HEADER DNA 28-SEP-01 1K2K 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 SOLID-PHASE DNA SYNTHESIZER KEYWDS SELF-COMPLEMENTARY DNA EXPDTA SOLUTION NMR AUTHOR S.L.LAM,L.N.IP REVDAT 2 24-FEB-09 1K2K 1 VERSN REVDAT 1 10-APR-02 1K2K 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 1K2K 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 RCSB014480. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 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. = 4.6 DEGREES REMARK 500 DT A 3 C5' - C4' - O4' ANGL. DEV. = 9.1 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC A 5 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES REMARK 500 DC A 5 C5' - C4' - O4' ANGL. DEV. = 12.6 DEGREES REMARK 500 DG A 6 O4' - C1' - C2' ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 7 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT B 9 C5' - C4' - O4' ANGL. DEV. = 9.1 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC B 11 O4' - C4' - C3' ANGL. DEV. = 5.4 DEGREES REMARK 500 DC B 11 C5' - C4' - O4' ANGL. DEV. = 12.6 DEGREES REMARK 500 DG B 12 O4' - C1' - C2' ANGL. DEV. = 3.1 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 0.11 SIDE_CHAIN REMARK 500 DT A 3 0.07 SIDE_CHAIN REMARK 500 DA A 4 0.10 SIDE_CHAIN REMARK 500 DG B 8 0.11 SIDE_CHAIN REMARK 500 DT B 9 0.07 SIDE_CHAIN REMARK 500 DA B 10 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1K2J RELATED DB: PDB REMARK 900 1K2J CONTAINS THE SAME NUCLEIC ACID STRUCTURE. DBREF 1K2K A 1 6 PDB 1K2K 1K2K 1 6 DBREF 1K2K B 7 12 PDB 1K2K 1K2K 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 ATOM 1 O5' DC A 1 1.086 -6.065 -2.224 1.00 10.00 O ATOM 2 C5' DC A 1 2.437 -6.250 -2.588 1.00 10.00 C ATOM 3 C4' DC A 1 3.395 -5.401 -1.741 1.00 10.00 C ATOM 4 O4' DC A 1 3.229 -4.012 -2.028 1.00 10.00 O ATOM 5 C3' DC A 1 3.107 -5.574 -0.218 1.00 10.00 C ATOM 6 O3' DC A 1 4.387 -5.588 0.390 1.00 10.00 O ATOM 7 C2' DC A 1 2.284 -4.306 0.077 1.00 10.00 C ATOM 8 C1' DC A 1 2.958 -3.285 -0.829 1.00 10.00 C ATOM 9 N1 DC A 1 2.104 -2.101 -1.054 1.00 10.00 N ATOM 10 C2 DC A 1 2.353 -0.881 -0.434 1.00 10.00 C ATOM 11 O2 DC A 1 3.253 -0.751 0.392 1.00 10.00 O ATOM 12 N3 DC A 1 1.583 0.196 -0.774 1.00 10.00 N ATOM 13 C4 DC A 1 0.568 0.049 -1.636 1.00 10.00 C ATOM 14 N4 DC A 1 -0.139 1.124 -1.967 1.00 10.00 N ATOM 15 C5 DC A 1 0.266 -1.214 -2.243 1.00 10.00 C ATOM 16 C6 DC A 1 1.080 -2.243 -1.916 1.00 10.00 C ATOM 17 H5' DC A 1 2.562 -5.998 -3.642 1.00 10.00 H ATOM 18 H5'' DC A 1 2.686 -7.302 -2.448 1.00 10.00 H ATOM 19 H4' DC A 1 4.414 -5.683 -2.100 1.00 10.00 H ATOM 20 H3' DC A 1 2.550 -6.485 0.078 1.00 10.00 H ATOM 21 H2' DC A 1 1.234 -4.399 -0.222 1.00 10.00 H ATOM 22 H2'' DC A 1 2.276 -4.005 1.115 1.00 10.00 H ATOM 23 H1' DC A 1 3.879 -2.922 -0.439 1.00 10.00 H ATOM 24 H41 DC A 1 0.172 2.034 -1.647 1.00 10.00 H ATOM 25 H42 DC A 1 -0.893 1.053 -2.630 1.00 10.00 H ATOM 26 H5 DC A 1 -0.541 -1.372 -2.943 1.00 10.00 H ATOM 27 H6 DC A 1 1.029 -3.247 -2.283 1.00 10.00 H ATOM 28 HO5' DC A 1 0.830 -5.168 -2.443 1.00 10.00 H ATOM 29 P DG A 2 4.729 -6.520 1.654 1.00 10.00 P ATOM 30 OP1 DG A 2 5.294 -7.802 1.181 1.00 10.00 O ATOM 31 OP2 DG A 2 3.517 -6.716 2.478 1.00 10.00 O ATOM 32 O5' DG A 2 5.825 -5.771 2.541 1.00 10.00 O ATOM 33 C5' DG A 2 7.139 -5.537 2.066 1.00 10.00 C ATOM 34 C4' DG A 2 7.751 -4.386 2.873 1.00 10.00 C ATOM 35 O4' DG A 2 6.834 -3.313 2.756 1.00 10.00 O ATOM 36 C3' DG A 2 7.896 -4.727 4.374 1.00 10.00 C ATOM 37 O3' DG A 2 9.086 -4.118 4.850 1.00 10.00 O ATOM 38 C2' DG A 2 6.654 -4.081 4.997 1.00 10.00 C ATOM 39 C1' DG A 2 6.336 -2.949 4.026 1.00 10.00 C ATOM 40 N9 DG A 2 4.870 -2.714 3.917 1.00 10.00 N ATOM 41 C8 DG A 2 3.852 -3.640 3.811 1.00 10.00 C ATOM 42 N7 DG A 2 2.688 -3.124 3.537 1.00 10.00 N ATOM 43 C5 DG A 2 2.938 -1.762 3.461 1.00 10.00 C ATOM 44 C6 DG A 2 2.061 -0.686 3.141 1.00 10.00 C ATOM 45 O6 DG A 2 0.905 -0.748 2.725 1.00 10.00 O ATOM 46 N1 DG A 2 2.653 0.552 3.323 1.00 10.00 N ATOM 47 C2 DG A 2 3.966 0.737 3.677 1.00 10.00 C ATOM 48 N2 DG A 2 4.398 1.979 3.858 1.00 10.00 N ATOM 49 N3 DG A 2 4.825 -0.266 3.879 1.00 10.00 N ATOM 50 C4 DG A 2 4.252 -1.494 3.759 1.00 10.00 C ATOM 51 H5' DG A 2 7.106 -5.235 1.018 1.00 10.00 H ATOM 52 H5'' DG A 2 7.744 -6.440 2.158 1.00 10.00 H ATOM 53 H4' DG A 2 8.692 -4.036 2.414 1.00 10.00 H ATOM 54 H3' DG A 2 7.942 -5.814 4.549 1.00 10.00 H ATOM 55 H2' DG A 2 5.843 -4.756 5.201 1.00 10.00 H ATOM 56 H2'' DG A 2 6.798 -3.711 5.983 1.00 10.00 H ATOM 57 H1' DG A 2 6.935 -2.077 4.311 1.00 10.00 H ATOM 58 H8 DG A 2 3.963 -4.711 3.950 1.00 10.00 H ATOM 59 H1 DG A 2 2.059 1.351 3.107 1.00 10.00 H ATOM 60 H21 DG A 2 3.759 2.761 3.767 1.00 10.00 H ATOM 61 H22 DG A 2 5.345 2.124 4.168 1.00 10.00 H ATOM 62 P DT A 3 9.503 -4.115 6.402 1.00 10.00 P ATOM 63 OP1 DT A 3 10.966 -3.939 6.526 1.00 10.00 O ATOM 64 OP2 DT A 3 9.014 -5.343 7.066 1.00 10.00 O ATOM 65 O5' DT A 3 8.760 -2.824 7.009 1.00 10.00 O ATOM 66 C5' DT A 3 9.007 -1.563 6.421 1.00 10.00 C ATOM 67 C4' DT A 3 8.048 -0.433 6.816 1.00 10.00 C ATOM 68 O4' DT A 3 6.697 -0.522 6.431 1.00 10.00 O ATOM 69 C3' DT A 3 8.060 -0.002 8.299 1.00 10.00 C ATOM 70 O3' DT A 3 8.414 1.369 8.364 1.00 10.00 O ATOM 71 C2' DT A 3 6.605 -0.228 8.739 1.00 10.00 C ATOM 72 C1' DT A 3 5.923 0.167 7.409 1.00 10.00 C ATOM 73 N1 DT A 3 4.537 -0.318 7.301 1.00 10.00 N ATOM 74 C2 DT A 3 3.490 0.574 7.096 1.00 10.00 C ATOM 75 O2 DT A 3 3.605 1.793 7.183 1.00 10.00 O ATOM 76 N3 DT A 3 2.272 0.008 6.783 1.00 10.00 N ATOM 77 C4 DT A 3 2.003 -1.343 6.694 1.00 10.00 C ATOM 78 O4 DT A 3 0.884 -1.716 6.355 1.00 10.00 O ATOM 79 C5 DT A 3 3.140 -2.206 6.968 1.00 10.00 C ATOM 80 C7 DT A 3 2.965 -3.713 6.967 1.00 10.00 C ATOM 81 C6 DT A 3 4.351 -1.663 7.239 1.00 10.00 C ATOM 82 H5' DT A 3 8.962 -1.649 5.335 1.00 10.00 H ATOM 83 H5'' DT A 3 10.020 -1.257 6.685 1.00 10.00 H ATOM 84 H4' DT A 3 8.350 0.323 6.096 1.00 10.00 H ATOM 85 H3' DT A 3 8.753 -0.614 8.878 1.00 10.00 H ATOM 86 H2' DT A 3 6.477 -1.294 9.049 1.00 10.00 H ATOM 87 H2'' DT A 3 6.269 0.385 9.584 1.00 10.00 H ATOM 88 H1' DT A 3 5.981 1.258 7.212 1.00 10.00 H ATOM 89 H3 DT A 3 1.533 0.656 6.516 1.00 10.00 H ATOM 90 H71 DT A 3 2.577 -4.026 7.937 1.00 10.00 H ATOM 91 H72 DT A 3 2.245 -3.996 6.197 1.00 10.00 H ATOM 92 H73 DT A 3 3.910 -4.219 6.776 1.00 10.00 H ATOM 93 H6 DT A 3 5.266 -2.225 7.354 1.00 10.00 H ATOM 94 P DA A 4 8.770 2.105 9.746 1.00 10.00 P ATOM 95 OP1 DA A 4 10.109 2.725 9.647 1.00 10.00 O ATOM 96 OP2 DA A 4 8.675 1.145 10.868 1.00 10.00 O ATOM 97 O5' DA A 4 7.676 3.254 9.952 1.00 10.00 O ATOM 98 C5' DA A 4 7.701 4.423 9.152 1.00 10.00 C ATOM 99 C4' DA A 4 6.453 5.280 9.391 1.00 10.00 C ATOM 100 O4' DA A 4 5.318 4.479 9.072 1.00 10.00 O ATOM 101 C3' DA A 4 6.327 5.738 10.860 1.00 10.00 C ATOM 102 O3' DA A 4 6.208 7.145 11.007 1.00 10.00 O ATOM 103 C2' DA A 4 5.064 5.020 11.352 1.00 10.00 C ATOM 104 C1' DA A 4 4.332 4.581 10.082 1.00 10.00 C ATOM 105 N9 DA A 4 3.613 3.303 10.285 1.00 10.00 N ATOM 106 C8 DA A 4 4.051 2.182 10.936 1.00 10.00 C ATOM 107 N7 DA A 4 3.273 1.141 10.829 1.00 10.00 N ATOM 108 C5 DA A 4 2.197 1.640 10.105 1.00 10.00 C ATOM 109 C6 DA A 4 1.004 1.059 9.650 1.00 10.00 C ATOM 110 N6 DA A 4 0.775 -0.247 9.771 1.00 10.00 N ATOM 111 N1 DA A 4 0.076 1.838 9.073 1.00 10.00 N ATOM 112 C2 DA A 4 0.331 3.138 8.951 1.00 10.00 C ATOM 113 N3 DA A 4 1.433 3.800 9.281 1.00 10.00 N ATOM 114 C4 DA A 4 2.353 2.976 9.843 1.00 10.00 C ATOM 115 H5' DA A 4 7.727 4.141 8.098 1.00 10.00 H ATOM 116 H5'' DA A 4 8.593 5.009 9.380 1.00 10.00 H ATOM 117 H4' DA A 4 6.513 6.142 8.703 1.00 10.00 H ATOM 118 H3' DA A 4 7.222 5.441 11.409 1.00 10.00 H ATOM 119 H2' DA A 4 5.211 4.264 12.120 1.00 10.00 H ATOM 120 H2'' DA A 4 4.429 5.707 11.849 1.00 10.00 H ATOM 121 H1' DA A 4 3.625 5.342 9.756 1.00 10.00 H ATOM 122 H8 DA A 4 4.961 2.190 11.504 1.00 10.00 H ATOM 123 H61 DA A 4 -0.055 -0.671 9.376 1.00 10.00 H ATOM 124 H62 DA A 4 1.450 -0.801 10.274 1.00 10.00 H ATOM 125 H2 DA A 4 -0.442 3.743 8.508 1.00 10.00 H ATOM 126 P DC A 5 6.167 7.836 12.470 1.00 10.00 P ATOM 127 OP1 DC A 5 6.522 9.267 12.345 1.00 10.00 O ATOM 128 OP2 DC A 5 7.074 7.111 13.387 1.00 10.00 O ATOM 129 O5' DC A 5 4.656 7.722 13.009 1.00 10.00 O ATOM 130 C5' DC A 5 3.648 8.506 12.407 1.00 10.00 C ATOM 131 C4' DC A 5 2.265 7.839 12.298 1.00 10.00 C ATOM 132 O4' DC A 5 2.091 6.561 11.758 1.00 10.00 O ATOM 133 C3' DC A 5 1.125 8.203 13.256 1.00 10.00 C ATOM 134 O3' DC A 5 0.408 9.342 12.809 1.00 10.00 O ATOM 135 C2' DC A 5 0.290 6.901 13.303 1.00 10.00 C ATOM 136 C1' DC A 5 0.756 6.165 12.037 1.00 10.00 C ATOM 137 N1 DC A 5 0.798 4.732 12.352 1.00 10.00 N ATOM 138 C2 DC A 5 -0.269 3.912 12.021 1.00 10.00 C ATOM 139 O2 DC A 5 -1.234 4.334 11.389 1.00 10.00 O ATOM 140 N3 DC A 5 -0.233 2.611 12.413 1.00 10.00 N ATOM 141 C4 DC A 5 0.765 2.167 13.184 1.00 10.00 C ATOM 142 N4 DC A 5 0.791 0.873 13.470 1.00 10.00 N ATOM 143 C5 DC A 5 1.812 3.032 13.640 1.00 10.00 C ATOM 144 C6 DC A 5 1.796 4.302 13.172 1.00 10.00 C ATOM 145 H5' DC A 5 3.965 8.745 11.388 1.00 10.00 H ATOM 146 H5'' DC A 5 3.558 9.449 12.947 1.00 10.00 H ATOM 147 H4' DC A 5 1.989 8.259 11.372 1.00 10.00 H ATOM 148 H3' DC A 5 1.665 8.411 14.185 1.00 10.00 H ATOM 149 H2' DC A 5 0.599 6.373 14.205 1.00 10.00 H ATOM 150 H2'' DC A 5 -0.825 6.926 13.281 1.00 10.00 H ATOM 151 H1' DC A 5 0.122 6.416 11.185 1.00 10.00 H ATOM 152 H41 DC A 5 0.074 0.284 13.061 1.00 10.00 H ATOM 153 H42 DC A 5 1.529 0.481 14.029 1.00 10.00 H ATOM 154 H5 DC A 5 2.539 2.731 14.377 1.00 10.00 H ATOM 155 H6 DC A 5 2.530 5.073 13.412 1.00 10.00 H ATOM 156 P DG A 6 -0.148 10.455 13.832 1.00 10.00 P ATOM 157 OP1 DG A 6 -0.176 11.762 13.139 1.00 10.00 O ATOM 158 OP2 DG A 6 0.701 10.491 15.043 1.00 10.00 O ATOM 159 O5' DG A 6 -1.643 10.077 14.256 1.00 10.00 O ATOM 160 C5' DG A 6 -2.706 10.311 13.354 1.00 10.00 C ATOM 161 C4' DG A 6 -3.987 9.604 13.801 1.00 10.00 C ATOM 162 O4' DG A 6 -3.675 8.254 14.056 1.00 10.00 O ATOM 163 C3' DG A 6 -4.624 10.173 15.086 1.00 10.00 C ATOM 164 O3' DG A 6 -6.002 10.394 14.872 1.00 10.00 O ATOM 165 C2' DG A 6 -4.434 9.118 16.196 1.00 10.00 C ATOM 166 C1' DG A 6 -4.067 7.867 15.360 1.00 10.00 C ATOM 167 N9 DG A 6 -2.932 7.067 15.888 1.00 10.00 N ATOM 168 C8 DG A 6 -1.764 7.462 16.513 1.00 10.00 C ATOM 169 N7 DG A 6 -0.902 6.492 16.673 1.00 10.00 N ATOM 170 C5 DG A 6 -1.515 5.385 16.092 1.00 10.00 C ATOM 171 C6 DG A 6 -1.056 4.042 15.920 1.00 10.00 C ATOM 172 O6 DG A 6 0.024 3.555 16.247 1.00 10.00 O ATOM 173 N1 DG A 6 -1.993 3.226 15.301 1.00 10.00 N ATOM 174 C2 DG A 6 -3.198 3.670 14.816 1.00 10.00 C ATOM 175 N2 DG A 6 -4.000 2.797 14.218 1.00 10.00 N ATOM 176 N3 DG A 6 -3.628 4.927 14.950 1.00 10.00 N ATOM 177 C4 DG A 6 -2.749 5.733 15.604 1.00 10.00 C ATOM 178 H5' DG A 6 -2.433 9.911 12.376 1.00 10.00 H ATOM 179 H5'' DG A 6 -2.889 11.382 13.254 1.00 10.00 H ATOM 180 H4' DG A 6 -4.671 9.642 12.933 1.00 10.00 H ATOM 181 H3' DG A 6 -4.143 11.120 15.347 1.00 10.00 H ATOM 182 HO3' DG A 6 -6.411 9.561 14.625 1.00 10.00 H ATOM 183 H2' DG A 6 -3.802 9.415 17.068 1.00 10.00 H ATOM 184 H2'' DG A 6 -5.411 8.909 16.637 1.00 10.00 H ATOM 185 H1' DG A 6 -4.959 7.236 15.200 1.00 10.00 H ATOM 186 H8 DG A 6 -1.537 8.468 16.861 1.00 10.00 H ATOM 187 H1 DG A 6 -1.781 2.228 15.268 1.00 10.00 H ATOM 188 H21 DG A 6 -3.752 1.818 14.149 1.00 10.00 H ATOM 189 H22 DG A 6 -4.870 3.128 13.833 1.00 10.00 H TER 190 DG A 6 ATOM 191 O5' DC B 7 -2.823 -5.614 16.852 1.00 10.00 O ATOM 192 C5' DC B 7 -4.193 -5.517 17.175 1.00 10.00 C ATOM 193 C4' DC B 7 -4.908 -4.442 16.345 1.00 10.00 C ATOM 194 O4' DC B 7 -4.389 -3.152 16.662 1.00 10.00 O ATOM 195 C3' DC B 7 -4.678 -4.653 14.817 1.00 10.00 C ATOM 196 O3' DC B 7 -5.909 -4.290 14.215 1.00 10.00 O ATOM 197 C2' DC B 7 -3.533 -3.659 14.553 1.00 10.00 C ATOM 198 C1' DC B 7 -3.898 -2.512 15.486 1.00 10.00 C ATOM 199 N1 DC B 7 -2.742 -1.634 15.755 1.00 10.00 N ATOM 200 C2 DC B 7 -2.620 -0.376 15.175 1.00 10.00 C ATOM 201 O2 DC B 7 -3.435 0.034 14.352 1.00 10.00 O ATOM 202 N3 DC B 7 -1.575 0.420 15.551 1.00 10.00 N ATOM 203 C4 DC B 7 -0.656 -0.042 16.411 1.00 10.00 C ATOM 204 N4 DC B 7 0.329 0.771 16.778 1.00 10.00 N ATOM 205 C5 DC B 7 -0.741 -1.356 16.978 1.00 10.00 C ATOM 206 C6 DC B 7 -1.815 -2.094 16.615 1.00 10.00 C ATOM 207 H5' DC B 7 -4.292 -5.280 18.235 1.00 10.00 H ATOM 208 H5'' DC B 7 -4.664 -6.482 16.986 1.00 10.00 H ATOM 209 H4' DC B 7 -5.965 -4.451 16.703 1.00 10.00 H ATOM 210 H3' DC B 7 -4.399 -5.676 14.491 1.00 10.00 H ATOM 211 H2' DC B 7 -2.553 -4.050 14.843 1.00 10.00 H ATOM 212 H2'' DC B 7 -3.437 -3.346 13.522 1.00 10.00 H ATOM 213 H1' DC B 7 -4.675 -1.893 15.106 1.00 10.00 H ATOM 214 H41 DC B 7 0.300 1.740 16.485 1.00 10.00 H ATOM 215 H42 DC B 7 1.022 0.464 17.439 1.00 10.00 H ATOM 216 H5 DC B 7 -0.024 -1.762 17.676 1.00 10.00 H ATOM 217 H6 DC B 7 -2.061 -3.081 16.951 1.00 10.00 H ATOM 218 HO5' DC B 7 -2.428 -6.299 17.396 1.00 10.00 H ATOM 219 P DG B 8 -6.495 -5.051 12.926 1.00 10.00 P ATOM 220 OP1 DG B 8 -7.403 -6.132 13.364 1.00 10.00 O ATOM 221 OP2 DG B 8 -5.385 -5.559 12.093 1.00 10.00 O ATOM 222 O5' DG B 8 -7.329 -3.997 12.065 1.00 10.00 O ATOM 223 C5' DG B 8 -8.525 -3.412 12.550 1.00 10.00 C ATOM 224 C4' DG B 8 -8.777 -2.108 11.783 1.00 10.00 C ATOM 225 O4' DG B 8 -7.591 -1.348 11.930 1.00 10.00 O ATOM 226 C3' DG B 8 -9.008 -2.345 10.273 1.00 10.00 C ATOM 227 O3' DG B 8 -9.971 -1.405 9.824 1.00 10.00 O ATOM 228 C2' DG B 8 -7.631 -2.063 9.664 1.00 10.00 C ATOM 229 C1' DG B 8 -7.004 -1.102 10.670 1.00 10.00 C ATOM 230 N9 DG B 8 -5.534 -1.302 10.777 1.00 10.00 N ATOM 231 C8 DG B 8 -4.824 -2.484 10.845 1.00 10.00 C ATOM 232 N7 DG B 8 -3.562 -2.333 11.129 1.00 10.00 N ATOM 233 C5 DG B 8 -3.411 -0.959 11.252 1.00 10.00 C ATOM 234 C6 DG B 8 -2.263 -0.192 11.603 1.00 10.00 C ATOM 235 O6 DG B 8 -1.176 -0.597 12.010 1.00 10.00 O ATOM 236 N1 DG B 8 -2.474 1.169 11.467 1.00 10.00 N ATOM 237 C2 DG B 8 -3.678 1.735 11.128 1.00 10.00 C ATOM 238 N2 DG B 8 -3.735 3.054 10.992 1.00 10.00 N ATOM 239 N3 DG B 8 -4.788 1.028 10.897 1.00 10.00 N ATOM 240 C4 DG B 8 -4.592 -0.316 10.971 1.00 10.00 C ATOM 241 H5' DG B 8 -8.414 -3.166 13.608 1.00 10.00 H ATOM 242 H5'' DG B 8 -9.361 -4.101 12.431 1.00 10.00 H ATOM 243 H4' DG B 8 -9.579 -1.518 12.258 1.00 10.00 H ATOM 244 H3' DG B 8 -9.364 -3.366 10.064 1.00 10.00 H ATOM 245 H2' DG B 8 -7.047 -2.935 9.433 1.00 10.00 H ATOM 246 H2'' DG B 8 -7.658 -1.634 8.691 1.00 10.00 H ATOM 247 H1' DG B 8 -7.327 -0.086 10.417 1.00 10.00 H ATOM 248 H8 DG B 8 -5.237 -3.472 10.672 1.00 10.00 H ATOM 249 H1 DG B 8 -1.677 1.756 11.708 1.00 10.00 H ATOM 250 H21 DG B 8 -2.899 3.616 11.107 1.00 10.00 H ATOM 251 H22 DG B 8 -4.599 3.475 10.693 1.00 10.00 H ATOM 252 P DT B 9 -10.364 -1.231 8.274 1.00 10.00 P ATOM 253 OP1 DT B 9 -11.715 -0.639 8.165 1.00 10.00 O ATOM 254 OP2 DT B 9 -10.246 -2.526 7.569 1.00 10.00 O ATOM 255 O5' DT B 9 -9.279 -0.189 7.705 1.00 10.00 O ATOM 256 C5' DT B 9 -9.156 1.070 8.334 1.00 10.00 C ATOM 257 C4' DT B 9 -7.911 1.889 7.972 1.00 10.00 C ATOM 258 O4' DT B 9 -6.644 1.403 8.347 1.00 10.00 O ATOM 259 C3' DT B 9 -7.792 2.359 6.505 1.00 10.00 C ATOM 260 O3' DT B 9 -7.735 3.775 6.490 1.00 10.00 O ATOM 261 C2' DT B 9 -6.463 1.738 6.052 1.00 10.00 C ATOM 262 C1' DT B 9 -5.700 1.876 7.390 1.00 10.00 C ATOM 263 N1 DT B 9 -4.512 1.010 7.473 1.00 10.00 N ATOM 264 C2 DT B 9 -3.254 1.556 7.702 1.00 10.00 C ATOM 265 O2 DT B 9 -3.015 2.759 7.658 1.00 10.00 O ATOM 266 N3 DT B 9 -2.250 0.655 7.989 1.00 10.00 N ATOM 267 C4 DT B 9 -2.379 -0.719 8.030 1.00 10.00 C ATOM 268 O4 DT B 9 -1.416 -1.408 8.348 1.00 10.00 O ATOM 269 C5 DT B 9 -3.715 -1.210 7.734 1.00 10.00 C ATOM 270 C7 DT B 9 -3.979 -2.703 7.684 1.00 10.00 C ATOM 271 C6 DT B 9 -4.720 -0.334 7.490 1.00 10.00 C ATOM 272 H5' DT B 9 -9.143 0.941 9.417 1.00 10.00 H ATOM 273 H5'' DT B 9 -10.037 1.663 8.085 1.00 10.00 H ATOM 274 H4' DT B 9 -7.985 2.675 8.717 1.00 10.00 H ATOM 275 H3' DT B 9 -8.629 1.992 5.909 1.00 10.00 H ATOM 276 H2' DT B 9 -6.651 0.691 5.713 1.00 10.00 H ATOM 277 H2'' DT B 9 -5.960 2.254 5.224 1.00 10.00 H ATOM 278 H1' DT B 9 -5.443 2.930 7.623 1.00 10.00 H ATOM 279 H3 DT B 9 -1.358 1.055 8.273 1.00 10.00 H ATOM 280 H71 DT B 9 -5.031 -2.924 7.864 1.00 10.00 H ATOM 281 H72 DT B 9 -3.694 -3.081 6.702 1.00 10.00 H ATOM 282 H73 DT B 9 -3.374 -3.206 8.440 1.00 10.00 H ATOM 283 H6 DT B 9 -5.756 -0.607 7.363 1.00 10.00 H ATOM 284 P DA B 10 -7.859 4.629 5.137 1.00 10.00 P ATOM 285 OP1 DA B 10 -8.962 5.606 5.265 1.00 10.00 O ATOM 286 OP2 DA B 10 -8.041 3.722 3.982 1.00 10.00 O ATOM 287 O5' DA B 10 -6.479 5.420 4.962 1.00 10.00 O ATOM 288 C5' DA B 10 -6.169 6.519 5.801 1.00 10.00 C ATOM 289 C4' DA B 10 -4.725 6.987 5.584 1.00 10.00 C ATOM 290 O4' DA B 10 -3.871 5.883 5.870 1.00 10.00 O ATOM 291 C3' DA B 10 -4.466 7.437 4.130 1.00 10.00 C ATOM 292 O3' DA B 10 -3.946 8.755 4.028 1.00 10.00 O ATOM 293 C2' DA B 10 -3.461 6.403 3.608 1.00 10.00 C ATOM 294 C1' DA B 10 -2.893 5.729 4.859 1.00 10.00 C ATOM 295 N9 DA B 10 -2.572 4.306 4.609 1.00 10.00 N ATOM 296 C8 DA B 10 -3.311 3.381 3.923 1.00 10.00 C ATOM 297 N7 DA B 10 -2.865 2.158 3.991 1.00 10.00 N ATOM 298 C5 DA B 10 -1.695 2.301 4.725 1.00 10.00 C ATOM 299 C6 DA B 10 -0.721 1.386 5.153 1.00 10.00 C ATOM 300 N6 DA B 10 -0.876 0.075 4.986 1.00 10.00 N ATOM 301 N1 DA B 10 0.389 1.845 5.751 1.00 10.00 N ATOM 302 C2 DA B 10 0.518 3.159 5.920 1.00 10.00 C ATOM 303 N3 DA B 10 -0.346 4.120 5.618 1.00 10.00 N ATOM 304 C4 DA B 10 -1.461 3.615 5.034 1.00 10.00 C ATOM 305 H5' DA B 10 -6.279 6.221 6.845 1.00 10.00 H ATOM 306 H5'' DA B 10 -6.852 7.345 5.597 1.00 10.00 H ATOM 307 H4' DA B 10 -4.538 7.806 6.300 1.00 10.00 H ATOM 308 H3' DA B 10 -5.406 7.429 3.576 1.00 10.00 H ATOM 309 H2' DA B 10 -3.816 5.748 2.815 1.00 10.00 H ATOM 310 H2'' DA B 10 -2.652 6.894 3.131 1.00 10.00 H ATOM 311 H1' DA B 10 -1.998 6.242 5.207 1.00 10.00 H ATOM 312 H8 DA B 10 -4.177 3.669 3.360 1.00 10.00 H ATOM 313 H61 DA B 10 -0.204 -0.583 5.360 1.00 10.00 H ATOM 314 H62 DA B 10 -1.679 -0.245 4.468 1.00 10.00 H ATOM 315 H2 DA B 10 1.430 3.500 6.378 1.00 10.00 H ATOM 316 P DC B 11 -3.702 9.452 2.589 1.00 10.00 P ATOM 317 OP1 DC B 11 -3.630 10.920 2.763 1.00 10.00 O ATOM 318 OP2 DC B 11 -4.775 9.049 1.654 1.00 10.00 O ATOM 319 O5' DC B 11 -2.285 8.926 2.038 1.00 10.00 O ATOM 320 C5' DC B 11 -1.096 9.368 2.659 1.00 10.00 C ATOM 321 C4' DC B 11 0.036 8.328 2.741 1.00 10.00 C ATOM 322 O4' DC B 11 -0.168 7.037 3.238 1.00 10.00 O ATOM 323 C3' DC B 11 1.237 8.379 1.789 1.00 10.00 C ATOM 324 O3' DC B 11 2.250 9.248 2.268 1.00 10.00 O ATOM 325 C2' DC B 11 1.662 6.893 1.697 1.00 10.00 C ATOM 326 C1' DC B 11 0.997 6.283 2.940 1.00 10.00 C ATOM 327 N1 DC B 11 0.546 4.933 2.579 1.00 10.00 N ATOM 328 C2 DC B 11 1.330 3.831 2.877 1.00 10.00 C ATOM 329 O2 DC B 11 2.372 3.936 3.518 1.00 10.00 O ATOM 330 N3 DC B 11 0.924 2.609 2.440 1.00 10.00 N ATOM 331 C4 DC B 11 -0.155 2.497 1.659 1.00 10.00 C ATOM 332 N4 DC B 11 -0.549 1.276 1.328 1.00 10.00 N ATOM 333 C5 DC B 11 -0.907 3.641 1.238 1.00 10.00 C ATOM 334 C6 DC B 11 -0.529 4.837 1.749 1.00 10.00 C ATOM 335 H5' DC B 11 -1.334 9.657 3.686 1.00 10.00 H ATOM 336 H5'' DC B 11 -0.736 10.261 2.146 1.00 10.00 H ATOM 337 H4' DC B 11 0.417 8.622 3.678 1.00 10.00 H ATOM 338 H3' DC B 11 0.785 8.762 0.869 1.00 10.00 H ATOM 339 H2' DC B 11 1.219 6.505 0.780 1.00 10.00 H ATOM 340 H2'' DC B 11 2.737 6.597 1.714 1.00 10.00 H ATOM 341 H1' DC B 11 1.673 6.312 3.797 1.00 10.00 H ATOM 342 H41 DC B 11 -0.033 0.493 1.712 1.00 10.00 H ATOM 343 H42 DC B 11 -1.364 1.132 0.756 1.00 10.00 H ATOM 344 H5 DC B 11 -1.685 3.588 0.495 1.00 10.00 H ATOM 345 H6 DC B 11 -1.009 5.794 1.538 1.00 10.00 H ATOM 346 P DG B 12 3.114 10.178 1.275 1.00 10.00 P ATOM 347 OP1 DG B 12 3.520 11.398 2.006 1.00 10.00 O ATOM 348 OP2 DG B 12 2.319 10.496 0.069 1.00 10.00 O ATOM 349 O5' DG B 12 4.434 9.390 0.835 1.00 10.00 O ATOM 350 C5' DG B 12 5.514 9.273 1.740 1.00 10.00 C ATOM 351 C4' DG B 12 6.534 8.235 1.268 1.00 10.00 C ATOM 352 O4' DG B 12 5.841 7.045 0.969 1.00 10.00 O ATOM 353 C3' DG B 12 7.319 8.633 0.001 1.00 10.00 C ATOM 354 O3' DG B 12 8.701 8.440 0.219 1.00 10.00 O ATOM 355 C2' DG B 12 6.842 7.712 -1.141 1.00 10.00 C ATOM 356 C1' DG B 12 6.121 6.596 -0.345 1.00 10.00 C ATOM 357 N9 DG B 12 4.808 6.174 -0.899 1.00 10.00 N ATOM 358 C8 DG B 12 3.810 6.908 -1.511 1.00 10.00 C ATOM 359 N7 DG B 12 2.706 6.235 -1.699 1.00 10.00 N ATOM 360 C5 DG B 12 2.968 4.981 -1.154 1.00 10.00 C ATOM 361 C6 DG B 12 2.139 3.823 -1.024 1.00 10.00 C ATOM 362 O6 DG B 12 0.965 3.681 -1.362 1.00 10.00 O ATOM 363 N1 DG B 12 2.796 2.752 -0.436 1.00 10.00 N ATOM 364 C2 DG B 12 4.074 2.813 0.061 1.00 10.00 C ATOM 365 N2 DG B 12 4.587 1.726 0.625 1.00 10.00 N ATOM 366 N3 DG B 12 4.849 3.895 -0.032 1.00 10.00 N ATOM 367 C4 DG B 12 4.246 4.941 -0.658 1.00 10.00 C ATOM 368 H5' DG B 12 5.129 8.940 2.706 1.00 10.00 H ATOM 369 H5'' DG B 12 6.002 10.239 1.874 1.00 10.00 H ATOM 370 H4' DG B 12 7.191 8.045 2.136 1.00 10.00 H ATOM 371 H3' DG B 12 7.133 9.686 -0.230 1.00 10.00 H ATOM 372 HO3' DG B 12 8.978 9.007 0.943 1.00 10.00 H ATOM 373 H2' DG B 12 6.332 8.204 -2.004 1.00 10.00 H ATOM 374 H2'' DG B 12 7.721 7.241 -1.587 1.00 10.00 H ATOM 375 H1' DG B 12 6.790 5.730 -0.203 1.00 10.00 H ATOM 376 H8 DG B 12 3.887 7.947 -1.829 1.00 10.00 H ATOM 377 H1 DG B 12 2.303 1.858 -0.434 1.00 10.00 H ATOM 378 H21 DG B 12 4.068 0.858 0.660 1.00 10.00 H ATOM 379 H22 DG B 12 5.513 1.778 1.019 1.00 10.00 H TER 380 DG B 12 MASTER 104 0 0 0 0 0 0 6 378 2 0 2 END