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 JRNL PMID 2928304 JRNL DOI 10.1073/PNAS.86.6.1816 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) LINK MG MG A 50 OP2 DA A 7 1555 1555 2.68 LINK MG MG D 49 O HOH D 69 1555 3645 2.44 SITE 1 AC1 1 HOH D 69 SITE 1 AC2 3 DA A 7 DC D 37 DT D 43 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 MODEL 1 ATOM 1 O5' DC A 1 18.600 33.733 25.145 0.56 49.97 O ATOM 2 C5' DC A 1 19.593 33.814 24.036 0.56 8.36 C ATOM 3 C4' DC A 1 20.080 32.414 23.669 0.56 8.36 C ATOM 4 O4' DC A 1 19.460 31.393 24.443 0.56 8.36 O ATOM 5 C3' DC A 1 19.719 31.980 22.278 0.56 8.36 C ATOM 6 O3' DC A 1 20.721 31.023 22.032 0.56 8.36 O ATOM 7 C2' DC A 1 18.457 31.211 22.443 0.56 8.36 C ATOM 8 C1' DC A 1 18.797 30.430 23.671 0.56 8.36 C ATOM 9 N1 DC A 1 17.593 29.686 24.160 0.56 6.87 N ATOM 10 C2 DC A 1 17.867 28.484 24.753 0.56 6.87 C ATOM 11 O2 DC A 1 18.988 27.985 24.831 0.56 6.87 O ATOM 12 N3 DC A 1 16.827 27.714 25.164 0.56 6.87 N ATOM 13 C4 DC A 1 15.547 28.163 24.979 0.56 6.87 C ATOM 14 N4 DC A 1 14.632 27.335 25.413 0.56 6.87 N ATOM 15 C5 DC A 1 15.285 29.347 24.364 0.56 6.87 C ATOM 16 C6 DC A 1 16.355 30.090 23.951 0.56 6.87 C ATOM 17 P DG A 2 22.094 31.426 21.241 0.56 13.72 P ATOM 18 OP1 DG A 2 22.971 31.875 22.316 0.56 13.72 O ATOM 19 OP2 DG A 2 21.673 31.306 19.867 0.56 13.72 O ATOM 20 O5' DG A 2 22.535 29.687 21.024 0.56 13.72 O ATOM 21 C5' DG A 2 23.302 29.217 22.127 0.56 28.17 C ATOM 22 C4' DG A 2 23.267 27.699 22.162 0.56 28.17 C ATOM 23 O4' DG A 2 21.985 27.196 22.588 0.56 28.17 O ATOM 24 C3' DG A 2 23.439 27.213 20.720 0.56 28.17 C ATOM 25 O3' DG A 2 24.153 25.949 20.757 0.56 28.17 O ATOM 26 C2' DG A 2 21.979 27.101 20.305 0.56 28.17 C ATOM 27 C1' DG A 2 21.326 26.514 21.482 0.56 28.17 C ATOM 28 N9 DG A 2 19.881 26.660 21.540 0.56 2.00 N ATOM 29 C8 DG A 2 19.098 27.716 21.131 0.56 2.00 C ATOM 30 N7 DG A 2 17.805 27.567 21.325 0.56 2.00 N ATOM 31 C5 DG A 2 17.779 26.228 21.892 0.56 2.00 C ATOM 32 C6 DG A 2 16.698 25.490 22.381 0.56 2.00 C ATOM 33 O6 DG A 2 15.507 25.825 22.350 0.56 2.00 O ATOM 34 N1 DG A 2 16.985 24.294 22.919 0.56 2.00 N ATOM 35 C2 DG A 2 18.263 23.865 23.017 0.56 2.00 C ATOM 36 N2 DG A 2 18.344 22.658 23.622 0.56 2.00 N ATOM 37 N3 DG A 2 19.337 24.540 22.622 0.56 2.00 N ATOM 38 C4 DG A 2 19.009 25.727 22.116 0.56 2.00 C ATOM 39 P DC A 3 25.015 25.526 19.390 0.56 28.50 P ATOM 40 OP1 DC A 3 26.230 26.423 19.751 0.56 28.50 O ATOM 41 OP2 DC A 3 24.090 26.141 18.340 0.56 28.50 O ATOM 42 O5' DC A 3 24.906 24.117 19.586 0.56 28.50 O ATOM 43 C5' DC A 3 24.005 23.377 20.448 0.56 2.00 C ATOM 44 C4' DC A 3 23.036 22.429 19.873 0.56 2.00 C ATOM 45 O4' DC A 3 21.666 22.695 20.033 0.56 2.00 O ATOM 46 C3' DC A 3 23.151 22.021 18.415 0.56 2.00 C ATOM 47 O3' DC A 3 23.242 20.606 18.214 0.56 2.00 O ATOM 48 C2' DC A 3 21.778 22.433 17.870 0.56 2.00 C ATOM 49 C1' DC A 3 20.840 22.237 18.992 0.56 2.00 C ATOM 50 N1 DC A 3 19.771 23.185 18.835 0.56 2.00 N ATOM 51 C2 DC A 3 18.538 22.924 19.360 0.56 2.00 C ATOM 52 O2 DC A 3 18.229 21.908 19.981 0.56 2.00 O ATOM 53 N3 DC A 3 17.542 23.808 19.064 0.56 2.00 N ATOM 54 C4 DC A 3 17.773 25.005 18.521 0.56 2.00 C ATOM 55 N4 DC A 3 16.774 25.862 18.389 0.56 2.00 N ATOM 56 C5 DC A 3 19.054 25.283 17.969 0.56 2.00 C ATOM 57 C6 DC A 3 19.993 24.357 18.145 0.56 2.00 C ATOM 58 P DA A 4 24.146 19.956 17.012 0.56 3.62 P ATOM 59 OP1 DA A 4 25.282 19.327 17.785 0.56 3.62 O ATOM 60 OP2 DA A 4 23.758 20.817 15.830 0.56 3.62 O ATOM 61 O5' DA A 4 23.003 18.531 17.013 0.56 3.62 O ATOM 62 C5' DA A 4 23.020 17.914 18.321 0.56 10.83 C ATOM 63 C4' DA A 4 21.717 17.125 18.486 0.56 10.83 C ATOM 64 O4' DA A 4 20.555 17.974 18.529 0.56 10.83 O ATOM 65 C3' DA A 4 21.480 16.308 17.216 0.56 10.83 C ATOM 66 O3' DA A 4 20.677 15.165 17.629 0.56 10.83 O ATOM 67 C2' DA A 4 20.674 17.238 16.305 0.56 10.83 C ATOM 68 C1' DA A 4 19.749 17.875 17.347 0.56 10.83 C ATOM 69 N9 DA A 4 19.387 19.202 16.868 0.56 2.00 N ATOM 70 C8 DA A 4 20.180 20.015 16.081 0.56 2.00 C ATOM 71 N7 DA A 4 19.578 21.137 15.741 0.56 2.00 N ATOM 72 C5 DA A 4 18.292 21.025 16.335 0.56 2.00 C ATOM 73 C6 DA A 4 17.215 21.924 16.327 0.56 2.00 C ATOM 74 N6 DA A 4 17.207 23.107 15.660 0.56 2.00 N ATOM 75 N1 DA A 4 16.121 21.395 16.909 0.56 2.00 N ATOM 76 C2 DA A 4 16.100 20.184 17.533 0.56 2.00 C ATOM 77 N3 DA A 4 17.072 19.267 17.591 0.56 2.00 N ATOM 78 C4 DA A 4 18.165 19.827 16.981 0.56 2.00 C ATOM 79 P DA A 5 20.192 14.077 16.539 0.56 11.78 P ATOM 80 OP1 DA A 5 21.279 13.109 16.499 0.56 11.78 O ATOM 81 OP2 DA A 5 19.914 14.760 15.326 0.56 11.78 O ATOM 82 O5' DA A 5 18.848 13.648 17.337 0.56 11.78 O ATOM 83 C5' DA A 5 17.929 14.759 17.683 0.56 41.00 C ATOM 84 C4' DA A 5 16.641 14.716 16.837 0.56 41.00 C ATOM 85 O4' DA A 5 16.243 16.003 16.357 0.56 41.00 O ATOM 86 C3' DA A 5 16.684 13.939 15.530 0.56 41.00 C ATOM 87 O3' DA A 5 15.341 13.496 15.252 0.56 41.00 O ATOM 88 C2' DA A 5 16.991 14.987 14.487 0.56 41.00 C ATOM 89 C1' DA A 5 16.098 16.114 14.970 0.56 41.00 C ATOM 90 N9 DA A 5 16.517 17.362 14.350 0.56 11.20 N ATOM 91 C8 DA A 5 17.697 17.707 13.763 0.56 11.20 C ATOM 92 N7 DA A 5 17.705 18.944 13.228 0.56 11.20 N ATOM 93 C5 DA A 5 16.430 19.408 13.576 0.56 11.20 C ATOM 94 C6 DA A 5 15.890 20.676 13.400 0.56 11.20 C ATOM 95 N6 DA A 5 16.486 21.712 12.786 0.56 11.20 N ATOM 96 N1 DA A 5 14.567 20.841 13.788 0.56 11.20 N ATOM 97 C2 DA A 5 14.008 19.767 14.388 0.56 11.20 C ATOM 98 N3 DA A 5 14.445 18.546 14.725 0.56 11.20 N ATOM 99 C4 DA A 5 15.721 18.494 14.272 0.56 11.20 C ATOM 100 P DA A 6 14.839 12.456 14.139 0.56 28.05 P ATOM 101 OP1 DA A 6 14.829 11.133 15.085 0.56 28.05 O ATOM 102 OP2 DA A 6 15.277 12.968 12.860 0.56 28.05 O ATOM 103 O5' DA A 6 13.211 12.668 14.356 0.56 28.05 O ATOM 104 C5' DA A 6 12.779 13.824 15.109 0.56 6.25 C ATOM 105 C4' DA A 6 11.788 14.710 14.407 0.56 6.25 C ATOM 106 O4' DA A 6 12.374 15.888 13.832 0.56 6.25 O ATOM 107 C3' DA A 6 11.127 14.104 13.183 0.56 6.25 C ATOM 108 O3' DA A 6 9.827 14.689 13.102 0.56 6.25 O ATOM 109 C2' DA A 6 11.955 14.614 12.022 0.56 6.25 C ATOM 110 C1' DA A 6 12.211 16.047 12.463 0.56 6.25 C ATOM 111 N9 DA A 6 13.385 16.634 11.830 0.56 2.00 N ATOM 112 C8 DA A 6 14.586 16.070 11.509 0.56 2.00 C ATOM 113 N7 DA A 6 15.449 16.877 10.881 0.56 2.00 N ATOM 114 C5 DA A 6 14.751 18.092 10.887 0.56 2.00 C ATOM 115 C6 DA A 6 15.116 19.299 10.339 0.56 2.00 C ATOM 116 N6 DA A 6 16.281 19.631 9.775 0.56 2.00 N ATOM 117 N1 DA A 6 14.131 20.280 10.432 0.56 2.00 N ATOM 118 C2 DA A 6 12.951 19.934 11.015 0.56 2.00 C ATOM 119 N3 DA A 6 12.514 18.798 11.522 0.56 2.00 N ATOM 120 C4 DA A 6 13.496 17.933 11.430 0.56 2.00 C ATOM 121 P DA A 7 8.759 14.155 12.039 0.56 2.00 P ATOM 122 OP1 DA A 7 7.500 13.692 12.572 0.56 2.00 O ATOM 123 OP2 DA A 7 9.301 13.254 10.987 0.56 2.00 O ATOM 124 O5' DA A 7 8.538 15.457 11.096 0.56 2.00 O ATOM 125 C5' DA A 7 7.784 16.580 11.663 0.56 7.82 C ATOM 126 C4' DA A 7 7.707 17.755 10.722 0.56 7.82 C ATOM 127 O4' DA A 7 8.990 18.261 10.304 0.56 7.82 O ATOM 128 C3' DA A 7 7.023 17.426 9.410 0.56 7.82 C ATOM 129 O3' DA A 7 6.223 18.540 9.092 0.56 7.82 O ATOM 130 C2' DA A 7 8.189 17.209 8.424 0.56 7.82 C ATOM 131 C1' DA A 7 9.173 18.267 8.902 0.56 7.82 C ATOM 132 N9 DA A 7 10.581 17.984 8.562 0.56 8.89 N ATOM 133 C8 DA A 7 11.282 16.868 8.437 0.56 8.89 C ATOM 134 N7 DA A 7 12.557 16.978 8.036 0.56 8.89 N ATOM 135 C5 DA A 7 12.618 18.362 7.826 0.56 8.89 C ATOM 136 C6 DA A 7 13.689 19.146 7.413 0.56 8.89 C ATOM 137 N6 DA A 7 14.868 18.623 7.089 0.56 8.89 N ATOM 138 N1 DA A 7 13.449 20.467 7.139 0.56 8.89 N ATOM 139 C2 DA A 7 12.191 20.983 7.445 0.56 8.89 C ATOM 140 N3 DA A 7 11.099 20.309 7.905 0.56 8.89 N ATOM 141 C4 DA A 7 11.427 18.977 8.073 0.56 8.89 C ATOM 142 P DA A 8 4.771 18.304 8.312 0.56 18.26 P ATOM 143 OP1 DA A 8 3.829 18.918 9.231 0.56 18.26 O ATOM 144 OP2 DA A 8 4.967 17.034 7.642 0.56 18.26 O ATOM 145 O5' DA A 8 5.196 19.317 7.036 0.56 18.26 O ATOM 146 C5' DA A 8 5.713 20.586 7.588 0.56 2.00 C ATOM 147 C4' DA A 8 6.411 21.391 6.494 0.56 2.00 C ATOM 148 O4' DA A 8 7.779 21.049 6.245 0.56 2.00 O ATOM 149 C3' DA A 8 5.791 21.355 5.080 0.56 2.00 C ATOM 150 O3' DA A 8 5.785 22.642 4.446 0.56 2.00 O ATOM 151 C2' DA A 8 6.683 20.381 4.305 0.56 2.00 C ATOM 152 C1' DA A 8 8.042 20.741 4.896 0.56 2.00 C ATOM 153 N9 DA A 8 9.051 19.682 4.831 0.56 6.39 N ATOM 154 C8 DA A 8 8.931 18.317 4.995 0.56 6.39 C ATOM 155 N7 DA A 8 10.082 17.709 4.789 0.56 6.39 N ATOM 156 C5 DA A 8 10.987 18.748 4.426 0.56 6.39 C ATOM 157 C6 DA A 8 12.334 18.729 4.070 0.56 6.39 C ATOM 158 N6 DA A 8 13.153 17.689 4.127 0.56 6.39 N ATOM 159 N1 DA A 8 12.977 19.910 3.761 0.56 6.39 N ATOM 160 C2 DA A 8 12.244 21.124 3.761 0.56 6.39 C ATOM 161 N3 DA A 8 10.915 21.143 4.118 0.56 6.39 N ATOM 162 C4 DA A 8 10.364 19.961 4.443 0.56 6.39 C ATOM 163 P DT A 9 5.140 23.087 3.039 0.56 15.43 P ATOM 164 OP1 DT A 9 3.734 23.400 2.925 0.56 15.43 O ATOM 165 OP2 DT A 9 4.796 21.623 2.254 0.56 15.43 O ATOM 166 O5' DT A 9 6.492 23.492 2.206 0.56 15.43 O ATOM 167 C5' DT A 9 7.394 24.457 2.943 0.56 2.00 C ATOM 168 C4' DT A 9 8.424 24.875 1.884 0.56 2.00 C ATOM 169 O4' DT A 9 9.464 23.899 1.848 0.56 2.00 O ATOM 170 C3' DT A 9 7.943 24.800 0.490 0.56 2.00 C ATOM 171 O3' DT A 9 8.763 25.672 -0.279 0.56 2.00 O ATOM 172 C2' DT A 9 8.303 23.372 -0.034 0.56 2.00 C ATOM 173 C1' DT A 9 9.653 23.206 0.616 0.56 2.00 C ATOM 174 N1 DT A 9 9.990 21.789 0.780 0.56 7.20 N ATOM 175 C2 DT A 9 11.312 21.460 0.547 0.56 7.20 C ATOM 176 O2 DT A 9 12.114 22.358 0.308 0.56 7.20 O ATOM 177 N3 DT A 9 11.697 20.157 0.614 0.56 7.20 N ATOM 178 C4 DT A 9 10.779 19.168 0.762 0.56 7.20 C ATOM 179 O4 DT A 9 11.160 17.963 0.834 0.56 7.20 O ATOM 180 C5 DT A 9 9.400 19.518 0.942 0.56 7.20 C ATOM 181 C7 DT A 9 8.447 18.369 1.187 0.56 7.20 C ATOM 182 C6 DT A 9 9.063 20.798 1.002 0.56 7.20 C ATOM 183 P DG A 10 7.900 26.760 -1.147 0.56 13.27 P ATOM 184 OP1 DG A 10 8.098 28.004 -0.553 0.56 13.27 O ATOM 185 OP2 DG A 10 6.877 26.015 -1.946 0.56 13.27 O ATOM 186 O5' DG A 10 8.851 26.158 -2.624 0.56 13.27 O ATOM 187 C5' DG A 10 10.170 26.622 -2.245 0.56 23.16 C ATOM 188 C4' DG A 10 11.202 25.864 -3.108 0.56 23.16 C ATOM 189 O4' DG A 10 11.351 24.512 -2.693 0.56 23.16 O ATOM 190 C3' DG A 10 10.958 25.745 -4.623 0.56 23.16 C ATOM 191 O3' DG A 10 12.280 25.763 -5.235 0.56 23.16 O ATOM 192 C2' DG A 10 10.384 24.357 -4.858 0.56 23.16 C ATOM 193 C1' DG A 10 11.195 23.617 -3.809 0.56 23.16 C ATOM 194 N9 DG A 10 10.549 22.342 -3.459 0.56 2.07 N ATOM 195 C8 DG A 10 9.260 21.999 -3.236 0.56 2.07 C ATOM 196 N7 DG A 10 9.052 20.731 -2.909 0.56 2.07 N ATOM 197 C5 DG A 10 10.364 20.217 -2.881 0.56 2.07 C ATOM 198 C6 DG A 10 10.810 18.894 -2.721 0.56 2.07 C ATOM 199 O6 DG A 10 10.004 17.939 -2.425 0.56 2.07 O ATOM 200 N1 DG A 10 12.190 18.825 -2.812 0.56 2.07 N ATOM 201 C2 DG A 10 12.994 19.849 -3.039 0.56 2.07 C ATOM 202 N2 DG A 10 14.318 19.664 -3.107 0.56 2.07 N ATOM 203 N3 DG A 10 12.617 21.104 -3.296 0.56 2.07 N ATOM 204 C4 DG A 10 11.269 21.181 -3.218 0.56 2.07 C ATOM 205 P DC A 11 12.635 27.149 -6.083 0.56 26.20 P ATOM 206 OP1 DC A 11 12.654 28.077 -4.808 0.56 26.20 O ATOM 207 OP2 DC A 11 11.663 27.090 -7.220 0.56 26.20 O ATOM 208 O5' DC A 11 14.215 26.660 -6.400 0.56 26.20 O ATOM 209 C5' DC A 11 15.099 26.601 -5.220 0.56 30.19 C ATOM 210 C4' DC A 11 16.220 25.616 -5.580 0.56 30.19 C ATOM 211 O4' DC A 11 15.707 24.269 -5.433 0.56 30.19 O ATOM 212 C3' DC A 11 16.738 25.580 -7.011 0.56 30.19 C ATOM 213 O3' DC A 11 18.113 25.251 -6.875 0.56 30.19 O ATOM 214 C2' DC A 11 15.938 24.489 -7.674 0.56 30.19 C ATOM 215 C1' DC A 11 15.806 23.448 -6.588 0.56 30.19 C ATOM 216 N1 DC A 11 14.592 22.616 -6.684 0.56 17.28 N ATOM 217 C2 DC A 11 14.689 21.261 -6.443 0.56 17.28 C ATOM 218 O2 DC A 11 15.780 20.686 -6.232 0.56 17.28 O ATOM 219 N3 DC A 11 13.577 20.466 -6.504 0.56 17.28 N ATOM 220 C4 DC A 11 12.403 21.034 -6.810 0.56 17.28 C ATOM 221 N4 DC A 11 11.316 20.289 -6.829 0.56 17.28 N ATOM 222 C5 DC A 11 12.301 22.406 -7.071 0.56 17.28 C ATOM 223 C6 DC A 11 13.411 23.157 -7.012 0.56 17.28 C ATOM 224 P DG A 12 19.056 25.853 -8.024 0.56 17.14 P ATOM 225 OP1 DG A 12 20.558 25.667 -7.489 0.56 17.14 O ATOM 226 OP2 DG A 12 18.391 26.614 -8.950 0.56 17.14 O ATOM 227 O5' DG A 12 18.862 24.401 -9.064 0.56 17.14 O ATOM 228 C5' DG A 12 19.367 23.222 -8.446 0.56 7.20 C ATOM 229 C4' DG A 12 19.287 22.146 -9.509 0.56 7.20 C ATOM 230 O4' DG A 12 18.062 21.403 -9.531 0.56 7.20 O ATOM 231 C3' DG A 12 19.454 22.652 -10.972 0.56 7.20 C ATOM 232 O3' DG A 12 20.469 21.905 -11.641 0.56 7.20 O ATOM 233 C2' DG A 12 18.024 22.528 -11.545 0.56 7.20 C ATOM 234 C1' DG A 12 17.472 21.330 -10.840 0.56 7.20 C ATOM 235 N9 DG A 12 16.024 21.312 -10.684 0.56 21.64 N ATOM 236 C8 DG A 12 15.132 22.300 -10.935 0.56 21.64 C ATOM 237 N7 DG A 12 13.844 22.024 -10.900 0.56 21.64 N ATOM 238 C5 DG A 12 13.935 20.675 -10.504 0.56 21.64 C ATOM 239 C6 DG A 12 12.876 19.798 -10.135 0.56 21.64 C ATOM 240 O6 DG A 12 11.710 20.102 -10.158 0.56 21.64 O ATOM 241 N1 DG A 12 13.282 18.544 -9.912 0.56 21.64 N ATOM 242 C2 DG A 12 14.567 18.142 -9.895 0.56 21.64 C ATOM 243 N2 DG A 12 14.606 16.878 -9.520 0.56 21.64 N ATOM 244 N3 DG A 12 15.625 18.927 -10.156 0.56 21.64 N ATOM 245 C4 DG A 12 15.233 20.199 -10.420 0.56 21.64 C TER 246 DG A 12 ATOM 247 O5' DC B 13 7.738 10.673 -9.957 0.56 60.00 O ATOM 248 C5' DC B 13 9.008 10.793 -10.644 0.56 2.45 C ATOM 249 C4' DC B 13 10.203 10.971 -9.681 0.56 2.45 C ATOM 250 O4' DC B 13 10.844 12.253 -9.946 0.56 2.45 O ATOM 251 C3' DC B 13 9.871 10.976 -8.222 0.56 2.45 C ATOM 252 O3' DC B 13 11.061 10.572 -7.499 0.56 2.45 O ATOM 253 C2' DC B 13 9.647 12.452 -7.953 0.56 2.45 C ATOM 254 C1' DC B 13 10.786 13.031 -8.762 0.56 2.45 C ATOM 255 N1 DC B 13 10.505 14.436 -8.940 0.56 21.62 N ATOM 256 C2 DC B 13 11.591 15.314 -8.978 0.56 21.62 C ATOM 257 O2 DC B 13 12.707 14.906 -8.989 0.56 21.62 O ATOM 258 N3 DC B 13 11.382 16.657 -9.023 0.56 21.62 N ATOM 259 C4 DC B 13 10.068 17.090 -9.047 0.56 21.62 C ATOM 260 N4 DC B 13 9.910 18.405 -9.068 0.56 21.62 N ATOM 261 C5 DC B 13 8.946 16.220 -8.948 0.56 21.62 C ATOM 262 C6 DC B 13 9.233 14.908 -8.909 0.56 21.62 C ATOM 263 P DG B 14 10.949 9.472 -6.303 0.56 11.10 P ATOM 264 OP1 DG B 14 11.151 8.234 -7.023 0.56 11.10 O ATOM 265 OP2 DG B 14 10.173 10.113 -5.333 0.56 11.10 O ATOM 266 O5' DG B 14 12.638 9.682 -5.914 0.56 11.10 O ATOM 267 C5' DG B 14 13.556 9.718 -7.091 0.56 4.05 C ATOM 268 C4' DG B 14 14.856 10.437 -6.828 0.56 4.05 C ATOM 269 O4' DG B 14 14.766 11.844 -7.159 0.56 4.05 O ATOM 270 C3' DG B 14 15.421 10.452 -5.399 0.56 4.05 C ATOM 271 O3' DG B 14 16.869 10.472 -5.410 0.56 4.05 O ATOM 272 C2' DG B 14 14.944 11.772 -4.816 0.56 4.05 C ATOM 273 C1' DG B 14 15.084 12.671 -6.042 0.56 4.05 C ATOM 274 N9 DG B 14 14.012 13.693 -5.931 0.56 8.42 N ATOM 275 C8 DG B 14 12.681 13.398 -5.698 0.56 8.42 C ATOM 276 N7 DG B 14 11.920 14.485 -5.640 0.56 8.42 N ATOM 277 C5 DG B 14 12.834 15.547 -5.935 0.56 8.42 C ATOM 278 C6 DG B 14 12.669 16.942 -5.918 0.56 8.42 C ATOM 279 O6 DG B 14 11.631 17.654 -5.809 0.56 8.42 O ATOM 280 N1 DG B 14 13.828 17.640 -6.099 0.56 8.42 N ATOM 281 C2 DG B 14 15.034 17.037 -6.247 0.56 8.42 C ATOM 282 N2 DG B 14 16.075 17.842 -6.464 0.56 8.42 N ATOM 283 N3 DG B 14 15.248 15.735 -6.258 0.56 8.42 N ATOM 284 C4 DG B 14 14.100 15.057 -6.075 0.56 8.42 C ATOM 285 P DC B 15 17.576 9.965 -4.023 0.56 21.42 P ATOM 286 OP1 DC B 15 18.665 9.090 -4.503 0.56 21.42 O ATOM 287 OP2 DC B 15 16.536 9.289 -3.296 0.56 21.42 O ATOM 288 O5' DC B 15 17.991 11.348 -3.459 0.56 21.42 O ATOM 289 C5' DC B 15 18.980 12.179 -4.137 0.56 2.00 C ATOM 290 C4' DC B 15 18.805 13.564 -3.603 0.56 2.00 C ATOM 291 O4' DC B 15 17.420 13.883 -3.678 0.56 2.00 O ATOM 292 C3' DC B 15 19.088 13.817 -2.142 0.56 2.00 C ATOM 293 O3' DC B 15 20.136 14.649 -1.816 0.56 2.00 O ATOM 294 C2' DC B 15 17.843 14.616 -1.608 0.56 2.00 C ATOM 295 C1' DC B 15 17.146 15.016 -2.853 0.56 2.00 C ATOM 296 N1 DC B 15 15.718 15.240 -2.648 0.56 2.00 N ATOM 297 C2 DC B 15 15.154 16.472 -2.806 0.56 2.00 C ATOM 298 O2 DC B 15 15.875 17.369 -3.217 0.56 2.00 O ATOM 299 N3 DC B 15 13.819 16.602 -2.604 0.56 2.00 N ATOM 300 C4 DC B 15 13.068 15.521 -2.227 0.56 2.00 C ATOM 301 N4 DC B 15 11.741 15.751 -1.959 0.56 2.00 N ATOM 302 C5 DC B 15 13.647 14.296 -1.982 0.56 2.00 C ATOM 303 C6 DC B 15 14.958 14.247 -2.224 0.56 2.00 C ATOM 304 P DA B 16 20.941 14.441 -0.394 0.56 15.50 P ATOM 305 OP1 DA B 16 22.321 14.293 -0.960 0.56 15.50 O ATOM 306 OP2 DA B 16 20.105 13.657 0.268 0.56 15.50 O ATOM 307 O5' DA B 16 21.074 16.216 -0.287 0.56 15.50 O ATOM 308 C5' DA B 16 21.910 16.892 -1.245 0.56 2.00 C ATOM 309 C4' DA B 16 21.621 18.328 -1.413 0.56 2.00 C ATOM 310 O4' DA B 16 20.155 18.461 -1.467 0.56 2.00 O ATOM 311 C3' DA B 16 21.933 19.122 -0.190 0.56 2.00 C ATOM 312 O3' DA B 16 22.068 20.515 -0.549 0.56 2.00 O ATOM 313 C2' DA B 16 20.670 18.919 0.675 0.56 2.00 C ATOM 314 C1' DA B 16 19.554 19.067 -0.336 0.56 2.00 C ATOM 315 N9 DA B 16 18.327 18.383 0.117 0.56 2.45 N ATOM 316 C8 DA B 16 18.109 17.227 0.795 0.56 2.45 C ATOM 317 N7 DA B 16 16.868 16.906 1.056 0.56 2.45 N ATOM 318 C5 DA B 16 16.205 17.988 0.612 0.56 2.45 C ATOM 319 C6 DA B 16 14.839 18.270 0.628 0.56 2.45 C ATOM 320 N6 DA B 16 13.989 17.408 1.109 0.56 2.45 N ATOM 321 N1 DA B 16 14.460 19.480 0.089 0.56 2.45 N ATOM 322 C2 DA B 16 15.401 20.300 -0.406 0.56 2.45 C ATOM 323 N3 DA B 16 16.742 20.120 -0.483 0.56 2.45 N ATOM 324 C4 DA B 16 17.047 18.900 0.024 0.56 2.45 C ATOM 325 P DT B 17 22.867 21.636 0.166 0.56 18.40 P ATOM 326 OP1 DT B 17 24.264 21.920 -0.396 0.56 18.40 O ATOM 327 OP2 DT B 17 23.187 21.190 1.754 0.56 18.40 O ATOM 328 O5' DT B 17 21.808 22.831 0.294 0.56 18.40 O ATOM 329 C5' DT B 17 20.679 22.766 -0.658 0.56 13.75 C ATOM 330 C4' DT B 17 19.490 23.483 -0.053 0.56 13.75 C ATOM 331 O4' DT B 17 18.433 22.688 0.425 0.56 13.75 O ATOM 332 C3' DT B 17 19.991 24.205 1.173 0.56 13.75 C ATOM 333 O3' DT B 17 19.433 25.498 1.120 0.56 13.75 O ATOM 334 C2' DT B 17 19.426 23.286 2.304 0.56 13.75 C ATOM 335 C1' DT B 17 18.089 22.821 1.801 0.56 13.75 C ATOM 336 N1 DT B 17 17.552 21.611 2.424 0.56 8.16 N ATOM 337 C2 DT B 17 16.190 21.469 2.621 0.56 8.16 C ATOM 338 O2 DT B 17 15.417 22.311 2.179 0.56 8.16 O ATOM 339 N3 DT B 17 15.654 20.359 3.211 0.56 8.16 N ATOM 340 C4 DT B 17 16.470 19.376 3.664 0.56 8.16 C ATOM 341 O4 DT B 17 15.944 18.327 4.162 0.56 8.16 O ATOM 342 C5 DT B 17 17.896 19.612 3.622 0.56 8.16 C ATOM 343 C7 DT B 17 18.925 18.613 4.122 0.56 8.16 C ATOM 344 C6 DT B 17 18.354 20.699 3.030 0.56 8.16 C ATOM 345 P DT B 18 19.469 26.602 2.341 0.56 58.35 P ATOM 346 OP1 DT B 18 19.723 27.830 1.515 0.56 58.35 O ATOM 347 OP2 DT B 18 20.651 26.176 3.052 0.56 58.35 O ATOM 348 O5' DT B 18 18.004 26.458 2.663 0.56 58.35 O ATOM 349 C5' DT B 18 16.846 26.687 1.793 0.56 29.66 C ATOM 350 C4' DT B 18 15.549 26.697 2.645 0.56 29.66 C ATOM 351 O4' DT B 18 15.274 25.405 3.229 0.56 29.66 O ATOM 352 C3' DT B 18 15.550 27.620 3.890 0.56 29.66 C ATOM 353 O3' DT B 18 14.222 28.200 3.988 0.56 29.66 O ATOM 354 C2' DT B 18 15.971 26.660 4.988 0.56 29.66 C ATOM 355 C1' DT B 18 15.232 25.381 4.677 0.56 29.66 C ATOM 356 N1 DT B 18 15.781 24.165 5.277 0.56 8.01 N ATOM 357 C2 DT B 18 14.887 23.193 5.712 0.56 8.01 C ATOM 358 O2 DT B 18 13.645 23.222 5.676 0.56 8.01 O ATOM 359 N3 DT B 18 15.331 22.015 6.264 0.56 8.01 N ATOM 360 C4 DT B 18 16.662 21.791 6.433 0.56 8.01 C ATOM 361 O4 DT B 18 17.023 20.631 6.835 0.56 8.01 O ATOM 362 C5 DT B 18 17.549 22.802 6.019 0.56 8.01 C ATOM 363 C7 DT B 18 19.001 22.467 6.159 0.56 8.01 C ATOM 364 C6 DT B 18 17.110 23.915 5.363 0.56 8.01 C ATOM 365 P DT B 19 14.023 29.555 4.856 0.56 13.64 P ATOM 366 OP1 DT B 19 12.856 30.106 4.323 0.56 13.64 O ATOM 367 OP2 DT B 19 15.386 29.810 5.421 0.56 13.64 O ATOM 368 O5' DT B 19 13.457 28.554 6.277 0.56 13.64 O ATOM 369 C5' DT B 19 12.018 28.328 5.954 0.56 7.67 C ATOM 370 C4' DT B 19 11.408 27.387 6.938 0.56 7.67 C ATOM 371 O4' DT B 19 12.140 26.198 7.178 0.56 7.67 O ATOM 372 C3' DT B 19 11.188 27.923 8.381 0.56 7.67 C ATOM 373 O3' DT B 19 9.929 27.528 8.844 0.56 7.67 O ATOM 374 C2' DT B 19 12.301 27.204 9.161 0.56 7.67 C ATOM 375 C1' DT B 19 12.377 25.833 8.540 0.56 7.67 C ATOM 376 N1 DT B 19 13.567 24.999 8.769 0.56 3.52 N ATOM 377 C2 DT B 19 13.361 23.696 9.227 0.56 3.52 C ATOM 378 O2 DT B 19 12.248 23.180 9.413 0.56 3.52 O ATOM 379 N3 DT B 19 14.418 22.868 9.450 0.56 3.52 N ATOM 380 C4 DT B 19 15.709 23.334 9.273 0.56 3.52 C ATOM 381 O4 DT B 19 16.695 22.531 9.546 0.56 3.52 O ATOM 382 C5 DT B 19 15.865 24.690 8.918 0.56 3.52 C ATOM 383 C7 DT B 19 17.200 25.373 8.668 0.56 3.52 C ATOM 384 C6 DT B 19 14.808 25.474 8.688 0.56 3.52 C ATOM 385 P DT B 20 8.735 28.407 9.350 0.56 39.36 P ATOM 386 OP1 DT B 20 7.821 28.874 8.296 0.56 39.36 O ATOM 387 OP2 DT B 20 9.072 29.128 10.667 0.56 39.36 O ATOM 388 O5' DT B 20 7.793 27.262 10.076 0.56 39.36 O ATOM 389 C5' DT B 20 8.082 25.904 9.718 0.56 22.68 C ATOM 390 C4' DT B 20 8.234 25.039 10.918 0.56 22.68 C ATOM 391 O4' DT B 20 9.457 24.416 11.215 0.56 22.68 O ATOM 392 C3' DT B 20 7.877 25.716 12.237 0.56 22.68 C ATOM 393 O3' DT B 20 6.964 24.772 12.826 0.56 22.68 O ATOM 394 C2' DT B 20 9.206 25.835 12.936 0.56 22.68 C ATOM 395 C1' DT B 20 9.893 24.519 12.542 0.56 22.68 C ATOM 396 N1 DT B 20 11.342 24.450 12.594 0.56 13.97 N ATOM 397 C2 DT B 20 11.952 23.257 12.961 0.56 13.97 C ATOM 398 O2 DT B 20 11.466 22.145 13.181 0.56 13.97 O ATOM 399 N3 DT B 20 13.355 23.180 12.958 0.56 13.97 N ATOM 400 C4 DT B 20 14.019 24.326 12.676 0.56 13.97 C ATOM 401 O4 DT B 20 15.267 24.128 12.687 0.56 13.97 O ATOM 402 C5 DT B 20 13.415 25.537 12.298 0.56 13.97 C ATOM 403 C7 DT B 20 14.306 26.758 12.133 0.56 13.97 C ATOM 404 C6 DT B 20 12.076 25.557 12.245 0.56 13.97 C ATOM 405 P DT B 21 6.299 25.133 14.270 0.56 12.11 P ATOM 406 OP1 DT B 21 4.953 24.448 14.165 0.56 12.11 O ATOM 407 OP2 DT B 21 6.830 26.344 14.651 0.56 12.11 O ATOM 408 O5' DT B 21 7.476 24.210 15.105 0.56 12.11 O ATOM 409 C5' DT B 21 7.699 22.854 14.543 0.56 7.66 C ATOM 410 C4' DT B 21 8.348 22.004 15.605 0.56 7.66 C ATOM 411 O4' DT B 21 9.761 22.071 15.608 0.56 7.66 O ATOM 412 C3' DT B 21 7.906 22.319 17.017 0.56 7.66 C ATOM 413 O3' DT B 21 7.659 21.070 17.743 0.56 7.66 O ATOM 414 C2' DT B 21 9.129 23.072 17.548 0.56 7.66 C ATOM 415 C1' DT B 21 10.293 22.348 16.904 0.56 7.66 C ATOM 416 N1 DT B 21 11.552 23.022 16.702 0.56 2.00 N ATOM 417 C2 DT B 21 12.756 22.336 16.654 0.56 2.00 C ATOM 418 O2 DT B 21 12.768 21.153 16.979 0.56 2.00 O ATOM 419 N3 DT B 21 13.936 23.019 16.379 0.56 2.00 N ATOM 420 C4 DT B 21 13.838 24.359 16.123 0.56 2.00 C ATOM 421 O4 DT B 21 14.911 24.946 15.736 0.56 2.00 O ATOM 422 C5 DT B 21 12.620 25.011 16.001 0.56 2.00 C ATOM 423 C7 DT B 21 12.459 26.467 15.648 0.56 2.00 C ATOM 424 C6 DT B 21 11.516 24.317 16.306 0.56 2.00 C ATOM 425 P DG B 22 6.529 20.957 18.844 0.56 47.18 P ATOM 426 OP1 DG B 22 5.367 20.199 18.448 0.56 47.18 O ATOM 427 OP2 DG B 22 5.978 22.458 19.120 0.56 47.18 O ATOM 428 O5' DG B 22 7.357 20.770 20.179 0.56 47.18 O ATOM 429 C5' DG B 22 7.856 19.450 20.495 0.56 18.54 C ATOM 430 C4' DG B 22 9.111 19.511 21.380 0.56 18.54 C ATOM 431 O4' DG B 22 10.197 20.267 20.859 0.56 18.54 O ATOM 432 C3' DG B 22 8.902 20.137 22.732 0.56 18.54 C ATOM 433 O3' DG B 22 9.780 19.552 23.683 0.56 18.54 O ATOM 434 C2' DG B 22 9.463 21.566 22.588 0.56 18.54 C ATOM 435 C1' DG B 22 10.655 21.258 21.759 0.56 18.54 C ATOM 436 N9 DG B 22 11.273 22.432 21.105 0.56 3.37 N ATOM 437 C8 DG B 22 10.773 23.670 20.811 0.56 3.37 C ATOM 438 N7 DG B 22 11.623 24.477 20.225 0.56 3.37 N ATOM 439 C5 DG B 22 12.768 23.655 20.157 0.56 3.37 C ATOM 440 C6 DG B 22 14.076 23.999 19.713 0.56 3.37 C ATOM 441 O6 DG B 22 14.368 25.100 19.302 0.56 3.37 O ATOM 442 N1 DG B 22 14.942 23.006 19.856 0.56 3.37 N ATOM 443 C2 DG B 22 14.689 21.797 20.416 0.56 3.37 C ATOM 444 N2 DG B 22 15.765 21.043 20.542 0.56 3.37 N ATOM 445 N3 DG B 22 13.520 21.468 20.892 0.56 3.37 N ATOM 446 C4 DG B 22 12.623 22.465 20.739 0.56 3.37 C ATOM 447 P DC B 23 9.064 18.660 24.869 0.56 16.64 P ATOM 448 OP1 DC B 23 8.695 17.450 24.113 0.56 16.64 O ATOM 449 OP2 DC B 23 8.327 19.652 25.570 0.56 16.64 O ATOM 450 O5' DC B 23 10.610 18.507 25.703 0.56 16.64 O ATOM 451 C5' DC B 23 11.376 17.423 25.074 0.56 13.37 C ATOM 452 C4' DC B 23 12.830 17.580 25.490 0.56 13.37 C ATOM 453 O4' DC B 23 13.503 18.562 24.666 0.56 13.37 O ATOM 454 C3' DC B 23 12.961 18.029 26.937 0.56 13.37 C ATOM 455 O3' DC B 23 14.147 17.550 27.610 0.56 13.37 O ATOM 456 C2' DC B 23 13.112 19.514 26.726 0.56 13.37 C ATOM 457 C1' DC B 23 13.967 19.645 25.466 0.56 13.37 C ATOM 458 N1 DC B 23 13.749 21.027 24.954 0.56 17.04 N ATOM 459 C2 DC B 23 14.856 21.700 24.485 0.56 17.04 C ATOM 460 O2 DC B 23 15.972 21.193 24.428 0.56 17.04 O ATOM 461 N3 DC B 23 14.692 23.002 24.033 0.56 17.04 N ATOM 462 C4 DC B 23 13.478 23.580 24.096 0.56 17.04 C ATOM 463 N4 DC B 23 13.340 24.811 23.608 0.56 17.04 N ATOM 464 C5 DC B 23 12.319 22.878 24.567 0.56 17.04 C ATOM 465 C6 DC B 23 12.526 21.664 24.993 0.56 17.04 C ATOM 466 P DG B 24 14.359 17.607 29.175 0.56 18.29 P ATOM 467 OP1 DG B 24 14.553 16.321 29.815 0.56 18.29 O ATOM 468 OP2 DG B 24 13.323 18.626 29.811 0.56 18.29 O ATOM 469 O5' DG B 24 15.827 18.258 29.251 0.56 18.29 O ATOM 470 C5' DG B 24 16.865 17.528 28.554 0.56 2.00 C ATOM 471 C4' DG B 24 18.143 18.320 28.767 0.56 2.00 C ATOM 472 O4' DG B 24 18.329 19.325 27.772 0.56 2.00 O ATOM 473 C3' DG B 24 18.260 18.976 30.113 0.56 2.00 C ATOM 474 O3' DG B 24 19.555 19.030 30.690 0.56 2.00 O ATOM 475 C2' DG B 24 17.766 20.383 29.679 0.56 2.00 C ATOM 476 C1' DG B 24 18.367 20.612 28.298 0.56 2.00 C ATOM 477 N9 DG B 24 17.328 21.521 27.805 0.56 5.23 N ATOM 478 C8 DG B 24 16.002 21.372 28.191 0.56 5.23 C ATOM 479 N7 DG B 24 15.249 22.412 27.915 0.56 5.23 N ATOM 480 C5 DG B 24 16.164 23.342 27.369 0.56 5.23 C ATOM 481 C6 DG B 24 15.969 24.593 26.841 0.56 5.23 C ATOM 482 O6 DG B 24 14.854 25.111 26.723 0.56 5.23 O ATOM 483 N1 DG B 24 17.061 25.184 26.408 0.56 5.23 N ATOM 484 C2 DG B 24 18.283 24.647 26.395 0.56 5.23 C ATOM 485 N2 DG B 24 19.301 25.475 25.988 0.56 5.23 N ATOM 486 N3 DG B 24 18.511 23.482 26.956 0.56 5.23 N ATOM 487 C4 DG B 24 17.423 22.820 27.325 0.56 5.23 C TER 488 DG B 24 HETATM 489 MG MG A 50 9.997 13.331 8.404 1.00 55.37 MG HETATM 490 O HOH A 56 22.247 25.723 -10.735 1.00 37.61 O HETATM 491 O HOH A 58 10.977 25.635 -8.829 1.00 33.20 O HETATM 492 O HOH A 60 16.400 33.961 26.755 1.00 46.72 O HETATM 493 O HOH A 61 22.539 14.154 19.884 1.00 56.50 O HETATM 494 O HOH A 65 24.203 20.151 12.976 1.00 60.00 O HETATM 495 O HOH A 66 6.015 16.693 -1.857 1.00 55.78 O HETATM 496 O HOH A 71 23.158 22.355 -10.873 1.00 29.98 O HETATM 497 O HOH B 51 17.705 12.748 1.698 1.00 49.99 O HETATM 498 O HOH B 53 21.828 23.557 4.854 1.00 31.21 O HETATM 499 O HOH B 55 5.165 18.723 25.228 1.00 39.61 O ENDMDL MASTER 0 0 0 0 0 0 2 6 995 4 0 4 END