USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.998 (180deg=-1.56) USER MOD Single : A 10 DT C7 :methyl -30:sc= -1.34 (180deg=-4.16!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -7.023 13.234 -4.080 1.00 0.00 O ATOM 2 C5' DT A 1 -5.843 12.697 -3.474 1.00 0.00 C ATOM 3 C4' DT A 1 -5.325 11.512 -4.254 1.00 0.00 C ATOM 4 O4' DT A 1 -4.046 11.118 -3.702 1.00 0.00 O ATOM 5 C3' DT A 1 -6.217 10.265 -4.206 1.00 0.00 C ATOM 6 O3' DT A 1 -6.477 9.797 -5.535 1.00 0.00 O ATOM 7 C2' DT A 1 -5.396 9.245 -3.432 1.00 0.00 C ATOM 8 C1' DT A 1 -3.975 9.710 -3.665 1.00 0.00 C ATOM 9 N1 DT A 1 -3.012 9.330 -2.613 1.00 0.00 N ATOM 10 C2 DT A 1 -1.860 8.679 -2.992 1.00 0.00 C ATOM 11 O2 DT A 1 -1.600 8.404 -4.151 1.00 0.00 O ATOM 12 N3 DT A 1 -1.017 8.361 -1.961 1.00 0.00 N ATOM 13 C4 DT A 1 -1.205 8.620 -0.620 1.00 0.00 C ATOM 14 O4 DT A 1 -0.361 8.259 0.195 1.00 0.00 O ATOM 15 C5 DT A 1 -2.434 9.307 -0.291 1.00 0.00 C ATOM 16 C7 DT A 1 -2.716 9.645 1.140 1.00 0.00 C ATOM 17 C6 DT A 1 -3.269 9.626 -1.290 1.00 0.00 C ATOM 0 H5' DT A 1 -6.061 12.395 -2.450 1.00 0.00 H new ATOM 0 H5'' DT A 1 -5.074 13.467 -3.422 1.00 0.00 H new ATOM 0 H4' DT A 1 -5.279 11.847 -5.290 1.00 0.00 H new ATOM 0 H3' DT A 1 -7.185 10.455 -3.742 1.00 0.00 H new ATOM 0 H2' DT A 1 -5.651 9.241 -2.372 1.00 0.00 H new ATOM 0 H2'' DT A 1 -5.556 8.232 -3.802 1.00 0.00 H new ATOM 0 HO5' DT A 1 -7.341 13.999 -3.556 1.00 0.00 H new ATOM 0 H1' DT A 1 -3.609 9.239 -4.577 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.154 7.879 -2.213 1.00 0.00 H new ATOM 0 H71 DT A 1 -3.320 10.551 1.188 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.258 8.823 1.608 1.00 0.00 H new ATOM 0 H73 DT A 1 -1.776 9.807 1.668 1.00 0.00 H new ATOM 0 H6 DT A 1 -4.188 10.140 -1.048 1.00 0.00 H new ATOM 31 P DA A 2 -7.464 8.547 -5.766 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.410 8.899 -6.855 1.00 0.00 O ATOM 33 OP2 DA A 2 -7.993 8.130 -4.441 1.00 0.00 O ATOM 34 O5' DA A 2 -6.501 7.390 -6.291 1.00 0.00 O ATOM 35 C5' DA A 2 -5.547 7.640 -7.325 1.00 0.00 C ATOM 36 C4' DA A 2 -4.454 6.597 -7.294 1.00 0.00 C ATOM 37 O4' DA A 2 -3.744 6.698 -6.035 1.00 0.00 O ATOM 38 C3' DA A 2 -4.937 5.145 -7.395 1.00 0.00 C ATOM 39 O3' DA A 2 -4.128 4.422 -8.332 1.00 0.00 O ATOM 40 C2' DA A 2 -4.747 4.599 -5.990 1.00 0.00 C ATOM 41 C1' DA A 2 -3.569 5.405 -5.493 1.00 0.00 C ATOM 42 N9 DA A 2 -3.476 5.532 -4.039 1.00 0.00 N ATOM 43 C8 DA A 2 -4.448 5.943 -3.161 1.00 0.00 C ATOM 44 N7 DA A 2 -4.057 5.957 -1.909 1.00 0.00 N ATOM 45 C5 DA A 2 -2.740 5.523 -1.967 1.00 0.00 C ATOM 46 C6 DA A 2 -1.766 5.318 -0.975 1.00 0.00 C ATOM 47 N6 DA A 2 -1.975 5.531 0.325 1.00 0.00 N ATOM 48 N1 DA A 2 -0.550 4.881 -1.369 1.00 0.00 N ATOM 49 C2 DA A 2 -0.338 4.665 -2.674 1.00 0.00 C ATOM 50 N3 DA A 2 -1.172 4.820 -3.698 1.00 0.00 N ATOM 51 C4 DA A 2 -2.369 5.257 -3.273 1.00 0.00 C ATOM 0 H5' DA A 2 -5.115 8.633 -7.198 1.00 0.00 H new ATOM 0 H5'' DA A 2 -6.042 7.629 -8.296 1.00 0.00 H new ATOM 0 H4' DA A 2 -3.840 6.806 -8.170 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.967 5.060 -7.741 1.00 0.00 H new ATOM 0 H2' DA A 2 -5.632 4.748 -5.372 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.537 3.529 -5.993 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.656 4.895 -5.799 1.00 0.00 H new ATOM 0 H8 DA A 2 -5.442 6.228 -3.472 1.00 0.00 H new ATOM 0 H61 DA A 2 -1.226 5.363 0.996 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.884 5.862 0.648 1.00 0.00 H new ATOM 0 H2 DA A 2 0.651 4.315 -2.931 1.00 0.00 H new ATOM 63 P DT A 3 -4.474 2.889 -8.676 1.00 0.00 P ATOM 64 OP1 DT A 3 -4.436 2.728 -10.151 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.703 2.515 -7.930 1.00 0.00 O ATOM 66 O5' DT A 3 -3.255 2.071 -8.056 1.00 0.00 O ATOM 67 C5' DT A 3 -1.949 2.147 -8.632 1.00 0.00 C ATOM 68 C4' DT A 3 -0.953 1.414 -7.764 1.00 0.00 C ATOM 69 O4' DT A 3 -1.058 1.926 -6.415 1.00 0.00 O ATOM 70 C3' DT A 3 -1.163 -0.102 -7.670 1.00 0.00 C ATOM 71 O3' DT A 3 0.071 -0.782 -7.933 1.00 0.00 O ATOM 72 C2' DT A 3 -1.611 -0.325 -6.234 1.00 0.00 C ATOM 73 C1' DT A 3 -0.996 0.850 -5.507 1.00 0.00 C ATOM 74 N1 DT A 3 -1.700 1.251 -4.275 1.00 0.00 N ATOM 75 C2 DT A 3 -1.004 1.226 -3.089 1.00 0.00 C ATOM 76 O2 DT A 3 0.165 0.890 -3.007 1.00 0.00 O ATOM 77 N3 DT A 3 -1.730 1.609 -1.994 1.00 0.00 N ATOM 78 C4 DT A 3 -3.050 2.003 -1.964 1.00 0.00 C ATOM 79 O4 DT A 3 -3.570 2.312 -0.895 1.00 0.00 O ATOM 80 C5 DT A 3 -3.723 2.005 -3.243 1.00 0.00 C ATOM 81 C7 DT A 3 -5.166 2.399 -3.302 1.00 0.00 C ATOM 82 C6 DT A 3 -3.024 1.636 -4.326 1.00 0.00 C ATOM 0 H5' DT A 3 -1.651 3.190 -8.739 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.959 1.714 -9.632 1.00 0.00 H new ATOM 0 H4' DT A 3 0.017 1.581 -8.232 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.888 -0.481 -8.391 1.00 0.00 H new ATOM 0 H2' DT A 3 -2.697 -0.332 -6.145 1.00 0.00 H new ATOM 0 H2'' DT A 3 -1.253 -1.277 -5.841 1.00 0.00 H new ATOM 0 H1' DT A 3 0.010 0.570 -5.193 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.239 1.602 -1.100 1.00 0.00 H new ATOM 0 H71 DT A 3 -5.654 2.133 -2.365 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.243 3.475 -3.459 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.652 1.876 -4.126 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.521 1.640 -5.285 1.00 0.00 H new ATOM 95 P DC A 4 0.179 -2.369 -7.692 1.00 0.00 P ATOM 96 OP1 DC A 4 1.288 -2.892 -8.531 1.00 0.00 O ATOM 97 OP2 DC A 4 -1.182 -2.946 -7.835 1.00 0.00 O ATOM 98 O5' DC A 4 0.610 -2.492 -6.163 1.00 0.00 O ATOM 99 C5' DC A 4 1.863 -1.976 -5.706 1.00 0.00 C ATOM 100 C4' DC A 4 2.338 -2.752 -4.500 1.00 0.00 C ATOM 101 O4' DC A 4 1.724 -2.186 -3.316 1.00 0.00 O ATOM 102 C3' DC A 4 1.969 -4.236 -4.502 1.00 0.00 C ATOM 103 O3' DC A 4 3.030 -5.018 -3.941 1.00 0.00 O ATOM 104 C2' DC A 4 0.740 -4.296 -3.615 1.00 0.00 C ATOM 105 C1' DC A 4 0.998 -3.183 -2.618 1.00 0.00 C ATOM 106 N1 DC A 4 -0.217 -2.558 -2.070 1.00 0.00 N ATOM 107 C2 DC A 4 -0.336 -2.423 -0.685 1.00 0.00 C ATOM 108 O2 DC A 4 0.581 -2.835 0.040 1.00 0.00 O ATOM 109 N3 DC A 4 -1.447 -1.848 -0.170 1.00 0.00 N ATOM 110 C4 DC A 4 -2.413 -1.418 -0.983 1.00 0.00 C ATOM 111 N4 DC A 4 -3.485 -0.854 -0.429 1.00 0.00 N ATOM 112 C5 DC A 4 -2.319 -1.546 -2.399 1.00 0.00 C ATOM 113 C6 DC A 4 -1.213 -2.116 -2.895 1.00 0.00 C ATOM 0 H5' DC A 4 1.759 -0.921 -5.451 1.00 0.00 H new ATOM 0 H5'' DC A 4 2.603 -2.040 -6.503 1.00 0.00 H new ATOM 0 H4' DC A 4 3.425 -2.679 -4.520 1.00 0.00 H new ATOM 0 H3' DC A 4 1.793 -4.630 -5.503 1.00 0.00 H new ATOM 0 H2' DC A 4 -0.177 -4.129 -4.181 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.641 -5.264 -3.125 1.00 0.00 H new ATOM 0 H1' DC A 4 1.526 -3.614 -1.768 1.00 0.00 H new ATOM 0 H41 DC A 4 -4.244 -0.513 -1.019 1.00 0.00 H new ATOM 0 H42 DC A 4 -3.547 -0.763 0.585 1.00 0.00 H new ATOM 0 H5 DC A 4 -3.109 -1.197 -3.047 1.00 0.00 H new ATOM 0 H6 DC A 4 -1.107 -2.228 -3.964 1.00 0.00 H new ATOM 125 P DA A 5 3.364 -6.467 -4.554 1.00 0.00 P ATOM 126 OP1 DA A 5 4.711 -6.382 -5.173 1.00 0.00 O ATOM 127 OP2 DA A 5 2.208 -6.916 -5.373 1.00 0.00 O ATOM 128 O5' DA A 5 3.467 -7.418 -3.280 1.00 0.00 O ATOM 129 C5' DA A 5 3.932 -6.922 -2.023 1.00 0.00 C ATOM 130 C4' DA A 5 2.923 -7.221 -0.938 1.00 0.00 C ATOM 131 O4' DA A 5 1.673 -6.575 -1.279 1.00 0.00 O ATOM 132 C3' DA A 5 2.603 -8.707 -0.743 1.00 0.00 C ATOM 133 O3' DA A 5 2.710 -9.041 0.646 1.00 0.00 O ATOM 134 C2' DA A 5 1.173 -8.851 -1.243 1.00 0.00 C ATOM 135 C1' DA A 5 0.602 -7.464 -1.046 1.00 0.00 C ATOM 136 N9 DA A 5 -0.483 -7.108 -1.960 1.00 0.00 N ATOM 137 C8 DA A 5 -0.568 -7.346 -3.310 1.00 0.00 C ATOM 138 N7 DA A 5 -1.669 -6.891 -3.858 1.00 0.00 N ATOM 139 C5 DA A 5 -2.356 -6.317 -2.796 1.00 0.00 C ATOM 140 C6 DA A 5 -3.596 -5.659 -2.715 1.00 0.00 C ATOM 141 N6 DA A 5 -4.398 -5.454 -3.762 1.00 0.00 N ATOM 142 N1 DA A 5 -3.990 -5.210 -1.503 1.00 0.00 N ATOM 143 C2 DA A 5 -3.185 -5.412 -0.452 1.00 0.00 C ATOM 144 N3 DA A 5 -1.999 -6.012 -0.403 1.00 0.00 N ATOM 145 C4 DA A 5 -1.638 -6.447 -1.622 1.00 0.00 C ATOM 0 H5' DA A 5 4.100 -5.847 -2.088 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.890 -7.380 -1.775 1.00 0.00 H new ATOM 0 H4' DA A 5 3.375 -6.857 -0.015 1.00 0.00 H new ATOM 0 H3' DA A 5 3.283 -9.372 -1.275 1.00 0.00 H new ATOM 0 H2' DA A 5 1.140 -9.156 -2.289 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.620 -9.599 -0.675 1.00 0.00 H new ATOM 0 H1' DA A 5 0.173 -7.417 -0.045 1.00 0.00 H new ATOM 0 H8 DA A 5 0.200 -7.860 -3.868 1.00 0.00 H new ATOM 0 H61 DA A 5 -5.287 -4.969 -3.637 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.122 -5.782 -4.688 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.551 -5.033 0.491 1.00 0.00 H new HETATM 157 P 0DT A 6 2.197 -10.472 1.166 1.00 0.00 P HETATM 158 OP1 0DT A 6 2.811 -10.732 2.493 1.00 0.00 O HETATM 159 OP2 0DT A 6 2.389 -11.451 0.066 1.00 0.00 O HETATM 160 O5' 0DT A 6 0.634 -10.247 1.365 1.00 0.00 O HETATM 161 C5' 0DT A 6 0.146 -9.278 2.293 1.00 0.00 C HETATM 162 C4' 0DT A 6 -0.057 -9.914 3.649 1.00 0.00 C HETATM 163 O4' 0DT A 6 -0.079 -11.351 3.495 1.00 0.00 O HETATM 164 C3' 0DT A 6 -1.374 -9.581 4.340 1.00 0.00 C HETATM 165 O3' 0DT A 6 -1.251 -9.769 5.754 1.00 0.00 O HETATM 166 C2' 0DT A 6 -2.322 -10.603 3.741 1.00 0.00 C HETATM 167 C1' 0DT A 6 -1.424 -11.820 3.531 1.00 0.00 C HETATM 168 N1 0DT A 6 -1.685 -12.550 2.274 1.00 0.00 N HETATM 169 C2 0DT A 6 -2.249 -13.804 2.352 1.00 0.00 C HETATM 170 O2 0DT A 6 -2.533 -14.341 3.408 1.00 0.00 O HETATM 171 N3 0DT A 6 -2.469 -14.408 1.144 1.00 0.00 N HETATM 172 C4 0DT A 6 -2.191 -13.900 -0.106 1.00 0.00 C HETATM 173 O4 0DT A 6 -2.459 -14.560 -1.106 1.00 0.00 O HETATM 174 C5 0DT A 6 -1.597 -12.582 -0.118 1.00 0.00 C HETATM 175 C5M 0DT A 6 -1.276 -11.941 -1.431 1.00 0.00 C HETATM 176 C6 0DT A 6 -1.371 -11.979 1.057 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.852 -8.451 2.372 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -3.153 -10.825 4.411 1.00 0.00 H new HETATM 0 H73 0DT A 6 -0.567 -12.564 -1.976 1.00 0.00 H new HETATM 0 H72 0DT A 6 -2.189 -11.833 -2.016 1.00 0.00 H new HETATM 0 H71 0DT A 6 -0.838 -10.958 -1.259 1.00 0.00 H new HETATM 0 H6 0DT A 6 -0.917 -10.988 1.052 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -0.795 -8.861 1.934 1.00 0.00 H new HETATM 0 H4' 0DT A 6 0.762 -9.524 4.254 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -1.701 -8.551 4.200 1.00 0.00 H new HETATM 0 H3 0DT A 6 -2.886 -15.339 1.172 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -2.754 -10.253 2.803 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -1.621 -12.517 4.346 1.00 0.00 H new ATOM 189 P DC A 7 -2.313 -9.085 6.750 1.00 0.00 P ATOM 190 OP1 DC A 7 -2.594 -10.068 7.828 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.437 -8.540 5.946 1.00 0.00 O ATOM 192 O5' DC A 7 -1.511 -7.861 7.379 1.00 0.00 O ATOM 193 C5' DC A 7 -1.089 -7.877 8.745 1.00 0.00 C ATOM 194 C4' DC A 7 -0.794 -6.471 9.213 1.00 0.00 C ATOM 195 O4' DC A 7 0.303 -5.936 8.436 1.00 0.00 O ATOM 196 C3' DC A 7 -1.937 -5.480 9.022 1.00 0.00 C ATOM 197 O3' DC A 7 -1.845 -4.422 9.983 1.00 0.00 O ATOM 198 C2' DC A 7 -1.695 -4.963 7.617 1.00 0.00 C ATOM 199 C1' DC A 7 -0.171 -4.957 7.516 1.00 0.00 C ATOM 200 N1 DC A 7 0.379 -5.293 6.188 1.00 0.00 N ATOM 201 C2 DC A 7 1.766 -5.443 6.056 1.00 0.00 C ATOM 202 O2 DC A 7 2.487 -5.268 7.050 1.00 0.00 O ATOM 203 N3 DC A 7 2.285 -5.773 4.852 1.00 0.00 N ATOM 204 C4 DC A 7 1.479 -5.952 3.805 1.00 0.00 C ATOM 205 N4 DC A 7 2.036 -6.285 2.640 1.00 0.00 N ATOM 206 C5 DC A 7 0.066 -5.798 3.903 1.00 0.00 C ATOM 207 C6 DC A 7 -0.437 -5.463 5.102 1.00 0.00 C ATOM 0 H5' DC A 7 -0.200 -8.498 8.852 1.00 0.00 H new ATOM 0 H5'' DC A 7 -1.865 -8.321 9.368 1.00 0.00 H new ATOM 0 H4' DC A 7 -0.589 -6.569 10.279 1.00 0.00 H new ATOM 0 H3' DC A 7 -2.927 -5.917 9.154 1.00 0.00 H new ATOM 0 H2' DC A 7 -2.148 -5.609 6.865 1.00 0.00 H new ATOM 0 H2'' DC A 7 -2.114 -3.967 7.475 1.00 0.00 H new ATOM 0 H1' DC A 7 0.154 -3.938 7.724 1.00 0.00 H new ATOM 0 H41 DC A 7 1.450 -6.430 1.818 1.00 0.00 H new ATOM 0 H42 DC A 7 3.048 -6.395 2.571 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.575 -5.945 3.047 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.503 -5.325 5.211 1.00 0.00 H new ATOM 219 P DG A 8 -3.183 -3.716 10.528 1.00 0.00 P ATOM 220 OP1 DG A 8 -3.163 -3.772 12.012 1.00 0.00 O ATOM 221 OP2 DG A 8 -4.338 -4.287 9.788 1.00 0.00 O ATOM 222 O5' DG A 8 -3.025 -2.194 10.082 1.00 0.00 O ATOM 223 C5' DG A 8 -1.973 -1.377 10.602 1.00 0.00 C ATOM 224 C4' DG A 8 -0.712 -1.560 9.788 1.00 0.00 C ATOM 225 O4' DG A 8 -1.060 -2.049 8.468 1.00 0.00 O ATOM 226 C3' DG A 8 0.091 -0.279 9.557 1.00 0.00 C ATOM 227 O3' DG A 8 1.495 -0.563 9.553 1.00 0.00 O ATOM 228 C2' DG A 8 -0.370 0.173 8.184 1.00 0.00 C ATOM 229 C1' DG A 8 -0.591 -1.150 7.477 1.00 0.00 C ATOM 230 N9 DG A 8 -1.579 -1.104 6.405 1.00 0.00 N ATOM 231 C8 DG A 8 -2.914 -0.808 6.522 1.00 0.00 C ATOM 232 N7 DG A 8 -3.550 -0.837 5.383 1.00 0.00 N ATOM 233 C5 DG A 8 -2.573 -1.175 4.456 1.00 0.00 C ATOM 234 C6 DG A 8 -2.661 -1.356 3.051 1.00 0.00 C ATOM 235 O6 DG A 8 -3.654 -1.250 2.322 1.00 0.00 O ATOM 236 N1 DG A 8 -1.429 -1.693 2.501 1.00 0.00 N ATOM 237 C2 DG A 8 -0.263 -1.839 3.209 1.00 0.00 C ATOM 238 N2 DG A 8 0.823 -2.163 2.501 1.00 0.00 N ATOM 239 N3 DG A 8 -0.167 -1.676 4.517 1.00 0.00 N ATOM 240 C4 DG A 8 -1.352 -1.346 5.072 1.00 0.00 C ATOM 0 H5' DG A 8 -1.782 -1.638 11.643 1.00 0.00 H new ATOM 0 H5'' DG A 8 -2.275 -0.330 10.586 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.102 -2.251 10.370 1.00 0.00 H new ATOM 0 H3' DG A 8 -0.063 0.474 10.329 1.00 0.00 H new ATOM 0 H2' DG A 8 -1.283 0.767 8.235 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.380 0.784 7.682 1.00 0.00 H new ATOM 0 H1' DG A 8 0.348 -1.444 7.008 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.390 -0.574 7.463 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.389 -1.843 1.493 1.00 0.00 H new ATOM 0 H21 DG A 8 1.720 -2.286 2.971 1.00 0.00 H new ATOM 0 H22 DG A 8 0.755 -2.288 1.491 1.00 0.00 H new ATOM 252 P DA A 9 2.551 0.630 9.324 1.00 0.00 P ATOM 253 OP1 DA A 9 3.814 0.273 10.020 1.00 0.00 O ATOM 254 OP2 DA A 9 1.869 1.907 9.655 1.00 0.00 O ATOM 255 O5' DA A 9 2.820 0.611 7.753 1.00 0.00 O ATOM 256 C5' DA A 9 3.639 -0.397 7.157 1.00 0.00 C ATOM 257 C4' DA A 9 4.167 0.077 5.823 1.00 0.00 C ATOM 258 O4' DA A 9 3.121 -0.077 4.831 1.00 0.00 O ATOM 259 C3' DA A 9 4.592 1.549 5.774 1.00 0.00 C ATOM 260 O3' DA A 9 5.839 1.676 5.078 1.00 0.00 O ATOM 261 C2' DA A 9 3.467 2.224 5.007 1.00 0.00 C ATOM 262 C1' DA A 9 2.978 1.122 4.096 1.00 0.00 C ATOM 263 N9 DA A 9 1.577 1.247 3.698 1.00 0.00 N ATOM 264 C8 DA A 9 0.478 1.376 4.511 1.00 0.00 C ATOM 265 N7 DA A 9 -0.653 1.483 3.858 1.00 0.00 N ATOM 266 C5 DA A 9 -0.275 1.416 2.524 1.00 0.00 C ATOM 267 C6 DA A 9 -1.012 1.471 1.330 1.00 0.00 C ATOM 268 N6 DA A 9 -2.337 1.610 1.283 1.00 0.00 N ATOM 269 N1 DA A 9 -0.331 1.375 0.167 1.00 0.00 N ATOM 270 C2 DA A 9 1.000 1.232 0.214 1.00 0.00 C ATOM 271 N3 DA A 9 1.803 1.168 1.273 1.00 0.00 N ATOM 272 C4 DA A 9 1.095 1.268 2.411 1.00 0.00 C ATOM 0 H5' DA A 9 3.062 -1.312 7.023 1.00 0.00 H new ATOM 0 H5'' DA A 9 4.470 -0.639 7.820 1.00 0.00 H new ATOM 0 H4' DA A 9 5.055 -0.527 5.637 1.00 0.00 H new ATOM 0 H3' DA A 9 4.744 1.989 6.760 1.00 0.00 H new ATOM 0 H2' DA A 9 2.680 2.579 5.672 1.00 0.00 H new ATOM 0 H2'' DA A 9 3.822 3.087 4.444 1.00 0.00 H new ATOM 0 H1' DA A 9 3.557 1.158 3.173 1.00 0.00 H new ATOM 0 H8 DA A 9 0.540 1.388 5.589 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.815 1.643 0.382 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.873 1.683 2.148 1.00 0.00 H new ATOM 0 H2 DA A 9 1.492 1.158 -0.745 1.00 0.00 H new ATOM 284 P DT A 10 6.448 3.136 4.772 1.00 0.00 P ATOM 285 OP1 DT A 10 7.866 3.140 5.211 1.00 0.00 O ATOM 286 OP2 DT A 10 5.514 4.161 5.306 1.00 0.00 O ATOM 287 O5' DT A 10 6.425 3.228 3.182 1.00 0.00 O ATOM 288 C5' DT A 10 6.830 2.117 2.378 1.00 0.00 C ATOM 289 C4' DT A 10 6.624 2.428 0.913 1.00 0.00 C ATOM 290 O4' DT A 10 5.203 2.533 0.650 1.00 0.00 O ATOM 291 C3' DT A 10 7.232 3.748 0.441 1.00 0.00 C ATOM 292 O3' DT A 10 7.703 3.617 -0.906 1.00 0.00 O ATOM 293 C2' DT A 10 6.063 4.711 0.517 1.00 0.00 C ATOM 294 C1' DT A 10 4.901 3.817 0.128 1.00 0.00 C ATOM 295 N1 DT A 10 3.591 4.228 0.669 1.00 0.00 N ATOM 296 C2 DT A 10 2.546 4.379 -0.214 1.00 0.00 C ATOM 297 O2 DT A 10 2.655 4.193 -1.415 1.00 0.00 O ATOM 298 N3 DT A 10 1.364 4.758 0.360 1.00 0.00 N ATOM 299 C4 DT A 10 1.122 4.997 1.694 1.00 0.00 C ATOM 300 O4 DT A 10 -0.002 5.328 2.059 1.00 0.00 O ATOM 301 C5 DT A 10 2.261 4.824 2.567 1.00 0.00 C ATOM 302 C7 DT A 10 2.094 5.077 4.033 1.00 0.00 C ATOM 303 C6 DT A 10 3.428 4.451 2.021 1.00 0.00 C ATOM 0 H5' DT A 10 6.257 1.232 2.653 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.879 1.888 2.564 1.00 0.00 H new ATOM 0 H4' DT A 10 7.120 1.616 0.381 1.00 0.00 H new ATOM 0 H3' DT A 10 8.087 4.074 1.033 1.00 0.00 H new ATOM 0 H2' DT A 10 5.941 5.129 1.516 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.180 5.551 -0.167 1.00 0.00 H new ATOM 0 H1' DT A 10 4.801 3.858 -0.957 1.00 0.00 H new ATOM 0 H3 DT A 10 0.572 4.877 -0.272 1.00 0.00 H new ATOM 0 H71 DT A 10 1.326 5.835 4.186 1.00 0.00 H new ATOM 0 H72 DT A 10 1.796 4.154 4.530 1.00 0.00 H new ATOM 0 H73 DT A 10 3.038 5.426 4.452 1.00 0.00 H new ATOM 0 H6 DT A 10 4.281 4.319 2.670 1.00 0.00 H new ATOM 316 P DA A 11 8.744 4.690 -1.498 1.00 0.00 P ATOM 317 OP1 DA A 11 10.047 3.996 -1.658 1.00 0.00 O ATOM 318 OP2 DA A 11 8.670 5.930 -0.684 1.00 0.00 O ATOM 319 O5' DA A 11 8.175 5.016 -2.951 1.00 0.00 O ATOM 320 C5' DA A 11 8.226 4.042 -3.996 1.00 0.00 C ATOM 321 C4' DA A 11 7.486 4.542 -5.215 1.00 0.00 C ATOM 322 O4' DA A 11 6.102 4.776 -4.863 1.00 0.00 O ATOM 323 C3' DA A 11 7.992 5.865 -5.785 1.00 0.00 C ATOM 324 O3' DA A 11 7.781 5.924 -7.198 1.00 0.00 O ATOM 325 C2' DA A 11 7.137 6.896 -5.072 1.00 0.00 C ATOM 326 C1' DA A 11 5.816 6.169 -4.864 1.00 0.00 C ATOM 327 N9 DA A 11 5.150 6.488 -3.602 1.00 0.00 N ATOM 328 C8 DA A 11 5.721 6.575 -2.357 1.00 0.00 C ATOM 329 N7 DA A 11 4.872 6.878 -1.406 1.00 0.00 N ATOM 330 C5 DA A 11 3.660 7.000 -2.069 1.00 0.00 C ATOM 331 C6 DA A 11 2.365 7.311 -1.620 1.00 0.00 C ATOM 332 N6 DA A 11 2.065 7.562 -0.346 1.00 0.00 N ATOM 333 N1 DA A 11 1.376 7.355 -2.538 1.00 0.00 N ATOM 334 C2 DA A 11 1.678 7.101 -3.819 1.00 0.00 C ATOM 335 N3 DA A 11 2.855 6.797 -4.362 1.00 0.00 N ATOM 336 C4 DA A 11 3.816 6.763 -3.422 1.00 0.00 C ATOM 0 H5' DA A 11 7.785 3.107 -3.652 1.00 0.00 H new ATOM 0 H5'' DA A 11 9.263 3.829 -4.254 1.00 0.00 H new ATOM 0 H4' DA A 11 7.636 3.767 -5.967 1.00 0.00 H new ATOM 0 H3' DA A 11 9.061 6.015 -5.636 1.00 0.00 H new ATOM 0 H2' DA A 11 7.581 7.202 -4.125 1.00 0.00 H new ATOM 0 H2'' DA A 11 7.010 7.798 -5.671 1.00 0.00 H new ATOM 0 HO3' DA A 11 8.111 6.780 -7.543 1.00 0.00 H new ATOM 0 H1' DA A 11 5.142 6.481 -5.662 1.00 0.00 H new ATOM 0 H8 DA A 11 6.773 6.409 -2.178 1.00 0.00 H new ATOM 0 H61 DA A 11 1.105 7.782 -0.082 1.00 0.00 H new ATOM 0 H62 DA A 11 2.796 7.534 0.365 1.00 0.00 H new ATOM 0 H2 DA A 11 0.848 7.150 -4.509 1.00 0.00 H new TER 349 DA A 11