USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.0039) USER MOD Set 1.2: A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.167) USER MOD Single : A 1 DC O5' : rot 39:sc= 0.0685 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc=-0.00463 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.213 -2.483 9.610 1.00 0.00 O ATOM 2 C5' DC A 1 11.195 -3.561 10.550 1.00 0.00 C ATOM 3 C4' DC A 1 9.782 -3.868 10.989 1.00 0.00 C ATOM 4 O4' DC A 1 9.059 -2.619 11.130 1.00 0.00 O ATOM 5 C3' DC A 1 8.972 -4.719 10.008 1.00 0.00 C ATOM 6 O3' DC A 1 8.150 -5.654 10.716 1.00 0.00 O ATOM 7 C2' DC A 1 8.114 -3.702 9.277 1.00 0.00 C ATOM 8 C1' DC A 1 7.886 -2.641 10.335 1.00 0.00 C ATOM 9 N1 DC A 1 7.669 -1.281 9.811 1.00 0.00 N ATOM 10 C2 DC A 1 6.498 -0.602 10.162 1.00 0.00 C ATOM 11 O2 DC A 1 5.675 -1.165 10.898 1.00 0.00 O ATOM 12 N3 DC A 1 6.292 0.648 9.691 1.00 0.00 N ATOM 13 C4 DC A 1 7.201 1.221 8.899 1.00 0.00 C ATOM 14 N4 DC A 1 6.958 2.457 8.464 1.00 0.00 N ATOM 15 C5 DC A 1 8.401 0.551 8.522 1.00 0.00 C ATOM 16 C6 DC A 1 8.593 -0.686 8.997 1.00 0.00 C ATOM 0 H5' DC A 1 11.802 -3.303 11.418 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.642 -4.448 10.101 1.00 0.00 H new ATOM 0 H4' DC A 1 9.885 -4.433 11.916 1.00 0.00 H new ATOM 0 H3' DC A 1 9.598 -5.307 9.337 1.00 0.00 H new ATOM 0 H2' DC A 1 8.622 -3.298 8.401 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.177 -4.137 8.930 1.00 0.00 H new ATOM 0 HO5' DC A 1 10.555 -1.807 9.875 1.00 0.00 H new ATOM 0 H1' DC A 1 6.976 -2.902 10.875 1.00 0.00 H new ATOM 0 H41 DC A 1 7.631 2.926 7.857 1.00 0.00 H new ATOM 0 H42 DC A 1 6.099 2.934 8.738 1.00 0.00 H new ATOM 0 H5 DC A 1 9.128 1.023 7.878 1.00 0.00 H new ATOM 0 H6 DC A 1 9.492 -1.223 8.733 1.00 0.00 H new ATOM 29 P DA A 2 7.266 -6.721 9.897 1.00 0.00 P ATOM 30 OP1 DA A 2 6.966 -7.843 10.824 1.00 0.00 O ATOM 31 OP2 DA A 2 7.941 -7.000 8.604 1.00 0.00 O ATOM 32 O5' DA A 2 5.904 -5.949 9.597 1.00 0.00 O ATOM 33 C5' DA A 2 4.958 -5.698 10.638 1.00 0.00 C ATOM 34 C4' DA A 2 3.655 -5.194 10.059 1.00 0.00 C ATOM 35 O4' DA A 2 3.811 -3.799 9.712 1.00 0.00 O ATOM 36 C3' DA A 2 3.176 -5.907 8.787 1.00 0.00 C ATOM 37 O3' DA A 2 1.885 -6.490 9.041 1.00 0.00 O ATOM 38 C2' DA A 2 3.136 -4.810 7.732 1.00 0.00 C ATOM 39 C1' DA A 2 3.076 -3.536 8.539 1.00 0.00 C ATOM 40 N9 DA A 2 3.676 -2.379 7.881 1.00 0.00 N ATOM 41 C8 DA A 2 4.763 -2.381 7.049 1.00 0.00 C ATOM 42 N7 DA A 2 5.111 -1.189 6.629 1.00 0.00 N ATOM 43 C5 DA A 2 4.174 -0.347 7.211 1.00 0.00 C ATOM 44 C6 DA A 2 3.988 1.043 7.154 1.00 0.00 C ATOM 45 N6 DA A 2 4.780 1.868 6.467 1.00 0.00 N ATOM 46 N1 DA A 2 2.949 1.566 7.841 1.00 0.00 N ATOM 47 C2 DA A 2 2.159 0.738 8.539 1.00 0.00 C ATOM 48 N3 DA A 2 2.240 -0.582 8.678 1.00 0.00 N ATOM 49 C4 DA A 2 3.279 -1.068 7.979 1.00 0.00 C ATOM 0 H5' DA A 2 5.361 -4.963 11.335 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.781 -6.612 11.205 1.00 0.00 H new ATOM 0 H4' DA A 2 2.912 -5.383 10.834 1.00 0.00 H new ATOM 0 H3' DA A 2 3.817 -6.725 8.459 1.00 0.00 H new ATOM 0 H2' DA A 2 4.019 -4.837 7.093 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.268 -4.912 7.081 1.00 0.00 H new ATOM 0 H1' DA A 2 2.029 -3.280 8.704 1.00 0.00 H new ATOM 0 H8 DA A 2 5.286 -3.282 6.765 1.00 0.00 H new ATOM 0 H61 DA A 2 4.592 2.871 6.464 1.00 0.00 H new ATOM 0 H62 DA A 2 5.573 1.496 5.944 1.00 0.00 H new ATOM 0 H2 DA A 2 1.341 1.210 9.063 1.00 0.00 H new ATOM 61 P DG A 3 0.804 -6.636 7.855 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.167 -7.670 8.294 1.00 0.00 O ATOM 63 OP2 DG A 3 1.508 -6.799 6.555 1.00 0.00 O ATOM 64 O5' DG A 3 0.049 -5.231 7.860 1.00 0.00 O ATOM 65 C5' DG A 3 -0.470 -4.686 9.077 1.00 0.00 C ATOM 66 C4' DG A 3 -1.611 -3.738 8.787 1.00 0.00 C ATOM 67 O4' DG A 3 -1.068 -2.459 8.376 1.00 0.00 O ATOM 68 C3' DG A 3 -2.557 -4.186 7.672 1.00 0.00 C ATOM 69 O3' DG A 3 -3.915 -3.908 8.027 1.00 0.00 O ATOM 70 C2' DG A 3 -2.127 -3.363 6.473 1.00 0.00 C ATOM 71 C1' DG A 3 -1.477 -2.126 7.059 1.00 0.00 C ATOM 72 N9 DG A 3 -0.298 -1.687 6.322 1.00 0.00 N ATOM 73 C8 DG A 3 0.706 -2.488 5.845 1.00 0.00 C ATOM 74 N7 DG A 3 1.660 -1.825 5.253 1.00 0.00 N ATOM 75 C5 DG A 3 1.250 -0.501 5.325 1.00 0.00 C ATOM 76 C6 DG A 3 1.871 0.681 4.845 1.00 0.00 C ATOM 77 O6 DG A 3 2.952 0.801 4.255 1.00 0.00 O ATOM 78 N1 DG A 3 1.104 1.807 5.117 1.00 0.00 N ATOM 79 C2 DG A 3 -0.103 1.801 5.770 1.00 0.00 C ATOM 80 N2 DG A 3 -0.697 2.991 5.917 1.00 0.00 N ATOM 81 N3 DG A 3 -0.688 0.709 6.235 1.00 0.00 N ATOM 82 C4 DG A 3 0.038 -0.399 5.976 1.00 0.00 C ATOM 0 H5' DG A 3 0.320 -4.160 9.613 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.814 -5.491 9.726 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.187 -3.696 9.712 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.508 -5.257 7.478 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.429 -3.916 5.845 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.980 -3.102 5.847 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.201 -1.313 7.020 1.00 0.00 H new ATOM 0 H8 DG A 3 0.707 -3.563 5.949 1.00 0.00 H new ATOM 0 H1 DG A 3 1.466 2.709 4.807 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.597 3.057 6.393 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.250 3.832 5.553 1.00 0.00 H new ATOM 94 P DT A 4 -5.113 -4.559 7.173 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.181 -4.948 8.129 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.547 -5.577 6.251 1.00 0.00 O ATOM 97 O5' DT A 4 -5.649 -3.343 6.296 1.00 0.00 O ATOM 98 C5' DT A 4 -6.128 -2.151 6.918 1.00 0.00 C ATOM 99 C4' DT A 4 -5.866 -0.957 6.031 1.00 0.00 C ATOM 100 O4' DT A 4 -4.477 -0.977 5.623 1.00 0.00 O ATOM 101 C3' DT A 4 -6.697 -0.902 4.744 1.00 0.00 C ATOM 102 O3' DT A 4 -7.500 0.281 4.722 1.00 0.00 O ATOM 103 C2' DT A 4 -5.672 -0.873 3.620 1.00 0.00 C ATOM 104 C1' DT A 4 -4.370 -0.507 4.299 1.00 0.00 C ATOM 105 N1 DT A 4 -3.170 -1.115 3.690 1.00 0.00 N ATOM 106 C2 DT A 4 -2.115 -0.288 3.387 1.00 0.00 C ATOM 107 O2 DT A 4 -2.136 0.912 3.615 1.00 0.00 O ATOM 108 N3 DT A 4 -1.029 -0.905 2.804 1.00 0.00 N ATOM 109 C4 DT A 4 -0.931 -2.257 2.507 1.00 0.00 C ATOM 110 O4 DT A 4 0.091 -2.692 1.982 1.00 0.00 O ATOM 111 C5 DT A 4 -2.078 -3.064 2.852 1.00 0.00 C ATOM 112 C7 DT A 4 -2.082 -4.512 2.470 1.00 0.00 C ATOM 113 C6 DT A 4 -3.124 -2.466 3.429 1.00 0.00 C ATOM 0 H5' DT A 4 -5.637 -2.012 7.881 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.196 -2.239 7.115 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.141 -0.091 6.633 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.379 -1.747 4.655 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.601 -1.841 3.123 1.00 0.00 H new ATOM 0 H2'' DT A 4 -5.941 -0.142 2.858 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.235 0.571 4.213 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.497 -4.650 1.561 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.645 -5.102 3.276 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.107 -4.839 2.295 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.975 -3.072 3.704 1.00 0.00 H new ATOM 125 P DT A 5 -8.511 0.536 3.498 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.538 1.503 3.962 1.00 0.00 O ATOM 127 OP2 DT A 5 -8.936 -0.778 2.951 1.00 0.00 O ATOM 128 O5' DT A 5 -7.606 1.262 2.408 1.00 0.00 O ATOM 129 C5' DT A 5 -6.819 2.401 2.754 1.00 0.00 C ATOM 130 C4' DT A 5 -6.232 3.028 1.512 1.00 0.00 C ATOM 131 O4' DT A 5 -5.077 2.259 1.104 1.00 0.00 O ATOM 132 C3' DT A 5 -7.172 3.070 0.304 1.00 0.00 C ATOM 133 O3' DT A 5 -7.127 4.369 -0.293 1.00 0.00 O ATOM 134 C2' DT A 5 -6.615 2.024 -0.644 1.00 0.00 C ATOM 135 C1' DT A 5 -5.152 1.958 -0.276 1.00 0.00 C ATOM 136 N1 DT A 5 -4.514 0.647 -0.479 1.00 0.00 N ATOM 137 C2 DT A 5 -3.303 0.619 -1.129 1.00 0.00 C ATOM 138 O2 DT A 5 -2.757 1.620 -1.562 1.00 0.00 O ATOM 139 N3 DT A 5 -2.752 -0.624 -1.258 1.00 0.00 N ATOM 140 C4 DT A 5 -3.280 -1.820 -0.822 1.00 0.00 C ATOM 141 O4 DT A 5 -2.639 -2.857 -0.964 1.00 0.00 O ATOM 142 C5 DT A 5 -4.566 -1.724 -0.166 1.00 0.00 C ATOM 143 C7 DT A 5 -5.251 -2.981 0.272 1.00 0.00 C ATOM 144 C6 DT A 5 -5.114 -0.509 -0.021 1.00 0.00 C ATOM 0 H5' DT A 5 -6.019 2.106 3.434 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.434 3.130 3.282 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.004 4.057 1.790 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.212 2.873 0.564 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.106 1.060 -0.511 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.754 2.312 -1.686 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.623 2.653 -0.928 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.849 -0.673 -1.730 1.00 0.00 H new ATOM 0 H71 DT A 5 -4.974 -3.798 -0.394 1.00 0.00 H new ATOM 0 H72 DT A 5 -4.948 -3.225 1.290 1.00 0.00 H new ATOM 0 H73 DT A 5 -6.331 -2.837 0.240 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.069 -0.431 0.477 1.00 0.00 H new ATOM 157 P DC A 6 -8.284 4.823 -1.310 1.00 0.00 P ATOM 158 OP1 DC A 6 -8.691 6.195 -0.915 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.307 3.748 -1.389 1.00 0.00 O ATOM 160 O5' DC A 6 -7.542 4.914 -2.716 1.00 0.00 O ATOM 161 C5' DC A 6 -6.419 5.777 -2.895 1.00 0.00 C ATOM 162 C4' DC A 6 -5.471 5.198 -3.918 1.00 0.00 C ATOM 163 O4' DC A 6 -5.122 3.851 -3.526 1.00 0.00 O ATOM 164 C3' DC A 6 -6.034 5.099 -5.341 1.00 0.00 C ATOM 165 O3' DC A 6 -5.228 5.869 -6.241 1.00 0.00 O ATOM 166 C2' DC A 6 -5.956 3.618 -5.684 1.00 0.00 C ATOM 167 C1' DC A 6 -4.958 3.072 -4.688 1.00 0.00 C ATOM 168 N1 DC A 6 -5.158 1.661 -4.324 1.00 0.00 N ATOM 169 C2 DC A 6 -4.058 0.802 -4.342 1.00 0.00 C ATOM 170 O2 DC A 6 -2.951 1.251 -4.671 1.00 0.00 O ATOM 171 N3 DC A 6 -4.225 -0.496 -4.005 1.00 0.00 N ATOM 172 C4 DC A 6 -5.432 -0.944 -3.657 1.00 0.00 C ATOM 173 N4 DC A 6 -5.546 -2.230 -3.325 1.00 0.00 N ATOM 174 C5 DC A 6 -6.575 -0.092 -3.634 1.00 0.00 C ATOM 175 C6 DC A 6 -6.394 1.192 -3.972 1.00 0.00 C ATOM 0 H5' DC A 6 -5.901 5.913 -1.945 1.00 0.00 H new ATOM 0 H5'' DC A 6 -6.756 6.762 -3.218 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.626 5.886 -3.941 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.051 5.484 -5.418 1.00 0.00 H new ATOM 0 H2' DC A 6 -6.927 3.132 -5.585 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.624 3.462 -6.710 1.00 0.00 H new ATOM 0 H1' DC A 6 -3.966 3.121 -5.138 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.454 -2.608 -3.053 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.726 -2.836 -3.343 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.549 -0.467 -3.355 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.237 1.867 -3.966 1.00 0.00 H new ATOM 187 P DC A 7 -5.511 5.807 -7.823 1.00 0.00 P ATOM 188 OP1 DC A 7 -4.912 7.025 -8.426 1.00 0.00 O ATOM 189 OP2 DC A 7 -6.952 5.517 -8.035 1.00 0.00 O ATOM 190 O5' DC A 7 -4.673 4.544 -8.315 1.00 0.00 O ATOM 191 C5' DC A 7 -3.245 4.549 -8.279 1.00 0.00 C ATOM 192 C4' DC A 7 -2.694 3.489 -9.203 1.00 0.00 C ATOM 193 O4' DC A 7 -2.906 2.195 -8.593 1.00 0.00 O ATOM 194 C3' DC A 7 -3.347 3.427 -10.588 1.00 0.00 C ATOM 195 O3' DC A 7 -2.345 3.544 -11.604 1.00 0.00 O ATOM 196 C2' DC A 7 -4.003 2.056 -10.648 1.00 0.00 C ATOM 197 C1' DC A 7 -3.274 1.263 -9.585 1.00 0.00 C ATOM 198 N1 DC A 7 -4.066 0.208 -8.933 1.00 0.00 N ATOM 199 C2 DC A 7 -3.483 -1.044 -8.743 1.00 0.00 C ATOM 200 O2 DC A 7 -2.332 -1.238 -9.156 1.00 0.00 O ATOM 201 N3 DC A 7 -4.185 -2.014 -8.119 1.00 0.00 N ATOM 202 C4 DC A 7 -5.426 -1.770 -7.694 1.00 0.00 C ATOM 203 N4 DC A 7 -6.075 -2.754 -7.071 1.00 0.00 N ATOM 204 C5 DC A 7 -6.054 -0.505 -7.887 1.00 0.00 C ATOM 205 C6 DC A 7 -5.343 0.447 -8.507 1.00 0.00 C ATOM 0 H5' DC A 7 -2.899 4.369 -7.261 1.00 0.00 H new ATOM 0 H5'' DC A 7 -2.870 5.529 -8.574 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.646 3.750 -9.348 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.065 4.232 -10.748 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.072 2.114 -10.442 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.892 1.602 -11.633 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.444 0.751 -10.071 1.00 0.00 H new ATOM 0 H41 DC A 7 -7.025 -2.604 -6.732 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.621 -3.657 -6.933 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.063 -0.321 -7.547 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.786 1.418 -8.673 1.00 0.00 H new ATOM 217 P DA A 8 -2.769 3.927 -13.106 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.605 5.396 -13.247 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.084 3.304 -13.405 1.00 0.00 O ATOM 220 O5' DA A 8 -1.665 3.218 -14.009 1.00 0.00 O ATOM 221 C5' DA A 8 -0.272 3.388 -13.737 1.00 0.00 C ATOM 222 C4' DA A 8 0.497 2.157 -14.154 1.00 0.00 C ATOM 223 O4' DA A 8 -0.100 1.005 -13.515 1.00 0.00 O ATOM 224 C3' DA A 8 0.499 1.871 -15.657 1.00 0.00 C ATOM 225 O3' DA A 8 1.793 1.450 -16.091 1.00 0.00 O ATOM 226 C2' DA A 8 -0.507 0.747 -15.830 1.00 0.00 C ATOM 227 C1' DA A 8 -0.571 0.072 -14.471 1.00 0.00 C ATOM 228 N9 DA A 8 -1.922 -0.320 -14.077 1.00 0.00 N ATOM 229 C8 DA A 8 -3.068 0.426 -14.195 1.00 0.00 C ATOM 230 N7 DA A 8 -4.143 -0.186 -13.762 1.00 0.00 N ATOM 231 C5 DA A 8 -3.672 -1.417 -13.325 1.00 0.00 C ATOM 232 C6 DA A 8 -4.316 -2.528 -12.755 1.00 0.00 C ATOM 233 N6 DA A 8 -5.628 -2.584 -12.518 1.00 0.00 N ATOM 234 N1 DA A 8 -3.556 -3.595 -12.431 1.00 0.00 N ATOM 235 C2 DA A 8 -2.239 -3.542 -12.670 1.00 0.00 C ATOM 236 N3 DA A 8 -1.520 -2.557 -13.203 1.00 0.00 N ATOM 237 C4 DA A 8 -2.305 -1.512 -13.512 1.00 0.00 C ATOM 0 H5' DA A 8 -0.122 3.576 -12.674 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.106 4.260 -14.271 1.00 0.00 H new ATOM 0 H4' DA A 8 1.529 2.346 -13.858 1.00 0.00 H new ATOM 0 H3' DA A 8 0.247 2.754 -16.245 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.483 1.131 -16.127 1.00 0.00 H new ATOM 0 H2'' DA A 8 -0.190 0.048 -16.604 1.00 0.00 H new ATOM 0 HO3' DA A 8 1.773 1.271 -17.054 1.00 0.00 H new ATOM 0 H1' DA A 8 0.028 -0.837 -14.525 1.00 0.00 H new ATOM 0 H8 DA A 8 -3.083 1.424 -14.606 1.00 0.00 H new ATOM 0 H61 DA A 8 -6.036 -3.421 -12.101 1.00 0.00 H new ATOM 0 H62 DA A 8 -6.223 -1.790 -12.754 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.682 -4.424 -12.390 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.497 -11.329 -9.338 1.00 0.00 O ATOM 252 C5' DT B 9 -4.402 -11.992 -9.978 1.00 0.00 C ATOM 253 C4' DT B 9 -3.135 -11.175 -9.873 1.00 0.00 C ATOM 254 O4' DT B 9 -3.278 -9.987 -10.690 1.00 0.00 O ATOM 255 C3' DT B 9 -2.805 -10.675 -8.466 1.00 0.00 C ATOM 256 O3' DT B 9 -1.388 -10.642 -8.265 1.00 0.00 O ATOM 257 C2' DT B 9 -3.377 -9.270 -8.455 1.00 0.00 C ATOM 258 C1' DT B 9 -3.143 -8.825 -9.886 1.00 0.00 C ATOM 259 N1 DT B 9 -4.099 -7.816 -10.381 1.00 0.00 N ATOM 260 C2 DT B 9 -3.595 -6.623 -10.846 1.00 0.00 C ATOM 261 O2 DT B 9 -2.403 -6.371 -10.876 1.00 0.00 O ATOM 262 N3 DT B 9 -4.540 -5.733 -11.278 1.00 0.00 N ATOM 263 C4 DT B 9 -5.905 -5.908 -11.294 1.00 0.00 C ATOM 264 O4 DT B 9 -6.630 -5.006 -11.704 1.00 0.00 O ATOM 265 C5 DT B 9 -6.369 -7.185 -10.798 1.00 0.00 C ATOM 266 C7 DT B 9 -7.839 -7.465 -10.778 1.00 0.00 C ATOM 267 C6 DT B 9 -5.455 -8.069 -10.370 1.00 0.00 C ATOM 0 H5' DT B 9 -4.641 -12.165 -11.027 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.247 -12.969 -9.521 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.337 -11.846 -10.190 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.210 -11.310 -7.678 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.435 -9.262 -8.193 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.866 -8.627 -7.739 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.305 -11.877 -9.421 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.160 -8.356 -9.932 1.00 0.00 H new ATOM 0 H3 DT B 9 -4.194 -4.839 -11.627 1.00 0.00 H new ATOM 0 H71 DT B 9 -8.007 -8.534 -10.905 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.258 -7.142 -9.825 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.324 -6.922 -11.590 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.797 -9.024 -9.999 1.00 0.00 H new ATOM 281 P DG B 10 -0.786 -10.856 -6.790 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.478 -12.301 -6.646 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.693 -10.199 -5.814 1.00 0.00 O ATOM 284 O5' DG B 10 0.593 -10.056 -6.812 1.00 0.00 O ATOM 285 C5' DG B 10 1.659 -10.447 -7.680 1.00 0.00 C ATOM 286 C4' DG B 10 2.579 -9.277 -7.941 1.00 0.00 C ATOM 287 O4' DG B 10 1.785 -8.119 -8.294 1.00 0.00 O ATOM 288 C3' DG B 10 3.431 -8.840 -6.751 1.00 0.00 C ATOM 289 O3' DG B 10 4.682 -8.303 -7.202 1.00 0.00 O ATOM 290 C2' DG B 10 2.585 -7.766 -6.095 1.00 0.00 C ATOM 291 C1' DG B 10 1.842 -7.141 -7.263 1.00 0.00 C ATOM 292 N9 DG B 10 0.474 -6.744 -6.951 1.00 0.00 N ATOM 293 C8 DG B 10 -0.443 -7.451 -6.215 1.00 0.00 C ATOM 294 N7 DG B 10 -1.594 -6.846 -6.107 1.00 0.00 N ATOM 295 C5 DG B 10 -1.423 -5.662 -6.812 1.00 0.00 C ATOM 296 C6 DG B 10 -2.325 -4.592 -7.048 1.00 0.00 C ATOM 297 O6 DG B 10 -3.498 -4.472 -6.669 1.00 0.00 O ATOM 298 N1 DG B 10 -1.739 -3.589 -7.812 1.00 0.00 N ATOM 299 C2 DG B 10 -0.452 -3.611 -8.289 1.00 0.00 C ATOM 300 N2 DG B 10 -0.068 -2.550 -9.007 1.00 0.00 N ATOM 301 N3 DG B 10 0.397 -4.599 -8.078 1.00 0.00 N ATOM 302 C4 DG B 10 -0.151 -5.585 -7.338 1.00 0.00 C ATOM 0 H5' DG B 10 1.253 -10.816 -8.622 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.220 -11.267 -7.231 1.00 0.00 H new ATOM 0 H4' DG B 10 3.247 -9.624 -8.730 1.00 0.00 H new ATOM 0 H3' DG B 10 3.681 -9.657 -6.073 1.00 0.00 H new ATOM 0 H2' DG B 10 1.898 -8.188 -5.361 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.200 -7.034 -5.572 1.00 0.00 H new ATOM 0 H1' DG B 10 2.378 -6.235 -7.546 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.233 -8.412 -5.770 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.310 -2.774 -8.035 1.00 0.00 H new ATOM 0 H21 DG B 10 0.877 -2.507 -9.389 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.720 -1.783 -9.173 1.00 0.00 H new ATOM 314 P DG B 11 5.612 -7.469 -6.186 1.00 0.00 P ATOM 315 OP1 DG B 11 6.916 -7.250 -6.861 1.00 0.00 O ATOM 316 OP2 DG B 11 5.577 -8.140 -4.861 1.00 0.00 O ATOM 317 O5' DG B 11 4.878 -6.060 -6.051 1.00 0.00 O ATOM 318 C5' DG B 11 5.062 -5.033 -7.030 1.00 0.00 C ATOM 319 C4' DG B 11 4.930 -3.668 -6.395 1.00 0.00 C ATOM 320 O4' DG B 11 3.525 -3.349 -6.237 1.00 0.00 O ATOM 321 C3' DG B 11 5.559 -3.533 -5.003 1.00 0.00 C ATOM 322 O3' DG B 11 6.340 -2.334 -4.941 1.00 0.00 O ATOM 323 C2' DG B 11 4.365 -3.460 -4.069 1.00 0.00 C ATOM 324 C1' DG B 11 3.306 -2.828 -4.941 1.00 0.00 C ATOM 325 N9 DG B 11 1.936 -3.142 -4.553 1.00 0.00 N ATOM 326 C8 DG B 11 1.497 -4.297 -3.958 1.00 0.00 C ATOM 327 N7 DG B 11 0.214 -4.303 -3.724 1.00 0.00 N ATOM 328 C5 DG B 11 -0.222 -3.069 -4.191 1.00 0.00 C ATOM 329 C6 DG B 11 -1.521 -2.497 -4.205 1.00 0.00 C ATOM 330 O6 DG B 11 -2.583 -2.980 -3.796 1.00 0.00 O ATOM 331 N1 DG B 11 -1.513 -1.225 -4.766 1.00 0.00 N ATOM 332 C2 DG B 11 -0.401 -0.585 -5.251 1.00 0.00 C ATOM 333 N2 DG B 11 -0.597 0.643 -5.744 1.00 0.00 N ATOM 334 N3 DG B 11 0.812 -1.107 -5.250 1.00 0.00 N ATOM 335 C4 DG B 11 0.829 -2.342 -4.707 1.00 0.00 C ATOM 0 H5' DG B 11 4.325 -5.144 -7.825 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.045 -5.133 -7.491 1.00 0.00 H new ATOM 0 H4' DG B 11 5.463 -2.996 -7.068 1.00 0.00 H new ATOM 0 H3' DG B 11 6.229 -4.353 -4.747 1.00 0.00 H new ATOM 0 H2' DG B 11 4.065 -4.447 -3.716 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.577 -2.857 -3.186 1.00 0.00 H new ATOM 0 H1' DG B 11 3.396 -1.745 -4.862 1.00 0.00 H new ATOM 0 H8 DG B 11 2.149 -5.120 -3.708 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.403 -0.729 -4.821 1.00 0.00 H new ATOM 0 H21 DG B 11 0.189 1.173 -6.120 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.533 1.049 -5.744 1.00 0.00 H new ATOM 347 P DA B 12 7.283 -2.051 -3.668 1.00 0.00 P ATOM 348 OP1 DA B 12 8.677 -2.361 -4.078 1.00 0.00 O ATOM 349 OP2 DA B 12 6.706 -2.719 -2.474 1.00 0.00 O ATOM 350 O5' DA B 12 7.172 -0.474 -3.458 1.00 0.00 O ATOM 351 C5' DA B 12 7.056 0.411 -4.575 1.00 0.00 C ATOM 352 C4' DA B 12 6.301 1.660 -4.182 1.00 0.00 C ATOM 353 O4' DA B 12 4.912 1.315 -3.962 1.00 0.00 O ATOM 354 C3' DA B 12 6.785 2.331 -2.895 1.00 0.00 C ATOM 355 O3' DA B 12 6.766 3.756 -3.035 1.00 0.00 O ATOM 356 C2' DA B 12 5.779 1.884 -1.852 1.00 0.00 C ATOM 357 C1' DA B 12 4.508 1.681 -2.654 1.00 0.00 C ATOM 358 N9 DA B 12 3.645 0.621 -2.137 1.00 0.00 N ATOM 359 C8 DA B 12 4.054 -0.526 -1.512 1.00 0.00 C ATOM 360 N7 DA B 12 3.070 -1.313 -1.153 1.00 0.00 N ATOM 361 C5 DA B 12 1.932 -0.632 -1.565 1.00 0.00 C ATOM 362 C6 DA B 12 0.563 -0.935 -1.473 1.00 0.00 C ATOM 363 N6 DA B 12 0.085 -2.045 -0.907 1.00 0.00 N ATOM 364 N1 DA B 12 -0.312 -0.043 -1.985 1.00 0.00 N ATOM 365 C2 DA B 12 0.166 1.076 -2.546 1.00 0.00 C ATOM 366 N3 DA B 12 1.429 1.472 -2.691 1.00 0.00 N ATOM 367 C4 DA B 12 2.273 0.562 -2.174 1.00 0.00 C ATOM 0 H5' DA B 12 6.540 -0.091 -5.393 1.00 0.00 H new ATOM 0 H5'' DA B 12 8.048 0.678 -4.940 1.00 0.00 H new ATOM 0 H4' DA B 12 6.461 2.360 -5.002 1.00 0.00 H new ATOM 0 H3' DA B 12 7.809 2.061 -2.636 1.00 0.00 H new ATOM 0 H2' DA B 12 6.094 0.965 -1.358 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.647 2.635 -1.073 1.00 0.00 H new ATOM 0 H1' DA B 12 3.930 2.604 -2.610 1.00 0.00 H new ATOM 0 H8 DA B 12 5.093 -0.761 -1.331 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.921 -2.207 -0.872 1.00 0.00 H new ATOM 0 H62 DA B 12 0.726 -2.732 -0.510 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.579 1.753 -2.936 1.00 0.00 H new HETATM 379 P EDI B 13 7.571 4.673 -1.988 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.614 5.400 -2.754 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.965 3.842 -0.821 1.00 0.00 O HETATM 382 O5' EDI B 13 6.491 5.737 -1.496 1.00 0.00 O HETATM 383 C5' EDI B 13 5.953 6.708 -2.395 1.00 0.00 C HETATM 384 C4' EDI B 13 4.725 7.353 -1.797 1.00 0.00 C HETATM 385 O4' EDI B 13 3.751 6.326 -1.496 1.00 0.00 O HETATM 386 C3' EDI B 13 4.955 8.103 -0.486 1.00 0.00 C HETATM 387 O3' EDI B 13 4.090 9.244 -0.409 1.00 0.00 O HETATM 388 C2' EDI B 13 4.607 7.080 0.574 1.00 0.00 C HETATM 389 C1' EDI B 13 3.566 6.204 -0.092 1.00 0.00 C HETATM 390 N9 EDI B 13 3.696 4.796 0.258 1.00 0.00 N HETATM 391 C8 EDI B 13 4.865 4.107 0.441 1.00 0.00 C HETATM 392 N7 EDI B 13 4.682 2.854 0.754 1.00 0.00 N HETATM 393 C5 EDI B 13 3.301 2.709 0.777 1.00 0.00 C HETATM 394 C6 EDI B 13 2.501 1.573 1.053 1.00 0.00 C HETATM 395 O6 EDI B 13 2.868 0.427 1.344 1.00 0.00 O HETATM 396 N1 EDI B 13 1.141 1.870 0.964 1.00 0.00 N HETATM 397 C2 EDI B 13 0.627 3.104 0.653 1.00 0.00 C HETATM 398 N3 EDI B 13 1.362 4.169 0.395 1.00 0.00 N HETATM 399 C4 EDI B 13 2.680 3.902 0.473 1.00 0.00 C HETATM 400 C11 EDI B 13 0.118 -0.064 2.470 1.00 0.00 C HETATM 401 C12 EDI B 13 0.189 0.790 1.216 1.00 0.00 C ATOM 415 P DC B 14 4.019 10.109 0.946 1.00 0.00 P ATOM 416 OP1 DC B 14 3.657 11.495 0.555 1.00 0.00 O ATOM 417 OP2 DC B 14 5.257 9.871 1.734 1.00 0.00 O ATOM 418 O5' DC B 14 2.792 9.479 1.746 1.00 0.00 O ATOM 419 C5' DC B 14 1.518 10.129 1.774 1.00 0.00 C ATOM 420 C4' DC B 14 0.458 9.192 2.309 1.00 0.00 C ATOM 421 O4' DC B 14 0.934 7.831 2.195 1.00 0.00 O ATOM 422 C3' DC B 14 0.092 9.406 3.781 1.00 0.00 C ATOM 423 O3' DC B 14 -1.328 9.546 3.917 1.00 0.00 O ATOM 424 C2' DC B 14 0.575 8.148 4.486 1.00 0.00 C ATOM 425 C1' DC B 14 0.665 7.117 3.384 1.00 0.00 C ATOM 426 N1 DC B 14 1.739 6.131 3.567 1.00 0.00 N ATOM 427 C2 DC B 14 1.408 4.781 3.691 1.00 0.00 C ATOM 428 O2 DC B 14 0.214 4.450 3.664 1.00 0.00 O ATOM 429 N3 DC B 14 2.395 3.869 3.839 1.00 0.00 N ATOM 430 C4 DC B 14 3.669 4.264 3.868 1.00 0.00 C ATOM 431 N4 DC B 14 4.608 3.326 3.999 1.00 0.00 N ATOM 432 C5 DC B 14 4.035 5.638 3.760 1.00 0.00 C ATOM 433 C6 DC B 14 3.045 6.529 3.611 1.00 0.00 C ATOM 0 H5' DC B 14 1.248 10.458 0.770 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.572 11.021 2.398 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.432 9.397 1.714 1.00 0.00 H new ATOM 0 H3' DC B 14 0.542 10.307 4.198 1.00 0.00 H new ATOM 0 H2' DC B 14 1.542 8.306 4.964 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.120 7.837 5.266 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.270 6.557 3.371 1.00 0.00 H new ATOM 0 H41 DC B 14 5.593 3.590 4.025 1.00 0.00 H new ATOM 0 H42 DC B 14 4.341 2.344 4.073 1.00 0.00 H new ATOM 0 H5 DC B 14 5.069 5.948 3.797 1.00 0.00 H new ATOM 0 H6 DC B 14 3.284 7.579 3.524 1.00 0.00 H new ATOM 445 P DT B 15 -1.954 10.078 5.301 1.00 0.00 P ATOM 446 OP1 DT B 15 -3.382 10.396 5.042 1.00 0.00 O ATOM 447 OP2 DT B 15 -1.058 11.127 5.851 1.00 0.00 O ATOM 448 O5' DT B 15 -1.892 8.811 6.267 1.00 0.00 O ATOM 449 C5' DT B 15 -2.785 7.709 6.089 1.00 0.00 C ATOM 450 C4' DT B 15 -2.617 6.710 7.211 1.00 0.00 C ATOM 451 O4' DT B 15 -1.394 5.970 6.994 1.00 0.00 O ATOM 452 C3' DT B 15 -2.513 7.316 8.617 1.00 0.00 C ATOM 453 O3' DT B 15 -3.534 6.758 9.455 1.00 0.00 O ATOM 454 C2' DT B 15 -1.124 6.923 9.099 1.00 0.00 C ATOM 455 C1' DT B 15 -0.776 5.728 8.238 1.00 0.00 C ATOM 456 N1 DT B 15 0.664 5.525 7.996 1.00 0.00 N ATOM 457 C2 DT B 15 1.159 4.244 8.073 1.00 0.00 C ATOM 458 O2 DT B 15 0.472 3.279 8.362 1.00 0.00 O ATOM 459 N3 DT B 15 2.495 4.132 7.804 1.00 0.00 N ATOM 460 C4 DT B 15 3.370 5.146 7.482 1.00 0.00 C ATOM 461 O4 DT B 15 4.537 4.880 7.209 1.00 0.00 O ATOM 462 C5 DT B 15 2.790 6.470 7.442 1.00 0.00 C ATOM 463 C7 DT B 15 3.684 7.643 7.184 1.00 0.00 C ATOM 464 C6 DT B 15 1.479 6.595 7.693 1.00 0.00 C ATOM 0 H5' DT B 15 -2.591 7.226 5.131 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.814 8.067 6.063 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.519 6.099 7.184 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.651 8.397 8.633 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.409 7.735 8.967 1.00 0.00 H new ATOM 0 H2'' DT B 15 -1.124 6.668 10.159 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.112 4.831 8.758 1.00 0.00 H new ATOM 0 H3 DT B 15 2.888 3.192 7.847 1.00 0.00 H new ATOM 0 H71 DT B 15 3.121 8.424 6.673 1.00 0.00 H new ATOM 0 H72 DT B 15 4.061 8.028 8.131 1.00 0.00 H new ATOM 0 H73 DT B 15 4.522 7.332 6.560 1.00 0.00 H new ATOM 0 H6 DT B 15 1.040 7.581 7.656 1.00 0.00 H new ATOM 477 P DG B 16 -3.483 6.991 11.046 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.878 6.910 11.549 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.674 8.205 11.324 1.00 0.00 O ATOM 480 O5' DG B 16 -2.686 5.722 11.588 1.00 0.00 O ATOM 481 C5' DG B 16 -3.278 4.421 11.577 1.00 0.00 C ATOM 482 C4' DG B 16 -2.625 3.540 12.616 1.00 0.00 C ATOM 483 O4' DG B 16 -1.365 3.054 12.092 1.00 0.00 O ATOM 484 C3' DG B 16 -2.297 4.240 13.937 1.00 0.00 C ATOM 485 O3' DG B 16 -2.569 3.382 15.047 1.00 0.00 O ATOM 486 C2' DG B 16 -0.814 4.532 13.830 1.00 0.00 C ATOM 487 C1' DG B 16 -0.305 3.394 12.968 1.00 0.00 C ATOM 488 N9 DG B 16 0.852 3.743 12.154 1.00 0.00 N ATOM 489 C8 DG B 16 1.120 4.969 11.604 1.00 0.00 C ATOM 490 N7 DG B 16 2.230 4.995 10.919 1.00 0.00 N ATOM 491 C5 DG B 16 2.728 3.703 11.028 1.00 0.00 C ATOM 492 C6 DG B 16 3.908 3.123 10.495 1.00 0.00 C ATOM 493 O6 DG B 16 4.781 3.653 9.799 1.00 0.00 O ATOM 494 N1 DG B 16 4.025 1.784 10.849 1.00 0.00 N ATOM 495 C2 DG B 16 3.124 1.090 11.618 1.00 0.00 C ATOM 496 N2 DG B 16 3.413 -0.194 11.853 1.00 0.00 N ATOM 497 N3 DG B 16 2.021 1.617 12.121 1.00 0.00 N ATOM 498 C4 DG B 16 1.887 2.918 11.788 1.00 0.00 C ATOM 0 H5' DG B 16 -3.169 3.973 10.589 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.347 4.499 11.776 1.00 0.00 H new ATOM 0 H4' DG B 16 -3.351 2.754 12.824 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.893 5.138 14.100 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.626 5.502 13.370 1.00 0.00 H new ATOM 0 H2'' DG B 16 -0.333 4.544 14.808 1.00 0.00 H new ATOM 0 HO3' DG B 16 -2.351 3.848 15.881 1.00 0.00 H new ATOM 0 H1' DG B 16 0.008 2.583 13.625 1.00 0.00 H new ATOM 0 H8 DG B 16 0.477 5.828 11.725 1.00 0.00 H new ATOM 0 H1 DG B 16 4.844 1.278 10.511 1.00 0.00 H new ATOM 0 H21 DG B 16 2.783 -0.763 12.418 1.00 0.00 H new ATOM 0 H22 DG B 16 4.264 -0.604 11.467 1.00 0.00 H new TER 511 DG B 16