HEADER DNA 25-JUL-89 XXXX TITLE CRYSTAL LATTICE PACKING IS IMPORTANT IN DETERMINING THE TITLE 2 BEND OF A DNA DODECAMER CONTAINING AN ADENINE TRACT COMPND 5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3' KEYWDS B-DNA, DOUBLE HELIX EXPDTA X-RAY DIFFRACTION AUTHOR A.D.DIGABRIELE, M.R.SANDERSON, T.A.STEITZ JRNL AUTH A.D.DIGABRIELE, M.R.SANDERSON, T.A.STEITZ JRNL TITL CRYSTAL LATTICE PACKING IS IMPORTANT IN JRNL TITL 2 DETERMINING THE BEND OF A DNA DODECAMER CONTAINING JRNL TITL 3 AN ADENINE TRACT. JRNL REF PROC.NATL.ACAD.SCI.USA V. 86 1816 1989 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 REMARK 1 SEQRES 1 A 12 DC DG DC DA DA DA DA DA DT DG DC DG SEQRES 1 B 12 DC DG DC DA DT DT DT DT DT DG DC DG SEQRES 1 C 12 DC DG DC DA DA DA DA DA DT DG DC DG SEQRES 1 D 12 DC DG DC DA DT DT DT DT DT DG DC DG HETNAM MG MAGNESIUM ION FORMUL 5 MG 2(MG 2+) FORMUL 7 HOH *21(H2 O) CRYST1 24.540 40.320 65.860 90.00 90.00 90.00 P 21 21 21 8 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 0.040750 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024802 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015184 0.00000 ATOM 1 N1 DC A 1 17.593 29.686 24.160 0.56 6.87 N ATOM 2 C2 DC A 1 17.867 28.484 24.753 0.56 6.87 C ATOM 3 O2 DC A 1 18.988 27.985 24.831 0.56 6.87 O ATOM 4 N3 DC A 1 16.827 27.714 25.164 0.56 6.87 N ATOM 5 C4 DC A 1 15.547 28.163 24.979 0.56 6.87 C ATOM 6 N4 DC A 1 14.632 27.335 25.413 0.56 6.87 N ATOM 7 C5 DC A 1 15.285 29.347 24.364 0.56 6.87 C ATOM 8 C6 DC A 1 16.355 30.090 23.951 0.56 6.87 C ATOM 9 O5' DC A 1 18.600 33.733 25.145 0.56 49.97 O ATOM 10 C5' DC A 1 19.593 33.814 24.036 0.56 8.36 C ATOM 11 C4' DC A 1 20.080 32.414 23.669 0.56 8.36 C ATOM 12 O4' DC A 1 19.460 31.393 24.443 0.56 8.36 O ATOM 13 C3' DC A 1 19.719 31.980 22.278 0.56 8.36 C ATOM 14 O3' DC A 1 20.721 31.023 22.032 0.56 8.36 O ATOM 15 C2' DC A 1 18.457 31.211 22.443 0.56 8.36 C ATOM 16 C1' DC A 1 18.797 30.430 23.671 0.56 8.36 C ATOM 17 P DG A 2 22.094 31.426 21.241 0.56 13.72 P ATOM 18 N9 DG A 2 19.881 26.660 21.540 0.56 2.00 N ATOM 19 C8 DG A 2 19.098 27.716 21.131 0.56 2.00 C ATOM 20 N7 DG A 2 17.805 27.567 21.325 0.56 2.00 N ATOM 21 C5 DG A 2 17.779 26.228 21.892 0.56 2.00 C ATOM 22 C6 DG A 2 16.698 25.490 22.381 0.56 2.00 C ATOM 23 O6 DG A 2 15.507 25.825 22.350 0.56 2.00 O ATOM 24 N1 DG A 2 16.985 24.294 22.919 0.56 2.00 N ATOM 25 C2 DG A 2 18.263 23.865 23.017 0.56 2.00 C ATOM 26 N2 DG A 2 18.344 22.658 23.622 0.56 2.00 N ATOM 27 N3 DG A 2 19.337 24.540 22.622 0.56 2.00 N ATOM 28 C4 DG A 2 19.009 25.727 22.116 0.56 2.00 C ATOM 29 OP1 DG A 2 22.971 31.875 22.316 0.56 13.72 O ATOM 30 OP2 DG A 2 21.673 31.306 19.867 0.56 13.72 O ATOM 31 O5' DG A 2 22.535 29.687 21.024 0.56 13.72 O ATOM 32 C5' DG A 2 23.302 29.217 22.127 0.56 28.17 C ATOM 33 C4' DG A 2 23.267 27.699 22.162 0.56 28.17 C ATOM 34 O4' DG A 2 21.985 27.196 22.588 0.56 28.17 O ATOM 35 C3' DG A 2 23.439 27.213 20.720 0.56 28.17 C ATOM 36 O3' DG A 2 24.153 25.949 20.757 0.56 28.17 O ATOM 37 C2' DG A 2 21.979 27.101 20.305 0.56 28.17 C ATOM 38 C1' DG A 2 21.326 26.514 21.482 0.56 28.17 C ATOM 39 P DC A 3 25.015 25.526 19.390 0.56 28.50 P ATOM 40 N1 DC A 3 19.771 23.185 18.835 0.56 2.00 N ATOM 41 C2 DC A 3 18.538 22.924 19.360 0.56 2.00 C ATOM 42 O2 DC A 3 18.229 21.908 19.981 0.56 2.00 O ATOM 43 N3 DC A 3 17.542 23.808 19.064 0.56 2.00 N ATOM 44 C4 DC A 3 17.773 25.005 18.521 0.56 2.00 C ATOM 45 N4 DC A 3 16.774 25.862 18.389 0.56 2.00 N ATOM 46 C5 DC A 3 19.054 25.283 17.969 0.56 2.00 C ATOM 47 C6 DC A 3 19.993 24.357 18.145 0.56 2.00 C ATOM 48 OP1 DC A 3 26.230 26.423 19.751 0.56 28.50 O ATOM 49 OP2 DC A 3 24.090 26.141 18.340 0.56 28.50 O ATOM 50 O5' DC A 3 24.906 24.117 19.586 0.56 28.50 O ATOM 51 C5' DC A 3 24.005 23.377 20.448 0.56 2.00 C ATOM 52 C4' DC A 3 23.036 22.429 19.873 0.56 2.00 C ATOM 53 O4' DC A 3 21.666 22.695 20.033 0.56 2.00 O ATOM 54 C3' DC A 3 23.151 22.021 18.415 0.56 2.00 C ATOM 55 O3' DC A 3 23.242 20.606 18.214 0.56 2.00 O ATOM 56 C2' DC A 3 21.778 22.433 17.870 0.56 2.00 C ATOM 57 C1' DC A 3 20.840 22.237 18.992 0.56 2.00 C ATOM 58 P DA A 4 24.146 19.956 17.012 0.56 3.62 P ATOM 59 N9 DA A 4 19.387 19.202 16.868 0.56 2.00 N ATOM 60 C8 DA A 4 20.180 20.015 16.081 0.56 2.00 C ATOM 61 N7 DA A 4 19.578 21.137 15.741 0.56 2.00 N ATOM 62 C5 DA A 4 18.292 21.025 16.335 0.56 2.00 C ATOM 63 C6 DA A 4 17.215 21.924 16.327 0.56 2.00 C ATOM 64 N6 DA A 4 17.207 23.107 15.660 0.56 2.00 N ATOM 65 N1 DA A 4 16.121 21.395 16.909 0.56 2.00 N ATOM 66 C2 DA A 4 16.100 20.184 17.533 0.56 2.00 C ATOM 67 N3 DA A 4 17.072 19.267 17.591 0.56 2.00 N ATOM 68 C4 DA A 4 18.165 19.827 16.981 0.56 2.00 C ATOM 69 OP1 DA A 4 25.282 19.327 17.785 0.56 3.62 O ATOM 70 OP2 DA A 4 23.758 20.817 15.830 0.56 3.62 O ATOM 71 O5' DA A 4 23.003 18.531 17.013 0.56 3.62 O ATOM 72 C5' DA A 4 23.020 17.914 18.321 0.56 10.83 C ATOM 73 C4' DA A 4 21.717 17.125 18.486 0.56 10.83 C ATOM 74 O4' DA A 4 20.555 17.974 18.529 0.56 10.83 O ATOM 75 C3' DA A 4 21.480 16.308 17.216 0.56 10.83 C ATOM 76 O3' DA A 4 20.677 15.165 17.629 0.56 10.83 O ATOM 77 C2' DA A 4 20.674 17.238 16.305 0.56 10.83 C ATOM 78 C1' DA A 4 19.749 17.875 17.347 0.56 10.83 C ATOM 79 P DA A 5 20.192 14.077 16.539 0.56 11.78 P ATOM 80 N9 DA A 5 16.517 17.362 14.350 0.56 11.20 N ATOM 81 C8 DA A 5 17.697 17.707 13.763 0.56 11.20 C ATOM 82 N7 DA A 5 17.705 18.944 13.228 0.56 11.20 N ATOM 83 C5 DA A 5 16.430 19.408 13.576 0.56 11.20 C ATOM 84 C6 DA A 5 15.890 20.676 13.400 0.56 11.20 C ATOM 85 N6 DA A 5 16.486 21.712 12.786 0.56 11.20 N ATOM 86 N1 DA A 5 14.567 20.841 13.788 0.56 11.20 N ATOM 87 C2 DA A 5 14.008 19.767 14.388 0.56 11.20 C ATOM 88 N3 DA A 5 14.445 18.546 14.725 0.56 11.20 N ATOM 89 C4 DA A 5 15.721 18.494 14.272 0.56 11.20 C ATOM 90 OP1 DA A 5 21.279 13.109 16.499 0.56 11.78 O ATOM 91 OP2 DA A 5 19.914 14.760 15.326 0.56 11.78 O ATOM 92 O5' DA A 5 18.848 13.648 17.337 0.56 11.78 O ATOM 93 C5' DA A 5 17.929 14.759 17.683 0.56 41.00 C ATOM 94 C4' DA A 5 16.641 14.716 16.837 0.56 41.00 C ATOM 95 O4' DA A 5 16.243 16.003 16.357 0.56 41.00 O ATOM 96 C3' DA A 5 16.684 13.939 15.530 0.56 41.00 C ATOM 97 O3' DA A 5 15.341 13.496 15.252 0.56 41.00 O ATOM 98 C2' DA A 5 16.991 14.987 14.487 0.56 41.00 C ATOM 99 C1' DA A 5 16.098 16.114 14.970 0.56 41.00 C ATOM 100 P DA A 6 14.839 12.456 14.139 0.56 28.05 P ATOM 101 N9 DA A 6 13.385 16.634 11.830 0.56 2.00 N ATOM 102 C8 DA A 6 14.586 16.070 11.509 0.56 2.00 C ATOM 103 N7 DA A 6 15.449 16.877 10.881 0.56 2.00 N ATOM 104 C5 DA A 6 14.751 18.092 10.887 0.56 2.00 C ATOM 105 C6 DA A 6 15.116 19.299 10.339 0.56 2.00 C ATOM 106 N6 DA A 6 16.281 19.631 9.775 0.56 2.00 N ATOM 107 N1 DA A 6 14.131 20.280 10.432 0.56 2.00 N ATOM 108 C2 DA A 6 12.951 19.934 11.015 0.56 2.00 C ATOM 109 N3 DA A 6 12.514 18.798 11.522 0.56 2.00 N ATOM 110 C4 DA A 6 13.496 17.933 11.430 0.56 2.00 C ATOM 111 OP1 DA A 6 14.829 11.133 15.085 0.56 28.05 O ATOM 112 OP2 DA A 6 15.277 12.968 12.860 0.56 28.05 O ATOM 113 O5' DA A 6 13.211 12.668 14.356 0.56 28.05 O ATOM 114 C5' DA A 6 12.779 13.824 15.109 0.56 6.25 C ATOM 115 C4' DA A 6 11.788 14.710 14.407 0.56 6.25 C ATOM 116 O4' DA A 6 12.374 15.888 13.832 0.56 6.25 O ATOM 117 C3' DA A 6 11.127 14.104 13.183 0.56 6.25 C ATOM 118 O3' DA A 6 9.827 14.689 13.102 0.56 6.25 O ATOM 119 C2' DA A 6 11.955 14.614 12.022 0.56 6.25 C ATOM 120 C1' DA A 6 12.211 16.047 12.463 0.56 6.25 C ATOM 121 P DA A 7 8.759 14.155 12.039 0.56 2.00 P ATOM 122 N9 DA A 7 10.581 17.984 8.562 0.56 8.89 N ATOM 123 C8 DA A 7 11.282 16.868 8.437 0.56 8.89 C ATOM 124 N7 DA A 7 12.557 16.978 8.036 0.56 8.89 N ATOM 125 C5 DA A 7 12.618 18.362 7.826 0.56 8.89 C ATOM 126 C6 DA A 7 13.689 19.146 7.413 0.56 8.89 C ATOM 127 N6 DA A 7 14.868 18.623 7.089 0.56 8.89 N ATOM 128 N1 DA A 7 13.449 20.467 7.139 0.56 8.89 N ATOM 129 C2 DA A 7 12.191 20.983 7.445 0.56 8.89 C ATOM 130 N3 DA A 7 11.099 20.309 7.905 0.56 8.89 N ATOM 131 C4 DA A 7 11.427 18.977 8.073 0.56 8.89 C ATOM 132 OP1 DA A 7 7.500 13.692 12.572 0.56 2.00 O ATOM 133 OP2 DA A 7 9.301 13.254 10.987 0.56 2.00 O ATOM 134 O5' DA A 7 8.538 15.457 11.096 0.56 2.00 O ATOM 135 C5' DA A 7 7.784 16.580 11.663 0.56 7.82 C ATOM 136 C4' DA A 7 7.707 17.755 10.722 0.56 7.82 C ATOM 137 O4' DA A 7 8.990 18.261 10.304 0.56 7.82 O ATOM 138 C3' DA A 7 7.023 17.426 9.410 0.56 7.82 C ATOM 139 O3' DA A 7 6.223 18.540 9.092 0.56 7.82 O ATOM 140 C2' DA A 7 8.189 17.209 8.424 0.56 7.82 C ATOM 141 C1' DA A 7 9.173 18.267 8.902 0.56 7.82 C ATOM 142 P DA A 8 4.771 18.304 8.312 0.56 18.26 P ATOM 143 N9 DA A 8 9.051 19.682 4.831 0.56 6.39 N ATOM 144 C8 DA A 8 8.931 18.317 4.995 0.56 6.39 C ATOM 145 N7 DA A 8 10.082 17.709 4.789 0.56 6.39 N ATOM 146 C5 DA A 8 10.987 18.748 4.426 0.56 6.39 C ATOM 147 C6 DA A 8 12.334 18.729 4.070 0.56 6.39 C ATOM 148 N6 DA A 8 13.153 17.689 4.127 0.56 6.39 N ATOM 149 N1 DA A 8 12.977 19.910 3.761 0.56 6.39 N ATOM 150 C2 DA A 8 12.244 21.124 3.761 0.56 6.39 C ATOM 151 N3 DA A 8 10.915 21.143 4.118 0.56 6.39 N ATOM 152 C4 DA A 8 10.364 19.961 4.443 0.56 6.39 C ATOM 153 OP1 DA A 8 3.829 18.918 9.231 0.56 18.26 O ATOM 154 OP2 DA A 8 4.967 17.034 7.642 0.56 18.26 O ATOM 155 O5' DA A 8 5.196 19.317 7.036 0.56 18.26 O ATOM 156 C5' DA A 8 5.713 20.586 7.588 0.56 2.00 C ATOM 157 C4' DA A 8 6.411 21.391 6.494 0.56 2.00 C ATOM 158 O4' DA A 8 7.779 21.049 6.245 0.56 2.00 O ATOM 159 C3' DA A 8 5.791 21.355 5.080 0.56 2.00 C ATOM 160 O3' DA A 8 5.785 22.642 4.446 0.56 2.00 O ATOM 161 C2' DA A 8 6.683 20.381 4.305 0.56 2.00 C ATOM 162 C1' DA A 8 8.042 20.741 4.896 0.56 2.00 C ATOM 163 P DT A 9 5.140 23.087 3.039 0.56 15.43 P ATOM 164 N1 DT A 9 9.990 21.789 0.780 0.56 7.20 N ATOM 165 C2 DT A 9 11.312 21.460 0.547 0.56 7.20 C ATOM 166 O2 DT A 9 12.114 22.358 0.308 0.56 7.20 O ATOM 167 N3 DT A 9 11.697 20.157 0.614 0.56 7.20 N ATOM 168 C4 DT A 9 10.779 19.168 0.762 0.56 7.20 C ATOM 169 O4 DT A 9 11.160 17.963 0.834 0.56 7.20 O ATOM 170 C5 DT A 9 9.400 19.518 0.942 0.56 7.20 C ATOM 171 C6 DT A 9 9.063 20.798 1.002 0.56 7.20 C ATOM 172 OP1 DT A 9 3.734 23.400 2.925 0.56 15.43 O ATOM 173 OP2 DT A 9 4.796 21.623 2.254 0.56 15.43 O ATOM 174 O5' DT A 9 6.492 23.492 2.206 0.56 15.43 O ATOM 175 C5' DT A 9 7.394 24.457 2.943 0.56 2.00 C ATOM 176 C4' DT A 9 8.424 24.875 1.884 0.56 2.00 C ATOM 177 O4' DT A 9 9.464 23.899 1.848 0.56 2.00 O ATOM 178 C3' DT A 9 7.943 24.800 0.490 0.56 2.00 C ATOM 179 O3' DT A 9 8.763 25.672 -0.279 0.56 2.00 O ATOM 180 C2' DT A 9 8.303 23.372 -0.034 0.56 2.00 C ATOM 181 C1' DT A 9 9.653 23.206 0.616 0.56 2.00 C ATOM 182 C7 DT A 9 8.447 18.369 1.187 0.56 7.20 C ATOM 183 P DG A 10 7.900 26.760 -1.147 0.56 13.27 P ATOM 184 N9 DG A 10 10.549 22.342 -3.459 0.56 2.07 N ATOM 185 C8 DG A 10 9.260 21.999 -3.236 0.56 2.07 C ATOM 186 N7 DG A 10 9.052 20.731 -2.909 0.56 2.07 N ATOM 187 C5 DG A 10 10.364 20.217 -2.881 0.56 2.07 C ATOM 188 C6 DG A 10 10.810 18.894 -2.721 0.56 2.07 C ATOM 189 O6 DG A 10 10.004 17.939 -2.425 0.56 2.07 O ATOM 190 N1 DG A 10 12.190 18.825 -2.812 0.56 2.07 N ATOM 191 C2 DG A 10 12.994 19.849 -3.039 0.56 2.07 C ATOM 192 N2 DG A 10 14.318 19.664 -3.107 0.56 2.07 N ATOM 193 N3 DG A 10 12.617 21.104 -3.296 0.56 2.07 N ATOM 194 C4 DG A 10 11.269 21.181 -3.218 0.56 2.07 C ATOM 195 OP1 DG A 10 8.098 28.004 -0.553 0.56 13.27 O ATOM 196 OP2 DG A 10 6.877 26.015 -1.946 0.56 13.27 O ATOM 197 O5' DG A 10 8.851 26.158 -2.624 0.56 13.27 O ATOM 198 C5' DG A 10 10.170 26.622 -2.245 0.56 23.16 C ATOM 199 C4' DG A 10 11.202 25.864 -3.108 0.56 23.16 C ATOM 200 O4' DG A 10 11.351 24.512 -2.693 0.56 23.16 O ATOM 201 C3' DG A 10 10.958 25.745 -4.623 0.56 23.16 C ATOM 202 O3' DG A 10 12.280 25.763 -5.235 0.56 23.16 O ATOM 203 C2' DG A 10 10.384 24.357 -4.858 0.56 23.16 C ATOM 204 C1' DG A 10 11.195 23.617 -3.809 0.56 23.16 C ATOM 205 P DC A 11 12.635 27.149 -6.083 0.56 26.20 P ATOM 206 N1 DC A 11 14.592 22.616 -6.684 0.56 17.28 N ATOM 207 C2 DC A 11 14.689 21.261 -6.443 0.56 17.28 C ATOM 208 O2 DC A 11 15.780 20.686 -6.232 0.56 17.28 O ATOM 209 N3 DC A 11 13.577 20.466 -6.504 0.56 17.28 N ATOM 210 C4 DC A 11 12.403 21.034 -6.810 0.56 17.28 C ATOM 211 N4 DC A 11 11.316 20.289 -6.829 0.56 17.28 N ATOM 212 C5 DC A 11 12.301 22.406 -7.071 0.56 17.28 C ATOM 213 C6 DC A 11 13.411 23.157 -7.012 0.56 17.28 C ATOM 214 OP1 DC A 11 12.654 28.077 -4.808 0.56 26.20 O ATOM 215 OP2 DC A 11 11.663 27.090 -7.220 0.56 26.20 O ATOM 216 O5' DC A 11 14.215 26.660 -6.400 0.56 26.20 O ATOM 217 C5' DC A 11 15.099 26.601 -5.220 0.56 30.19 C ATOM 218 C4' DC A 11 16.220 25.616 -5.580 0.56 30.19 C ATOM 219 O4' DC A 11 15.707 24.269 -5.433 0.56 30.19 O ATOM 220 C3' DC A 11 16.738 25.580 -7.011 0.56 30.19 C ATOM 221 O3' DC A 11 18.113 25.251 -6.875 0.56 30.19 O ATOM 222 C2' DC A 11 15.938 24.489 -7.674 0.56 30.19 C ATOM 223 C1' DC A 11 15.806 23.448 -6.588 0.56 30.19 C ATOM 224 P DG A 12 19.056 25.853 -8.024 0.56 17.14 P ATOM 225 N9 DG A 12 16.024 21.312 -10.684 0.56 21.64 N ATOM 226 C8 DG A 12 15.132 22.300 -10.935 0.56 21.64 C ATOM 227 N7 DG A 12 13.844 22.024 -10.900 0.56 21.64 N ATOM 228 C5 DG A 12 13.935 20.675 -10.504 0.56 21.64 C ATOM 229 C6 DG A 12 12.876 19.798 -10.135 0.56 21.64 C ATOM 230 O6 DG A 12 11.710 20.102 -10.158 0.56 21.64 O ATOM 231 N1 DG A 12 13.282 18.544 -9.912 0.56 21.64 N ATOM 232 C2 DG A 12 14.567 18.142 -9.895 0.56 21.64 C ATOM 233 N2 DG A 12 14.606 16.878 -9.520 0.56 21.64 N ATOM 234 N3 DG A 12 15.625 18.927 -10.156 0.56 21.64 N ATOM 235 C4 DG A 12 15.233 20.199 -10.420 0.56 21.64 C ATOM 236 OP1 DG A 12 20.558 25.667 -7.489 0.56 17.14 O ATOM 237 OP2 DG A 12 18.391 26.614 -8.950 0.56 17.14 O ATOM 238 O5' DG A 12 18.862 24.401 -9.064 0.56 17.14 O ATOM 239 C5' DG A 12 19.367 23.222 -8.446 0.56 7.20 C ATOM 240 C4' DG A 12 19.287 22.146 -9.509 0.56 7.20 C ATOM 241 O4' DG A 12 18.062 21.403 -9.531 0.56 7.20 O ATOM 242 C3' DG A 12 19.454 22.652 -10.972 0.56 7.20 C ATOM 243 O3' DG A 12 20.469 21.905 -11.641 0.56 7.20 O ATOM 244 C2' DG A 12 18.024 22.528 -11.545 0.56 7.20 C ATOM 245 C1' DG A 12 17.472 21.330 -10.840 0.56 7.20 C TER 246 DG A 12 ATOM 247 N1 DC B 13 10.505 14.436 -8.940 0.56 21.62 N ATOM 248 C2 DC B 13 11.591 15.314 -8.978 0.56 21.62 C ATOM 249 O2 DC B 13 12.707 14.906 -8.989 0.56 21.62 O ATOM 250 N3 DC B 13 11.382 16.657 -9.023 0.56 21.62 N ATOM 251 C4 DC B 13 10.068 17.090 -9.047 0.56 21.62 C ATOM 252 N4 DC B 13 9.910 18.405 -9.068 0.56 21.62 N ATOM 253 C5 DC B 13 8.946 16.220 -8.948 0.56 21.62 C ATOM 254 C6 DC B 13 9.233 14.908 -8.909 0.56 21.62 C ATOM 255 O5' DC B 13 7.738 10.673 -9.957 0.56 60.00 O ATOM 256 C5' DC B 13 9.008 10.793 -10.644 0.56 2.45 C ATOM 257 C4' DC B 13 10.203 10.971 -9.681 0.56 2.45 C ATOM 258 O4' DC B 13 10.844 12.253 -9.946 0.56 2.45 O ATOM 259 C3' DC B 13 9.871 10.976 -8.222 0.56 2.45 C ATOM 260 O3' DC B 13 11.061 10.572 -7.499 0.56 2.45 O ATOM 261 C2' DC B 13 9.647 12.452 -7.953 0.56 2.45 C ATOM 262 C1' DC B 13 10.786 13.031 -8.762 0.56 2.45 C ATOM 263 P DG B 14 10.949 9.472 -6.303 0.56 11.10 P ATOM 264 N9 DG B 14 14.012 13.693 -5.931 0.56 8.42 N ATOM 265 C8 DG B 14 12.681 13.398 -5.698 0.56 8.42 C ATOM 266 N7 DG B 14 11.920 14.485 -5.640 0.56 8.42 N ATOM 267 C5 DG B 14 12.834 15.547 -5.935 0.56 8.42 C ATOM 268 C6 DG B 14 12.669 16.942 -5.918 0.56 8.42 C ATOM 269 O6 DG B 14 11.631 17.654 -5.809 0.56 8.42 O ATOM 270 N1 DG B 14 13.828 17.640 -6.099 0.56 8.42 N ATOM 271 C2 DG B 14 15.034 17.037 -6.247 0.56 8.42 C ATOM 272 N2 DG B 14 16.075 17.842 -6.464 0.56 8.42 N ATOM 273 N3 DG B 14 15.248 15.735 -6.258 0.56 8.42 N ATOM 274 C4 DG B 14 14.100 15.057 -6.075 0.56 8.42 C ATOM 275 OP1 DG B 14 11.151 8.234 -7.023 0.56 11.10 O ATOM 276 OP2 DG B 14 10.173 10.113 -5.333 0.56 11.10 O ATOM 277 O5' DG B 14 12.638 9.682 -5.914 0.56 11.10 O ATOM 278 C5' DG B 14 13.556 9.718 -7.091 0.56 4.05 C ATOM 279 C4' DG B 14 14.856 10.437 -6.828 0.56 4.05 C ATOM 280 O4' DG B 14 14.766 11.844 -7.159 0.56 4.05 O ATOM 281 C3' DG B 14 15.421 10.452 -5.399 0.56 4.05 C ATOM 282 O3' DG B 14 16.869 10.472 -5.410 0.56 4.05 O ATOM 283 C2' DG B 14 14.944 11.772 -4.816 0.56 4.05 C ATOM 284 C1' DG B 14 15.084 12.671 -6.042 0.56 4.05 C ATOM 285 P DC B 15 17.576 9.965 -4.023 0.56 21.42 P ATOM 286 N1 DC B 15 15.718 15.240 -2.648 0.56 2.00 N ATOM 287 C2 DC B 15 15.154 16.472 -2.806 0.56 2.00 C ATOM 288 O2 DC B 15 15.875 17.369 -3.217 0.56 2.00 O ATOM 289 N3 DC B 15 13.819 16.602 -2.604 0.56 2.00 N ATOM 290 C4 DC B 15 13.068 15.521 -2.227 0.56 2.00 C ATOM 291 N4 DC B 15 11.741 15.751 -1.959 0.56 2.00 N ATOM 292 C5 DC B 15 13.647 14.296 -1.982 0.56 2.00 C ATOM 293 C6 DC B 15 14.958 14.247 -2.224 0.56 2.00 C ATOM 294 OP1 DC B 15 18.665 9.090 -4.503 0.56 21.42 O ATOM 295 OP2 DC B 15 16.536 9.289 -3.296 0.56 21.42 O ATOM 296 O5' DC B 15 17.991 11.348 -3.459 0.56 21.42 O ATOM 297 C5' DC B 15 18.980 12.179 -4.137 0.56 2.00 C ATOM 298 C4' DC B 15 18.805 13.564 -3.603 0.56 2.00 C ATOM 299 O4' DC B 15 17.420 13.883 -3.678 0.56 2.00 O ATOM 300 C3' DC B 15 19.088 13.817 -2.142 0.56 2.00 C ATOM 301 O3' DC B 15 20.136 14.649 -1.816 0.56 2.00 O ATOM 302 C2' DC B 15 17.843 14.616 -1.608 0.56 2.00 C ATOM 303 C1' DC B 15 17.146 15.016 -2.853 0.56 2.00 C ATOM 304 P DA B 16 20.941 14.441 -0.394 0.56 15.50 P ATOM 305 N9 DA B 16 18.327 18.383 0.117 0.56 2.45 N ATOM 306 C8 DA B 16 18.109 17.227 0.795 0.56 2.45 C ATOM 307 N7 DA B 16 16.868 16.906 1.056 0.56 2.45 N ATOM 308 C5 DA B 16 16.205 17.988 0.612 0.56 2.45 C ATOM 309 C6 DA B 16 14.839 18.270 0.628 0.56 2.45 C ATOM 310 N6 DA B 16 13.989 17.408 1.109 0.56 2.45 N ATOM 311 N1 DA B 16 14.460 19.480 0.089 0.56 2.45 N ATOM 312 C2 DA B 16 15.401 20.300 -0.406 0.56 2.45 C ATOM 313 N3 DA B 16 16.742 20.120 -0.483 0.56 2.45 N ATOM 314 C4 DA B 16 17.047 18.900 0.024 0.56 2.45 C ATOM 315 OP1 DA B 16 22.321 14.293 -0.960 0.56 15.50 O ATOM 316 OP2 DA B 16 20.105 13.657 0.268 0.56 15.50 O ATOM 317 O5' DA B 16 21.074 16.216 -0.287 0.56 15.50 O ATOM 318 C5' DA B 16 21.910 16.892 -1.245 0.56 2.00 C ATOM 319 C4' DA B 16 21.621 18.328 -1.413 0.56 2.00 C ATOM 320 O4' DA B 16 20.155 18.461 -1.467 0.56 2.00 O ATOM 321 C3' DA B 16 21.933 19.122 -0.190 0.56 2.00 C ATOM 322 O3' DA B 16 22.068 20.515 -0.549 0.56 2.00 O ATOM 323 C2' DA B 16 20.670 18.919 0.675 0.56 2.00 C ATOM 324 C1' DA B 16 19.554 19.067 -0.336 0.56 2.00 C ATOM 325 P DT B 17 22.867 21.636 0.166 0.56 18.40 P ATOM 326 N1 DT B 17 17.552 21.611 2.424 0.56 8.16 N ATOM 327 C2 DT B 17 16.190 21.469 2.621 0.56 8.16 C ATOM 328 O2 DT B 17 15.417 22.311 2.179 0.56 8.16 O ATOM 329 N3 DT B 17 15.654 20.359 3.211 0.56 8.16 N ATOM 330 C4 DT B 17 16.470 19.376 3.664 0.56 8.16 C ATOM 331 O4 DT B 17 15.944 18.327 4.162 0.56 8.16 O ATOM 332 C5 DT B 17 17.896 19.612 3.622 0.56 8.16 C ATOM 333 C6 DT B 17 18.354 20.699 3.030 0.56 8.16 C ATOM 334 OP1 DT B 17 24.264 21.920 -0.396 0.56 18.40 O ATOM 335 OP2 DT B 17 23.187 21.190 1.754 0.56 18.40 O ATOM 336 O5' DT B 17 21.808 22.831 0.294 0.56 18.40 O ATOM 337 C5' DT B 17 20.679 22.766 -0.658 0.56 13.75 C ATOM 338 C4' DT B 17 19.490 23.483 -0.053 0.56 13.75 C ATOM 339 O4' DT B 17 18.433 22.688 0.425 0.56 13.75 O ATOM 340 C3' DT B 17 19.991 24.205 1.173 0.56 13.75 C ATOM 341 O3' DT B 17 19.433 25.498 1.120 0.56 13.75 O ATOM 342 C2' DT B 17 19.426 23.286 2.304 0.56 13.75 C ATOM 343 C1' DT B 17 18.089 22.821 1.801 0.56 13.75 C ATOM 344 C7 DT B 17 18.925 18.613 4.122 0.56 8.16 C ATOM 345 P DT B 18 19.469 26.602 2.341 0.56 58.35 P ATOM 346 N1 DT B 18 15.781 24.165 5.277 0.56 8.01 N ATOM 347 C2 DT B 18 14.887 23.193 5.712 0.56 8.01 C ATOM 348 O2 DT B 18 13.645 23.222 5.676 0.56 8.01 O ATOM 349 N3 DT B 18 15.331 22.015 6.264 0.56 8.01 N ATOM 350 C4 DT B 18 16.662 21.791 6.433 0.56 8.01 C ATOM 351 O4 DT B 18 17.023 20.631 6.835 0.56 8.01 O ATOM 352 C5 DT B 18 17.549 22.802 6.019 0.56 8.01 C ATOM 353 C6 DT B 18 17.110 23.915 5.363 0.56 8.01 C ATOM 354 OP1 DT B 18 19.723 27.830 1.515 0.56 58.35 O ATOM 355 OP2 DT B 18 20.651 26.176 3.052 0.56 58.35 O ATOM 356 O5' DT B 18 18.004 26.458 2.663 0.56 58.35 O ATOM 357 C5' DT B 18 16.846 26.687 1.793 0.56 29.66 C ATOM 358 C4' DT B 18 15.549 26.697 2.645 0.56 29.66 C ATOM 359 O4' DT B 18 15.274 25.405 3.229 0.56 29.66 O ATOM 360 C3' DT B 18 15.550 27.620 3.890 0.56 29.66 C ATOM 361 O3' DT B 18 14.222 28.200 3.988 0.56 29.66 O ATOM 362 C2' DT B 18 15.971 26.660 4.988 0.56 29.66 C ATOM 363 C1' DT B 18 15.232 25.381 4.677 0.56 29.66 C ATOM 364 C7 DT B 18 19.001 22.467 6.159 0.56 8.01 C ATOM 365 P DT B 19 14.023 29.555 4.856 0.56 13.64 P ATOM 366 N1 DT B 19 13.567 24.999 8.769 0.56 3.52 N ATOM 367 C2 DT B 19 13.361 23.696 9.227 0.56 3.52 C ATOM 368 O2 DT B 19 12.248 23.180 9.413 0.56 3.52 O ATOM 369 N3 DT B 19 14.418 22.868 9.450 0.56 3.52 N ATOM 370 C4 DT B 19 15.709 23.334 9.273 0.56 3.52 C ATOM 371 O4 DT B 19 16.695 22.531 9.546 0.56 3.52 O ATOM 372 C5 DT B 19 15.865 24.690 8.918 0.56 3.52 C ATOM 373 C6 DT B 19 14.808 25.474 8.688 0.56 3.52 C ATOM 374 OP1 DT B 19 12.856 30.106 4.323 0.56 13.64 O ATOM 375 OP2 DT B 19 15.386 29.810 5.421 0.56 13.64 O ATOM 376 O5' DT B 19 13.457 28.554 6.277 0.56 13.64 O ATOM 377 C5' DT B 19 12.018 28.328 5.954 0.56 7.67 C ATOM 378 C4' DT B 19 11.408 27.387 6.938 0.56 7.67 C ATOM 379 O4' DT B 19 12.140 26.198 7.178 0.56 7.67 O ATOM 380 C3' DT B 19 11.188 27.923 8.381 0.56 7.67 C ATOM 381 O3' DT B 19 9.929 27.528 8.844 0.56 7.67 O ATOM 382 C2' DT B 19 12.301 27.204 9.161 0.56 7.67 C ATOM 383 C1' DT B 19 12.377 25.833 8.540 0.56 7.67 C ATOM 384 C7 DT B 19 17.200 25.373 8.668 0.56 3.52 C ATOM 385 P DT B 20 8.735 28.407 9.350 0.56 39.36 P ATOM 386 N1 DT B 20 11.342 24.450 12.594 0.56 13.97 N ATOM 387 C2 DT B 20 11.952 23.257 12.961 0.56 13.97 C ATOM 388 O2 DT B 20 11.466 22.145 13.181 0.56 13.97 O ATOM 389 N3 DT B 20 13.355 23.180 12.958 0.56 13.97 N ATOM 390 C4 DT B 20 14.019 24.326 12.676 0.56 13.97 C ATOM 391 O4 DT B 20 15.267 24.128 12.687 0.56 13.97 O ATOM 392 C5 DT B 20 13.415 25.537 12.298 0.56 13.97 C ATOM 393 C6 DT B 20 12.076 25.557 12.245 0.56 13.97 C ATOM 394 OP1 DT B 20 7.821 28.874 8.296 0.56 39.36 O ATOM 395 OP2 DT B 20 9.072 29.128 10.667 0.56 39.36 O ATOM 396 O5' DT B 20 7.793 27.262 10.076 0.56 39.36 O ATOM 397 C5' DT B 20 8.082 25.904 9.718 0.56 22.68 C ATOM 398 C4' DT B 20 8.234 25.039 10.918 0.56 22.68 C ATOM 399 O4' DT B 20 9.457 24.416 11.215 0.56 22.68 O ATOM 400 C3' DT B 20 7.877 25.716 12.237 0.56 22.68 C ATOM 401 O3' DT B 20 6.964 24.772 12.826 0.56 22.68 O ATOM 402 C2' DT B 20 9.206 25.835 12.936 0.56 22.68 C ATOM 403 C1' DT B 20 9.893 24.519 12.542 0.56 22.68 C ATOM 404 C7 DT B 20 14.306 26.758 12.133 0.56 13.97 C ATOM 405 P DT B 21 6.299 25.133 14.270 0.56 12.11 P ATOM 406 N1 DT B 21 11.552 23.022 16.702 0.56 2.00 N ATOM 407 C2 DT B 21 12.756 22.336 16.654 0.56 2.00 C ATOM 408 O2 DT B 21 12.768 21.153 16.979 0.56 2.00 O ATOM 409 N3 DT B 21 13.936 23.019 16.379 0.56 2.00 N ATOM 410 C4 DT B 21 13.838 24.359 16.123 0.56 2.00 C ATOM 411 O4 DT B 21 14.911 24.946 15.736 0.56 2.00 O ATOM 412 C5 DT B 21 12.620 25.011 16.001 0.56 2.00 C ATOM 413 C6 DT B 21 11.516 24.317 16.306 0.56 2.00 C ATOM 414 OP1 DT B 21 4.953 24.448 14.165 0.56 12.11 O ATOM 415 OP2 DT B 21 6.830 26.344 14.651 0.56 12.11 O ATOM 416 O5' DT B 21 7.476 24.210 15.105 0.56 12.11 O ATOM 417 C5' DT B 21 7.699 22.854 14.543 0.56 7.66 C ATOM 418 C4' DT B 21 8.348 22.004 15.605 0.56 7.66 C ATOM 419 O4' DT B 21 9.761 22.071 15.608 0.56 7.66 O ATOM 420 C3' DT B 21 7.906 22.319 17.017 0.56 7.66 C ATOM 421 O3' DT B 21 7.659 21.070 17.743 0.56 7.66 O ATOM 422 C2' DT B 21 9.129 23.072 17.548 0.56 7.66 C ATOM 423 C1' DT B 21 10.293 22.348 16.904 0.56 7.66 C ATOM 424 C7 DT B 21 12.459 26.467 15.648 0.56 2.00 C ATOM 425 P DG B 22 6.529 20.957 18.844 0.56 47.18 P ATOM 426 N9 DG B 22 11.273 22.432 21.105 0.56 3.37 N ATOM 427 C8 DG B 22 10.773 23.670 20.811 0.56 3.37 C ATOM 428 N7 DG B 22 11.623 24.477 20.225 0.56 3.37 N ATOM 429 C5 DG B 22 12.768 23.655 20.157 0.56 3.37 C ATOM 430 C6 DG B 22 14.076 23.999 19.713 0.56 3.37 C ATOM 431 O6 DG B 22 14.368 25.100 19.302 0.56 3.37 O ATOM 432 N1 DG B 22 14.942 23.006 19.856 0.56 3.37 N ATOM 433 C2 DG B 22 14.689 21.797 20.416 0.56 3.37 C ATOM 434 N2 DG B 22 15.765 21.043 20.542 0.56 3.37 N ATOM 435 N3 DG B 22 13.520 21.468 20.892 0.56 3.37 N ATOM 436 C4 DG B 22 12.623 22.465 20.739 0.56 3.37 C ATOM 437 OP1 DG B 22 5.367 20.199 18.448 0.56 47.18 O ATOM 438 OP2 DG B 22 5.978 22.458 19.120 0.56 47.18 O ATOM 439 O5' DG B 22 7.357 20.770 20.179 0.56 47.18 O ATOM 440 C5' DG B 22 7.856 19.450 20.495 0.56 18.54 C ATOM 441 C4' DG B 22 9.111 19.511 21.380 0.56 18.54 C ATOM 442 O4' DG B 22 10.197 20.267 20.859 0.56 18.54 O ATOM 443 C3' DG B 22 8.902 20.137 22.732 0.56 18.54 C ATOM 444 O3' DG B 22 9.780 19.552 23.683 0.56 18.54 O ATOM 445 C2' DG B 22 9.463 21.566 22.588 0.56 18.54 C ATOM 446 C1' DG B 22 10.655 21.258 21.759 0.56 18.54 C ATOM 447 P DC B 23 9.064 18.660 24.869 0.56 16.64 P ATOM 448 N1 DC B 23 13.749 21.027 24.954 0.56 17.04 N ATOM 449 C2 DC B 23 14.856 21.700 24.485 0.56 17.04 C ATOM 450 O2 DC B 23 15.972 21.193 24.428 0.56 17.04 O ATOM 451 N3 DC B 23 14.692 23.002 24.033 0.56 17.04 N ATOM 452 C4 DC B 23 13.478 23.580 24.096 0.56 17.04 C ATOM 453 N4 DC B 23 13.340 24.811 23.608 0.56 17.04 N ATOM 454 C5 DC B 23 12.319 22.878 24.567 0.56 17.04 C ATOM 455 C6 DC B 23 12.526 21.664 24.993 0.56 17.04 C ATOM 456 OP1 DC B 23 8.695 17.450 24.113 0.56 16.64 O ATOM 457 OP2 DC B 23 8.327 19.652 25.570 0.56 16.64 O ATOM 458 O5' DC B 23 10.610 18.507 25.703 0.56 16.64 O ATOM 459 C5' DC B 23 11.376 17.423 25.074 0.56 13.37 C ATOM 460 C4' DC B 23 12.830 17.580 25.490 0.56 13.37 C ATOM 461 O4' DC B 23 13.503 18.562 24.666 0.56 13.37 O ATOM 462 C3' DC B 23 12.961 18.029 26.937 0.56 13.37 C ATOM 463 O3' DC B 23 14.147 17.550 27.610 0.56 13.37 O ATOM 464 C2' DC B 23 13.112 19.514 26.726 0.56 13.37 C ATOM 465 C1' DC B 23 13.967 19.645 25.466 0.56 13.37 C ATOM 466 P DG B 24 14.359 17.607 29.175 0.56 18.29 P ATOM 467 N9 DG B 24 17.328 21.521 27.805 0.56 5.23 N ATOM 468 C8 DG B 24 16.002 21.372 28.191 0.56 5.23 C ATOM 469 N7 DG B 24 15.249 22.412 27.915 0.56 5.23 N ATOM 470 C5 DG B 24 16.164 23.342 27.369 0.56 5.23 C ATOM 471 C6 DG B 24 15.969 24.593 26.841 0.56 5.23 C ATOM 472 O6 DG B 24 14.854 25.111 26.723 0.56 5.23 O ATOM 473 N1 DG B 24 17.061 25.184 26.408 0.56 5.23 N ATOM 474 C2 DG B 24 18.283 24.647 26.395 0.56 5.23 C ATOM 475 N2 DG B 24 19.301 25.475 25.988 0.56 5.23 N ATOM 476 N3 DG B 24 18.511 23.482 26.956 0.56 5.23 N ATOM 477 C4 DG B 24 17.423 22.820 27.325 0.56 5.23 C ATOM 478 OP1 DG B 24 14.553 16.321 29.815 0.56 18.29 O ATOM 479 OP2 DG B 24 13.323 18.626 29.811 0.56 18.29 O ATOM 480 O5' DG B 24 15.827 18.258 29.251 0.56 18.29 O ATOM 481 C5' DG B 24 16.865 17.528 28.554 0.56 2.00 C ATOM 482 C4' DG B 24 18.143 18.320 28.767 0.56 2.00 C ATOM 483 O4' DG B 24 18.329 19.325 27.772 0.56 2.00 O ATOM 484 C3' DG B 24 18.260 18.976 30.113 0.56 2.00 C ATOM 485 O3' DG B 24 19.555 19.030 30.690 0.56 2.00 O ATOM 486 C2' DG B 24 17.766 20.383 29.679 0.56 2.00 C ATOM 487 C1' DG B 24 18.367 20.612 28.298 0.56 2.00 C TER 488 DG B 24 HETATM 489 MG MG 49 10.059 9.599 13.061 1.00 21.25 MG HETATM 490 MG MG 50 9.997 13.331 8.404 1.00 55.37 MG HETATM 491 O HOH 51 17.705 12.748 1.698 1.00 49.99 O HETATM 492 O HOH 52 18.688 18.318 8.321 1.00 30.84 O HETATM 493 O HOH 53 21.828 23.557 4.854 1.00 31.21 O HETATM 494 O HOH 54 9.375 18.245 14.883 1.00 55.39 O HETATM 495 O HOH 55 5.165 18.723 25.228 1.00 39.61 O HETATM 496 O HOH 56 22.247 25.723 -10.735 1.00 37.61 O HETATM 497 O HOH 57 18.343 27.822 16.922 1.00 42.46 O HETATM 498 O HOH 58 10.977 25.635 -8.829 1.00 33.20 O HETATM 499 O HOH 59 9.431 22.023 -11.324 1.00 45.52 O HETATM 500 O HOH 60 16.400 33.961 26.755 1.00 46.72 O HETATM 501 O HOH 61 22.539 14.154 19.884 1.00 56.50 O HETATM 502 O HOH 62 12.064 17.583 18.812 1.00 55.05 O HETATM 503 O HOH 63 12.113 30.144 -3.802 1.00 45.46 O HETATM 504 O HOH 64 21.462 16.310 6.743 1.00 58.77 O HETATM 505 O HOH 65 24.203 20.151 12.976 1.00 60.00 O HETATM 506 O HOH 66 6.015 16.693 -1.857 1.00 55.78 O HETATM 507 O HOH 67 9.942 23.418 -13.116 1.00 53.50 O HETATM 508 O HOH 68 3.886 14.946 5.238 1.00 60.00 O HETATM 509 O HOH 69 14.374 27.931 21.480 1.00 41.44 O HETATM 510 O HOH 70 14.009 24.459 -2.035 1.00 39.52 O HETATM 511 O HOH 71 23.158 22.355 -10.873 1.00 29.98 O MASTER 0 0 0 0 0 0 0 6 995 4 0 4 END