HEADER DNA 17-AUG-98 XXXX TITLE CRYSTAL STRUCTURE OF D(ACCCT) COMPND 5'-D(*AP*CP*CP*CP*T)-3' KEYWDS HUMAN TELOMERIC FRAGMENT EXPDTA X-RAY DIFFRACTION AUTHOR J.WEIL, T.MIN, C.YANG, S.WANG, C.SUTHERLAND, N.SINHA, AUTHOR 2 C.H.KANG JRNL AUTH J.WEIL, T.MIN, C.YANG, S.WANG, C.SUTHERLAND, JRNL AUTH 2 N.SINHA, C.KANG JRNL TITL STABILIZATION OF THE I-MOTIF BY INTRAMOLECULAR JRNL TITL 2 ADENINE-ADENINE-THYMINE BASE TRIPLE IN THE JRNL TITL 3 STRUCTURE OF D(ACCCT). JRNL REF ACTA CRYSTALLOGR., SECT.D V. 55 422 1999 JRNL REFN ASTM ABCRE6 DK ISSN 0907-4449 REMARK 1 SEQRES 1 A 5 DA DC DC DC DT SEQRES 1 B 5 DA DC DC DC DT SEQRES 1 C 5 DA DC DC DC DT SEQRES 1 D 5 DA DC DC DC DT FORMUL 5 HOH *51(H2 O) CRYST1 93.810 93.810 93.810 90.00 90.00 90.00 I 2 3 96 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 0.010660 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010660 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010660 0.00000 ATOM 1 N9 DA A 1 41.296 70.044 1.322 1.00 7.87 N ATOM 2 C8 DA A 1 40.263 70.174 2.213 1.00 9.64 C ATOM 3 N7 DA A 1 40.349 69.366 3.244 1.00 11.39 N ATOM 4 C5 DA A 1 41.511 68.649 3.008 1.00 7.98 C ATOM 5 C6 DA A 1 42.175 67.658 3.747 1.00 11.73 C ATOM 6 N6 DA A 1 41.750 67.200 4.926 1.00 13.79 N ATOM 7 N1 DA A 1 43.312 67.148 3.229 1.00 11.20 N ATOM 8 C2 DA A 1 43.748 67.615 2.053 1.00 11.17 C ATOM 9 N3 DA A 1 43.222 68.553 1.272 1.00 13.64 N ATOM 10 C4 DA A 1 42.092 69.039 1.815 1.00 10.09 C ATOM 11 O5' DA A 1 40.277 73.970 1.398 1.00 19.16 O ATOM 12 C5' DA A 1 41.328 74.291 0.479 1.00 14.40 C ATOM 13 C4' DA A 1 41.790 73.117 -0.354 1.00 14.29 C ATOM 14 O4' DA A 1 42.198 72.018 0.496 1.00 14.77 O ATOM 15 C3' DA A 1 40.744 72.546 -1.310 1.00 15.72 C ATOM 16 O3' DA A 1 41.374 72.239 -2.557 1.00 18.10 O ATOM 17 C2' DA A 1 40.280 71.279 -0.610 1.00 12.98 C ATOM 18 C1' DA A 1 41.537 70.825 0.108 1.00 10.56 C ATOM 19 P DC A 2 40.479 71.892 -3.843 1.00 16.97 P ATOM 20 N1 DC A 2 39.822 67.191 -0.716 1.00 12.80 N ATOM 21 C2 DC A 2 40.036 66.565 0.503 1.00 12.89 C ATOM 22 O2 DC A 2 41.026 65.822 0.628 1.00 12.55 O ATOM 23 N3 DC A 2 39.168 66.786 1.519 1.00 12.45 N ATOM 24 C4 DC A 2 38.131 67.611 1.343 1.00 9.21 C ATOM 25 N4 DC A 2 37.282 67.780 2.360 1.00 9.72 N ATOM 26 C5 DC A 2 37.913 68.291 0.117 1.00 9.76 C ATOM 27 C6 DC A 2 38.773 68.054 -0.878 1.00 14.72 C ATOM 28 OP1 DC A 2 41.213 72.338 -5.049 1.00 18.22 O ATOM 29 OP2 DC A 2 39.108 72.387 -3.590 1.00 21.01 O ATOM 30 O5' DC A 2 40.446 70.303 -3.859 1.00 18.98 O ATOM 31 C5' DC A 2 41.633 69.563 -4.108 1.00 15.03 C ATOM 32 C4' DC A 2 41.463 68.142 -3.635 1.00 14.13 C ATOM 33 O4' DC A 2 41.354 68.117 -2.203 1.00 15.89 O ATOM 34 C3' DC A 2 40.194 67.448 -4.111 1.00 14.81 C ATOM 35 O3' DC A 2 40.423 66.895 -5.405 1.00 21.44 O ATOM 36 C2' DC A 2 40.018 66.349 -3.075 1.00 12.30 C ATOM 37 C1' DC A 2 40.727 66.898 -1.827 1.00 14.86 C ATOM 38 P DC A 3 39.183 66.436 -6.311 1.00 20.59 P ATOM 39 N1 DC A 3 37.741 62.122 -3.126 1.00 15.29 N ATOM 40 C2 DC A 3 37.391 61.506 -1.923 1.00 13.09 C ATOM 41 O2 DC A 3 38.109 60.593 -1.484 1.00 13.85 O ATOM 42 N3 DC A 3 36.286 61.924 -1.269 1.00 14.59 N ATOM 43 C4 DC A 3 35.552 62.922 -1.766 1.00 11.21 C ATOM 44 N4 DC A 3 34.464 63.290 -1.090 1.00 16.08 N ATOM 45 C5 DC A 3 35.900 63.583 -2.976 1.00 9.98 C ATOM 46 C6 DC A 3 36.993 63.157 -3.618 1.00 15.76 C ATOM 47 OP1 DC A 3 39.558 66.711 -7.717 1.00 23.04 O ATOM 48 OP2 DC A 3 37.945 67.033 -5.756 1.00 26.15 O ATOM 49 O5' DC A 3 39.127 64.861 -6.085 1.00 17.88 O ATOM 50 C5' DC A 3 40.319 64.085 -6.109 1.00 15.58 C ATOM 51 C4' DC A 3 40.050 62.692 -5.591 1.00 13.26 C ATOM 52 O4' DC A 3 39.724 62.747 -4.190 1.00 15.55 O ATOM 53 C3' DC A 3 38.859 61.982 -6.213 1.00 16.88 C ATOM 54 O3' DC A 3 39.239 61.370 -7.444 1.00 21.67 O ATOM 55 C2' DC A 3 38.552 60.927 -5.168 1.00 13.71 C ATOM 56 C1' DC A 3 38.913 61.626 -3.857 1.00 12.36 C ATOM 57 P DC A 4 38.115 60.998 -8.530 1.00 22.71 P ATOM 58 N1 DC A 4 35.173 57.186 -5.806 1.00 17.70 N ATOM 59 C2 DC A 4 34.496 56.816 -4.647 1.00 16.70 C ATOM 60 O2 DC A 4 34.953 55.893 -3.958 1.00 16.20 O ATOM 61 N3 DC A 4 33.362 57.473 -4.305 1.00 16.64 N ATOM 62 C4 DC A 4 32.909 58.465 -5.077 1.00 15.08 C ATOM 63 N4 DC A 4 31.783 59.085 -4.710 1.00 17.12 N ATOM 64 C5 DC A 4 33.586 58.867 -6.259 1.00 16.28 C ATOM 65 C6 DC A 4 34.705 58.208 -6.583 1.00 19.36 C ATOM 66 OP1 DC A 4 38.771 61.069 -9.850 1.00 26.31 O ATOM 67 OP2 DC A 4 36.903 61.814 -8.270 1.00 28.96 O ATOM 68 O5' DC A 4 37.759 59.482 -8.213 1.00 22.71 O ATOM 69 C5' DC A 4 38.781 58.545 -7.897 1.00 20.40 C ATOM 70 C4' DC A 4 38.167 57.230 -7.483 1.00 22.16 C ATOM 71 O4' DC A 4 37.457 57.390 -6.240 1.00 22.54 O ATOM 72 C3' DC A 4 37.116 56.696 -8.442 1.00 24.62 C ATOM 73 O3' DC A 4 37.750 55.958 -9.483 1.00 31.73 O ATOM 74 C2' DC A 4 36.304 55.778 -7.548 1.00 22.50 C ATOM 75 C1' DC A 4 36.388 56.453 -6.180 1.00 17.31 C TER 76 DC A 4 ATOM 77 N9 DA B 6 43.832 63.917 8.001 1.00 29.63 N ATOM 78 C8 DA B 6 42.885 64.715 7.402 1.00 21.91 C ATOM 79 N7 DA B 6 43.263 65.208 6.249 1.00 22.26 N ATOM 80 C5 DA B 6 44.548 64.709 6.074 1.00 20.80 C ATOM 81 C6 DA B 6 45.489 64.847 5.033 1.00 17.22 C ATOM 82 N6 DA B 6 45.259 65.523 3.907 1.00 15.57 N ATOM 83 N1 DA B 6 46.687 64.243 5.186 1.00 19.50 N ATOM 84 C2 DA B 6 46.912 63.532 6.300 1.00 21.12 C ATOM 85 N3 DA B 6 46.104 63.310 7.335 1.00 25.62 N ATOM 86 C4 DA B 6 44.921 63.933 7.157 1.00 27.40 C ATOM 87 O5' DA B 6 39.638 60.826 9.386 1.00 29.83 O ATOM 88 C5' DA B 6 40.901 61.076 8.746 1.00 32.59 C ATOM 89 C4' DA B 6 41.912 61.716 9.671 1.00 34.35 C ATOM 90 O4' DA B 6 43.161 61.895 8.967 1.00 34.90 O ATOM 91 C3' DA B 6 41.520 63.104 10.166 1.00 42.50 C ATOM 92 O3' DA B 6 40.858 63.001 11.433 1.00 53.95 O ATOM 93 C2' DA B 6 42.852 63.816 10.321 1.00 38.31 C ATOM 94 C1' DA B 6 43.730 63.170 9.259 1.00 32.79 C ATOM 95 P DC B 7 39.743 64.088 11.841 1.00 57.67 P ATOM 96 N1 DC B 7 38.413 64.211 5.758 1.00 15.27 N ATOM 97 C2 DC B 7 38.330 65.101 4.691 1.00 11.38 C ATOM 98 O2 DC B 7 37.321 65.811 4.585 1.00 16.05 O ATOM 99 N3 DC B 7 39.347 65.169 3.805 1.00 13.56 N ATOM 100 C4 DC B 7 40.415 64.385 3.955 1.00 11.25 C ATOM 101 N4 DC B 7 41.388 64.470 3.042 1.00 16.67 N ATOM 102 C5 DC B 7 40.532 63.477 5.042 1.00 10.87 C ATOM 103 C6 DC B 7 39.519 63.422 5.913 1.00 12.58 C ATOM 104 OP1 DC B 7 40.433 65.366 12.173 1.00 59.42 O ATOM 105 OP2 DC B 7 38.848 63.450 12.848 1.00 60.36 O ATOM 106 O5' DC B 7 38.916 64.313 10.496 1.00 51.64 O ATOM 107 C5' DC B 7 38.090 63.282 9.951 1.00 37.90 C ATOM 108 C4' DC B 7 37.069 63.887 9.018 1.00 30.80 C ATOM 109 O4' DC B 7 37.759 64.590 7.960 1.00 27.51 O ATOM 110 C3' DC B 7 36.132 62.900 8.326 1.00 27.06 C ATOM 111 O3' DC B 7 34.834 63.492 8.219 1.00 28.70 O ATOM 112 C2' DC B 7 36.753 62.744 6.951 1.00 21.78 C ATOM 113 C1' DC B 7 37.292 64.138 6.703 1.00 18.20 C ATOM 114 P DC B 8 33.531 62.624 8.570 1.00 26.09 P ATOM 115 N1 DC B 8 34.187 60.517 2.965 1.00 13.22 N ATOM 116 C2 DC B 8 34.531 61.134 1.761 1.00 10.17 C ATOM 117 O2 DC B 8 33.787 62.018 1.307 1.00 14.95 O ATOM 118 N3 DC B 8 35.659 60.756 1.121 1.00 9.19 N ATOM 119 C4 DC B 8 36.424 59.792 1.636 1.00 9.27 C ATOM 120 N4 DC B 8 37.525 59.443 0.964 1.00 15.08 N ATOM 121 C5 DC B 8 36.094 59.140 2.858 1.00 10.71 C ATOM 122 C6 DC B 8 34.975 59.531 3.485 1.00 11.55 C ATOM 123 OP1 DC B 8 32.330 63.369 8.110 1.00 29.97 O ATOM 124 OP2 DC B 8 33.633 62.211 9.990 1.00 32.25 O ATOM 125 O5' DC B 8 33.714 61.319 7.674 1.00 30.69 O ATOM 126 C5' DC B 8 32.589 60.629 7.137 1.00 23.69 C ATOM 127 C4' DC B 8 32.179 61.248 5.822 1.00 20.87 C ATOM 128 O4' DC B 8 33.330 61.362 4.957 1.00 20.34 O ATOM 129 C3' DC B 8 31.144 60.435 5.045 1.00 21.37 C ATOM 130 O3' DC B 8 30.115 61.308 4.595 1.00 24.16 O ATOM 131 C2' DC B 8 31.923 59.881 3.864 1.00 20.21 C ATOM 132 C1' DC B 8 32.966 60.956 3.657 1.00 17.01 C ATOM 133 P DC B 9 28.625 60.751 4.426 1.00 24.21 P ATOM 134 N1 DC B 9 30.226 57.011 -0.654 1.00 13.93 N ATOM 135 C2 DC B 9 30.984 57.396 -1.758 1.00 10.26 C ATOM 136 O2 DC B 9 30.587 58.335 -2.459 1.00 18.89 O ATOM 137 N3 DC B 9 32.129 56.737 -2.038 1.00 11.02 N ATOM 138 C4 DC B 9 32.527 55.733 -1.258 1.00 10.46 C ATOM 139 N4 DC B 9 33.651 55.094 -1.587 1.00 14.36 N ATOM 140 C5 DC B 9 31.786 55.334 -0.109 1.00 12.69 C ATOM 141 C6 DC B 9 30.652 55.997 0.155 1.00 14.63 C ATOM 142 OP1 DC B 9 27.725 61.905 4.178 1.00 24.04 O ATOM 143 OP2 DC B 9 28.362 59.841 5.572 1.00 25.20 O ATOM 144 O5' DC B 9 28.717 59.883 3.094 1.00 28.24 O ATOM 145 C5' DC B 9 27.805 58.824 2.839 1.00 22.43 C ATOM 146 C4' DC B 9 27.739 58.551 1.355 1.00 19.19 C ATOM 147 O4' DC B 9 29.070 58.377 0.842 1.00 18.24 O ATOM 148 C3' DC B 9 27.005 57.267 0.978 1.00 19.90 C ATOM 149 O3' DC B 9 25.641 57.560 0.660 1.00 21.57 O ATOM 150 C2' DC B 9 27.753 56.770 -0.255 1.00 16.87 C ATOM 151 C1' DC B 9 28.955 57.703 -0.392 1.00 16.29 C ATOM 152 P DT B 10 24.470 57.072 1.645 1.00 20.02 P ATOM 153 N1 DT B 10 25.627 53.111 -0.970 1.00 11.32 N ATOM 154 C2 DT B 10 26.461 52.457 -1.840 1.00 8.03 C ATOM 155 O2 DT B 10 26.963 51.376 -1.593 1.00 14.05 O ATOM 156 N3 DT B 10 26.689 53.120 -3.019 1.00 9.12 N ATOM 157 C4 DT B 10 26.167 54.340 -3.409 1.00 12.13 C ATOM 158 O4 DT B 10 26.472 54.817 -4.503 1.00 19.35 O ATOM 159 C5 DT B 10 25.283 54.962 -2.456 1.00 9.43 C ATOM 160 C6 DT B 10 25.059 54.325 -1.300 1.00 11.76 C ATOM 161 OP1 DT B 10 23.203 57.612 1.088 1.00 25.14 O ATOM 162 OP2 DT B 10 24.850 57.390 3.043 1.00 24.66 O ATOM 163 O5' DT B 10 24.471 55.488 1.485 1.00 21.30 O ATOM 164 C5' DT B 10 23.667 54.662 2.324 1.00 16.44 C ATOM 165 C4' DT B 10 24.064 53.215 2.160 1.00 12.56 C ATOM 166 O4' DT B 10 24.071 52.884 0.752 1.00 13.10 O ATOM 167 C3' DT B 10 25.462 52.888 2.674 1.00 6.96 C ATOM 168 O3' DT B 10 25.492 51.573 3.195 1.00 14.45 O ATOM 169 C2' DT B 10 26.317 52.956 1.426 1.00 11.89 C ATOM 170 C1' DT B 10 25.367 52.488 0.339 1.00 10.93 C ATOM 171 C7 DT B 10 24.660 56.277 -2.799 1.00 9.61 C TER 172 DT B 10 ATOM 173 N9 DA C 11 24.072 54.342 -6.507 1.00 11.61 N ATOM 174 C8 DA C 11 23.286 54.203 -5.392 1.00 11.91 C ATOM 175 N7 DA C 11 23.471 53.071 -4.754 1.00 13.74 N ATOM 176 C5 DA C 11 24.435 52.417 -5.508 1.00 5.68 C ATOM 177 C6 DA C 11 25.059 51.168 -5.365 1.00 7.35 C ATOM 178 N6 DA C 11 24.840 50.339 -4.337 1.00 10.48 N ATOM 179 N1 DA C 11 25.935 50.791 -6.323 1.00 10.49 N ATOM 180 C2 DA C 11 26.172 51.627 -7.338 1.00 9.02 C ATOM 181 N3 DA C 11 25.664 52.835 -7.570 1.00 11.92 N ATOM 182 C4 DA C 11 24.795 53.178 -6.604 1.00 8.59 C ATOM 183 O5' DA C 11 26.501 54.120 -9.692 1.00 19.61 O ATOM 184 C5' DA C 11 25.770 55.090 -10.450 1.00 15.82 C ATOM 185 C4' DA C 11 24.844 55.919 -9.591 1.00 19.15 C ATOM 186 O4' DA C 11 24.083 55.039 -8.731 1.00 22.34 O ATOM 187 C3' DA C 11 25.540 56.921 -8.663 1.00 19.66 C ATOM 188 O3' DA C 11 24.799 58.147 -8.624 1.00 25.80 O ATOM 189 C2' DA C 11 25.477 56.245 -7.306 1.00 18.51 C ATOM 190 C1' DA C 11 24.157 55.501 -7.395 1.00 16.13 C ATOM 191 P DC C 12 25.577 59.556 -8.627 1.00 27.18 P ATOM 192 N1 DC C 12 28.430 57.760 -4.860 1.00 16.18 N ATOM 193 C2 DC C 12 29.193 56.668 -4.438 1.00 15.71 C ATOM 194 O2 DC C 12 28.955 56.167 -3.332 1.00 15.56 O ATOM 195 N3 DC C 12 30.170 56.188 -5.244 1.00 15.43 N ATOM 196 C4 DC C 12 30.394 56.759 -6.428 1.00 14.29 C ATOM 197 N4 DC C 12 31.387 56.274 -7.176 1.00 16.37 N ATOM 198 C5 DC C 12 29.615 57.860 -6.894 1.00 14.04 C ATOM 199 C6 DC C 12 28.654 58.324 -6.085 1.00 13.04 C ATOM 200 OP1 DC C 12 24.590 60.613 -8.964 1.00 25.45 O ATOM 201 OP2 DC C 12 26.798 59.399 -9.455 1.00 24.21 O ATOM 202 O5' DC C 12 26.022 59.758 -7.110 1.00 26.55 O ATOM 203 C5' DC C 12 25.048 59.941 -6.082 1.00 24.94 C ATOM 204 C4' DC C 12 25.663 59.681 -4.727 1.00 22.18 C ATOM 205 O4' DC C 12 26.173 58.334 -4.684 1.00 21.10 O ATOM 206 C3' DC C 12 26.855 60.570 -4.396 1.00 24.99 C ATOM 207 O3' DC C 12 26.394 61.758 -3.745 1.00 29.41 O ATOM 208 C2' DC C 12 27.659 59.702 -3.445 1.00 19.90 C ATOM 209 C1' DC C 12 27.394 58.290 -3.959 1.00 19.31 C ATOM 210 P DC C 13 27.348 63.047 -3.654 1.00 26.05 P ATOM 211 N1 DC C 13 31.285 61.088 -0.808 1.00 15.35 N ATOM 212 C2 DC C 13 32.340 60.173 -0.685 1.00 16.07 C ATOM 213 O2 DC C 13 32.389 59.443 0.321 1.00 16.81 O ATOM 214 N3 DC C 13 33.272 60.103 -1.667 1.00 16.38 N ATOM 215 C4 DC C 13 33.172 60.894 -2.739 1.00 13.15 C ATOM 216 N4 DC C 13 34.122 60.804 -3.672 1.00 13.64 N ATOM 217 C5 DC C 13 32.095 61.814 -2.901 1.00 10.92 C ATOM 218 C6 DC C 13 31.183 61.878 -1.920 1.00 13.47 C ATOM 219 OP1 DC C 13 26.465 64.236 -3.605 1.00 31.59 O ATOM 220 OP2 DC C 13 28.382 62.943 -4.712 1.00 28.53 O ATOM 221 O5' DC C 13 28.053 62.888 -2.238 1.00 25.46 O ATOM 222 C5' DC C 13 27.289 62.566 -1.079 1.00 18.76 C ATOM 223 C4' DC C 13 28.206 62.224 0.071 1.00 18.95 C ATOM 224 O4' DC C 13 29.003 61.074 -0.282 1.00 18.96 O ATOM 225 C3' DC C 13 29.215 63.313 0.418 1.00 18.58 C ATOM 226 O3' DC C 13 28.645 64.218 1.375 1.00 25.97 O ATOM 227 C2' DC C 13 30.347 62.518 1.037 1.00 16.99 C ATOM 228 C1' DC C 13 30.303 61.190 0.285 1.00 16.38 C ATOM 229 P DC C 14 29.288 65.680 1.584 1.00 26.83 P ATOM 230 N1 DC C 14 34.304 64.722 3.249 1.00 14.79 N ATOM 231 C2 DC C 14 35.486 64.025 3.042 1.00 15.52 C ATOM 232 O2 DC C 14 35.856 63.214 3.902 1.00 18.20 O ATOM 233 N3 DC C 14 36.199 64.244 1.912 1.00 15.51 N ATOM 234 C4 DC C 14 35.758 65.120 1.009 1.00 10.01 C ATOM 235 N4 DC C 14 36.504 65.317 -0.079 1.00 10.60 N ATOM 236 C5 DC C 14 34.538 65.835 1.185 1.00 10.58 C ATOM 237 C6 DC C 14 33.849 65.608 2.312 1.00 13.47 C ATOM 238 OP1 DC C 14 28.238 66.574 2.126 1.00 29.32 O ATOM 239 OP2 DC C 14 30.002 66.065 0.339 1.00 27.31 O ATOM 240 O5' DC C 14 30.380 65.453 2.720 1.00 27.16 O ATOM 241 C5' DC C 14 30.038 64.843 3.962 1.00 16.21 C ATOM 242 C4' DC C 14 31.262 64.754 4.844 1.00 16.65 C ATOM 243 O4' DC C 14 32.274 64.006 4.146 1.00 19.36 O ATOM 244 C3' DC C 14 31.910 66.098 5.155 1.00 20.21 C ATOM 245 O3' DC C 14 31.356 66.626 6.364 1.00 24.60 O ATOM 246 C2' DC C 14 33.372 65.739 5.347 1.00 17.18 C ATOM 247 C1' DC C 14 33.565 64.489 4.493 1.00 17.51 C ATOM 248 P DT C 15 31.769 68.098 6.867 1.00 21.05 P ATOM 249 N1 DT C 15 37.029 68.264 6.797 1.00 13.64 N ATOM 250 C2 DT C 15 38.241 68.338 6.157 1.00 15.55 C ATOM 251 O2 DT C 15 39.205 67.650 6.463 1.00 15.77 O ATOM 252 N3 DT C 15 38.286 69.250 5.133 1.00 13.45 N ATOM 253 C4 DT C 15 37.262 70.067 4.695 1.00 13.17 C ATOM 254 O4 DT C 15 37.456 70.847 3.771 1.00 19.96 O ATOM 255 C5 DT C 15 36.016 69.922 5.400 1.00 13.06 C ATOM 256 C6 DT C 15 35.962 69.042 6.404 1.00 13.51 C ATOM 257 OP1 DT C 15 30.840 68.462 7.962 1.00 31.34 O ATOM 258 OP2 DT C 15 31.886 68.990 5.687 1.00 23.57 O ATOM 259 O5' DT C 15 33.210 67.877 7.506 1.00 22.73 O ATOM 260 C5' DT C 15 33.378 67.051 8.656 1.00 18.62 C ATOM 261 C4' DT C 15 34.843 66.946 9.012 1.00 20.77 C ATOM 262 O4' DT C 15 35.613 66.703 7.816 1.00 19.81 O ATOM 263 C3' DT C 15 35.459 68.204 9.612 1.00 20.95 C ATOM 264 O3' DT C 15 35.267 68.274 11.025 1.00 27.66 O ATOM 265 C2' DT C 15 36.928 68.018 9.291 1.00 18.30 C ATOM 266 C1' DT C 15 36.889 67.331 7.928 1.00 16.79 C ATOM 267 C7 DT C 15 34.844 70.754 4.982 1.00 10.76 C TER 268 DT C 15 ATOM 269 N9 DA D 16 31.626 50.125 -6.608 1.00 21.42 N ATOM 270 C8 DA D 16 31.795 51.067 -7.585 1.00 17.29 C ATOM 271 N7 DA D 16 30.904 52.025 -7.558 1.00 18.94 N ATOM 272 C5 DA D 16 30.085 51.689 -6.489 1.00 16.37 C ATOM 273 C6 DA D 16 29.060 52.392 -5.842 1.00 12.46 C ATOM 274 N6 DA D 16 28.553 53.546 -6.294 1.00 14.36 N ATOM 275 N1 DA D 16 28.565 51.867 -4.700 1.00 12.13 N ATOM 276 C2 DA D 16 29.071 50.711 -4.253 1.00 9.66 C ATOM 277 N3 DA D 16 30.035 49.959 -4.771 1.00 15.21 N ATOM 278 C4 DA D 16 30.511 50.511 -5.901 1.00 16.40 C ATOM 279 O5' DA D 16 30.567 47.726 -3.817 1.00 38.03 O ATOM 280 C5' DA D 16 30.947 46.552 -4.528 1.00 36.86 C ATOM 281 C4' DA D 16 32.090 46.826 -5.478 1.00 39.66 C ATOM 282 O4' DA D 16 31.663 47.798 -6.462 1.00 37.91 O ATOM 283 C3' DA D 16 33.330 47.430 -4.818 1.00 40.42 C ATOM 284 O3' DA D 16 34.500 47.035 -5.548 1.00 47.01 O ATOM 285 C2' DA D 16 33.095 48.918 -4.978 1.00 35.72 C ATOM 286 C1' DA D 16 32.472 48.961 -6.363 1.00 31.35 C ATOM 287 P DC D 17 35.963 47.433 -5.000 1.00 48.22 P ATOM 288 N1 DC D 17 33.702 52.854 -4.794 1.00 18.26 N ATOM 289 C2 DC D 17 32.811 53.851 -5.199 1.00 15.16 C ATOM 290 O2 DC D 17 33.070 54.509 -6.214 1.00 16.05 O ATOM 291 N3 DC D 17 31.689 54.072 -4.478 1.00 13.14 N ATOM 292 C4 DC D 17 31.439 53.338 -3.395 1.00 13.37 C ATOM 293 N4 DC D 17 30.312 53.582 -2.720 1.00 14.40 N ATOM 294 C5 DC D 17 32.332 52.318 -2.955 1.00 15.36 C ATOM 295 C6 DC D 17 33.443 52.113 -3.677 1.00 17.26 C ATOM 296 OP1 DC D 17 36.960 46.673 -5.805 1.00 48.70 O ATOM 297 OP2 DC D 17 35.947 47.293 -3.517 1.00 50.14 O ATOM 298 O5' DC D 17 36.108 48.983 -5.349 1.00 47.28 O ATOM 299 C5' DC D 17 36.050 49.438 -6.700 1.00 38.30 C ATOM 300 C4' DC D 17 36.023 50.947 -6.746 1.00 32.77 C ATOM 301 O4' DC D 17 34.725 51.435 -6.341 1.00 31.77 O ATOM 302 C3' DC D 17 37.041 51.639 -5.837 1.00 34.28 C ATOM 303 O3' DC D 17 37.825 52.551 -6.618 1.00 39.39 O ATOM 304 C2' DC D 17 36.184 52.377 -4.815 1.00 27.25 C ATOM 305 C1' DC D 17 34.913 52.622 -5.596 1.00 26.20 C ATOM 306 P DC D 18 39.288 52.989 -6.108 1.00 42.51 P ATOM 307 N1 DC D 18 37.160 57.460 -2.002 1.00 14.25 N ATOM 308 C2 DC D 18 36.094 58.340 -2.145 1.00 11.27 C ATOM 309 O2 DC D 18 36.069 59.096 -3.127 1.00 14.60 O ATOM 310 N3 DC D 18 35.111 58.346 -1.221 1.00 11.34 N ATOM 311 C4 DC D 18 35.169 57.512 -0.186 1.00 9.73 C ATOM 312 N4 DC D 18 34.181 57.565 0.712 1.00 12.42 N ATOM 313 C5 DC D 18 36.238 56.592 -0.020 1.00 9.48 C ATOM 314 C6 DC D 18 37.205 56.599 -0.942 1.00 11.19 C ATOM 315 OP1 DC D 18 39.831 53.962 -7.096 1.00 42.54 O ATOM 316 OP2 DC D 18 40.060 51.759 -5.783 1.00 41.89 O ATOM 317 O5' DC D 18 38.996 53.738 -4.730 1.00 42.21 O ATOM 318 C5' DC D 18 39.978 54.564 -4.111 1.00 30.24 C ATOM 319 C4' DC D 18 39.569 56.014 -4.210 1.00 26.85 C ATOM 320 O4' DC D 18 38.267 56.202 -3.621 1.00 26.65 O ATOM 321 C3' DC D 18 40.502 57.003 -3.510 1.00 27.55 C ATOM 322 O3' DC D 18 40.933 57.967 -4.464 1.00 32.25 O ATOM 323 C2' DC D 18 39.630 57.666 -2.454 1.00 23.77 C ATOM 324 C1' DC D 18 38.235 57.475 -3.010 1.00 21.21 C ATOM 325 P DC D 19 42.391 58.613 -4.334 1.00 33.90 P ATOM 326 N1 DC D 19 40.345 62.493 0.121 1.00 13.13 N ATOM 327 C2 DC D 19 39.153 63.162 0.411 1.00 11.73 C ATOM 328 O2 DC D 19 38.748 64.030 -0.377 1.00 14.17 O ATOM 329 N3 DC D 19 38.471 62.843 1.535 1.00 12.17 N ATOM 330 C4 DC D 19 38.937 61.891 2.349 1.00 10.86 C ATOM 331 N4 DC D 19 38.231 61.608 3.447 1.00 13.63 N ATOM 332 C5 DC D 19 40.145 61.188 2.073 1.00 10.52 C ATOM 333 C6 DC D 19 40.812 61.519 0.959 1.00 13.60 C ATOM 334 OP1 DC D 19 42.600 59.466 -5.534 1.00 34.98 O ATOM 335 OP2 DC D 19 43.361 57.533 -4.012 1.00 35.82 O ATOM 336 O5' DC D 19 42.282 59.544 -3.050 1.00 33.56 O ATOM 337 C5' DC D 19 43.154 60.654 -2.877 1.00 24.17 C ATOM 338 C4' DC D 19 42.349 61.925 -2.784 1.00 17.22 C ATOM 339 O4' DC D 19 41.246 61.708 -1.878 1.00 14.89 O ATOM 340 C3' DC D 19 43.119 63.129 -2.238 1.00 17.02 C ATOM 341 O3' DC D 19 42.889 64.257 -3.083 1.00 19.63 O ATOM 342 C2' DC D 19 42.487 63.367 -0.875 1.00 15.98 C ATOM 343 C1' DC D 19 41.081 62.865 -1.097 1.00 15.29 C ATOM 344 P DT D 20 44.120 64.974 -3.819 1.00 15.41 P ATOM 345 N1 DT D 20 47.454 68.845 -4.148 1.00 14.78 N ATOM 346 C2 DT D 20 48.630 69.539 -4.348 1.00 13.26 C ATOM 347 O2 DT D 20 49.107 70.296 -3.522 1.00 15.97 O ATOM 348 N3 DT D 20 49.227 69.315 -5.561 1.00 15.15 N ATOM 349 C4 DT D 20 48.773 68.497 -6.578 1.00 14.67 C ATOM 350 O4 DT D 20 49.434 68.378 -7.605 1.00 18.52 O ATOM 351 C5 DT D 20 47.519 67.830 -6.317 1.00 13.99 C ATOM 352 C6 DT D 20 46.936 68.026 -5.128 1.00 15.41 C ATOM 353 OP1 DT D 20 43.661 65.387 -5.168 1.00 18.34 O ATOM 354 OP2 DT D 20 45.309 64.106 -3.687 1.00 20.54 O ATOM 355 O5' DT D 20 44.350 66.295 -2.962 1.00 18.81 O ATOM 356 C5' DT D 20 44.968 66.250 -1.680 1.00 14.06 C ATOM 357 C4' DT D 20 45.617 67.580 -1.373 1.00 13.42 C ATOM 358 O4' DT D 20 46.788 67.732 -2.208 1.00 12.89 O ATOM 359 C3' DT D 20 44.734 68.797 -1.655 1.00 13.95 C ATOM 360 O3' DT D 20 44.873 69.740 -0.600 1.00 16.43 O ATOM 361 C2' DT D 20 45.294 69.360 -2.948 1.00 13.32 C ATOM 362 C1' DT D 20 46.761 68.990 -2.852 1.00 14.08 C ATOM 363 C7 DT D 20 46.924 66.960 -7.380 1.00 14.94 C TER 364 DT D 20 HETATM 365 O HOH E 21 32.020 57.731 -9.760 1.00 20.43 O HETATM 366 O HOH E 22 29.856 52.750 1.811 1.00 32.88 O HETATM 367 O HOH E 23 34.562 53.108 0.012 1.00 28.18 O HETATM 368 O HOH E 25 34.586 62.468 -6.071 1.00 30.71 O HETATM 369 O HOH E 26 34.393 55.672 2.792 1.00 39.16 O HETATM 370 O HOH E 27 39.350 57.392 2.131 1.00 23.87 O HETATM 371 O HOH E 28 32.180 65.357 -1.673 1.00 24.28 O HETATM 372 O HOH E 30 35.122 67.163 -2.140 1.00 22.65 O HETATM 373 O HOH E 31 43.679 62.771 2.982 1.00 20.17 O HETATM 374 O HOH E 32 34.749 69.336 1.610 1.00 24.17 O HETATM 375 O HOH E 33 43.542 63.972 -7.483 1.00 22.36 O HETATM 376 O HOH E 36 37.228 65.174 -9.901 1.00 52.57 O HETATM 377 O HOH E 37 32.324 68.775 2.852 1.00 25.14 O HETATM 378 O HOH E 38 28.919 54.997 -8.665 1.00 26.83 O HETATM 379 O HOH E 39 34.625 59.193 -10.268 1.00 32.85 O HETATM 380 O HOH E 40 38.578 59.269 -12.462 1.00 40.02 O HETATM 381 O HOH E 41 43.505 61.243 5.960 1.00 32.66 O HETATM 382 O HOH E 42 29.078 57.376 6.234 1.00 46.96 O HETATM 383 O HOH E 43 28.677 55.079 3.352 1.00 7.88 O HETATM 384 O HOH E 44 45.861 64.336 1.108 1.00 11.11 O HETATM 385 O HOH E 45 43.566 67.947 -6.301 1.00 18.27 O HETATM 386 O HOH E 46 40.342 66.275 8.633 1.00 21.27 O HETATM 387 O HOH E 47 36.388 72.864 2.270 1.00 42.30 O HETATM 388 O HOH E 48 41.724 68.741 -7.968 1.00 19.90 O HETATM 389 O HOH E 49 39.346 68.290 12.118 1.00 29.75 O HETATM 390 O HOH E 50 44.610 73.741 1.674 1.00 28.93 O HETATM 391 O HOH E 51 26.172 56.028 4.854 1.00 25.13 O HETATM 392 O HOH E 53 28.686 51.980 -11.395 1.00 43.70 O HETATM 393 O HOH E 54 25.195 59.487 -1.272 1.00 28.42 O HETATM 394 O HOH E 55 25.139 47.113 1.335 1.00 28.41 O HETATM 395 O HOH E 56 27.095 49.491 1.971 1.00 24.40 O HETATM 396 O HOH E 57 41.528 76.313 -3.165 1.00 40.80 O HETATM 397 O HOH E 58 40.902 71.187 -7.489 1.00 25.85 O HETATM 398 O HOH E 62 40.948 65.077 -9.809 1.00 39.17 O HETATM 399 O HOH E 63 34.287 57.348 5.906 1.00 49.62 O HETATM 400 O HOH E 64 41.099 74.895 -5.897 1.00 40.07 O HETATM 401 O HOH E 66 35.636 65.309 -6.377 1.00 48.27 O HETATM 402 O HOH E 67 39.403 59.784 5.301 1.00 26.71 O HETATM 403 O HOH E 68 37.053 70.463 -2.508 1.00 34.72 O HETATM 404 O HOH E 69 40.272 54.885 -0.068 1.00 37.86 O HETATM 405 O HOH E 70 35.790 64.984 12.411 1.00 44.19 O HETATM 406 O HOH E 71 22.534 59.268 -2.930 1.00 49.88 O HETATM 407 O HOH E 72 42.898 57.364 -0.629 1.00 44.82 O HETATM 408 O HOH E 73 30.222 61.093 -5.986 1.00 22.66 O HETATM 409 O HOH E 74 28.966 60.983 -8.370 1.00 40.01 O HETATM 410 O HOH E 76 38.407 76.039 1.172 1.00 36.89 O HETATM 411 O HOH E 77 31.501 71.988 5.887 1.00 49.99 O HETATM 412 O HOH E 79 28.539 69.292 3.688 1.00 44.53 O HETATM 413 O HOH E 80 28.402 63.834 7.147 1.00 55.61 O HETATM 414 O HOH E 81 36.811 58.896 7.089 1.00 49.11 O HETATM 415 O HOH E 82 31.114 61.143 11.602 1.00 62.01 O MASTER 0 0 0 0 0 0 0 6 411 4 0 4 END