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= -0.0103 (180deg=-0.00657) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc= -0.0115 (180deg=-0.00121) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.309 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=-0.00061 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.0141) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 10.851 -3.427 8.392 1.00 0.00 O ATOM 2 C5' DC A 1 11.033 -4.096 9.644 1.00 0.00 C ATOM 3 C4' DC A 1 9.704 -4.415 10.288 1.00 0.00 C ATOM 4 O4' DC A 1 9.035 -3.173 10.618 1.00 0.00 O ATOM 5 C3' DC A 1 8.729 -5.194 9.405 1.00 0.00 C ATOM 6 O3' DC A 1 7.941 -6.094 10.196 1.00 0.00 O ATOM 7 C2' DC A 1 7.855 -4.108 8.809 1.00 0.00 C ATOM 8 C1' DC A 1 7.807 -3.070 9.915 1.00 0.00 C ATOM 9 N1 DC A 1 7.670 -1.682 9.444 1.00 0.00 N ATOM 10 C2 DC A 1 6.535 -0.953 9.814 1.00 0.00 C ATOM 11 O2 DC A 1 5.679 -1.496 10.526 1.00 0.00 O ATOM 12 N3 DC A 1 6.401 0.323 9.387 1.00 0.00 N ATOM 13 C4 DC A 1 7.345 0.874 8.622 1.00 0.00 C ATOM 14 N4 DC A 1 7.171 2.135 8.226 1.00 0.00 N ATOM 15 C5 DC A 1 8.512 0.154 8.228 1.00 0.00 C ATOM 16 C6 DC A 1 8.631 -1.109 8.658 1.00 0.00 C ATOM 0 H5' DC A 1 11.623 -3.469 10.312 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.596 -5.016 9.490 1.00 0.00 H new ATOM 0 H4' DC A 1 9.948 -5.036 11.150 1.00 0.00 H new ATOM 0 H3' DC A 1 9.228 -5.805 8.653 1.00 0.00 H new ATOM 0 H2' DC A 1 8.283 -3.702 7.892 1.00 0.00 H new ATOM 0 H2'' DC A 1 6.861 -4.480 8.560 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.726 -3.230 7.996 1.00 0.00 H new ATOM 0 H1' DC A 1 6.925 -3.274 10.522 1.00 0.00 H new ATOM 0 H41 DC A 1 7.873 2.587 7.640 1.00 0.00 H new ATOM 0 H42 DC A 1 6.336 2.648 8.509 1.00 0.00 H new ATOM 0 H5 DC A 1 9.270 0.609 7.607 1.00 0.00 H new ATOM 0 H6 DC A 1 9.501 -1.685 8.379 1.00 0.00 H new ATOM 29 P DA A 2 6.869 -7.058 9.480 1.00 0.00 P ATOM 30 OP1 DA A 2 6.524 -8.127 10.452 1.00 0.00 O ATOM 31 OP2 DA A 2 7.391 -7.427 8.139 1.00 0.00 O ATOM 32 O5' DA A 2 5.585 -6.134 9.281 1.00 0.00 O ATOM 33 C5' DA A 2 4.730 -5.818 10.382 1.00 0.00 C ATOM 34 C4' DA A 2 3.414 -5.261 9.887 1.00 0.00 C ATOM 35 O4' DA A 2 3.601 -3.869 9.542 1.00 0.00 O ATOM 36 C3' DA A 2 2.831 -5.942 8.641 1.00 0.00 C ATOM 37 O3' DA A 2 1.520 -6.445 8.960 1.00 0.00 O ATOM 38 C2' DA A 2 2.806 -4.842 7.589 1.00 0.00 C ATOM 39 C1' DA A 2 2.828 -3.571 8.401 1.00 0.00 C ATOM 40 N9 DA A 2 3.445 -2.434 7.724 1.00 0.00 N ATOM 41 C8 DA A 2 4.485 -2.473 6.836 1.00 0.00 C ATOM 42 N7 DA A 2 4.861 -1.292 6.408 1.00 0.00 N ATOM 43 C5 DA A 2 3.994 -0.418 7.047 1.00 0.00 C ATOM 44 C6 DA A 2 3.866 0.981 7.013 1.00 0.00 C ATOM 45 N6 DA A 2 4.654 1.780 6.294 1.00 0.00 N ATOM 46 N1 DA A 2 2.888 1.539 7.761 1.00 0.00 N ATOM 47 C2 DA A 2 2.102 0.736 8.493 1.00 0.00 C ATOM 48 N3 DA A 2 2.133 -0.587 8.614 1.00 0.00 N ATOM 49 C4 DA A 2 3.111 -1.109 7.855 1.00 0.00 C ATOM 0 H5' DA A 2 5.218 -5.092 11.032 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.552 -6.712 10.980 1.00 0.00 H new ATOM 0 H4' DA A 2 2.713 -5.431 10.704 1.00 0.00 H new ATOM 0 H3' DA A 2 3.404 -6.797 8.283 1.00 0.00 H new ATOM 0 H2' DA A 2 3.666 -4.906 6.922 1.00 0.00 H new ATOM 0 H2'' DA A 2 1.914 -4.904 6.966 1.00 0.00 H new ATOM 0 H1' DA A 2 1.800 -3.275 8.608 1.00 0.00 H new ATOM 0 H8 DA A 2 4.953 -3.392 6.517 1.00 0.00 H new ATOM 0 H61 DA A 2 4.509 2.790 6.312 1.00 0.00 H new ATOM 0 H62 DA A 2 5.402 1.382 5.726 1.00 0.00 H new ATOM 0 H2 DA A 2 1.335 1.236 9.066 1.00 0.00 H new ATOM 61 P DG A 3 0.378 -6.534 7.827 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.620 -7.523 8.309 1.00 0.00 O ATOM 63 OP2 DG A 3 1.009 -6.726 6.494 1.00 0.00 O ATOM 64 O5' DG A 3 -0.310 -5.095 7.870 1.00 0.00 O ATOM 65 C5' DG A 3 -0.739 -4.527 9.113 1.00 0.00 C ATOM 66 C4' DG A 3 -1.833 -3.511 8.879 1.00 0.00 C ATOM 67 O4' DG A 3 -1.235 -2.267 8.436 1.00 0.00 O ATOM 68 C3' DG A 3 -2.859 -3.897 7.813 1.00 0.00 C ATOM 69 O3' DG A 3 -4.174 -3.492 8.211 1.00 0.00 O ATOM 70 C2' DG A 3 -2.404 -3.132 6.585 1.00 0.00 C ATOM 71 C1' DG A 3 -1.699 -1.913 7.143 1.00 0.00 C ATOM 72 N9 DG A 3 -0.548 -1.495 6.351 1.00 0.00 N ATOM 73 C8 DG A 3 0.420 -2.315 5.833 1.00 0.00 C ATOM 74 N7 DG A 3 1.352 -1.671 5.185 1.00 0.00 N ATOM 75 C5 DG A 3 0.964 -0.340 5.267 1.00 0.00 C ATOM 76 C6 DG A 3 1.576 0.827 4.745 1.00 0.00 C ATOM 77 O6 DG A 3 2.624 0.926 4.097 1.00 0.00 O ATOM 78 N1 DG A 3 0.842 1.967 5.050 1.00 0.00 N ATOM 79 C2 DG A 3 -0.328 1.985 5.766 1.00 0.00 C ATOM 80 N2 DG A 3 -0.891 3.187 5.940 1.00 0.00 N ATOM 81 N3 DG A 3 -0.904 0.907 6.268 1.00 0.00 N ATOM 82 C4 DG A 3 -0.211 -0.216 5.980 1.00 0.00 C ATOM 0 H5' DG A 3 0.105 -4.053 9.614 1.00 0.00 H new ATOM 0 H5'' DG A 3 -1.101 -5.314 9.774 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.356 -3.436 9.832 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.914 -4.972 7.642 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.734 -3.731 5.969 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.249 -2.850 5.956 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.404 -1.082 7.143 1.00 0.00 H new ATOM 0 H8 DG A 3 0.412 -3.389 5.950 1.00 0.00 H new ATOM 0 H1 DG A 3 1.202 2.861 4.715 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.763 3.271 6.463 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.448 4.019 5.549 1.00 0.00 H new ATOM 94 P DT A 4 -5.459 -4.088 7.447 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.522 -4.301 8.462 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.024 -5.222 6.591 1.00 0.00 O ATOM 97 O5' DT A 4 -5.916 -2.899 6.491 1.00 0.00 O ATOM 98 C5' DT A 4 -6.423 -1.677 7.030 1.00 0.00 C ATOM 99 C4' DT A 4 -6.089 -0.522 6.115 1.00 0.00 C ATOM 100 O4' DT A 4 -4.716 -0.660 5.679 1.00 0.00 O ATOM 101 C3' DT A 4 -6.939 -0.428 4.841 1.00 0.00 C ATOM 102 O3' DT A 4 -7.629 0.827 4.806 1.00 0.00 O ATOM 103 C2' DT A 4 -5.938 -0.518 3.701 1.00 0.00 C ATOM 104 C1' DT A 4 -4.612 -0.192 4.354 1.00 0.00 C ATOM 105 N1 DT A 4 -3.447 -0.841 3.726 1.00 0.00 N ATOM 106 C2 DT A 4 -2.391 -0.044 3.357 1.00 0.00 C ATOM 107 O2 DT A 4 -2.379 1.162 3.553 1.00 0.00 O ATOM 108 N3 DT A 4 -1.343 -0.698 2.748 1.00 0.00 N ATOM 109 C4 DT A 4 -1.280 -2.060 2.490 1.00 0.00 C ATOM 110 O4 DT A 4 -0.290 -2.531 1.936 1.00 0.00 O ATOM 111 C5 DT A 4 -2.424 -2.836 2.910 1.00 0.00 C ATOM 112 C7 DT A 4 -2.467 -4.295 2.578 1.00 0.00 C ATOM 113 C6 DT A 4 -3.436 -2.202 3.512 1.00 0.00 C ATOM 0 H5' DT A 4 -5.996 -1.503 8.018 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.503 -1.748 7.157 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.284 0.374 6.705 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.696 -1.210 4.783 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.930 -1.512 3.254 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.175 0.187 2.904 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.439 0.880 4.264 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.923 -4.473 1.650 1.00 0.00 H new ATOM 0 H72 DT A 4 -2.006 -4.865 3.384 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.503 -4.610 2.457 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.283 -2.783 3.846 1.00 0.00 H new ATOM 125 P DT A 5 -8.851 1.038 3.782 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.761 2.050 4.378 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.386 -0.294 3.400 1.00 0.00 O ATOM 128 O5' DT A 5 -8.165 1.683 2.498 1.00 0.00 O ATOM 129 C5' DT A 5 -7.415 2.893 2.597 1.00 0.00 C ATOM 130 C4' DT A 5 -6.798 3.234 1.260 1.00 0.00 C ATOM 131 O4' DT A 5 -5.634 2.400 1.065 1.00 0.00 O ATOM 132 C3' DT A 5 -7.707 2.996 0.049 1.00 0.00 C ATOM 133 O3' DT A 5 -7.875 4.211 -0.686 1.00 0.00 O ATOM 134 C2' DT A 5 -6.967 1.971 -0.794 1.00 0.00 C ATOM 135 C1' DT A 5 -5.543 2.052 -0.299 1.00 0.00 C ATOM 136 N1 DT A 5 -4.782 0.794 -0.399 1.00 0.00 N ATOM 137 C2 DT A 5 -3.528 0.847 -0.962 1.00 0.00 C ATOM 138 O2 DT A 5 -3.029 1.877 -1.380 1.00 0.00 O ATOM 139 N3 DT A 5 -2.876 -0.354 -1.019 1.00 0.00 N ATOM 140 C4 DT A 5 -3.342 -1.577 -0.588 1.00 0.00 C ATOM 141 O4 DT A 5 -2.623 -2.568 -0.679 1.00 0.00 O ATOM 142 C5 DT A 5 -4.673 -1.566 -0.021 1.00 0.00 C ATOM 143 C7 DT A 5 -5.301 -2.865 0.374 1.00 0.00 C ATOM 144 C6 DT A 5 -5.320 -0.394 0.057 1.00 0.00 C ATOM 0 H5' DT A 5 -6.634 2.785 3.350 1.00 0.00 H new ATOM 0 H5'' DT A 5 -8.063 3.706 2.925 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.580 4.301 1.305 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.701 2.655 0.337 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.380 0.971 -0.660 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.034 2.204 -1.857 1.00 0.00 H new ATOM 0 H1' DT A 5 -5.009 2.771 -0.920 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.941 -0.343 -1.426 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.982 -2.701 1.209 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.855 -3.273 -0.471 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.524 -3.569 0.672 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.307 -0.378 0.496 1.00 0.00 H new ATOM 157 P DC A 6 -8.938 4.274 -1.893 1.00 0.00 P ATOM 158 OP1 DC A 6 -9.913 5.344 -1.567 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.424 2.899 -2.174 1.00 0.00 O ATOM 160 O5' DC A 6 -8.076 4.757 -3.143 1.00 0.00 O ATOM 161 C5' DC A 6 -6.875 5.510 -2.964 1.00 0.00 C ATOM 162 C4' DC A 6 -5.821 5.048 -3.944 1.00 0.00 C ATOM 163 O4' DC A 6 -5.391 3.721 -3.563 1.00 0.00 O ATOM 164 C3' DC A 6 -6.293 4.948 -5.399 1.00 0.00 C ATOM 165 O3' DC A 6 -5.495 5.795 -6.236 1.00 0.00 O ATOM 166 C2' DC A 6 -6.087 3.488 -5.774 1.00 0.00 C ATOM 167 C1' DC A 6 -5.123 2.973 -4.727 1.00 0.00 C ATOM 168 N1 DC A 6 -5.275 1.548 -4.393 1.00 0.00 N ATOM 169 C2 DC A 6 -4.140 0.735 -4.383 1.00 0.00 C ATOM 170 O2 DC A 6 -3.044 1.233 -4.672 1.00 0.00 O ATOM 171 N3 DC A 6 -4.264 -0.571 -4.061 1.00 0.00 N ATOM 172 C4 DC A 6 -5.463 -1.073 -3.760 1.00 0.00 C ATOM 173 N4 DC A 6 -5.533 -2.365 -3.439 1.00 0.00 N ATOM 174 C5 DC A 6 -6.641 -0.269 -3.770 1.00 0.00 C ATOM 175 C6 DC A 6 -6.502 1.023 -4.093 1.00 0.00 C ATOM 0 H5' DC A 6 -6.511 5.391 -1.944 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.077 6.571 -3.109 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.034 5.801 -3.902 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.329 5.263 -5.522 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.026 2.935 -5.758 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.676 3.388 -6.779 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.112 3.079 -5.120 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.433 -2.784 -3.203 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.687 -2.935 -3.429 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.607 -0.686 -3.527 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.373 1.661 -4.117 1.00 0.00 H new ATOM 187 P DC A 7 -5.723 5.793 -7.827 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.149 7.055 -8.360 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.146 5.463 -8.099 1.00 0.00 O ATOM 190 O5' DC A 7 -4.828 4.580 -8.344 1.00 0.00 O ATOM 191 C5' DC A 7 -3.404 4.682 -8.385 1.00 0.00 C ATOM 192 C4' DC A 7 -2.817 3.532 -9.170 1.00 0.00 C ATOM 193 O4' DC A 7 -3.044 2.307 -8.440 1.00 0.00 O ATOM 194 C3' DC A 7 -3.420 3.317 -10.564 1.00 0.00 C ATOM 195 O3' DC A 7 -2.394 3.422 -11.556 1.00 0.00 O ATOM 196 C2' DC A 7 -3.981 1.902 -10.530 1.00 0.00 C ATOM 197 C1' DC A 7 -3.264 1.265 -9.360 1.00 0.00 C ATOM 198 N1 DC A 7 -4.006 0.201 -8.665 1.00 0.00 N ATOM 199 C2 DC A 7 -3.328 -0.967 -8.318 1.00 0.00 C ATOM 200 O2 DC A 7 -2.134 -1.078 -8.623 1.00 0.00 O ATOM 201 N3 DC A 7 -3.986 -1.946 -7.660 1.00 0.00 N ATOM 202 C4 DC A 7 -5.273 -1.790 -7.350 1.00 0.00 C ATOM 203 N4 DC A 7 -5.878 -2.780 -6.691 1.00 0.00 N ATOM 204 C5 DC A 7 -5.996 -0.611 -7.699 1.00 0.00 C ATOM 205 C6 DC A 7 -5.329 0.349 -8.352 1.00 0.00 C ATOM 0 H5' DC A 7 -3.003 4.681 -7.371 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.114 5.628 -8.841 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.765 3.787 -9.300 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.184 4.055 -10.809 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.062 1.902 -10.387 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.783 1.369 -11.460 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.365 0.785 -9.746 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.862 -2.697 -6.437 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.356 -3.620 -6.442 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.040 -0.497 -7.447 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.844 1.255 -8.636 1.00 0.00 H new ATOM 217 P DA A 8 -2.786 3.707 -13.089 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.710 5.175 -13.295 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.049 2.989 -13.399 1.00 0.00 O ATOM 220 O5' DA A 8 -1.606 3.030 -13.919 1.00 0.00 O ATOM 221 C5' DA A 8 -0.244 3.407 -13.700 1.00 0.00 C ATOM 222 C4' DA A 8 0.676 2.240 -13.979 1.00 0.00 C ATOM 223 O4' DA A 8 0.196 1.077 -13.267 1.00 0.00 O ATOM 224 C3' DA A 8 0.779 1.831 -15.449 1.00 0.00 C ATOM 225 O3' DA A 8 2.118 1.458 -15.775 1.00 0.00 O ATOM 226 C2' DA A 8 -0.150 0.636 -15.566 1.00 0.00 C ATOM 227 C1' DA A 8 -0.193 0.050 -14.166 1.00 0.00 C ATOM 228 N9 DA A 8 -1.523 -0.403 -13.769 1.00 0.00 N ATOM 229 C8 DA A 8 -2.696 0.291 -13.910 1.00 0.00 C ATOM 230 N7 DA A 8 -3.749 -0.351 -13.464 1.00 0.00 N ATOM 231 C5 DA A 8 -3.232 -1.553 -12.999 1.00 0.00 C ATOM 232 C6 DA A 8 -3.834 -2.675 -12.406 1.00 0.00 C ATOM 233 N6 DA A 8 -5.142 -2.772 -12.166 1.00 0.00 N ATOM 234 N1 DA A 8 -3.034 -3.708 -12.060 1.00 0.00 N ATOM 235 C2 DA A 8 -1.720 -3.608 -12.299 1.00 0.00 C ATOM 236 N3 DA A 8 -1.037 -2.607 -12.851 1.00 0.00 N ATOM 237 C4 DA A 8 -1.861 -1.598 -13.182 1.00 0.00 C ATOM 0 H5' DA A 8 -0.114 3.743 -12.671 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.016 4.246 -14.345 1.00 0.00 H new ATOM 0 H4' DA A 8 1.661 2.579 -13.658 1.00 0.00 H new ATOM 0 H3' DA A 8 0.511 2.640 -16.128 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.143 0.936 -15.901 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.225 -0.089 -16.289 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.165 1.198 -16.719 1.00 0.00 H new ATOM 0 H1' DA A 8 0.467 -0.817 -14.148 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.749 1.277 -14.348 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.520 -3.614 -11.732 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.765 -2.004 -12.416 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.130 -4.462 -12.001 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.142 -11.631 -9.786 1.00 0.00 O ATOM 252 C5' DT B 9 -4.039 -12.502 -10.051 1.00 0.00 C ATOM 253 C4' DT B 9 -2.763 -11.716 -10.243 1.00 0.00 C ATOM 254 O4' DT B 9 -3.070 -10.509 -10.983 1.00 0.00 O ATOM 255 C3' DT B 9 -2.084 -11.265 -8.946 1.00 0.00 C ATOM 256 O3' DT B 9 -0.665 -11.454 -9.033 1.00 0.00 O ATOM 257 C2' DT B 9 -2.422 -9.788 -8.853 1.00 0.00 C ATOM 258 C1' DT B 9 -2.562 -9.377 -10.303 1.00 0.00 C ATOM 259 N1 DT B 9 -3.491 -8.253 -10.530 1.00 0.00 N ATOM 260 C2 DT B 9 -3.009 -7.122 -11.148 1.00 0.00 C ATOM 261 O2 DT B 9 -1.854 -7.008 -11.524 1.00 0.00 O ATOM 262 N3 DT B 9 -3.931 -6.123 -11.313 1.00 0.00 N ATOM 263 C4 DT B 9 -5.255 -6.141 -10.934 1.00 0.00 C ATOM 264 O4 DT B 9 -5.965 -5.164 -11.151 1.00 0.00 O ATOM 265 C5 DT B 9 -5.698 -7.361 -10.295 1.00 0.00 C ATOM 266 C7 DT B 9 -7.122 -7.469 -9.846 1.00 0.00 C ATOM 267 C6 DT B 9 -4.806 -8.347 -10.124 1.00 0.00 C ATOM 0 H5' DT B 9 -4.244 -13.093 -10.943 1.00 0.00 H new ATOM 0 H5'' DT B 9 -3.918 -13.203 -9.225 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.081 -12.392 -10.758 1.00 0.00 H new ATOM 0 H3' DT B 9 -2.417 -11.828 -8.074 1.00 0.00 H new ATOM 0 H2' DT B 9 -3.343 -9.619 -8.295 1.00 0.00 H new ATOM 0 H2'' DT B 9 -1.636 -9.225 -8.348 1.00 0.00 H new ATOM 0 HO5' DT B 9 -5.957 -12.162 -9.667 1.00 0.00 H new ATOM 0 H1' DT B 9 -1.587 -9.040 -10.655 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.601 -5.271 -11.767 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.441 -8.510 -9.894 1.00 0.00 H new ATOM 0 H72 DT B 9 -7.208 -7.110 -8.821 1.00 0.00 H new ATOM 0 H73 DT B 9 -7.755 -6.866 -10.496 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.133 -9.259 -9.646 1.00 0.00 H new ATOM 281 P DG B 10 0.151 -12.007 -7.760 1.00 0.00 P ATOM 282 OP1 DG B 10 0.928 -13.186 -8.221 1.00 0.00 O ATOM 283 OP2 DG B 10 -0.782 -12.148 -6.613 1.00 0.00 O ATOM 284 O5' DG B 10 1.179 -10.838 -7.417 1.00 0.00 O ATOM 285 C5' DG B 10 2.398 -10.689 -8.145 1.00 0.00 C ATOM 286 C4' DG B 10 2.886 -9.260 -8.069 1.00 0.00 C ATOM 287 O4' DG B 10 1.745 -8.376 -8.161 1.00 0.00 O ATOM 288 C3' DG B 10 3.621 -8.891 -6.774 1.00 0.00 C ATOM 289 O3' DG B 10 4.900 -8.321 -7.087 1.00 0.00 O ATOM 290 C2' DG B 10 2.723 -7.868 -6.101 1.00 0.00 C ATOM 291 C1' DG B 10 1.872 -7.327 -7.224 1.00 0.00 C ATOM 292 N9 DG B 10 0.531 -6.925 -6.816 1.00 0.00 N ATOM 293 C8 DG B 10 -0.337 -7.631 -6.023 1.00 0.00 C ATOM 294 N7 DG B 10 -1.477 -7.022 -5.838 1.00 0.00 N ATOM 295 C5 DG B 10 -1.348 -5.836 -6.550 1.00 0.00 C ATOM 296 C6 DG B 10 -2.258 -4.759 -6.725 1.00 0.00 C ATOM 297 O6 DG B 10 -3.404 -4.634 -6.274 1.00 0.00 O ATOM 298 N1 DG B 10 -1.715 -3.755 -7.519 1.00 0.00 N ATOM 299 C2 DG B 10 -0.461 -3.781 -8.076 1.00 0.00 C ATOM 300 N2 DG B 10 -0.114 -2.718 -8.809 1.00 0.00 N ATOM 301 N3 DG B 10 0.393 -4.776 -7.927 1.00 0.00 N ATOM 302 C4 DG B 10 -0.111 -5.762 -7.156 1.00 0.00 C ATOM 0 H5' DG B 10 2.244 -10.973 -9.186 1.00 0.00 H new ATOM 0 H5'' DG B 10 3.155 -11.361 -7.740 1.00 0.00 H new ATOM 0 H4' DG B 10 3.596 -9.155 -8.889 1.00 0.00 H new ATOM 0 H3' DG B 10 3.807 -9.752 -6.132 1.00 0.00 H new ATOM 0 H2' DG B 10 2.112 -8.325 -5.323 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.305 -7.078 -5.626 1.00 0.00 H new ATOM 0 H1' DG B 10 2.355 -6.432 -7.615 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.101 -8.594 -5.595 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.294 -2.935 -7.702 1.00 0.00 H new ATOM 0 H21 DG B 10 0.806 -2.680 -9.248 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.769 -1.945 -8.929 1.00 0.00 H new ATOM 314 P DG B 11 5.701 -7.476 -5.974 1.00 0.00 P ATOM 315 OP1 DG B 11 7.070 -7.240 -6.498 1.00 0.00 O ATOM 316 OP2 DG B 11 5.524 -8.144 -4.659 1.00 0.00 O ATOM 317 O5' DG B 11 4.939 -6.076 -5.928 1.00 0.00 O ATOM 318 C5' DG B 11 5.107 -5.108 -6.968 1.00 0.00 C ATOM 319 C4' DG B 11 4.945 -3.709 -6.419 1.00 0.00 C ATOM 320 O4' DG B 11 3.534 -3.405 -6.284 1.00 0.00 O ATOM 321 C3' DG B 11 5.564 -3.481 -5.035 1.00 0.00 C ATOM 322 O3' DG B 11 6.286 -2.243 -5.022 1.00 0.00 O ATOM 323 C2' DG B 11 4.362 -3.424 -4.109 1.00 0.00 C ATOM 324 C1' DG B 11 3.293 -2.849 -5.007 1.00 0.00 C ATOM 325 N9 DG B 11 1.933 -3.194 -4.608 1.00 0.00 N ATOM 326 C8 DG B 11 1.529 -4.367 -4.028 1.00 0.00 C ATOM 327 N7 DG B 11 0.250 -4.404 -3.773 1.00 0.00 N ATOM 328 C5 DG B 11 -0.220 -3.173 -4.212 1.00 0.00 C ATOM 329 C6 DG B 11 -1.531 -2.629 -4.195 1.00 0.00 C ATOM 330 O6 DG B 11 -2.575 -3.144 -3.778 1.00 0.00 O ATOM 331 N1 DG B 11 -1.560 -1.349 -4.736 1.00 0.00 N ATOM 332 C2 DG B 11 -0.471 -0.676 -5.230 1.00 0.00 C ATOM 333 N2 DG B 11 -0.702 0.553 -5.704 1.00 0.00 N ATOM 334 N3 DG B 11 0.755 -1.170 -5.255 1.00 0.00 N ATOM 335 C4 DG B 11 0.807 -2.413 -4.732 1.00 0.00 C ATOM 0 H5' DG B 11 4.376 -5.282 -7.757 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.094 -5.217 -7.418 1.00 0.00 H new ATOM 0 H4' DG B 11 5.466 -3.070 -7.132 1.00 0.00 H new ATOM 0 H3' DG B 11 6.275 -4.254 -4.743 1.00 0.00 H new ATOM 0 H2' DG B 11 4.091 -4.411 -3.733 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.547 -2.792 -3.240 1.00 0.00 H new ATOM 0 H1' DG B 11 3.351 -1.761 -4.969 1.00 0.00 H new ATOM 0 H8 DG B 11 2.203 -5.181 -3.804 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.461 -0.873 -4.768 1.00 0.00 H new ATOM 0 H21 DG B 11 0.066 1.105 -6.085 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.646 0.938 -5.684 1.00 0.00 H new ATOM 347 P DA B 12 7.213 -1.865 -3.761 1.00 0.00 P ATOM 348 OP1 DA B 12 8.624 -2.065 -4.178 1.00 0.00 O ATOM 349 OP2 DA B 12 6.700 -2.564 -2.555 1.00 0.00 O ATOM 350 O5' DA B 12 6.976 -0.300 -3.569 1.00 0.00 O ATOM 351 C5' DA B 12 6.864 0.571 -4.699 1.00 0.00 C ATOM 352 C4' DA B 12 6.127 1.835 -4.317 1.00 0.00 C ATOM 353 O4' DA B 12 4.738 1.510 -4.065 1.00 0.00 O ATOM 354 C3' DA B 12 6.636 2.527 -3.051 1.00 0.00 C ATOM 355 O3' DA B 12 6.570 3.950 -3.202 1.00 0.00 O ATOM 356 C2' DA B 12 5.677 2.052 -1.978 1.00 0.00 C ATOM 357 C1' DA B 12 4.379 1.859 -2.737 1.00 0.00 C ATOM 358 N9 DA B 12 3.537 0.790 -2.204 1.00 0.00 N ATOM 359 C8 DA B 12 3.974 -0.367 -1.617 1.00 0.00 C ATOM 360 N7 DA B 12 3.006 -1.162 -1.229 1.00 0.00 N ATOM 361 C5 DA B 12 1.851 -0.476 -1.582 1.00 0.00 C ATOM 362 C6 DA B 12 0.488 -0.784 -1.436 1.00 0.00 C ATOM 363 N6 DA B 12 0.038 -1.907 -0.874 1.00 0.00 N ATOM 364 N1 DA B 12 -0.411 0.115 -1.895 1.00 0.00 N ATOM 365 C2 DA B 12 0.042 1.244 -2.456 1.00 0.00 C ATOM 366 N3 DA B 12 1.298 1.645 -2.648 1.00 0.00 N ATOM 367 C4 DA B 12 2.164 0.729 -2.184 1.00 0.00 C ATOM 0 H5' DA B 12 6.336 0.064 -5.506 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.857 0.820 -5.074 1.00 0.00 H new ATOM 0 H4' DA B 12 6.282 2.515 -5.155 1.00 0.00 H new ATOM 0 H3' DA B 12 7.675 2.293 -2.820 1.00 0.00 H new ATOM 0 H2' DA B 12 6.016 1.124 -1.517 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.571 2.785 -1.179 1.00 0.00 H new ATOM 0 H1' DA B 12 3.801 2.780 -2.661 1.00 0.00 H new ATOM 0 H8 DA B 12 5.020 -0.603 -1.486 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.966 -2.072 -0.797 1.00 0.00 H new ATOM 0 H62 DA B 12 0.698 -2.600 -0.521 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.720 1.927 -2.802 1.00 0.00 H new HETATM 379 P EDI B 13 7.255 4.905 -2.104 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.282 5.713 -2.810 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.647 4.088 -0.927 1.00 0.00 O HETATM 382 O5' EDI B 13 6.079 5.886 -1.661 1.00 0.00 O HETATM 383 C5' EDI B 13 5.464 6.767 -2.603 1.00 0.00 C HETATM 384 C4' EDI B 13 4.342 7.539 -1.946 1.00 0.00 C HETATM 385 O4' EDI B 13 3.291 6.617 -1.574 1.00 0.00 O HETATM 386 C3' EDI B 13 4.719 8.271 -0.660 1.00 0.00 C HETATM 387 O3' EDI B 13 3.943 9.468 -0.524 1.00 0.00 O HETATM 388 C2' EDI B 13 4.377 7.273 0.425 1.00 0.00 C HETATM 389 C1' EDI B 13 3.226 6.475 -0.161 1.00 0.00 C HETATM 390 N9 EDI B 13 3.298 5.055 0.150 1.00 0.00 N HETATM 391 C8 EDI B 13 4.435 4.294 0.224 1.00 0.00 C HETATM 392 N7 EDI B 13 4.204 3.047 0.524 1.00 0.00 N HETATM 393 C5 EDI B 13 2.823 2.981 0.654 1.00 0.00 C HETATM 394 C6 EDI B 13 1.984 1.885 0.971 1.00 0.00 C HETATM 395 O6 EDI B 13 2.307 0.714 1.204 1.00 0.00 O HETATM 396 N1 EDI B 13 0.641 2.260 1.001 1.00 0.00 N HETATM 397 C2 EDI B 13 0.173 3.529 0.757 1.00 0.00 C HETATM 398 N3 EDI B 13 0.948 4.557 0.460 1.00 0.00 N HETATM 399 C4 EDI B 13 2.250 4.213 0.427 1.00 0.00 C HETATM 400 C11 EDI B 13 -0.200 0.111 2.337 1.00 0.00 C HETATM 401 C12 EDI B 13 -0.346 1.227 1.313 1.00 0.00 C ATOM 415 P DC B 14 4.036 10.337 0.827 1.00 0.00 P ATOM 416 OP1 DC B 14 3.676 11.734 0.470 1.00 0.00 O ATOM 417 OP2 DC B 14 5.341 10.063 1.483 1.00 0.00 O ATOM 418 O5' DC B 14 2.881 9.744 1.750 1.00 0.00 O ATOM 419 C5' DC B 14 1.680 10.483 1.998 1.00 0.00 C ATOM 420 C4' DC B 14 0.661 9.612 2.698 1.00 0.00 C ATOM 421 O4' DC B 14 1.012 8.224 2.493 1.00 0.00 O ATOM 422 C3' DC B 14 0.568 9.821 4.214 1.00 0.00 C ATOM 423 O3' DC B 14 -0.772 10.170 4.581 1.00 0.00 O ATOM 424 C2' DC B 14 0.947 8.476 4.816 1.00 0.00 C ATOM 425 C1' DC B 14 0.791 7.492 3.679 1.00 0.00 C ATOM 426 N1 DC B 14 1.753 6.382 3.706 1.00 0.00 N ATOM 427 C2 DC B 14 1.280 5.076 3.844 1.00 0.00 C ATOM 428 O2 DC B 14 0.060 4.886 3.963 1.00 0.00 O ATOM 429 N3 DC B 14 2.162 4.052 3.850 1.00 0.00 N ATOM 430 C4 DC B 14 3.468 4.296 3.730 1.00 0.00 C ATOM 431 N4 DC B 14 4.299 3.253 3.726 1.00 0.00 N ATOM 432 C5 DC B 14 3.979 5.621 3.603 1.00 0.00 C ATOM 433 C6 DC B 14 3.093 6.624 3.596 1.00 0.00 C ATOM 0 H5' DC B 14 1.270 10.849 1.057 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.903 11.357 2.610 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.301 9.890 2.266 1.00 0.00 H new ATOM 0 H3' DC B 14 1.216 10.625 4.563 1.00 0.00 H new ATOM 0 H2' DC B 14 1.969 8.485 5.195 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.299 8.220 5.654 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.200 7.044 3.755 1.00 0.00 H new ATOM 0 H41 DC B 14 5.304 3.402 3.636 1.00 0.00 H new ATOM 0 H42 DC B 14 3.930 2.306 3.813 1.00 0.00 H new ATOM 0 H5 DC B 14 5.039 5.808 3.516 1.00 0.00 H new ATOM 0 H6 DC B 14 3.443 7.641 3.502 1.00 0.00 H new ATOM 445 P DT B 15 -1.110 10.548 6.108 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.444 11.200 6.117 1.00 0.00 O ATOM 447 OP2 DT B 15 0.058 11.261 6.686 1.00 0.00 O ATOM 448 O5' DT B 15 -1.239 9.136 6.836 1.00 0.00 O ATOM 449 C5' DT B 15 -2.339 8.265 6.563 1.00 0.00 C ATOM 450 C4' DT B 15 -2.356 7.119 7.549 1.00 0.00 C ATOM 451 O4' DT B 15 -1.242 6.242 7.259 1.00 0.00 O ATOM 452 C3' DT B 15 -2.215 7.526 9.020 1.00 0.00 C ATOM 453 O3' DT B 15 -3.242 6.898 9.798 1.00 0.00 O ATOM 454 C2' DT B 15 -0.838 7.022 9.420 1.00 0.00 C ATOM 455 C1' DT B 15 -0.597 5.877 8.461 1.00 0.00 C ATOM 456 N1 DT B 15 0.818 5.609 8.152 1.00 0.00 N ATOM 457 C2 DT B 15 1.235 4.299 8.112 1.00 0.00 C ATOM 458 O2 DT B 15 0.499 3.356 8.345 1.00 0.00 O ATOM 459 N3 DT B 15 2.554 4.130 7.791 1.00 0.00 N ATOM 460 C4 DT B 15 3.480 5.114 7.521 1.00 0.00 C ATOM 461 O4 DT B 15 4.620 4.802 7.191 1.00 0.00 O ATOM 462 C5 DT B 15 2.982 6.469 7.601 1.00 0.00 C ATOM 463 C7 DT B 15 3.940 7.602 7.409 1.00 0.00 C ATOM 464 C6 DT B 15 1.688 6.651 7.904 1.00 0.00 C ATOM 0 H5' DT B 15 -2.263 7.879 5.547 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.275 8.820 6.623 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.333 6.652 7.429 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.316 8.600 9.179 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.080 7.799 9.319 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.817 6.689 10.458 1.00 0.00 H new ATOM 0 H1' DT B 15 -0.973 4.967 8.928 1.00 0.00 H new ATOM 0 H3 DT B 15 2.890 3.168 7.747 1.00 0.00 H new ATOM 0 H71 DT B 15 4.931 7.302 7.748 1.00 0.00 H new ATOM 0 H72 DT B 15 3.983 7.867 6.353 1.00 0.00 H new ATOM 0 H73 DT B 15 3.605 8.464 7.986 1.00 0.00 H new ATOM 0 H6 DT B 15 1.309 7.661 7.956 1.00 0.00 H new ATOM 477 P DG B 16 -3.204 6.990 11.402 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.592 6.790 11.891 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.461 8.217 11.788 1.00 0.00 O ATOM 480 O5' DG B 16 -2.334 5.725 11.836 1.00 0.00 O ATOM 481 C5' DG B 16 -2.915 4.421 11.908 1.00 0.00 C ATOM 482 C4' DG B 16 -2.165 3.569 12.905 1.00 0.00 C ATOM 483 O4' DG B 16 -0.954 3.080 12.281 1.00 0.00 O ATOM 484 C3' DG B 16 -1.729 4.301 14.178 1.00 0.00 C ATOM 485 O3' DG B 16 -1.960 3.489 15.332 1.00 0.00 O ATOM 486 C2' DG B 16 -0.245 4.537 13.975 1.00 0.00 C ATOM 487 C1' DG B 16 0.169 3.380 13.090 1.00 0.00 C ATOM 488 N9 DG B 16 1.289 3.679 12.207 1.00 0.00 N ATOM 489 C8 DG B 16 1.587 4.896 11.651 1.00 0.00 C ATOM 490 N7 DG B 16 2.651 4.872 10.896 1.00 0.00 N ATOM 491 C5 DG B 16 3.083 3.553 10.960 1.00 0.00 C ATOM 492 C6 DG B 16 4.193 2.918 10.348 1.00 0.00 C ATOM 493 O6 DG B 16 5.048 3.409 9.601 1.00 0.00 O ATOM 494 N1 DG B 16 4.260 1.569 10.680 1.00 0.00 N ATOM 495 C2 DG B 16 3.373 0.915 11.499 1.00 0.00 C ATOM 496 N2 DG B 16 3.604 -0.386 11.701 1.00 0.00 N ATOM 497 N3 DG B 16 2.336 1.494 12.077 1.00 0.00 N ATOM 498 C4 DG B 16 2.253 2.804 11.766 1.00 0.00 C ATOM 0 H5' DG B 16 -2.891 3.950 10.925 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.963 4.497 12.199 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.862 2.783 13.195 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.282 5.226 14.342 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.051 5.498 13.499 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.297 4.535 14.921 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.674 3.973 16.135 1.00 0.00 H new ATOM 0 H1' DG B 16 0.491 2.560 13.732 1.00 0.00 H new ATOM 0 H8 DG B 16 1.000 5.786 11.821 1.00 0.00 H new ATOM 0 H1 DG B 16 5.026 1.024 10.285 1.00 0.00 H new ATOM 0 H21 DG B 16 2.981 -0.928 12.300 1.00 0.00 H new ATOM 0 H22 DG B 16 4.404 -0.837 11.256 1.00 0.00 H new TER 511 DG B 16