USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 48:sc= 0.535 USER MOD Single : A 8 DT C7 :methyl 150:sc= -1.82 (180deg=-1.82) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 116:sc= 0.475 USER MOD Single : B 8 DT C7 :methyl 150:sc= -1.87 (180deg=-1.87) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.226 6.856 11.300 1.00 0.00 O ATOM 2 C5' DG A 1 8.104 6.697 10.431 1.00 0.00 C ATOM 3 C4' DG A 1 8.407 5.719 9.320 1.00 0.00 C ATOM 4 O4' DG A 1 8.659 4.425 9.923 1.00 0.00 O ATOM 5 C3' DG A 1 7.228 5.454 8.332 1.00 0.00 C ATOM 6 O3' DG A 1 6.840 6.368 7.309 1.00 0.00 O ATOM 7 C2' DG A 1 7.744 4.181 7.733 1.00 0.00 C ATOM 8 C1' DG A 1 7.900 3.551 9.091 1.00 0.00 C ATOM 9 N9 DG A 1 6.644 3.102 9.673 1.00 0.00 N ATOM 10 C8 DG A 1 5.897 2.185 9.056 1.00 0.00 C ATOM 11 N7 DG A 1 4.760 1.918 9.640 1.00 0.00 N ATOM 12 C5 DG A 1 4.776 2.758 10.750 1.00 0.00 C ATOM 13 C6 DG A 1 3.815 2.938 11.781 1.00 0.00 C ATOM 14 O6 DG A 1 2.731 2.371 11.914 1.00 0.00 O ATOM 15 N1 DG A 1 4.225 3.881 12.706 1.00 0.00 N ATOM 16 C2 DG A 1 5.410 4.570 12.651 1.00 0.00 C ATOM 17 N2 DG A 1 5.649 5.450 13.628 1.00 0.00 N ATOM 18 N3 DG A 1 6.324 4.415 11.691 1.00 0.00 N ATOM 19 C4 DG A 1 5.943 3.500 10.782 1.00 0.00 C ATOM 0 H5' DG A 1 7.831 7.662 10.005 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.245 6.347 11.003 1.00 0.00 H new ATOM 0 H4' DG A 1 9.238 6.160 8.769 1.00 0.00 H new ATOM 0 H3' DG A 1 6.288 5.498 8.882 1.00 0.00 H new ATOM 0 H2' DG A 1 7.037 3.672 7.078 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.675 4.289 7.176 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.035 7.004 10.766 1.00 0.00 H new ATOM 0 H1' DG A 1 8.459 2.621 8.986 1.00 0.00 H new ATOM 0 H8 DG A 1 6.209 1.700 8.143 1.00 0.00 H new ATOM 0 H1 DG A 1 3.600 4.079 13.487 1.00 0.00 H new ATOM 0 H21 DG A 1 6.517 5.986 13.630 1.00 0.00 H new ATOM 0 H22 DG A 1 4.964 5.585 14.371 1.00 0.00 H new ATOM 32 P DA A 2 5.467 6.078 6.483 1.00 0.00 P ATOM 33 OP1 DA A 2 4.864 7.391 6.140 1.00 0.00 O ATOM 34 OP2 DA A 2 4.656 5.100 7.256 1.00 0.00 O ATOM 35 O5' DA A 2 5.908 5.371 5.103 1.00 0.00 O ATOM 36 C5' DA A 2 5.592 4.028 4.700 1.00 0.00 C ATOM 37 C4' DA A 2 5.727 3.934 3.191 1.00 0.00 C ATOM 38 O4' DA A 2 6.951 4.454 2.716 1.00 0.00 O ATOM 39 C3' DA A 2 5.534 2.618 2.433 1.00 0.00 C ATOM 40 O3' DA A 2 4.906 2.696 1.130 1.00 0.00 O ATOM 41 C2' DA A 2 6.953 2.144 2.300 1.00 0.00 C ATOM 42 C1' DA A 2 7.740 3.433 2.109 1.00 0.00 C ATOM 43 N9 DA A 2 8.889 3.579 2.987 1.00 0.00 N ATOM 44 C8 DA A 2 9.029 3.144 4.287 1.00 0.00 C ATOM 45 N7 DA A 2 10.175 3.467 4.806 1.00 0.00 N ATOM 46 C5 DA A 2 10.823 4.150 3.795 1.00 0.00 C ATOM 47 C6 DA A 2 12.070 4.745 3.731 1.00 0.00 C ATOM 48 N6 DA A 2 12.888 4.746 4.781 1.00 0.00 N ATOM 49 N1 DA A 2 12.416 5.335 2.586 1.00 0.00 N ATOM 50 C2 DA A 2 11.568 5.340 1.554 1.00 0.00 C ATOM 51 N3 DA A 2 10.346 4.807 1.494 1.00 0.00 N ATOM 52 C4 DA A 2 10.045 4.224 2.666 1.00 0.00 C ATOM 0 H5' DA A 2 4.579 3.769 5.007 1.00 0.00 H new ATOM 0 H5'' DA A 2 6.263 3.319 5.185 1.00 0.00 H new ATOM 0 H4' DA A 2 4.836 4.521 2.969 1.00 0.00 H new ATOM 0 H3' DA A 2 4.842 1.968 2.969 1.00 0.00 H new ATOM 0 H2' DA A 2 7.280 1.601 3.187 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.074 1.470 1.452 1.00 0.00 H new ATOM 0 H1' DA A 2 7.996 3.461 1.050 1.00 0.00 H new ATOM 0 H8 DA A 2 8.267 2.593 4.818 1.00 0.00 H new ATOM 0 H61 DA A 2 13.804 5.190 4.714 1.00 0.00 H new ATOM 0 H62 DA A 2 12.599 4.303 5.653 1.00 0.00 H new ATOM 0 H2 DA A 2 11.913 5.836 0.659 1.00 0.00 H new ATOM 64 P DG A 3 5.205 3.646 -0.160 1.00 0.00 P ATOM 65 OP1 DG A 3 5.669 4.967 0.334 1.00 0.00 O ATOM 66 OP2 DG A 3 3.990 3.591 -1.012 1.00 0.00 O ATOM 67 O5' DG A 3 6.411 3.002 -1.019 1.00 0.00 O ATOM 68 C5' DG A 3 6.744 3.447 -2.357 1.00 0.00 C ATOM 69 C4' DG A 3 8.085 2.869 -2.809 1.00 0.00 C ATOM 70 O4' DG A 3 9.019 3.204 -1.794 1.00 0.00 O ATOM 71 C3' DG A 3 8.174 1.347 -2.801 1.00 0.00 C ATOM 72 O3' DG A 3 7.617 0.694 -3.952 1.00 0.00 O ATOM 73 C2' DG A 3 9.668 1.111 -2.630 1.00 0.00 C ATOM 74 C1' DG A 3 10.182 2.473 -2.165 1.00 0.00 C ATOM 75 N9 DG A 3 10.964 2.419 -0.953 1.00 0.00 N ATOM 76 C8 DG A 3 12.125 3.061 -0.669 1.00 0.00 C ATOM 77 N7 DG A 3 12.563 2.823 0.536 1.00 0.00 N ATOM 78 C5 DG A 3 11.618 1.964 1.068 1.00 0.00 C ATOM 79 C6 DG A 3 11.547 1.360 2.332 1.00 0.00 C ATOM 80 O6 DG A 3 12.352 1.507 3.241 1.00 0.00 O ATOM 81 N1 DG A 3 10.424 0.555 2.457 1.00 0.00 N ATOM 82 C2 DG A 3 9.489 0.365 1.469 1.00 0.00 C ATOM 83 N2 DG A 3 8.467 -0.453 1.712 1.00 0.00 N ATOM 84 N3 DG A 3 9.545 0.933 0.276 1.00 0.00 N ATOM 85 C4 DG A 3 10.628 1.709 0.152 1.00 0.00 C ATOM 0 H5' DG A 3 6.786 4.536 -2.382 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.960 3.143 -3.051 1.00 0.00 H new ATOM 0 H4' DG A 3 8.245 3.250 -3.818 1.00 0.00 H new ATOM 0 H3' DG A 3 7.566 0.906 -2.012 1.00 0.00 H new ATOM 0 H2' DG A 3 9.872 0.331 -1.896 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.137 0.800 -3.564 1.00 0.00 H new ATOM 0 H1' DG A 3 10.796 2.889 -2.964 1.00 0.00 H new ATOM 0 H8 DG A 3 12.635 3.705 -1.370 1.00 0.00 H new ATOM 0 H1 DG A 3 10.283 0.071 3.344 1.00 0.00 H new ATOM 0 H21 DG A 3 7.759 -0.611 0.995 1.00 0.00 H new ATOM 0 H22 DG A 3 8.392 -0.921 2.615 1.00 0.00 H new ATOM 97 P DC A 4 8.064 1.057 -5.456 1.00 0.00 P ATOM 98 OP1 DC A 4 7.710 2.473 -5.740 1.00 0.00 O ATOM 99 OP2 DC A 4 7.593 -0.022 -6.361 1.00 0.00 O ATOM 100 O5' DC A 4 9.646 0.932 -5.316 1.00 0.00 O ATOM 101 C5' DC A 4 10.634 1.801 -5.860 1.00 0.00 C ATOM 102 C4' DC A 4 11.988 1.421 -5.282 1.00 0.00 C ATOM 103 O4' DC A 4 12.264 1.719 -3.887 1.00 0.00 O ATOM 104 C3' DC A 4 12.158 -0.093 -5.219 1.00 0.00 C ATOM 105 O3' DC A 4 12.097 -0.965 -6.345 1.00 0.00 O ATOM 106 C2' DC A 4 13.317 -0.288 -4.270 1.00 0.00 C ATOM 107 C1' DC A 4 13.492 1.040 -3.507 1.00 0.00 C ATOM 108 N1 DC A 4 13.593 0.698 -2.069 1.00 0.00 N ATOM 109 C2 DC A 4 14.654 1.096 -1.224 1.00 0.00 C ATOM 110 O2 DC A 4 15.591 1.814 -1.576 1.00 0.00 O ATOM 111 N3 DC A 4 14.639 0.658 0.058 1.00 0.00 N ATOM 112 C4 DC A 4 13.652 -0.124 0.508 1.00 0.00 C ATOM 113 N4 DC A 4 13.682 -0.523 1.778 1.00 0.00 N ATOM 114 C5 DC A 4 12.587 -0.523 -0.337 1.00 0.00 C ATOM 115 C6 DC A 4 12.599 -0.095 -1.582 1.00 0.00 C ATOM 0 H5' DC A 4 10.398 2.838 -5.621 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.651 1.721 -6.947 1.00 0.00 H new ATOM 0 H4' DC A 4 12.623 2.001 -5.952 1.00 0.00 H new ATOM 0 H3' DC A 4 11.194 -0.489 -4.900 1.00 0.00 H new ATOM 0 H2' DC A 4 13.118 -1.108 -3.580 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.225 -0.544 -4.816 1.00 0.00 H new ATOM 0 H1' DC A 4 14.367 1.655 -3.718 1.00 0.00 H new ATOM 0 H41 DC A 4 12.940 -1.120 2.143 1.00 0.00 H new ATOM 0 H42 DC A 4 14.447 -0.232 2.386 1.00 0.00 H new ATOM 0 H5 DC A 4 11.792 -1.157 0.028 1.00 0.00 H new ATOM 0 H6 DC A 4 11.792 -0.383 -2.240 1.00 0.00 H new ATOM 127 P DA A 5 11.078 -2.234 -6.427 1.00 0.00 P ATOM 128 OP1 DA A 5 11.900 -3.469 -6.457 1.00 0.00 O ATOM 129 OP2 DA A 5 10.182 -1.959 -7.579 1.00 0.00 O ATOM 130 O5' DA A 5 10.106 -2.315 -5.122 1.00 0.00 O ATOM 131 C5' DA A 5 10.409 -2.487 -3.720 1.00 0.00 C ATOM 132 C4' DA A 5 10.732 -3.904 -3.256 1.00 0.00 C ATOM 133 O4' DA A 5 11.853 -4.485 -3.956 1.00 0.00 O ATOM 134 C3' DA A 5 11.079 -4.074 -1.789 1.00 0.00 C ATOM 135 O3' DA A 5 10.995 -5.386 -1.192 1.00 0.00 O ATOM 136 C2' DA A 5 12.521 -3.704 -1.804 1.00 0.00 C ATOM 137 C1' DA A 5 12.988 -4.398 -3.072 1.00 0.00 C ATOM 138 N9 DA A 5 14.084 -3.632 -3.676 1.00 0.00 N ATOM 139 C8 DA A 5 14.324 -3.292 -4.982 1.00 0.00 C ATOM 140 N7 DA A 5 15.428 -2.600 -5.150 1.00 0.00 N ATOM 141 C5 DA A 5 15.942 -2.481 -3.865 1.00 0.00 C ATOM 142 C6 DA A 5 17.089 -1.865 -3.333 1.00 0.00 C ATOM 143 N6 DA A 5 17.988 -1.206 -4.070 1.00 0.00 N ATOM 144 N1 DA A 5 17.272 -1.949 -2.002 1.00 0.00 N ATOM 145 C2 DA A 5 16.367 -2.604 -1.258 1.00 0.00 C ATOM 146 N3 DA A 5 15.267 -3.216 -1.646 1.00 0.00 N ATOM 147 C4 DA A 5 15.119 -3.113 -2.966 1.00 0.00 C ATOM 0 H5' DA A 5 9.559 -2.125 -3.142 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.257 -1.847 -3.474 1.00 0.00 H new ATOM 0 H4' DA A 5 9.784 -4.399 -3.469 1.00 0.00 H new ATOM 0 H3' DA A 5 10.365 -3.500 -1.199 1.00 0.00 H new ATOM 0 H2' DA A 5 12.669 -2.625 -1.847 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.048 -4.063 -0.920 1.00 0.00 H new ATOM 0 H1' DA A 5 13.367 -5.399 -2.865 1.00 0.00 H new ATOM 0 H8 DA A 5 13.668 -3.567 -5.795 1.00 0.00 H new ATOM 0 H61 DA A 5 18.800 -0.780 -3.623 1.00 0.00 H new ATOM 0 H62 DA A 5 17.862 -1.129 -5.079 1.00 0.00 H new ATOM 0 H2 DA A 5 16.568 -2.633 -0.197 1.00 0.00 H new ATOM 159 P DG A 6 10.503 -6.793 -1.823 1.00 0.00 P ATOM 160 OP1 DG A 6 11.198 -7.871 -1.078 1.00 0.00 O ATOM 161 OP2 DG A 6 10.631 -6.750 -3.301 1.00 0.00 O ATOM 162 O5' DG A 6 8.935 -6.896 -1.493 1.00 0.00 O ATOM 163 C5' DG A 6 8.408 -7.624 -0.379 1.00 0.00 C ATOM 164 C4' DG A 6 8.210 -6.729 0.823 1.00 0.00 C ATOM 165 O4' DG A 6 9.447 -6.176 1.301 1.00 0.00 O ATOM 166 C3' DG A 6 7.269 -5.521 0.612 1.00 0.00 C ATOM 167 O3' DG A 6 6.172 -5.381 1.529 1.00 0.00 O ATOM 168 C2' DG A 6 8.237 -4.411 0.930 1.00 0.00 C ATOM 169 C1' DG A 6 9.073 -5.030 2.073 1.00 0.00 C ATOM 170 N9 DG A 6 10.258 -4.247 2.422 1.00 0.00 N ATOM 171 C8 DG A 6 10.833 -3.384 1.559 1.00 0.00 C ATOM 172 N7 DG A 6 11.845 -2.740 2.018 1.00 0.00 N ATOM 173 C5 DG A 6 11.958 -3.212 3.305 1.00 0.00 C ATOM 174 C6 DG A 6 12.893 -2.851 4.263 1.00 0.00 C ATOM 175 O6 DG A 6 13.775 -2.031 4.093 1.00 0.00 O ATOM 176 N1 DG A 6 12.731 -3.511 5.453 1.00 0.00 N ATOM 177 C2 DG A 6 11.756 -4.436 5.699 1.00 0.00 C ATOM 178 N2 DG A 6 11.787 -4.950 6.942 1.00 0.00 N ATOM 179 N3 DG A 6 10.830 -4.809 4.785 1.00 0.00 N ATOM 180 C4 DG A 6 10.991 -4.154 3.604 1.00 0.00 C ATOM 0 H5' DG A 6 9.086 -8.437 -0.121 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.457 -8.078 -0.657 1.00 0.00 H new ATOM 0 H4' DG A 6 7.753 -7.414 1.537 1.00 0.00 H new ATOM 0 H3' DG A 6 6.786 -5.573 -0.364 1.00 0.00 H new ATOM 0 H2' DG A 6 8.853 -4.148 0.070 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.725 -3.502 1.245 1.00 0.00 H new ATOM 0 H1' DG A 6 8.581 -5.155 3.038 1.00 0.00 H new ATOM 0 H8 DG A 6 10.468 -3.244 0.552 1.00 0.00 H new ATOM 0 H1 DG A 6 13.383 -3.297 6.207 1.00 0.00 H new ATOM 0 H21 DG A 6 11.099 -5.649 7.222 1.00 0.00 H new ATOM 0 H22 DG A 6 12.499 -4.641 7.604 1.00 0.00 H new ATOM 192 P DG A 7 5.366 -6.605 2.187 1.00 0.00 P ATOM 193 OP1 DG A 7 5.201 -7.668 1.163 1.00 0.00 O ATOM 194 OP2 DG A 7 4.170 -6.063 2.881 1.00 0.00 O ATOM 195 O5' DG A 7 6.438 -7.111 3.269 1.00 0.00 O ATOM 196 C5' DG A 7 6.185 -7.458 4.633 1.00 0.00 C ATOM 197 C4' DG A 7 6.191 -6.248 5.558 1.00 0.00 C ATOM 198 O4' DG A 7 7.435 -5.520 5.428 1.00 0.00 O ATOM 199 C3' DG A 7 5.090 -5.163 5.417 1.00 0.00 C ATOM 200 O3' DG A 7 4.582 -4.631 6.647 1.00 0.00 O ATOM 201 C2' DG A 7 5.945 -4.055 4.817 1.00 0.00 C ATOM 202 C1' DG A 7 7.147 -4.156 5.755 1.00 0.00 C ATOM 203 N9 DG A 7 8.160 -3.190 5.328 1.00 0.00 N ATOM 204 C8 DG A 7 8.296 -2.625 4.087 1.00 0.00 C ATOM 205 N7 DG A 7 9.258 -1.763 4.015 1.00 0.00 N ATOM 206 C5 DG A 7 9.801 -1.748 5.276 1.00 0.00 C ATOM 207 C6 DG A 7 10.874 -0.992 5.759 1.00 0.00 C ATOM 208 O6 DG A 7 11.525 -0.188 5.103 1.00 0.00 O ATOM 209 N1 DG A 7 11.133 -1.252 7.094 1.00 0.00 N ATOM 210 C2 DG A 7 10.412 -2.149 7.855 1.00 0.00 C ATOM 211 N2 DG A 7 10.745 -2.313 9.137 1.00 0.00 N ATOM 212 N3 DG A 7 9.385 -2.872 7.401 1.00 0.00 N ATOM 213 C4 DG A 7 9.137 -2.622 6.108 1.00 0.00 C ATOM 0 H5' DG A 7 6.939 -8.170 4.968 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.220 -7.959 4.703 1.00 0.00 H new ATOM 0 H4' DG A 7 6.014 -6.742 6.513 1.00 0.00 H new ATOM 0 H3' DG A 7 4.217 -5.544 4.888 1.00 0.00 H new ATOM 0 H2' DG A 7 6.206 -4.240 3.775 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.460 -3.080 4.856 1.00 0.00 H new ATOM 0 H1' DG A 7 7.047 -3.944 6.819 1.00 0.00 H new ATOM 0 H8 DG A 7 7.661 -2.875 3.250 1.00 0.00 H new ATOM 0 H1 DG A 7 11.901 -0.751 7.541 1.00 0.00 H new ATOM 0 H21 DG A 7 10.226 -2.971 9.719 1.00 0.00 H new ATOM 0 H22 DG A 7 11.519 -1.781 9.535 1.00 0.00 H new ATOM 225 P DT A 8 4.014 -5.503 7.868 1.00 0.00 P ATOM 226 OP1 DT A 8 3.537 -6.807 7.335 1.00 0.00 O ATOM 227 OP2 DT A 8 3.081 -4.643 8.638 1.00 0.00 O ATOM 228 O5' DT A 8 5.333 -5.777 8.743 1.00 0.00 O ATOM 229 C5' DT A 8 5.387 -6.063 10.148 1.00 0.00 C ATOM 230 C4' DT A 8 5.529 -4.784 10.957 1.00 0.00 C ATOM 231 O4' DT A 8 6.648 -4.041 10.467 1.00 0.00 O ATOM 232 C3' DT A 8 4.375 -3.830 11.004 1.00 0.00 C ATOM 233 O3' DT A 8 3.287 -4.269 11.788 1.00 0.00 O ATOM 234 C2' DT A 8 5.100 -2.607 11.545 1.00 0.00 C ATOM 235 C1' DT A 8 6.481 -2.670 10.854 1.00 0.00 C ATOM 236 N1 DT A 8 6.660 -1.877 9.632 1.00 0.00 N ATOM 237 C2 DT A 8 7.778 -1.096 9.432 1.00 0.00 C ATOM 238 O2 DT A 8 8.672 -1.001 10.271 1.00 0.00 O ATOM 239 N3 DT A 8 7.803 -0.420 8.221 1.00 0.00 N ATOM 240 C4 DT A 8 6.850 -0.441 7.234 1.00 0.00 C ATOM 241 O4 DT A 8 6.995 0.208 6.199 1.00 0.00 O ATOM 242 C5 DT A 8 5.729 -1.277 7.550 1.00 0.00 C ATOM 243 C7 DT A 8 4.535 -1.426 6.672 1.00 0.00 C ATOM 244 C6 DT A 8 5.704 -1.928 8.689 1.00 0.00 C ATOM 0 H5' DT A 8 6.228 -6.725 10.356 1.00 0.00 H new ATOM 0 H5'' DT A 8 4.483 -6.591 10.451 1.00 0.00 H new ATOM 0 H4' DT A 8 5.627 -5.164 11.974 1.00 0.00 H new ATOM 0 H3' DT A 8 3.862 -3.675 10.055 1.00 0.00 H new ATOM 0 H2' DT A 8 4.571 -1.686 11.300 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.192 -2.643 12.630 1.00 0.00 H new ATOM 0 HO3' DT A 8 2.577 -3.594 11.770 1.00 0.00 H new ATOM 0 H1' DT A 8 7.195 -2.261 11.569 1.00 0.00 H new ATOM 0 H3 DT A 8 8.624 0.159 8.044 1.00 0.00 H new ATOM 0 H71 DT A 8 4.109 -2.421 6.803 1.00 0.00 H new ATOM 0 H72 DT A 8 3.792 -0.675 6.938 1.00 0.00 H new ATOM 0 H73 DT A 8 4.830 -1.292 5.631 1.00 0.00 H new ATOM 0 H6 DT A 8 4.847 -2.555 8.884 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 6.569 7.940 3.966 1.00 0.00 O ATOM 260 C5' DG B 1 7.390 8.483 4.999 1.00 0.00 C ATOM 261 C4' DG B 1 8.566 7.582 5.294 1.00 0.00 C ATOM 262 O4' DG B 1 9.384 7.513 4.100 1.00 0.00 O ATOM 263 C3' DG B 1 9.543 8.107 6.393 1.00 0.00 C ATOM 264 O3' DG B 1 9.258 8.051 7.789 1.00 0.00 O ATOM 265 C2' DG B 1 10.716 7.234 6.060 1.00 0.00 C ATOM 266 C1' DG B 1 10.699 7.683 4.624 1.00 0.00 C ATOM 267 N9 DG B 1 11.265 9.006 4.419 1.00 0.00 N ATOM 268 C8 DG B 1 12.532 9.263 4.748 1.00 0.00 C ATOM 269 N7 DG B 1 12.902 10.506 4.586 1.00 0.00 N ATOM 270 C5 DG B 1 11.745 11.114 4.105 1.00 0.00 C ATOM 271 C6 DG B 1 11.501 12.465 3.737 1.00 0.00 C ATOM 272 O6 DG B 1 12.285 13.411 3.768 1.00 0.00 O ATOM 273 N1 DG B 1 10.200 12.652 3.306 1.00 0.00 N ATOM 274 C2 DG B 1 9.248 11.667 3.233 1.00 0.00 C ATOM 275 N2 DG B 1 8.037 12.020 2.793 1.00 0.00 N ATOM 276 N3 DG B 1 9.459 10.394 3.574 1.00 0.00 N ATOM 277 C4 DG B 1 10.719 10.192 3.997 1.00 0.00 C ATOM 0 H5' DG B 1 6.798 8.620 5.904 1.00 0.00 H new ATOM 0 H5'' DG B 1 7.749 9.468 4.701 1.00 0.00 H new ATOM 0 H4' DG B 1 8.129 6.642 5.629 1.00 0.00 H new ATOM 0 H3' DG B 1 9.592 9.194 6.333 1.00 0.00 H new ATOM 0 H2' DG B 1 11.630 7.481 6.600 1.00 0.00 H new ATOM 0 H2'' DG B 1 10.540 6.168 6.202 1.00 0.00 H new ATOM 0 HO5' DG B 1 5.683 7.730 4.329 1.00 0.00 H new ATOM 0 H1' DG B 1 11.372 7.047 4.049 1.00 0.00 H new ATOM 0 H8 DG B 1 13.201 8.502 5.120 1.00 0.00 H new ATOM 0 H1 DG B 1 9.928 13.593 3.021 1.00 0.00 H new ATOM 0 H21 DG B 1 7.297 11.322 2.722 1.00 0.00 H new ATOM 0 H22 DG B 1 7.853 12.988 2.528 1.00 0.00 H new ATOM 290 P DA B 2 10.255 8.820 8.821 1.00 0.00 P ATOM 291 OP1 DA B 2 9.434 9.320 9.951 1.00 0.00 O ATOM 292 OP2 DA B 2 11.070 9.793 8.043 1.00 0.00 O ATOM 293 O5' DA B 2 11.255 7.699 9.407 1.00 0.00 O ATOM 294 C5' DA B 2 12.676 7.639 9.199 1.00 0.00 C ATOM 295 C4' DA B 2 13.287 6.786 10.296 1.00 0.00 C ATOM 296 O4' DA B 2 12.629 5.548 10.461 1.00 0.00 O ATOM 297 C3' DA B 2 14.780 6.451 10.335 1.00 0.00 C ATOM 298 O3' DA B 2 15.404 6.381 11.640 1.00 0.00 O ATOM 299 C2' DA B 2 14.796 5.101 9.678 1.00 0.00 C ATOM 300 C1' DA B 2 13.498 4.461 10.153 1.00 0.00 C ATOM 301 N9 DA B 2 12.676 3.896 9.098 1.00 0.00 N ATOM 302 C8 DA B 2 12.518 4.351 7.806 1.00 0.00 C ATOM 303 N7 DA B 2 11.677 3.636 7.119 1.00 0.00 N ATOM 304 C5 DA B 2 11.263 2.660 8.004 1.00 0.00 C ATOM 305 C6 DA B 2 10.375 1.608 7.870 1.00 0.00 C ATOM 306 N6 DA B 2 9.718 1.400 6.732 1.00 0.00 N ATOM 307 N1 DA B 2 10.185 0.820 8.930 1.00 0.00 N ATOM 308 C2 DA B 2 10.841 1.065 10.069 1.00 0.00 C ATOM 309 N3 DA B 2 11.712 2.042 10.320 1.00 0.00 N ATOM 310 C4 DA B 2 11.872 2.804 9.226 1.00 0.00 C ATOM 0 H5' DA B 2 13.104 8.641 9.216 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.898 7.214 8.220 1.00 0.00 H new ATOM 0 H4' DA B 2 13.141 7.517 11.091 1.00 0.00 H new ATOM 0 H3' DA B 2 15.360 7.242 9.859 1.00 0.00 H new ATOM 0 H2' DA B 2 14.829 5.183 8.592 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.666 4.517 9.980 1.00 0.00 H new ATOM 0 H1' DA B 2 13.795 3.733 10.908 1.00 0.00 H new ATOM 0 H8 DA B 2 13.037 5.210 7.407 1.00 0.00 H new ATOM 0 H61 DA B 2 9.068 0.618 6.654 1.00 0.00 H new ATOM 0 H62 DA B 2 9.865 2.022 5.937 1.00 0.00 H new ATOM 0 H2 DA B 2 10.640 0.388 10.886 1.00 0.00 H new ATOM 322 P DG B 3 14.973 5.606 13.006 1.00 0.00 P ATOM 323 OP1 DG B 3 13.490 5.578 13.077 1.00 0.00 O ATOM 324 OP2 DG B 3 15.726 6.248 14.112 1.00 0.00 O ATOM 325 O5' DG B 3 15.479 4.073 12.922 1.00 0.00 O ATOM 326 C5' DG B 3 15.493 3.189 14.070 1.00 0.00 C ATOM 327 C4' DG B 3 15.743 1.743 13.645 1.00 0.00 C ATOM 328 O4' DG B 3 14.774 1.451 12.651 1.00 0.00 O ATOM 329 C3' DG B 3 17.037 1.506 12.872 1.00 0.00 C ATOM 330 O3' DG B 3 18.217 1.370 13.679 1.00 0.00 O ATOM 331 C2' DG B 3 16.706 0.262 12.059 1.00 0.00 C ATOM 332 C1' DG B 3 15.184 0.182 12.155 1.00 0.00 C ATOM 333 N9 DG B 3 14.525 0.078 10.875 1.00 0.00 N ATOM 334 C8 DG B 3 13.492 -0.731 10.521 1.00 0.00 C ATOM 335 N7 DG B 3 13.103 -0.560 9.289 1.00 0.00 N ATOM 336 C5 DG B 3 13.949 0.427 8.810 1.00 0.00 C ATOM 337 C6 DG B 3 14.015 1.030 7.546 1.00 0.00 C ATOM 338 O6 DG B 3 13.289 0.779 6.594 1.00 0.00 O ATOM 339 N1 DG B 3 15.024 1.982 7.482 1.00 0.00 N ATOM 340 C2 DG B 3 15.858 2.302 8.525 1.00 0.00 C ATOM 341 N2 DG B 3 16.800 3.222 8.323 1.00 0.00 N ATOM 342 N3 DG B 3 15.799 1.743 9.720 1.00 0.00 N ATOM 343 C4 DG B 3 14.829 0.822 9.784 1.00 0.00 C ATOM 0 H5' DG B 3 14.542 3.257 14.598 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.268 3.506 14.768 1.00 0.00 H new ATOM 0 H4' DG B 3 15.742 1.162 14.567 1.00 0.00 H new ATOM 0 H3' DG B 3 17.314 2.367 12.264 1.00 0.00 H new ATOM 0 H2' DG B 3 17.041 0.355 11.026 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.183 -0.627 12.470 1.00 0.00 H new ATOM 0 H1' DG B 3 14.932 -0.691 12.757 1.00 0.00 H new ATOM 0 H8 DG B 3 13.039 -1.444 11.193 1.00 0.00 H new ATOM 0 H1 DG B 3 15.155 2.477 6.600 1.00 0.00 H new ATOM 0 H21 DG B 3 17.433 3.479 9.081 1.00 0.00 H new ATOM 0 H22 DG B 3 16.888 3.670 7.411 1.00 0.00 H new ATOM 355 P DC B 4 18.330 0.298 14.876 1.00 0.00 P ATOM 356 OP1 DC B 4 17.319 0.622 15.915 1.00 0.00 O ATOM 357 OP2 DC B 4 19.760 0.159 15.250 1.00 0.00 O ATOM 358 O5' DC B 4 17.888 -1.026 14.109 1.00 0.00 O ATOM 359 C5' DC B 4 17.026 -2.054 14.585 1.00 0.00 C ATOM 360 C4' DC B 4 16.710 -2.997 13.435 1.00 0.00 C ATOM 361 O4' DC B 4 15.835 -2.537 12.371 1.00 0.00 O ATOM 362 C3' DC B 4 17.950 -3.277 12.593 1.00 0.00 C ATOM 363 O3' DC B 4 19.155 -3.856 13.086 1.00 0.00 O ATOM 364 C2' DC B 4 17.395 -3.853 11.310 1.00 0.00 C ATOM 365 C1' DC B 4 15.895 -3.498 11.281 1.00 0.00 C ATOM 366 N1 DC B 4 15.615 -2.933 9.939 1.00 0.00 N ATOM 367 C2 DC B 4 14.613 -3.409 9.060 1.00 0.00 C ATOM 368 O2 DC B 4 13.824 -4.318 9.329 1.00 0.00 O ATOM 369 N3 DC B 4 14.514 -2.827 7.842 1.00 0.00 N ATOM 370 C4 DC B 4 15.336 -1.836 7.483 1.00 0.00 C ATOM 371 N4 DC B 4 15.193 -1.296 6.274 1.00 0.00 N ATOM 372 C5 DC B 4 16.339 -1.357 8.360 1.00 0.00 C ATOM 373 C6 DC B 4 16.434 -1.919 9.547 1.00 0.00 C ATOM 0 H5' DC B 4 16.108 -1.623 14.983 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.502 -2.599 15.400 1.00 0.00 H new ATOM 0 H4' DC B 4 16.259 -3.809 14.005 1.00 0.00 H new ATOM 0 H3' DC B 4 18.477 -2.326 12.515 1.00 0.00 H new ATOM 0 H2' DC B 4 17.909 -3.436 10.444 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.538 -4.933 11.276 1.00 0.00 H new ATOM 0 H1' DC B 4 15.165 -4.296 11.415 1.00 0.00 H new ATOM 0 H41 DC B 4 15.809 -0.539 5.978 1.00 0.00 H new ATOM 0 H42 DC B 4 14.468 -1.640 5.644 1.00 0.00 H new ATOM 0 H5 DC B 4 17.003 -0.558 8.066 1.00 0.00 H new ATOM 0 H6 DC B 4 17.188 -1.563 10.233 1.00 0.00 H new ATOM 385 P DA B 5 20.612 -3.144 12.925 1.00 0.00 P ATOM 386 OP1 DA B 5 21.438 -4.006 12.045 1.00 0.00 O ATOM 387 OP2 DA B 5 21.092 -2.887 14.307 1.00 0.00 O ATOM 388 O5' DA B 5 20.493 -1.681 12.218 1.00 0.00 O ATOM 389 C5' DA B 5 20.016 -1.291 10.913 1.00 0.00 C ATOM 390 C4' DA B 5 20.971 -1.502 9.742 1.00 0.00 C ATOM 391 O4' DA B 5 21.389 -2.875 9.594 1.00 0.00 O ATOM 392 C3' DA B 5 20.454 -1.118 8.368 1.00 0.00 C ATOM 393 O3' DA B 5 21.396 -0.898 7.296 1.00 0.00 O ATOM 394 C2' DA B 5 19.684 -2.343 8.015 1.00 0.00 C ATOM 395 C1' DA B 5 20.622 -3.430 8.509 1.00 0.00 C ATOM 396 N9 DA B 5 19.838 -4.593 8.944 1.00 0.00 N ATOM 397 C8 DA B 5 19.961 -5.391 10.050 1.00 0.00 C ATOM 398 N7 DA B 5 19.075 -6.360 10.100 1.00 0.00 N ATOM 399 C5 DA B 5 18.321 -6.179 8.947 1.00 0.00 C ATOM 400 C6 DA B 5 17.222 -6.857 8.391 1.00 0.00 C ATOM 401 N6 DA B 5 16.645 -7.924 8.952 1.00 0.00 N ATOM 402 N1 DA B 5 16.733 -6.387 7.227 1.00 0.00 N ATOM 403 C2 DA B 5 17.307 -5.313 6.663 1.00 0.00 C ATOM 404 N3 DA B 5 18.334 -4.606 7.090 1.00 0.00 N ATOM 405 C4 DA B 5 18.790 -5.099 8.241 1.00 0.00 C ATOM 0 H5' DA B 5 19.751 -0.234 10.950 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.099 -1.843 10.707 1.00 0.00 H new ATOM 0 H4' DA B 5 21.781 -0.832 10.030 1.00 0.00 H new ATOM 0 H3' DA B 5 19.956 -0.152 8.445 1.00 0.00 H new ATOM 0 H2' DA B 5 18.715 -2.378 8.512 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.496 -2.417 6.944 1.00 0.00 H new ATOM 0 H1' DA B 5 21.296 -3.767 7.721 1.00 0.00 H new ATOM 0 H8 DA B 5 20.714 -5.238 10.809 1.00 0.00 H new ATOM 0 H61 DA B 5 15.849 -8.372 8.497 1.00 0.00 H new ATOM 0 H62 DA B 5 17.001 -8.291 9.835 1.00 0.00 H new ATOM 0 H2 DA B 5 16.868 -4.983 5.733 1.00 0.00 H new ATOM 417 P DG B 6 23.015 -0.922 7.304 1.00 0.00 P ATOM 418 OP1 DG B 6 23.451 -1.286 5.932 1.00 0.00 O ATOM 419 OP2 DG B 6 23.496 -1.738 8.447 1.00 0.00 O ATOM 420 O5' DG B 6 23.473 0.590 7.583 1.00 0.00 O ATOM 421 C5' DG B 6 23.851 1.506 6.549 1.00 0.00 C ATOM 422 C4' DG B 6 22.679 2.350 6.103 1.00 0.00 C ATOM 423 O4' DG B 6 21.626 1.561 5.526 1.00 0.00 O ATOM 424 C3' DG B 6 22.005 3.197 7.206 1.00 0.00 C ATOM 425 O3' DG B 6 21.882 4.607 6.960 1.00 0.00 O ATOM 426 C2' DG B 6 20.612 2.625 7.124 1.00 0.00 C ATOM 427 C1' DG B 6 20.455 2.379 5.607 1.00 0.00 C ATOM 428 N9 DG B 6 19.268 1.597 5.261 1.00 0.00 N ATOM 429 C8 DG B 6 18.663 0.775 6.143 1.00 0.00 C ATOM 430 N7 DG B 6 17.609 0.182 5.709 1.00 0.00 N ATOM 431 C5 DG B 6 17.497 0.650 4.421 1.00 0.00 C ATOM 432 C6 DG B 6 16.525 0.334 3.484 1.00 0.00 C ATOM 433 O6 DG B 6 15.598 -0.429 3.680 1.00 0.00 O ATOM 434 N1 DG B 6 16.700 0.975 2.285 1.00 0.00 N ATOM 435 C2 DG B 6 17.718 1.844 2.013 1.00 0.00 C ATOM 436 N2 DG B 6 17.686 2.359 0.771 1.00 0.00 N ATOM 437 N3 DG B 6 18.681 2.172 2.906 1.00 0.00 N ATOM 438 C4 DG B 6 18.507 1.534 4.094 1.00 0.00 C ATOM 0 H5' DG B 6 24.247 0.952 5.698 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.651 2.153 6.909 1.00 0.00 H new ATOM 0 H4' DG B 6 23.148 3.017 5.379 1.00 0.00 H new ATOM 0 H3' DG B 6 22.572 3.143 8.135 1.00 0.00 H new ATOM 0 H2' DG B 6 20.515 1.704 7.699 1.00 0.00 H new ATOM 0 H2'' DG B 6 19.863 3.319 7.505 1.00 0.00 H new ATOM 0 H1' DG B 6 20.354 3.257 4.969 1.00 0.00 H new ATOM 0 H8 DG B 6 19.039 0.626 7.145 1.00 0.00 H new ATOM 0 H1 DG B 6 16.023 0.790 1.545 1.00 0.00 H new ATOM 0 H21 DG B 6 18.405 3.018 0.474 1.00 0.00 H new ATOM 0 H22 DG B 6 16.943 2.090 0.126 1.00 0.00 H new ATOM 450 P DG B 7 22.950 5.495 6.154 1.00 0.00 P ATOM 451 OP1 DG B 7 24.316 5.034 6.515 1.00 0.00 O ATOM 452 OP2 DG B 7 22.594 6.926 6.316 1.00 0.00 O ATOM 453 O5' DG B 7 22.643 5.026 4.650 1.00 0.00 O ATOM 454 C5' DG B 7 22.508 5.862 3.500 1.00 0.00 C ATOM 455 C4' DG B 7 21.102 6.430 3.347 1.00 0.00 C ATOM 456 O4' DG B 7 20.126 5.362 3.332 1.00 0.00 O ATOM 457 C3' DG B 7 20.558 7.437 4.396 1.00 0.00 C ATOM 458 O3' DG B 7 19.789 8.526 3.869 1.00 0.00 O ATOM 459 C2' DG B 7 19.552 6.523 5.082 1.00 0.00 C ATOM 460 C1' DG B 7 18.905 5.915 3.838 1.00 0.00 C ATOM 461 N9 DG B 7 17.908 4.932 4.259 1.00 0.00 N ATOM 462 C8 DG B 7 17.843 4.279 5.463 1.00 0.00 C ATOM 463 N7 DG B 7 16.818 3.498 5.572 1.00 0.00 N ATOM 464 C5 DG B 7 16.156 3.632 4.377 1.00 0.00 C ATOM 465 C6 DG B 7 14.977 3.009 3.954 1.00 0.00 C ATOM 466 O6 DG B 7 14.320 2.213 4.615 1.00 0.00 O ATOM 467 N1 DG B 7 14.616 3.396 2.676 1.00 0.00 N ATOM 468 C2 DG B 7 15.334 4.292 1.912 1.00 0.00 C ATOM 469 N2 DG B 7 14.887 4.599 0.694 1.00 0.00 N ATOM 470 N3 DG B 7 16.460 4.892 2.311 1.00 0.00 N ATOM 471 C4 DG B 7 16.810 4.515 3.548 1.00 0.00 C ATOM 0 H5' DG B 7 22.763 5.290 2.608 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.222 6.683 3.567 1.00 0.00 H new ATOM 0 H4' DG B 7 21.226 6.990 2.420 1.00 0.00 H new ATOM 0 H3' DG B 7 21.365 7.903 4.961 1.00 0.00 H new ATOM 0 H2' DG B 7 20.026 5.776 5.719 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.842 7.068 5.704 1.00 0.00 H new ATOM 0 H1' DG B 7 18.348 6.535 3.135 1.00 0.00 H new ATOM 0 H8 DG B 7 18.577 4.405 6.245 1.00 0.00 H new ATOM 0 H1 DG B 7 13.768 2.995 2.275 1.00 0.00 H new ATOM 0 H21 DG B 7 15.403 5.259 0.113 1.00 0.00 H new ATOM 0 H22 DG B 7 14.029 4.173 0.343 1.00 0.00 H new ATOM 483 P DT B 8 20.266 9.514 2.697 1.00 0.00 P ATOM 484 OP1 DT B 8 21.751 9.533 2.671 1.00 0.00 O ATOM 485 OP2 DT B 8 19.520 10.786 2.852 1.00 0.00 O ATOM 486 O5' DT B 8 19.755 8.753 1.376 1.00 0.00 O ATOM 487 C5' DT B 8 19.456 9.350 0.105 1.00 0.00 C ATOM 488 C4' DT B 8 17.991 9.752 0.028 1.00 0.00 C ATOM 489 O4' DT B 8 17.177 8.621 0.351 1.00 0.00 O ATOM 490 C3' DT B 8 17.506 10.881 0.885 1.00 0.00 C ATOM 491 O3' DT B 8 17.935 12.158 0.462 1.00 0.00 O ATOM 492 C2' DT B 8 16.008 10.639 0.772 1.00 0.00 C ATOM 493 C1' DT B 8 15.890 9.098 0.768 1.00 0.00 C ATOM 494 N1 DT B 8 15.608 8.441 2.050 1.00 0.00 N ATOM 495 C2 DT B 8 14.653 7.456 2.163 1.00 0.00 C ATOM 496 O2 DT B 8 13.970 7.089 1.209 1.00 0.00 O ATOM 497 N3 DT B 8 14.515 6.927 3.438 1.00 0.00 N ATOM 498 C4 DT B 8 15.208 7.280 4.568 1.00 0.00 C ATOM 499 O4 DT B 8 14.989 6.727 5.645 1.00 0.00 O ATOM 500 C5 DT B 8 16.169 8.318 4.337 1.00 0.00 C ATOM 501 C7 DT B 8 17.008 8.922 5.410 1.00 0.00 C ATOM 502 C6 DT B 8 16.311 8.818 3.132 1.00 0.00 C ATOM 0 H5' DT B 8 19.687 8.647 -0.695 1.00 0.00 H new ATOM 0 H5'' DT B 8 20.087 10.226 -0.048 1.00 0.00 H new ATOM 0 H4' DT B 8 17.906 10.116 -0.996 1.00 0.00 H new ATOM 0 H3' DT B 8 17.891 10.890 1.905 1.00 0.00 H new ATOM 0 H2' DT B 8 15.466 11.081 1.608 1.00 0.00 H new ATOM 0 H2'' DT B 8 15.599 11.075 -0.139 1.00 0.00 H new ATOM 0 HO3' DT B 8 17.578 12.840 1.068 1.00 0.00 H new ATOM 0 H1' DT B 8 15.038 8.862 0.130 1.00 0.00 H new ATOM 0 H3 DT B 8 13.818 6.191 3.548 1.00 0.00 H new ATOM 0 H71 DT B 8 17.958 9.249 4.988 1.00 0.00 H new ATOM 0 H72 DT B 8 16.488 9.778 5.840 1.00 0.00 H new ATOM 0 H73 DT B 8 17.192 8.181 6.188 1.00 0.00 H new ATOM 0 H6 DT B 8 17.051 9.593 2.999 1.00 0.00 H new TER 516 DT B 8