1.00 0.23 H new ATOM 0 H61 DA B 4 1.416 3.781 22.983 1.00 0.23 H new ATOM 0 H62 DA B 4 3.005 4.121 23.676 1.00 0.23 H new ATOM 0 H2 DA B 4 0.362 -0.392 24.389 1.00 0.14 H new ATOM 481 P DA B 5 4.987 -4.431 26.918 1.00 0.18 P ATOM 482 OP1 DA B 5 4.757 -5.025 28.255 1.00 0.21 O ATOM 483 OP2 DA B 5 5.631 -5.236 25.855 1.00 0.25 O ATOM 484 O5' DA B 5 3.596 -3.897 26.352 1.00 0.18 O ATOM 485 C5' DA B 5 2.401 -4.422 26.914 1.00 0.17 C ATOM 486 C4' DA B 5 1.395 -4.785 25.834 1.00 0.17 C ATOM 487 O4' DA B 5 1.218 -3.624 25.016 1.00 0.20 O ATOM 488 C3' DA B 5 1.765 -5.859 24.816 1.00 0.16 C ATOM 489 O3' DA B 5 0.694 -6.307 23.985 1.00 0.16 O ATOM 490 C2' DA B 5 2.684 -5.032 23.936 1.00 0.19 C ATOM 491 C1' DA B 5 1.677 -3.919 23.692 1.00 0.19 C ATOM 492 N9 DA B 5 2.246 -2.711 23.063 1.00 0.20 N ATOM 493 C8 DA B 5 3.508 -2.188 23.187 1.00 0.21 C ATOM 494 N7 DA B 5 3.704 -1.105 22.484 1.00 0.21 N ATOM 495 C5 DA B 5 2.487 -0.901 21.856 1.00 0.19 C ATOM 496 C6 DA B 5 2.059 0.087 20.975 1.00 0.19 C ATOM 497 N6 DA B 5 2.906 1.047 20.590 1.00 0.20 N ATOM 498 N1 DA B 5 0.796 0.003 20.539 1.00 0.19 N ATOM 499 C2 DA B 5 0.009 -0.994 20.945 1.00 0.20 C ATOM 500 N3 DA B 5 0.312 -1.980 21.773 1.00 0.21 N ATOM 501 C4 DA B 5 1.588 -1.871 22.199 1.00 0.19 C ATOM 0 H5' DA B 5 1.962 -3.689 27.591 1.00 0.17 H new ATOM 0 H5'' DA B 5 2.634 -5.305 27.509 1.00 0.17 H new ATOM 0 H4' DA B 5 0.548 -5.160 26.408 1.00 0.17 H new ATOM 0 H3' DA B 5 2.140 -6.764 25.295 1.00 0.16 H new ATOM 0 H2' DA B 5 3.590 -4.698 24.442 1.00 0.19 H new ATOM 0 H2'' DA B 5 2.997 -5.545 23.027 1.00 0.19 H new ATOM 0 H1' DA B 5 0.903 -4.230 22.991 1.00 0.19 H new ATOM 0 H8 DA B 5 4.271 -2.632 23.810 1.00 0.21 H new ATOM 0 H61 DA B 5 2.595 1.773 19.944 1.00 0.20 H new ATOM 0 H62 DA B 5 3.863 1.054 20.942 1.00 0.20 H new ATOM 0 H2 DA B 5 -0.996 -0.997 20.550 1.00 0.20 H new HETATM 513 P TTM B 6 0.820 -7.759 23.318 1.00 0.17 P HETATM 514 OP1 TTM B 6 -0.449 -8.087 22.629 1.00 0.20 O HETATM 515 OP2 TTM B 6 1.354 -8.682 24.344 1.00 0.21 O HETATM 516 O5' TTM B 6 1.968 -7.538 22.217 1.00 0.19 O HETATM 517 C5' TTM B 6 1.730 -7.838 20.847 1.00 0.19 C HETATM 518 C4' TTM B 6 0.670 -6.924 20.254 1.00 0.19 C HETATM 519 O4' TTM B 6 1.076 -5.562 20.425 1.00 0.21 O HETATM 520 C1' TTM B 6 1.172 -4.976 19.117 1.00 0.21 C HETATM 521 N1 TTM B 6 2.142 -3.863 19.085 1.00 0.19 N HETATM 522 C6 TTM B 6 3.345 -3.975 19.709 1.00 0.21 C HETATM 523 C2 TTM B 6 1.785 -2.712 18.398 1.00 0.18 C HETATM 524 O2 TTM B 6 0.700 -2.607 17.830 1.00 0.20 O HETATM 525 N3 TTM B 6 2.707 -1.672 18.372 1.00 0.18 N HETATM 526 C1Q TTM B 6 2.351 -0.516 17.708 1.00 0.21 C HETATM 527 C2Q TTM B 6 2.097 -0.458 16.302 1.00 0.20 C HETATM 528 C4 TTM B 6 3.953 -1.732 18.992 1.00 0.20 C HETATM 529 O4 TTM B 6 4.734 -0.782 18.944 1.00 0.25 O HETATM 530 C5 TTM B 6 4.233 -2.971 19.681 1.00 0.22 C HETATM 531 C5M TTM B 6 5.567 -3.135 20.390 1.00 0.28 C HETATM 532 C2' TTM B 6 1.557 -6.180 18.270 1.00 0.23 C HETATM 533 C3' TTM B 6 0.403 -7.036 18.758 1.00 0.21 C HETATM 534 O3' TTM B 6 -0.780 -6.393 18.294 1.00 0.22 O HETATM 0 H5'' TTM B 6 2.658 -7.735 20.284 1.00 0.19 H new HETATM 0 H2'' TTM B 6 1.541 -5.988 17.197 1.00 0.23 H new HETATM 0 H73 TTM B 6 5.395 -3.313 21.452 1.00 0.28 H new HETATM 0 H72 TTM B 6 6.105 -3.981 19.963 1.00 0.28 H new HETATM 0 H71 TTM B 6 6.159 -2.229 20.265 1.00 0.28 H new HETATM 0 H6 TTM B 6 3.591 -4.895 20.240 1.00 0.21 H new HETATM 0 H5' TTM B 6 1.412 -8.876 20.750 1.00 0.19 H new HETATM 0 H4Q TTM B 6 2.990 -0.766 15.758 1.00 0.20 H new HETATM 0 H4' TTM B 6 -0.232 -7.234 20.782 1.00 0.19 H new HETATM 0 H3' TTM B 6 0.303 -8.074 18.439 1.00 0.21 H new HETATM 0 H2Q TTM B 6 1.450 -0.146 18.198 1.00 0.21 H new HETATM 0 H2' TTM B 6 2.540 -6.589 18.506 1.00 0.23 H new HETATM 0 H1Q TTM B 6 3.142 0.208 17.907 1.00 0.21 H new HETATM 0 H1' TTM B 6 0.262 -4.495 18.758 1.00 0.21 H new ATOM 550 P DT B 7 -1.795 -7.249 17.398 1.00 0.22 P ATOM 551 OP1 DT B 7 -2.690 -8.012 18.295 1.00 0.29 O ATOM 552 OP2 DT B 7 -0.997 -7.957 16.370 1.00 0.24 O ATOM 553 O5' DT B 7 -2.655 -6.132 16.651 1.00 0.22 O ATOM 554 C5' DT B 7 -3.515 -5.308 17.429 1.00 0.23 C ATOM 555 C4' DT B 7 -4.108 -4.194 16.586 1.00 0.20 C ATOM 556 O4' DT B 7 -3.002 -3.533 15.960 1.00 0.20 O ATOM 557 C3' DT B 7 -4.995 -4.578 15.406 1.00 0.19 C ATOM 558 O3' DT B 7 -5.703 -3.517 14.777 1.00 0.20 O ATOM 559 C2' DT B 7 -3.906 -4.991 14.438 1.00 0.20 C ATOM 560 C1' DT B 7 -3.076 -3.711 14.537 1.00 0.22 C ATOM 561 N1 DT B 7 -1.708 -3.808 13.965 1.00 0.19 N ATOM 562 C2 DT B 7 -1.243 -2.773 13.157 1.00 0.18 C ATOM 563 O2 DT B 7 -1.914 -1.778 12.888 1.00 0.22 O ATOM 564 N3 DT B 7 0.044 -2.924 12.649 1.00 0.18 N ATOM 565 C4 DT B 7 0.886 -4.003 12.877 1.00 0.20 C ATOM 566 O4 DT B 7 2.011 -4.045 12.380 1.00 0.23 O ATOM 567 C5 DT B 7 0.315 -5.021 13.723 1.00 0.20 C ATOM 568 C7 DT B 7 1.141 -6.257 14.041 1.00 0.25 C ATOM 569 C6 DT B 7 -0.926 -4.901 14.229 1.00 0.20 C ATOM 0 H5' DT B 7 -2.959 -4.881 18.263 1.00 0.23 H new ATOM 0 H5'' DT B 7 -4.316 -5.912 17.856 1.00 0.23 H new ATOM 0 H4' DT B 7 -4.729 -3.634 17.286 1.00 0.20 H new ATOM 0 H3' DT B 7 -5.773 -5.281 15.704 1.00 0.19 H new ATOM 0 H2' DT B 7 -3.363 -5.881 14.756 1.00 0.20 H new ATOM 0 H2'' DT B 7 -4.277 -5.186 13.432 1.00 0.20 H new ATOM 0 H1' DT B 7 -3.525 -2.896 13.970 1.00 0.22 H new ATOM 0 H3 DT B 7 0.400 -2.174 12.056 1.00 0.18 H new ATOM 0 H71 DT B 7 0.864 -6.637 15.024 1.00 0.25 H new ATOM 0 H72 DT B 7 0.953 -7.024 13.290 1.00 0.25 H new ATOM 0 H73 DT B 7 2.200 -5.998 14.037 1.00 0.25 H new ATOM 0 H6 DT B 7 -1.315 -5.687 14.859 1.00 0.20 H new ATOM 582 P DT B 8 -6.939 -3.878 13.821 1.00 0.19 P ATOM 583 OP1 DT B 8 -8.194 -3.533 14.525 1.00 0.20 O ATOM 584 OP2 DT B 8 -6.734 -5.246 13.292 1.00 0.30 O ATOM 585 O5' DT B 8 -6.735 -2.850 12.622 1.00 0.19 O ATOM 586 C5' DT B 8 -6.969 -1.484 12.928 1.00 0.19 C ATOM 587 C4' DT B 8 -6.544 -0.579 11.792 1.00 0.19 C ATOM 588 O4' DT B 8 -5.155 -0.817 11.530 1.00 0.19 O ATOM 589 C3' DT B 8 -7.207 -0.792 10.438 1.00 0.20 C ATOM 590 O3' DT B 8 -7.078 0.266 9.489 1.00 0.20 O ATOM 591 C2' DT B 8 -6.352 -1.954 9.958 1.00 0.21 C ATOM 592 C1' DT B 8 -5.002 -1.285 10.184 1.00 0.20 C ATOM 593 N1 DT B 8 -3.792 -2.144 10.073 1.00 0.21 N ATOM 594 C2 DT B 8 -2.708 -1.645 9.355 1.00 0.20 C ATOM 595 O2 DT B 8 -2.719 -0.543 8.811 1.00 0.20 O ATOM 596 N3 DT B 8 -1.594 -2.473 9.275 1.00 0.22 N ATOM 597 C4 DT B 8 -1.475 -3.730 9.839 1.00 0.25 C ATOM 598 O4 DT B 8 -0.438 -4.380 9.708 1.00 0.28 O ATOM 599 C5 DT B 8 -2.644 -4.164 10.559 1.00 0.25 C ATOM 600 C7 DT B 8 -2.610 -5.546 11.189 1.00 0.29 C ATOM 601 C6 DT B 8 -3.743 -3.384 10.659 1.00 0.23 C ATOM 0 H5' DT B 8 -6.424 -1.214 13.832 1.00 0.19 H new ATOM 0 H5'' DT B 8 -8.028 -1.333 13.137 1.00 0.19 H new ATOM 0 H4' DT B 8 -6.822 0.414 12.145 1.00 0.19 H new ATOM 0 H3' DT B 8 -8.287 -0.908 10.529 1.00 0.20 H new ATOM 0 H2' DT B 8 -6.488 -2.861 10.547 1.00 0.21 H new ATOM 0 H2'' DT B 8 -6.532 -2.220 8.917 1.00 0.21 H new ATOM 0 H1' DT B 8 -4.808 -0.541 9.411 1.00 0.20 H new ATOM 0 H3 DT B 8 -0.791 -2.121 8.753 1.00 0.22 H new ATOM 0 H71 DT B 8 -1.967 -6.199 10.599 1.00 0.29 H new ATOM 0 H72 DT B 8 -2.219 -5.474 12.204 1.00 0.29 H new ATOM 0 H73 DT B 8 -3.619 -5.958 11.217 1.00 0.29 H new ATOM 0 H6 DT B 8 -4.599 -3.743 11.211 1.00 0.23 H new ATOM 614 P DT B 9 -8.323 0.492 8.503 1.00 0.18 P ATOM 615 OP1 DT B 9 -8.967 1.781 8.844 1.00 0.24 O ATOM 616 OP2 DT B 9 -9.122 -0.755 8.505 1.00 0.21 O ATOM 617 O5' DT B 9 -7.653 0.641 7.062 1.00 0.29 O ATOM 618 C5' DT B 9 -7.119 1.916 6.735 1.00 0.21 C ATOM 619 C4' DT B 9 -6.061 1.804 5.660 1.00 0.19 C ATOM 620 O4' DT B 9 -5.108 0.840 6.121 1.00 0.22 O ATOM 621 C3' DT B 9 -6.456 1.258 4.287 1.00 0.21 C ATOM 622 O3' DT B 9 -5.487 1.477 3.259 1.00 0.21 O ATOM 623 C2' DT B 9 -6.454 -0.230 4.609 1.00 0.20 C ATOM 624 C1' DT B 9 -5.029 -0.194 5.136 1.00 0.18 C ATOM 625 N1 DT B 9 -4.451 -1.453 5.658 1.00 0.16 N ATOM 626 C2 DT B 9 -3.141 -1.716 5.299 1.00 0.14 C ATOM 627 O2 DT B 9 -2.483 -0.961 4.586 1.00 0.15 O ATOM 628 N3 DT B 9 -2.600 -2.893 5.781 1.00 0.14 N ATOM 629 C4 DT B 9 -3.237 -3.820 6.580 1.00 0.17 C ATOM 630 O4 DT B 9 -2.642 -4.833 6.949 1.00 0.20 O ATOM 631 C5 DT B 9 -4.598 -3.469 6.906 1.00 0.18 C ATOM 632 C7 DT B 9 -5.401 -4.436 7.763 1.00 0.23 C ATOM 633 C6 DT B 9 -5.158 -2.323 6.450 1.00 0.17 C ATOM 0 H5' DT B 9 -6.689 2.373 7.626 1.00 0.21 H new ATOM 0 H5'' DT B 9 -7.920 2.573 6.395 1.00 0.21 H new ATOM 0 H4' DT B 9 -5.745 2.837 5.514 1.00 0.19 H new ATOM 0 H3' DT B 9 -7.370 1.714 3.907 1.00 0.21 H new ATOM 0 H2' DT B 9 -7.196 -0.528 5.349 1.00 0.20 H new ATOM 0 H2'' DT B 9 -6.593 -0.875 3.741 1.00 0.20 H new ATOM 0 H1' DT B 9 -4.324 -0.017 4.324 1.00 0.18 H new ATOM 0 H3 DT B 9 -1.635 -3.096 5.520 1.00 0.14 H new ATOM 0 H71 DT B 9 -5.056 -5.454 7.584 1.00 0.23 H new ATOM 0 H72 DT B 9 -5.266 -4.187 8.816 1.00 0.23 H new ATOM 0 H73 DT B 9 -6.457 -4.360 7.505 1.00 0.23 H new ATOM 0 H6 DT B 9 -6.179 -2.090 6.714 1.00 0.17 H new ATOM 646 P DC B 10 -5.360 2.960 2.637 1.00 0.19 P ATOM 647 OP1 DC B 10 -5.000 3.900 3.721 1.00 0.21 O ATOM 648 OP2 DC B 10 -6.572 3.210 1.826 1.00 0.27 O ATOM 649 O5' DC B 10 -4.121 2.872 1.634 1.00 0.19 O ATOM 650 C5' DC B 10 -2.994 3.700 1.911 1.00 0.20 C ATOM 651 C4' DC B 10 -1.708 3.096 1.372 1.00 0.17 C ATOM 652 O4' DC B 10 -1.671 1.767 1.895 1.00 0.15 O ATOM 653 C3' DC B 10 -1.567 2.868 -0.132 1.00 0.18 C ATOM 654 O3' DC B 10 -0.260 2.495 -0.575 1.00 0.17 O ATOM 655 C2' DC B 10 -2.464 1.646 -0.264 1.00 0.18 C ATOM 656 C1' DC B 10 -1.755 0.828 0.813 1.00 0.16 C ATOM 657 N1 DC B 10 -2.415 -0.401 1.275 1.00 0.15 N ATOM 658 C2 DC B 10 -1.600 -1.481 1.460 1.00 0.15 C ATOM 659 O2 DC B 10 -0.396 -1.428 1.238 1.00 0.16 O ATOM 660 N3 DC B 10 -2.160 -2.630 1.893 1.00 0.16 N ATOM 661 C4 DC B 10 -3.460 -2.741 2.140 1.00 0.17 C ATOM 662 N4 DC B 10 -3.920 -3.919 2.566 1.00 0.19 N ATOM 663 C5 DC B 10 -4.325 -1.621 1.951 1.00 0.18 C ATOM 664 C6 DC B 10 -3.752 -0.478 1.517 1.00 0.17 C ATOM 0 H5' DC B 10 -2.905 3.845 2.988 1.00 0.20 H new ATOM 0 H5'' DC B 10 -3.148 4.684 1.468 1.00 0.20 H new ATOM 0 H4' DC B 10 -0.939 3.816 1.651 1.00 0.17 H new ATOM 0 H3' DC B 10 -1.795 3.765 -0.708 1.00 0.18 H new ATOM 0 H2' DC B 10 -3.511 1.848 -0.040 1.00 0.18 H new ATOM 0 H2'' DC B 10 -2.432 1.187 -1.252 1.00 0.18 H new ATOM 0 H1' DC B 10 -0.817 0.440 0.415 1.00 0.16 H new ATOM 0 H41 DC B 10 -4.913 -4.037 2.765 1.00 0.19 H new ATOM 0 H42 DC B 10 -3.278 -4.701 2.693 1.00 0.19 H new ATOM 0 H5 DC B 10 -5.385 -1.685 2.146 1.00 0.18 H new ATOM 0 H6 DC B 10 -4.368 0.395 1.358 1.00 0.17 H new ATOM 676 P DG B 11 0.884 3.612 -0.737 1.00 0.15 P ATOM 677 OP1 DG B 11 1.616 3.761 0.538 1.00 0.21 O ATOM 678 OP2 DG B 11 0.266 4.800 -1.368 1.00 0.22 O ATOM 679 O5' DG B 11 1.892 2.972 -1.807 1.00 0.21 O ATOM 680 C5' DG B 11 3.250 2.871 -1.392 1.00 0.28 C ATOM 681 C4' DG B 11 3.864 1.515 -1.717 1.00 0.27 C ATOM 682 O4' DG B 11 2.911 0.548 -1.274 1.00 0.25 O ATOM 683 C3' DG B 11 4.072 1.069 -3.160 1.00 0.26 C ATOM 684 O3' DG B 11 4.791 -0.172 -3.145 1.00 0.29 O ATOM 685 C2' DG B 11 2.625 0.827 -3.550 1.00 0.26 C ATOM 686 C1' DG B 11 2.388 -0.155 -2.416 1.00 0.24 C ATOM 687 N9 DG B 11 0.995 -0.572 -2.149 1.00 0.22 N ATOM 688 C8 DG B 11 -0.164 0.159 -2.188 1.00 0.22 C ATOM 689 N7 DG B 11 -1.232 -0.523 -1.870 1.00 0.22 N ATOM 690 C5 DG B 11 -0.752 -1.792 -1.602 1.00 0.21 C ATOM 691 C6 DG B 11 -1.454 -2.956 -1.205 1.00 0.21 C ATOM 692 O6 DG B 11 -2.661 -3.111 -1.003 1.00 0.22 O ATOM 693 N1 DG B 11 -0.595 -4.030 -1.037 1.00 0.22 N ATOM 694 C2 DG B 11 0.788 -4.005 -1.230 1.00 0.23 C ATOM 695 N2 DG B 11 1.504 -5.125 -1.037 1.00 0.24 N ATOM 696 N3 DG B 11 1.435 -2.894 -1.606 1.00 0.23 N ATOM 697 C4 DG B 11 0.607 -1.835 -1.772 1.00 0.21 C ATOM 0 H5' DG B 11 3.311 3.045 -0.318 1.00 0.28 H new ATOM 0 H5'' DG B 11 3.833 3.655 -1.876 1.00 0.28 H new ATOM 0 H4' DG B 11 4.854 1.599 -1.269 1.00 0.27 H new ATOM 0 H3' DG B 11 4.619 1.750 -3.811 1.00 0.26 H new ATOM 0 H2' DG B 11 1.998 1.717 -3.505 1.00 0.26 H new ATOM 0 H2'' DG B 11 2.498 0.397 -4.544 1.00 0.26 H new ATOM 0 HO3' DG B 11 5.051 -0.388 -2.225 1.00 0.29 H new ATOM 0 H1' DG B 11 2.859 -1.105 -2.669 1.00 0.24 H new ATOM 0 H8 DG B 11 -0.192 1.205 -2.457 1.00 0.22 H new ATOM 0 H1 DG B 11 -1.009 -4.916 -0.747 1.00 0.22 H new ATOM 0 H21 DG B 11 2.514 -5.115 -1.176 1.00 0.24 H new ATOM 0 H22 DG B 11 1.037 -5.986 -0.751 1.00 0.24 H new TER 710 DG B 11 CONECT 134 158 CONECT 158 134 159 160 161 CONECT 159 158 CONECT 160 158 CONECT 161 158 162 CONECT 162 161 163 180 181 CONECT 163 162 164 178 182 CONECT 164 163 165 CONECT 165 164 166 177 183 CONECT 166 165 167 168 CONECT 167 166 175 184 CONECT 168 166 169 170 CONECT 169 168 CONECT 170 168 171 173 CONECT 171 170 172 185 186 CONECT 172 171 187 188 527 CONECT 173 170 174 175 CONECT 174 173 CONECT 175 167 173 176 CONECT 176 175 189 190 191 CONECT 177 165 178 192 193 CONECT 178 163 177 179 194 CONECT 179 178 195 CONECT 180 162 CONECT 181 162 CONECT 182 163 CONECT 183 165 CONECT 184 167 CONECT 185 171 CONECT 186 171 CONECT 187 172 CONECT 188 172 CONECT 189 176 CONECT 190 176 CONECT 191 176 CONECT 192 177 CONECT 193 177 CONECT 194 178 CONECT 195 179 CONECT 489 513 CONECT 513 489 514 515 516 CONECT 514 513 CONECT 515 513 CONECT 516 513 517 CONECT 517 516 518 535 536 CONECT 518 517 519 533 537 CONECT 519 518 520 CONECT 520 519 521 532 538 CONECT 521 520 522 523 CONECT 522 521 530 539 CONECT 523 521 524 525 CONECT 524 523 CONECT 525 523 526 528 CONECT 526 525 527 540 541 CONECT 527 172 526 542 543 CONECT 528 525 529 530 CONECT 529 528 CONECT 530 522 528 531 CONECT 531 530 544 545 546 CONECT 532 520 533 547 548 CONECT 533 518 532 534 549 CONECT 534 533 550 CONECT 535 517 CONECT 536 517 CONECT 537 518 CONECT 538 520 CONECT 539 522 CONECT 540 526 CONECT 541 526 CONECT 542 527 CONECT 543 527 CONECT 544 531 CONECT 545 531 CONECT 546 531 CONECT 547 532 CONECT 548 532 CONECT 549 533 CONECT 550 534 END