USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 138 hydrogens (0 hets) HEADER DNA 27-SEP-01 1K2J TITLE NMR MINIMIZED AVERAGE STRUCTURE OF D(CGTACG)2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*TP*AP*CP*G)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: FROM SOILD-PHASE DNA SYNTHESIZER KEYWDS SELF-COMPLEMENTARY DNA EXPDTA SOLUTION NMR AUTHOR S.L.LAM,L.N.IP REVDAT 2 24-FEB-09 1K2J 1 VERSN REVDAT 1 10-APR-02 1K2J 0 JRNL AUTH S.L.LAM,L.N.IP JRNL TITL LOW TEMPERATURE SOLUTION STRUCTURES AND BASE PAIR JRNL TITL 2 STACKING OF DOUBLE HELICAL D(CGTACG)(2). JRNL REF J.BIOMOL.STRUCT.DYN. V. 19 907 2002 JRNL REFN ISSN 0739-1102 JRNL PMID 11922844 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.0 REMARK 3 AUTHORS : KOLLMAN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: USING AMBER 4.0 REMARK 4 REMARK 4 1K2J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-01. REMARK 100 THE RCSB ID CODE IS RCSB014479. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 3.1 MM (TOTAL STRAND REMARK 210 CONCENTRATION) 5'-D(CGTACG)2 REMARK 210 IN 10 MM SODIUM PHOSPHATE PH REMARK 210 7.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : ARX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.1, MARDIGRAS 3.5 REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS REMARK 210 AND ENERGY MINIMIZATION 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. = 5.4 DEGREES REMARK 500 DT A 3 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES REMARK 500 DT A 3 C5' - C4' - O4' ANGL. DEV. = 8.4 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC A 5 O4' - C4' - C3' ANGL. DEV. = 4.1 DEGREES REMARK 500 DC A 5 C5' - C4' - O4' ANGL. DEV. = 7.1 DEGREES REMARK 500 DC A 5 C6 - N1 - C2 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC B 7 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES REMARK 500 DT B 9 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES REMARK 500 DT B 9 C5' - C4' - O4' ANGL. DEV. = 8.3 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC B 11 O4' - C4' - C3' ANGL. DEV. = 4.1 DEGREES REMARK 500 DC B 11 C5' - C4' - C3' ANGL. DEV. = 7.2 DEGREES REMARK 500 DC B 11 C5' - C4' - O4' ANGL. DEV. = 7.0 DEGREES REMARK 500 DC B 11 C6 - N1 - C2 ANGL. DEV. = 2.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 2 0.12 SIDE_CHAIN REMARK 500 DA A 4 0.13 SIDE_CHAIN REMARK 500 DG A 6 0.10 SIDE_CHAIN REMARK 500 DG B 8 0.12 SIDE_CHAIN REMARK 500 DA B 10 0.13 SIDE_CHAIN REMARK 500 DG B 12 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1K2K RELATED DB: PDB REMARK 900 1K2K CONTAINS THE SAME NUCLEIC ACID STRUCTURE. DBREF 1K2J A 1 6 PDB 1K2J 1K2J 1 6 DBREF 1K2J B 7 12 PDB 1K2J 1K2J 7 12 SEQRES 1 A 6 DC DG DT DA DC DG SEQRES 1 B 6 DC DG DT DA DC DG 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 Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= -1.15 (180deg=-1.15) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 DC O5' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= -1.13 (180deg=-1.13) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 0.892 -6.577 -0.570 1.00 10.00 O ATOM 2 C5' DC A 1 2.083 -7.083 -1.133 1.00 10.00 C ATOM 3 C4' DC A 1 3.322 -6.289 -0.695 1.00 10.00 C ATOM 4 O4' DC A 1 3.364 -4.995 -1.280 1.00 10.00 O ATOM 5 C3' DC A 1 3.467 -6.157 0.827 1.00 10.00 C ATOM 6 O3' DC A 1 4.825 -6.395 1.156 1.00 10.00 O ATOM 7 C2' DC A 1 3.051 -4.703 1.048 1.00 10.00 C ATOM 8 C1' DC A 1 3.486 -4.018 -0.257 1.00 10.00 C ATOM 9 N1 DC A 1 2.645 -2.834 -0.470 1.00 10.00 N ATOM 10 C2 DC A 1 3.078 -1.541 -0.209 1.00 10.00 C ATOM 11 O2 DC A 1 4.227 -1.308 0.158 1.00 10.00 O ATOM 12 N3 DC A 1 2.191 -0.515 -0.365 1.00 10.00 N ATOM 13 C4 DC A 1 0.913 -0.779 -0.680 1.00 10.00 C ATOM 14 N4 DC A 1 0.086 0.243 -0.865 1.00 10.00 N ATOM 15 C5 DC A 1 0.429 -2.120 -0.836 1.00 10.00 C ATOM 16 C6 DC A 1 1.356 -3.096 -0.720 1.00 10.00 C ATOM 0 H5' DC A 1 2.006 -7.060 -2.220 1.00 10.00 H new ATOM 0 H5'' DC A 1 2.203 -8.127 -0.844 1.00 10.00 H new ATOM 0 H4' DC A 1 4.163 -6.880 -1.058 1.00 10.00 H new ATOM 0 H3' DC A 1 2.882 -6.847 1.435 1.00 10.00 H new ATOM 0 H2' DC A 1 1.978 -4.611 1.214 1.00 10.00 H new ATOM 0 H2'' DC A 1 3.546 -4.269 1.916 1.00 10.00 H new ATOM 0 HO5' DC A 1 0.131 -7.112 -0.878 1.00 10.00 H new ATOM 0 H1' DC A 1 4.516 -3.660 -0.239 1.00 10.00 H new ATOM 0 H41 DC A 1 -0.890 0.072 -1.105 1.00 10.00 H new ATOM 0 H42 DC A 1 0.427 1.199 -0.767 1.00 10.00 H new ATOM 0 H5 DC A 1 -0.611 -2.336 -1.034 1.00 10.00 H new ATOM 0 H6 DC A 1 1.046 -4.124 -0.833 1.00 10.00 H new ATOM 29 P DG A 2 5.296 -6.858 2.620 1.00 10.00 P ATOM 30 OP1 DG A 2 6.079 -8.108 2.516 1.00 10.00 O ATOM 31 OP2 DG A 2 4.123 -7.002 3.508 1.00 10.00 O ATOM 32 O5' DG A 2 6.235 -5.715 3.210 1.00 10.00 O ATOM 33 C5' DG A 2 7.501 -5.425 2.642 1.00 10.00 C ATOM 34 C4' DG A 2 8.007 -4.107 3.236 1.00 10.00 C ATOM 35 O4' DG A 2 6.965 -3.176 2.998 1.00 10.00 O ATOM 36 C3' DG A 2 8.232 -4.251 4.784 1.00 10.00 C ATOM 37 O3' DG A 2 9.326 -3.425 5.144 1.00 10.00 O ATOM 38 C2' DG A 2 6.905 -3.630 5.291 1.00 10.00 C ATOM 39 C1' DG A 2 6.527 -2.624 4.213 1.00 10.00 C ATOM 40 N9 DG A 2 5.076 -2.333 4.115 1.00 10.00 N ATOM 41 C8 DG A 2 4.033 -3.217 4.192 1.00 10.00 C ATOM 42 N7 DG A 2 2.880 -2.730 3.830 1.00 10.00 N ATOM 43 C5 DG A 2 3.166 -1.405 3.531 1.00 10.00 C ATOM 44 C6 DG A 2 2.301 -0.357 3.103 1.00 10.00 C ATOM 45 O6 DG A 2 1.123 -0.443 2.764 1.00 10.00 O ATOM 46 N1 DG A 2 2.925 0.880 3.100 1.00 10.00 N ATOM 47 C2 DG A 2 4.250 1.075 3.410 1.00 10.00 C ATOM 48 N2 DG A 2 4.715 2.319 3.437 1.00 10.00 N ATOM 49 N3 DG A 2 5.092 0.084 3.717 1.00 10.00 N ATOM 50 C4 DG A 2 4.491 -1.133 3.772 1.00 10.00 C ATOM 0 H5' DG A 2 7.421 -5.346 1.558 1.00 10.00 H new ATOM 0 H5'' DG A 2 8.205 -6.231 2.852 1.00 10.00 H new ATOM 0 H4' DG A 2 8.956 -3.803 2.794 1.00 10.00 H new ATOM 0 H3' DG A 2 8.444 -5.252 5.160 1.00 10.00 H new ATOM 0 H2' DG A 2 6.133 -4.389 5.416 1.00 10.00 H new ATOM 0 H2'' DG A 2 7.036 -3.146 6.259 1.00 10.00 H new ATOM 0 H1' DG A 2 6.992 -1.670 4.461 1.00 10.00 H new ATOM 0 H8 DG A 2 4.156 -4.237 4.526 1.00 10.00 H new ATOM 0 H1 DG A 2 2.367 1.697 2.852 1.00 10.00 H new ATOM 0 H21 DG A 2 5.694 2.493 3.664 1.00 10.00 H new ATOM 0 H22 DG A 2 4.093 3.101 3.231 1.00 10.00 H new ATOM 62 P DT A 3 9.739 -3.179 6.678 1.00 10.00 P ATOM 63 OP1 DT A 3 11.155 -2.758 6.741 1.00 10.00 O ATOM 64 OP2 DT A 3 9.477 -4.402 7.467 1.00 10.00 O ATOM 65 O5' DT A 3 8.810 -1.984 7.207 1.00 10.00 O ATOM 66 C5' DT A 3 8.980 -0.692 6.668 1.00 10.00 C ATOM 67 C4' DT A 3 7.897 0.304 7.090 1.00 10.00 C ATOM 68 O4' DT A 3 6.660 0.264 6.419 1.00 10.00 O ATOM 69 C3' DT A 3 7.722 0.651 8.562 1.00 10.00 C ATOM 70 O3' DT A 3 7.972 2.034 8.767 1.00 10.00 O ATOM 71 C2' DT A 3 6.245 0.343 8.709 1.00 10.00 C ATOM 72 C1' DT A 3 5.687 0.711 7.337 1.00 10.00 C ATOM 73 N1 DT A 3 4.366 0.136 7.063 1.00 10.00 N ATOM 74 C2 DT A 3 3.275 0.966 6.837 1.00 10.00 C ATOM 75 O2 DT A 3 3.331 2.191 6.867 1.00 10.00 O ATOM 76 N3 DT A 3 2.082 0.327 6.589 1.00 10.00 N ATOM 77 C4 DT A 3 1.871 -1.036 6.593 1.00 10.00 C ATOM 78 O4 DT A 3 0.767 -1.470 6.275 1.00 10.00 O ATOM 79 C5 DT A 3 3.046 -1.826 6.937 1.00 10.00 C ATOM 80 C7 DT A 3 2.916 -3.324 7.139 1.00 10.00 C ATOM 81 C6 DT A 3 4.244 -1.214 7.120 1.00 10.00 C ATOM 0 H5' DT A 3 8.992 -0.762 5.580 1.00 10.00 H new ATOM 0 H5'' DT A 3 9.953 -0.307 6.973 1.00 10.00 H new ATOM 0 H4' DT A 3 8.439 1.158 6.684 1.00 10.00 H new ATOM 0 H3' DT A 3 8.378 0.130 9.259 1.00 10.00 H new ATOM 0 H2' DT A 3 6.072 -0.706 8.948 1.00 10.00 H new ATOM 0 H2'' DT A 3 5.786 0.931 9.504 1.00 10.00 H new ATOM 0 H1' DT A 3 5.512 1.785 7.268 1.00 10.00 H new ATOM 0 H3 DT A 3 1.277 0.918 6.382 1.00 10.00 H new ATOM 0 H71 DT A 3 3.851 -3.811 6.863 1.00 10.00 H new ATOM 0 H72 DT A 3 2.694 -3.532 8.186 1.00 10.00 H new ATOM 0 H73 DT A 3 2.109 -3.707 6.514 1.00 10.00 H new ATOM 0 H6 DT A 3 5.120 -1.815 7.315 1.00 10.00 H new ATOM 94 P DA A 4 8.322 2.657 10.204 1.00 10.00 P ATOM 95 OP1 DA A 4 9.785 2.831 10.333 1.00 10.00 O ATOM 96 OP2 DA A 4 7.757 1.807 11.275 1.00 10.00 O ATOM 97 O5' DA A 4 7.615 4.090 10.272 1.00 10.00 O ATOM 98 C5' DA A 4 7.920 5.111 9.336 1.00 10.00 C ATOM 99 C4' DA A 4 6.651 5.920 9.043 1.00 10.00 C ATOM 100 O4' DA A 4 5.645 4.955 8.744 1.00 10.00 O ATOM 101 C3' DA A 4 6.177 6.752 10.253 1.00 10.00 C ATOM 102 O3' DA A 4 5.772 8.055 9.852 1.00 10.00 O ATOM 103 C2' DA A 4 5.001 5.930 10.760 1.00 10.00 C ATOM 104 C1' DA A 4 4.490 5.211 9.516 1.00 10.00 C ATOM 105 N9 DA A 4 3.861 3.947 9.936 1.00 10.00 N ATOM 106 C8 DA A 4 4.420 2.964 10.700 1.00 10.00 C ATOM 107 N7 DA A 4 3.709 1.869 10.779 1.00 10.00 N ATOM 108 C5 DA A 4 2.555 2.201 10.075 1.00 10.00 C ATOM 109 C6 DA A 4 1.374 1.501 9.776 1.00 10.00 C ATOM 110 N6 DA A 4 1.246 0.194 10.003 1.00 10.00 N ATOM 111 N1 DA A 4 0.337 2.175 9.257 1.00 10.00 N ATOM 112 C2 DA A 4 0.479 3.475 9.007 1.00 10.00 C ATOM 113 N3 DA A 4 1.565 4.223 9.142 1.00 10.00 N ATOM 114 C4 DA A 4 2.589 3.510 9.671 1.00 10.00 C ATOM 0 H5' DA A 4 8.308 4.674 8.416 1.00 10.00 H new ATOM 0 H5'' DA A 4 8.699 5.763 9.732 1.00 10.00 H new ATOM 0 H4' DA A 4 6.847 6.623 8.234 1.00 10.00 H new ATOM 0 H3' DA A 4 6.947 6.920 11.006 1.00 10.00 H new ATOM 0 H2' DA A 4 5.310 5.224 11.530 1.00 10.00 H new ATOM 0 H2'' DA A 4 4.231 6.564 11.199 1.00 10.00 H new ATOM 0 H1' DA A 4 3.754 5.787 8.954 1.00 10.00 H new ATOM 0 H8 DA A 4 5.371 3.081 11.198 1.00 10.00 H new ATOM 0 H61 DA A 4 0.373 -0.280 9.773 1.00 10.00 H new ATOM 0 H62 DA A 4 2.021 -0.332 10.407 1.00 10.00 H new ATOM 0 H2 DA A 4 -0.403 3.985 8.649 1.00 10.00 H new ATOM 126 P DC A 5 5.334 9.179 10.923 1.00 10.00 P ATOM 127 OP1 DC A 5 5.242 10.493 10.250 1.00 10.00 O ATOM 128 OP2 DC A 5 6.286 9.185 12.055 1.00 10.00 O ATOM 129 O5' DC A 5 3.881 8.723 11.426 1.00 10.00 O ATOM 130 C5' DC A 5 2.817 8.661 10.498 1.00 10.00 C ATOM 131 C4' DC A 5 1.445 8.347 11.104 1.00 10.00 C ATOM 132 O4' DC A 5 0.937 7.064 10.886 1.00 10.00 O ATOM 133 C3' DC A 5 1.013 8.856 12.474 1.00 10.00 C ATOM 134 O3' DC A 5 -0.092 9.741 12.335 1.00 10.00 O ATOM 135 C2' DC A 5 0.597 7.571 13.180 1.00 10.00 C ATOM 136 C1' DC A 5 0.088 6.767 11.971 1.00 10.00 C ATOM 137 N1 DC A 5 0.306 5.360 12.261 1.00 10.00 N ATOM 138 C2 DC A 5 -0.736 4.451 12.309 1.00 10.00 C ATOM 139 O2 DC A 5 -1.897 4.791 12.099 1.00 10.00 O ATOM 140 N3 DC A 5 -0.444 3.152 12.594 1.00 10.00 N ATOM 141 C4 DC A 5 0.811 2.810 12.907 1.00 10.00 C ATOM 142 N4 DC A 5 1.088 1.521 13.044 1.00 10.00 N ATOM 143 C5 DC A 5 1.881 3.763 12.940 1.00 10.00 C ATOM 144 C6 DC A 5 1.582 5.031 12.572 1.00 10.00 C ATOM 0 H5' DC A 5 3.050 7.902 9.752 1.00 10.00 H new ATOM 0 H5'' DC A 5 2.756 9.615 9.974 1.00 10.00 H new ATOM 0 H4' DC A 5 0.971 9.071 10.441 1.00 10.00 H new ATOM 0 H3' DC A 5 1.782 9.413 13.009 1.00 10.00 H new ATOM 0 H2' DC A 5 1.430 7.083 13.686 1.00 10.00 H new ATOM 0 H2'' DC A 5 -0.178 7.737 13.928 1.00 10.00 H new ATOM 0 H1' DC A 5 -0.958 6.994 11.763 1.00 10.00 H new ATOM 0 H41 DC A 5 2.035 1.225 13.282 1.00 10.00 H new ATOM 0 H42 DC A 5 0.354 0.825 12.911 1.00 10.00 H new ATOM 0 H5 DC A 5 2.879 3.483 13.244 1.00 10.00 H new ATOM 0 H6 DC A 5 2.360 5.779 12.527 1.00 10.00 H new ATOM 156 P DG A 6 -0.686 10.609 13.551 1.00 10.00 P ATOM 157 OP1 DG A 6 -0.757 12.033 13.158 1.00 10.00 O ATOM 158 OP2 DG A 6 0.123 10.397 14.770 1.00 10.00 O ATOM 159 O5' DG A 6 -2.173 10.065 13.806 1.00 10.00 O ATOM 160 C5' DG A 6 -3.170 10.226 12.813 1.00 10.00 C ATOM 161 C4' DG A 6 -4.411 9.378 13.118 1.00 10.00 C ATOM 162 O4' DG A 6 -4.000 8.049 13.350 1.00 10.00 O ATOM 163 C3' DG A 6 -5.205 9.819 14.359 1.00 10.00 C ATOM 164 O3' DG A 6 -6.591 9.854 14.091 1.00 10.00 O ATOM 165 C2' DG A 6 -4.901 8.790 15.445 1.00 10.00 C ATOM 166 C1' DG A 6 -4.550 7.579 14.566 1.00 10.00 C ATOM 167 N9 DG A 6 -3.535 6.708 15.179 1.00 10.00 N ATOM 168 C8 DG A 6 -2.365 7.109 15.754 1.00 10.00 C ATOM 169 N7 DG A 6 -1.520 6.142 15.987 1.00 10.00 N ATOM 170 C5 DG A 6 -2.198 5.005 15.552 1.00 10.00 C ATOM 171 C6 DG A 6 -1.797 3.636 15.541 1.00 10.00 C ATOM 172 O6 DG A 6 -0.703 3.165 15.846 1.00 10.00 O ATOM 173 N1 DG A 6 -2.812 2.783 15.135 1.00 10.00 N ATOM 174 C2 DG A 6 -4.052 3.203 14.718 1.00 10.00 C ATOM 175 N2 DG A 6 -4.953 2.282 14.397 1.00 10.00 N ATOM 176 N3 DG A 6 -4.420 4.488 14.662 1.00 10.00 N ATOM 177 C4 DG A 6 -3.451 5.338 15.095 1.00 10.00 C ATOM 0 H5' DG A 6 -2.765 9.944 11.841 1.00 10.00 H new ATOM 0 H5'' DG A 6 -3.453 11.277 12.748 1.00 10.00 H new ATOM 0 H4' DG A 6 -5.065 9.493 12.253 1.00 10.00 H new ATOM 0 H3' DG A 6 -4.919 10.825 14.666 1.00 10.00 H new ATOM 0 H2' DG A 6 -4.075 9.093 16.088 1.00 10.00 H new ATOM 0 H2'' DG A 6 -5.757 8.602 16.093 1.00 10.00 H new ATOM 0 HO3' DG A 6 -7.073 10.136 14.897 1.00 10.00 H new ATOM 0 H1' DG A 6 -5.468 7.009 14.427 1.00 10.00 H new ATOM 0 H8 DG A 6 -2.155 8.140 15.996 1.00 10.00 H new ATOM 0 H1 DG A 6 -2.626 1.780 15.147 1.00 10.00 H new ATOM 0 H21 DG A 6 -5.882 2.564 14.084 1.00 10.00 H new ATOM 0 H22 DG A 6 -4.716 1.292 14.463 1.00 10.00 H new TER 190 DG A 6 ATOM 191 O5' DC B 7 -1.887 -6.243 15.684 1.00 10.00 O ATOM 192 C5' DC B 7 -3.153 -6.489 16.256 1.00 10.00 C ATOM 193 C4' DC B 7 -4.214 -5.477 15.801 1.00 10.00 C ATOM 194 O4' DC B 7 -4.030 -4.182 16.359 1.00 10.00 O ATOM 195 C3' DC B 7 -4.337 -5.353 14.276 1.00 10.00 C ATOM 196 O3' DC B 7 -5.717 -5.365 13.948 1.00 10.00 O ATOM 197 C2' DC B 7 -3.680 -3.996 14.026 1.00 10.00 C ATOM 198 C1' DC B 7 -3.986 -3.219 15.316 1.00 10.00 C ATOM 199 N1 DC B 7 -2.960 -2.186 15.502 1.00 10.00 N ATOM 200 C2 DC B 7 -3.177 -0.843 15.222 1.00 10.00 C ATOM 201 O2 DC B 7 -4.275 -0.429 14.863 1.00 10.00 O ATOM 202 N3 DC B 7 -2.130 0.024 15.352 1.00 10.00 N ATOM 203 C4 DC B 7 -0.909 -0.442 15.660 1.00 10.00 C ATOM 204 N4 DC B 7 0.077 0.432 15.818 1.00 10.00 N ATOM 205 C5 DC B 7 -0.652 -1.842 15.835 1.00 10.00 C ATOM 206 C6 DC B 7 -1.729 -2.653 15.744 1.00 10.00 C ATOM 0 H5' DC B 7 -3.069 -6.458 17.342 1.00 10.00 H new ATOM 0 H5'' DC B 7 -3.478 -7.495 15.990 1.00 10.00 H new ATOM 0 H4' DC B 7 -5.145 -5.895 16.184 1.00 10.00 H new ATOM 0 H3' DC B 7 -3.878 -6.144 13.683 1.00 10.00 H new ATOM 0 H2' DC B 7 -2.607 -4.092 13.858 1.00 10.00 H new ATOM 0 H2'' DC B 7 -4.097 -3.501 13.149 1.00 10.00 H new ATOM 0 HO5' DC B 7 -1.247 -6.912 16.006 1.00 10.00 H new ATOM 0 H1' DC B 7 -4.939 -2.691 15.292 1.00 10.00 H new ATOM 0 H41 DC B 7 1.015 0.106 16.052 1.00 10.00 H new ATOM 0 H42 DC B 7 -0.103 1.430 15.705 1.00 10.00 H new ATOM 0 H5 DC B 7 0.340 -2.224 16.027 1.00 10.00 H new ATOM 0 H6 DC B 7 -1.592 -3.717 15.871 1.00 10.00 H new ATOM 219 P DG B 8 -6.261 -5.765 12.491 1.00 10.00 P ATOM 220 OP1 DG B 8 -7.248 -6.859 12.614 1.00 10.00 O ATOM 221 OP2 DG B 8 -5.129 -6.126 11.609 1.00 10.00 O ATOM 222 O5' DG B 8 -6.988 -4.488 11.878 1.00 10.00 O ATOM 223 C5' DG B 8 -8.184 -3.973 12.438 1.00 10.00 C ATOM 224 C4' DG B 8 -8.459 -2.602 11.812 1.00 10.00 C ATOM 225 O4' DG B 8 -7.273 -1.856 12.031 1.00 10.00 O ATOM 226 C3' DG B 8 -8.708 -2.742 10.267 1.00 10.00 C ATOM 227 O3' DG B 8 -9.646 -1.751 9.885 1.00 10.00 O ATOM 228 C2' DG B 8 -7.296 -2.367 9.749 1.00 10.00 C ATOM 229 C1' DG B 8 -6.750 -1.415 10.805 1.00 10.00 C ATOM 230 N9 DG B 8 -5.271 -1.373 10.900 1.00 10.00 N ATOM 231 C8 DG B 8 -4.394 -2.423 10.848 1.00 10.00 C ATOM 232 N7 DG B 8 -3.175 -2.132 11.205 1.00 10.00 N ATOM 233 C5 DG B 8 -3.231 -0.771 11.473 1.00 10.00 C ATOM 234 C6 DG B 8 -2.201 0.125 11.881 1.00 10.00 C ATOM 235 O6 DG B 8 -1.055 -0.152 12.230 1.00 10.00 O ATOM 236 N1 DG B 8 -2.605 1.450 11.853 1.00 10.00 N ATOM 237 C2 DG B 8 -3.876 1.861 11.530 1.00 10.00 C ATOM 238 N2 DG B 8 -4.123 3.164 11.473 1.00 10.00 N ATOM 239 N3 DG B 8 -4.874 1.020 11.241 1.00 10.00 N ATOM 240 C4 DG B 8 -4.490 -0.283 11.217 1.00 10.00 C ATOM 0 H5' DG B 8 -8.088 -3.884 13.520 1.00 10.00 H new ATOM 0 H5'' DG B 8 -9.015 -4.651 12.246 1.00 10.00 H new ATOM 0 H4' DG B 8 -9.341 -2.131 12.245 1.00 10.00 H new ATOM 0 H3' DG B 8 -9.087 -3.701 9.914 1.00 10.00 H new ATOM 0 H2' DG B 8 -6.664 -3.249 9.643 1.00 10.00 H new ATOM 0 H2'' DG B 8 -7.345 -1.890 8.770 1.00 10.00 H new ATOM 0 H1' DG B 8 -7.046 -0.402 10.534 1.00 10.00 H new ATOM 0 H8 DG B 8 -4.689 -3.414 10.536 1.00 10.00 H new ATOM 0 H1 DG B 8 -1.916 2.165 12.087 1.00 10.00 H new ATOM 0 H21 DG B 8 -5.058 3.496 11.236 1.00 10.00 H new ATOM 0 H22 DG B 8 -3.378 3.833 11.667 1.00 10.00 H new ATOM 252 P DT B 9 -10.014 -1.475 8.345 1.00 10.00 P ATOM 253 OP1 DT B 9 -11.339 -0.822 8.269 1.00 10.00 O ATOM 254 OP2 DT B 9 -9.965 -2.743 7.586 1.00 10.00 O ATOM 255 O5' DT B 9 -8.898 -0.467 7.790 1.00 10.00 O ATOM 256 C5' DT B 9 -8.845 0.847 8.298 1.00 10.00 C ATOM 257 C4' DT B 9 -7.610 1.635 7.855 1.00 10.00 C ATOM 258 O4' DT B 9 -6.396 1.401 8.530 1.00 10.00 O ATOM 259 C3' DT B 9 -7.381 1.912 6.376 1.00 10.00 C ATOM 260 O3' DT B 9 -7.393 3.312 6.137 1.00 10.00 O ATOM 261 C2' DT B 9 -5.978 1.355 6.240 1.00 10.00 C ATOM 262 C1' DT B 9 -5.364 1.655 7.604 1.00 10.00 C ATOM 263 N1 DT B 9 -4.158 0.871 7.896 1.00 10.00 N ATOM 264 C2 DT B 9 -2.943 1.508 8.107 1.00 10.00 C ATOM 265 O2 DT B 9 -2.790 2.724 8.049 1.00 10.00 O ATOM 266 N3 DT B 9 -1.876 0.683 8.377 1.00 10.00 N ATOM 267 C4 DT B 9 -1.899 -0.696 8.405 1.00 10.00 C ATOM 268 O4 DT B 9 -0.885 -1.303 8.739 1.00 10.00 O ATOM 269 C5 DT B 9 -3.190 -1.283 8.074 1.00 10.00 C ATOM 270 C7 DT B 9 -3.316 -2.786 7.908 1.00 10.00 C ATOM 271 C6 DT B 9 -4.267 -0.481 7.871 1.00 10.00 C ATOM 0 H5' DT B 9 -8.866 0.806 9.387 1.00 10.00 H new ATOM 0 H5'' DT B 9 -9.739 1.384 7.982 1.00 10.00 H new ATOM 0 H4' DT B 9 -7.998 2.578 8.239 1.00 10.00 H new ATOM 0 H3' DT B 9 -8.118 1.493 5.690 1.00 10.00 H new ATOM 0 H2' DT B 9 -5.986 0.286 6.026 1.00 10.00 H new ATOM 0 H2'' DT B 9 -5.427 1.838 5.433 1.00 10.00 H new ATOM 0 H1' DT B 9 -5.010 2.685 7.647 1.00 10.00 H new ATOM 0 H3 DT B 9 -0.983 1.134 8.575 1.00 10.00 H new ATOM 0 H71 DT B 9 -4.321 -3.100 8.191 1.00 10.00 H new ATOM 0 H72 DT B 9 -3.132 -3.054 6.868 1.00 10.00 H new ATOM 0 H73 DT B 9 -2.586 -3.285 8.546 1.00 10.00 H new ATOM 0 H6 DT B 9 -5.232 -0.930 7.686 1.00 10.00 H new ATOM 284 P DA B 10 -7.637 3.950 4.684 1.00 10.00 P ATOM 285 OP1 DA B 10 -9.051 4.364 4.550 1.00 10.00 O ATOM 286 OP2 DA B 10 -7.225 2.992 3.636 1.00 10.00 O ATOM 287 O5' DA B 10 -6.700 5.242 4.583 1.00 10.00 O ATOM 288 C5' DA B 10 -6.828 6.323 5.492 1.00 10.00 C ATOM 289 C4' DA B 10 -5.440 6.915 5.768 1.00 10.00 C ATOM 290 O4' DA B 10 -4.610 5.802 6.095 1.00 10.00 O ATOM 291 C3' DA B 10 -4.836 7.624 4.538 1.00 10.00 C ATOM 292 O3' DA B 10 -4.219 8.851 4.904 1.00 10.00 O ATOM 293 C2' DA B 10 -3.813 6.603 4.057 1.00 10.00 C ATOM 294 C1' DA B 10 -3.429 5.841 5.321 1.00 10.00 C ATOM 295 N9 DA B 10 -3.023 4.478 4.935 1.00 10.00 N ATOM 296 C8 DA B 10 -3.740 3.584 4.193 1.00 10.00 C ATOM 297 N7 DA B 10 -3.224 2.384 4.143 1.00 10.00 N ATOM 298 C5 DA B 10 -2.030 2.534 4.844 1.00 10.00 C ATOM 299 C6 DA B 10 -0.985 1.652 5.165 1.00 10.00 C ATOM 300 N6 DA B 10 -1.080 0.337 4.970 1.00 10.00 N ATOM 301 N1 DA B 10 0.151 2.153 5.675 1.00 10.00 N ATOM 302 C2 DA B 10 0.229 3.464 5.894 1.00 10.00 C ATOM 303 N3 DA B 10 -0.714 4.381 5.735 1.00 10.00 N ATOM 304 C4 DA B 10 -1.843 3.839 5.217 1.00 10.00 C ATOM 0 H5' DA B 10 -7.282 5.980 6.422 1.00 10.00 H new ATOM 0 H5'' DA B 10 -7.487 7.086 5.078 1.00 10.00 H new ATOM 0 H4' DA B 10 -5.512 7.662 6.559 1.00 10.00 H new ATOM 0 H3' DA B 10 -5.569 7.898 3.779 1.00 10.00 H new ATOM 0 H2' DA B 10 -4.236 5.939 3.304 1.00 10.00 H new ATOM 0 H2'' DA B 10 -2.948 7.088 3.605 1.00 10.00 H new ATOM 0 H1' DA B 10 -2.607 6.299 5.870 1.00 10.00 H new ATOM 0 H8 DA B 10 -4.658 3.847 3.689 1.00 10.00 H new ATOM 0 H61 DA B 10 -0.300 -0.273 5.215 1.00 10.00 H new ATOM 0 H62 DA B 10 -1.933 -0.060 4.575 1.00 10.00 H new ATOM 0 H2 DA B 10 1.183 3.826 6.246 1.00 10.00 H new ATOM 316 P DC B 11 -3.602 9.857 3.804 1.00 10.00 P ATOM 317 OP1 DC B 11 -3.292 11.156 4.440 1.00 10.00 O ATOM 318 OP2 DC B 11 -4.540 9.989 2.668 1.00 10.00 O ATOM 319 O5' DC B 11 -2.246 9.150 3.319 1.00 10.00 O ATOM 320 C5' DC B 11 -1.206 8.940 4.253 1.00 10.00 C ATOM 321 C4' DC B 11 0.094 8.384 3.663 1.00 10.00 C ATOM 322 O4' DC B 11 0.379 7.041 3.923 1.00 10.00 O ATOM 323 C3' DC B 11 0.609 8.771 2.282 1.00 10.00 C ATOM 324 O3' DC B 11 1.841 9.471 2.399 1.00 10.00 O ATOM 325 C2' DC B 11 0.810 7.415 1.616 1.00 10.00 C ATOM 326 C1' DC B 11 1.169 6.573 2.853 1.00 10.00 C ATOM 327 N1 DC B 11 0.715 5.216 2.600 1.00 10.00 N ATOM 328 C2 DC B 11 1.588 4.143 2.581 1.00 10.00 C ATOM 329 O2 DC B 11 2.789 4.286 2.791 1.00 10.00 O ATOM 330 N3 DC B 11 1.082 2.906 2.322 1.00 10.00 N ATOM 331 C4 DC B 11 -0.212 2.774 2.006 1.00 10.00 C ATOM 332 N4 DC B 11 -0.702 1.548 1.894 1.00 10.00 N ATOM 333 C5 DC B 11 -1.104 3.894 1.942 1.00 10.00 C ATOM 334 C6 DC B 11 -0.596 5.101 2.285 1.00 10.00 C ATOM 0 H5' DC B 11 -1.561 8.253 5.021 1.00 10.00 H new ATOM 0 H5'' DC B 11 -0.987 9.886 4.748 1.00 10.00 H new ATOM 0 H4' DC B 11 0.680 9.042 4.304 1.00 10.00 H new ATOM 0 H3' DC B 11 -0.058 9.429 1.725 1.00 10.00 H new ATOM 0 H2' DC B 11 -0.089 7.058 1.113 1.00 10.00 H new ATOM 0 H2'' DC B 11 1.607 7.428 0.873 1.00 10.00 H new ATOM 0 H1' DC B 11 2.237 6.626 3.065 1.00 10.00 H new ATOM 0 H41 DC B 11 -1.684 1.411 1.654 1.00 10.00 H new ATOM 0 H42 DC B 11 -0.097 0.741 2.047 1.00 10.00 H new ATOM 0 H5 DC B 11 -2.133 3.780 1.635 1.00 10.00 H new ATOM 0 H6 DC B 11 -1.236 5.971 2.307 1.00 10.00 H new ATOM 346 P DG B 12 2.565 10.195 1.159 1.00 10.00 P ATOM 347 OP1 DG B 12 2.879 11.595 1.516 1.00 10.00 O ATOM 348 OP2 DG B 12 1.721 10.096 -0.051 1.00 10.00 O ATOM 349 O5' DG B 12 3.935 9.402 0.910 1.00 10.00 O ATOM 350 C5' DG B 12 4.956 9.418 1.892 1.00 10.00 C ATOM 351 C4' DG B 12 6.035 8.369 1.600 1.00 10.00 C ATOM 352 O4' DG B 12 5.406 7.122 1.401 1.00 10.00 O ATOM 353 C3' DG B 12 6.879 8.643 0.343 1.00 10.00 C ATOM 354 O3' DG B 12 8.254 8.453 0.603 1.00 10.00 O ATOM 355 C2' DG B 12 6.397 7.655 -0.717 1.00 10.00 C ATOM 356 C1' DG B 12 5.857 6.541 0.194 1.00 10.00 C ATOM 357 N9 DG B 12 4.703 5.838 -0.391 1.00 10.00 N ATOM 358 C8 DG B 12 3.612 6.416 -0.974 1.00 10.00 C ATOM 359 N7 DG B 12 2.613 5.601 -1.173 1.00 10.00 N ATOM 360 C5 DG B 12 3.092 4.378 -0.704 1.00 10.00 C ATOM 361 C6 DG B 12 2.464 3.098 -0.647 1.00 10.00 C ATOM 362 O6 DG B 12 1.303 2.811 -0.932 1.00 10.00 O ATOM 363 N1 DG B 12 3.322 2.097 -0.218 1.00 10.00 N ATOM 364 C2 DG B 12 4.620 2.314 0.182 1.00 10.00 C ATOM 365 N2 DG B 12 5.355 1.263 0.528 1.00 10.00 N ATOM 366 N3 DG B 12 5.201 3.518 0.195 1.00 10.00 N ATOM 367 C4 DG B 12 4.387 4.506 -0.263 1.00 10.00 C ATOM 0 H5' DG B 12 4.521 9.230 2.873 1.00 10.00 H new ATOM 0 H5'' DG B 12 5.411 10.408 1.929 1.00 10.00 H new ATOM 0 H4' DG B 12 6.707 8.393 2.458 1.00 10.00 H new ATOM 0 H3' DG B 12 6.761 9.675 0.013 1.00 10.00 H new ATOM 0 H2' DG B 12 5.627 8.077 -1.363 1.00 10.00 H new ATOM 0 H2'' DG B 12 7.203 7.311 -1.365 1.00 10.00 H new ATOM 0 HO3' DG B 12 8.769 8.632 -0.212 1.00 10.00 H new ATOM 0 H1' DG B 12 6.669 5.829 0.341 1.00 10.00 H new ATOM 0 H8 DG B 12 3.579 7.460 -1.247 1.00 10.00 H new ATOM 0 H1 DG B 12 2.969 1.140 -0.198 1.00 10.00 H new ATOM 0 H21 DG B 12 6.321 1.393 0.829 1.00 10.00 H new ATOM 0 H22 DG B 12 4.953 0.326 0.493 1.00 10.00 H new TER 380 DG B 12 END