USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 Set 1.1: A 12 DT C7 :methyl -30:sc= -0.15 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.01 (180deg=-3.7!) USER MOD Single : A 1 DG O5' : rot 29:sc= 1.35 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.91! (180deg=-7.82!) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.129 (180deg=-0.129) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.085 2.342 2.692 1.00 0.00 O ATOM 2 C5' DG A 1 8.020 2.863 3.628 1.00 0.00 C ATOM 3 C4' DG A 1 7.718 2.438 5.077 1.00 0.00 C ATOM 4 O4' DG A 1 6.380 2.836 5.361 1.00 0.00 O ATOM 5 C3' DG A 1 7.824 0.923 5.328 1.00 0.00 C ATOM 6 O3' DG A 1 8.365 0.669 6.632 1.00 0.00 O ATOM 7 C2' DG A 1 6.363 0.501 5.212 1.00 0.00 C ATOM 8 C1' DG A 1 5.652 1.708 5.805 1.00 0.00 C ATOM 9 N9 DG A 1 4.219 1.766 5.435 1.00 0.00 N ATOM 10 C8 DG A 1 3.161 1.472 6.247 1.00 0.00 C ATOM 11 N7 DG A 1 1.991 1.691 5.711 1.00 0.00 N ATOM 12 C5 DG A 1 2.293 2.071 4.402 1.00 0.00 C ATOM 13 C6 DG A 1 1.430 2.359 3.288 1.00 0.00 C ATOM 14 O6 DG A 1 0.199 2.414 3.270 1.00 0.00 O ATOM 15 N1 DG A 1 2.122 2.576 2.105 1.00 0.00 N ATOM 16 C2 DG A 1 3.490 2.577 2.029 1.00 0.00 C ATOM 17 N2 DG A 1 4.065 2.787 0.871 1.00 0.00 N ATOM 18 N3 DG A 1 4.320 2.370 3.054 1.00 0.00 N ATOM 19 C4 DG A 1 3.660 2.096 4.217 1.00 0.00 C ATOM 0 H5' DG A 1 8.020 3.951 3.566 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.022 2.528 3.358 1.00 0.00 H new ATOM 0 H4' DG A 1 8.463 2.912 5.716 1.00 0.00 H new ATOM 0 H3' DG A 1 8.484 0.384 4.648 1.00 0.00 H new ATOM 0 H2' DG A 1 6.069 0.319 4.178 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.154 -0.413 5.769 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.220 2.211 3.133 1.00 0.00 H new ATOM 0 H1' DG A 1 5.635 1.658 6.894 1.00 0.00 H new ATOM 0 H8 DG A 1 3.282 1.090 7.250 1.00 0.00 H new ATOM 0 H1 DG A 1 1.587 2.742 1.252 1.00 0.00 H new ATOM 0 H21 DG A 1 5.083 2.790 0.800 1.00 0.00 H new ATOM 0 H22 DG A 1 3.495 2.947 0.040 1.00 0.00 H new ATOM 32 P DG A 2 8.863 -0.816 7.092 1.00 0.00 P ATOM 33 OP1 DG A 2 9.677 -0.738 8.335 1.00 0.00 O ATOM 34 OP2 DG A 2 9.443 -1.470 5.904 1.00 0.00 O ATOM 35 O5' DG A 2 7.465 -1.539 7.464 1.00 0.00 O ATOM 36 C5' DG A 2 6.749 -1.188 8.639 1.00 0.00 C ATOM 37 C4' DG A 2 5.334 -1.789 8.687 1.00 0.00 C ATOM 38 O4' DG A 2 4.518 -1.221 7.667 1.00 0.00 O ATOM 39 C3' DG A 2 5.317 -3.315 8.513 1.00 0.00 C ATOM 40 O3' DG A 2 4.478 -3.909 9.490 1.00 0.00 O ATOM 41 C2' DG A 2 4.699 -3.503 7.133 1.00 0.00 C ATOM 42 C1' DG A 2 3.802 -2.270 7.044 1.00 0.00 C ATOM 43 N9 DG A 2 3.370 -1.906 5.684 1.00 0.00 N ATOM 44 C8 DG A 2 4.104 -1.930 4.536 1.00 0.00 C ATOM 45 N7 DG A 2 3.459 -1.567 3.463 1.00 0.00 N ATOM 46 C5 DG A 2 2.172 -1.319 3.940 1.00 0.00 C ATOM 47 C6 DG A 2 0.987 -0.933 3.240 1.00 0.00 C ATOM 48 O6 DG A 2 0.850 -0.714 2.039 1.00 0.00 O ATOM 49 N1 DG A 2 -0.109 -0.815 4.069 1.00 0.00 N ATOM 50 C2 DG A 2 -0.081 -1.037 5.414 1.00 0.00 C ATOM 51 N2 DG A 2 -1.227 -0.907 6.043 1.00 0.00 N ATOM 52 N3 DG A 2 0.998 -1.422 6.099 1.00 0.00 N ATOM 53 C4 DG A 2 2.104 -1.534 5.300 1.00 0.00 C ATOM 0 H5' DG A 2 6.678 -0.102 8.703 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.309 -1.523 9.512 1.00 0.00 H new ATOM 0 H4' DG A 2 4.947 -1.554 9.678 1.00 0.00 H new ATOM 0 H3' DG A 2 6.304 -3.767 8.617 1.00 0.00 H new ATOM 0 H2' DG A 2 5.451 -3.524 6.344 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.133 -4.431 7.058 1.00 0.00 H new ATOM 0 H1' DG A 2 2.858 -2.484 7.545 1.00 0.00 H new ATOM 0 H8 DG A 2 5.142 -2.227 4.517 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.998 -0.544 3.649 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.276 -1.059 7.050 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.068 -0.654 5.524 1.00 0.00 H new HETATM 65 P TAF A 3 4.791 -5.380 10.064 1.00 0.00 P HETATM 66 OP1 TAF A 3 3.630 -5.780 10.881 1.00 0.00 O HETATM 67 OP2 TAF A 3 6.143 -5.358 10.652 1.00 0.00 O HETATM 68 O5' TAF A 3 4.801 -6.278 8.726 1.00 0.00 O HETATM 69 N1 TAF A 3 2.553 -8.823 5.460 1.00 0.00 N HETATM 70 C6 TAF A 3 1.615 -7.929 5.939 1.00 0.00 C HETATM 71 C2 TAF A 3 2.165 -9.920 4.681 1.00 0.00 C HETATM 72 O2 TAF A 3 2.954 -10.733 4.212 1.00 0.00 O HETATM 73 N3 TAF A 3 0.819 -10.060 4.430 1.00 0.00 N HETATM 74 C4 TAF A 3 -0.174 -9.196 4.845 1.00 0.00 C HETATM 75 O4 TAF A 3 -1.329 -9.436 4.514 1.00 0.00 O HETATM 76 C5 TAF A 3 0.292 -8.067 5.646 1.00 0.00 C HETATM 77 C5M TAF A 3 -0.701 -7.018 6.119 1.00 0.00 C HETATM 78 F2' TAF A 3 3.758 -6.237 5.134 1.00 0.00 F HETATM 79 C2' TAF A 3 4.592 -7.339 5.069 1.00 0.00 C HETATM 80 C5' TAF A 3 5.789 -7.276 8.512 1.00 0.00 C HETATM 81 C4' TAF A 3 5.617 -7.995 7.166 1.00 0.00 C HETATM 82 O4' TAF A 3 4.317 -8.563 7.067 1.00 0.00 O HETATM 83 C1' TAF A 3 4.012 -8.616 5.689 1.00 0.00 C HETATM 84 C3' TAF A 3 5.811 -7.080 5.949 1.00 0.00 C HETATM 85 O3' TAF A 3 7.023 -7.379 5.253 1.00 0.00 O HETATM 0 H5'' TAF A 3 6.778 -6.818 8.552 1.00 0.00 H new HETATM 0 H73 TAF A 3 -0.676 -6.958 7.207 1.00 0.00 H new HETATM 0 H72 TAF A 3 -0.436 -6.049 5.696 1.00 0.00 H new HETATM 0 H71 TAF A 3 -1.704 -7.294 5.794 1.00 0.00 H new HETATM 0 H6 TAF A 3 1.940 -7.097 6.564 1.00 0.00 H new HETATM 0 H5' TAF A 3 5.743 -8.007 9.319 1.00 0.00 H new HETATM 0 H4' TAF A 3 6.394 -8.759 7.150 1.00 0.00 H new HETATM 0 H3' TAF A 3 5.894 -6.033 6.240 1.00 0.00 H new HETATM 0 H3 TAF A 3 0.530 -10.875 3.889 1.00 0.00 H new HETATM 0 H2' TAF A 3 4.780 -7.477 4.004 1.00 0.00 H new HETATM 0 H1' TAF A 3 4.464 -9.477 5.197 1.00 0.00 H new ATOM 97 P DT A 4 7.795 -6.235 4.394 1.00 0.00 P ATOM 98 OP1 DT A 4 9.058 -6.810 3.883 1.00 0.00 O ATOM 99 OP2 DT A 4 7.804 -5.020 5.231 1.00 0.00 O ATOM 100 O5' DT A 4 6.808 -5.974 3.151 1.00 0.00 O ATOM 101 C5' DT A 4 6.790 -6.830 2.019 1.00 0.00 C ATOM 102 C4' DT A 4 5.995 -6.202 0.869 1.00 0.00 C ATOM 103 O4' DT A 4 4.600 -6.173 1.097 1.00 0.00 O ATOM 104 C3' DT A 4 6.443 -4.765 0.543 1.00 0.00 C ATOM 105 O3' DT A 4 6.650 -4.590 -0.844 1.00 0.00 O ATOM 106 C2' DT A 4 5.205 -3.973 0.906 1.00 0.00 C ATOM 107 C1' DT A 4 4.147 -4.983 0.485 1.00 0.00 C ATOM 108 N1 DT A 4 2.800 -4.621 0.954 1.00 0.00 N ATOM 109 C2 DT A 4 1.795 -4.297 0.040 1.00 0.00 C ATOM 110 O2 DT A 4 1.970 -4.267 -1.182 1.00 0.00 O ATOM 111 N3 DT A 4 0.550 -4.039 0.580 1.00 0.00 N ATOM 112 C4 DT A 4 0.230 -4.091 1.921 1.00 0.00 C ATOM 113 O4 DT A 4 -0.932 -3.874 2.248 1.00 0.00 O ATOM 114 C5 DT A 4 1.337 -4.445 2.806 1.00 0.00 C ATOM 115 C7 DT A 4 1.129 -4.574 4.300 1.00 0.00 C ATOM 116 C6 DT A 4 2.569 -4.686 2.293 1.00 0.00 C ATOM 0 H5' DT A 4 6.348 -7.789 2.290 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.811 -7.030 1.694 1.00 0.00 H new ATOM 0 H4' DT A 4 6.209 -6.858 0.025 1.00 0.00 H new ATOM 0 H3' DT A 4 7.367 -4.490 1.052 1.00 0.00 H new ATOM 0 H2' DT A 4 5.157 -3.730 1.967 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.131 -3.033 0.360 1.00 0.00 H new ATOM 0 H1' DT A 4 4.041 -5.054 -0.598 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.197 -3.789 -0.068 1.00 0.00 H new ATOM 0 H71 DT A 4 0.332 -3.901 4.616 1.00 0.00 H new ATOM 0 H72 DT A 4 0.854 -5.601 4.542 1.00 0.00 H new ATOM 0 H73 DT A 4 2.051 -4.313 4.820 1.00 0.00 H new ATOM 0 H6 DT A 4 3.382 -4.934 2.960 1.00 0.00 H new ATOM 129 P DG A 5 8.063 -4.884 -1.528 1.00 0.00 P ATOM 130 OP1 DG A 5 8.170 -6.318 -1.861 1.00 0.00 O ATOM 131 OP2 DG A 5 9.154 -4.375 -0.673 1.00 0.00 O ATOM 132 O5' DG A 5 8.008 -4.008 -2.859 1.00 0.00 O ATOM 133 C5' DG A 5 8.115 -2.597 -2.785 1.00 0.00 C ATOM 134 C4' DG A 5 7.581 -1.963 -4.069 1.00 0.00 C ATOM 135 O4' DG A 5 6.159 -2.098 -4.101 1.00 0.00 O ATOM 136 C3' DG A 5 7.889 -0.462 -4.128 1.00 0.00 C ATOM 137 O3' DG A 5 8.201 -0.133 -5.475 1.00 0.00 O ATOM 138 C2' DG A 5 6.572 0.145 -3.658 1.00 0.00 C ATOM 139 C1' DG A 5 5.597 -0.819 -4.325 1.00 0.00 C ATOM 140 N9 DG A 5 4.182 -0.752 -3.872 1.00 0.00 N ATOM 141 C8 DG A 5 3.076 -0.745 -4.686 1.00 0.00 C ATOM 142 N7 DG A 5 1.934 -0.789 -4.058 1.00 0.00 N ATOM 143 C5 DG A 5 2.305 -0.754 -2.714 1.00 0.00 C ATOM 144 C6 DG A 5 1.491 -0.734 -1.535 1.00 0.00 C ATOM 145 O6 DG A 5 0.268 -0.744 -1.465 1.00 0.00 O ATOM 146 N1 DG A 5 2.217 -0.698 -0.362 1.00 0.00 N ATOM 147 C2 DG A 5 3.580 -0.659 -0.326 1.00 0.00 C ATOM 148 N2 DG A 5 4.168 -0.633 0.843 1.00 0.00 N ATOM 149 N3 DG A 5 4.365 -0.691 -1.404 1.00 0.00 N ATOM 150 C4 DG A 5 3.676 -0.730 -2.583 1.00 0.00 C ATOM 0 H5' DG A 5 9.156 -2.311 -2.634 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.555 -2.226 -1.927 1.00 0.00 H new ATOM 0 H4' DG A 5 8.060 -2.468 -4.908 1.00 0.00 H new ATOM 0 H3' DG A 5 8.731 -0.114 -3.529 1.00 0.00 H new ATOM 0 H2' DG A 5 6.478 0.151 -2.572 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.441 1.173 -3.995 1.00 0.00 H new ATOM 0 H1' DG A 5 5.497 -0.554 -5.378 1.00 0.00 H new ATOM 0 H8 DG A 5 3.147 -0.706 -5.763 1.00 0.00 H new ATOM 0 H1 DG A 5 1.709 -0.701 0.522 1.00 0.00 H new ATOM 0 H21 DG A 5 5.186 -0.604 0.901 1.00 0.00 H new ATOM 0 H22 DG A 5 3.608 -0.642 1.696 1.00 0.00 H new ATOM 162 P DG A 6 8.695 1.339 -5.921 1.00 0.00 P ATOM 163 OP1 DG A 6 9.382 1.223 -7.225 1.00 0.00 O ATOM 164 OP2 DG A 6 9.374 1.963 -4.765 1.00 0.00 O ATOM 165 O5' DG A 6 7.285 2.089 -6.150 1.00 0.00 O ATOM 166 C5' DG A 6 6.404 1.691 -7.185 1.00 0.00 C ATOM 167 C4' DG A 6 4.995 2.262 -6.980 1.00 0.00 C ATOM 168 O4' DG A 6 4.431 1.872 -5.737 1.00 0.00 O ATOM 169 C3' DG A 6 4.931 3.791 -7.032 1.00 0.00 C ATOM 170 O3' DG A 6 4.452 4.156 -8.317 1.00 0.00 O ATOM 171 C2' DG A 6 3.957 4.158 -5.905 1.00 0.00 C ATOM 172 C1' DG A 6 3.411 2.807 -5.448 1.00 0.00 C ATOM 173 N9 DG A 6 3.002 2.779 -4.026 1.00 0.00 N ATOM 174 C8 DG A 6 3.760 2.914 -2.885 1.00 0.00 C ATOM 175 N7 DG A 6 3.072 2.862 -1.780 1.00 0.00 N ATOM 176 C5 DG A 6 1.756 2.706 -2.211 1.00 0.00 C ATOM 177 C6 DG A 6 0.537 2.621 -1.464 1.00 0.00 C ATOM 178 O6 DG A 6 0.397 2.655 -0.242 1.00 0.00 O ATOM 179 N1 DG A 6 -0.579 2.497 -2.277 1.00 0.00 N ATOM 180 C2 DG A 6 -0.534 2.481 -3.644 1.00 0.00 C ATOM 181 N2 DG A 6 -1.661 2.413 -4.317 1.00 0.00 N ATOM 182 N3 DG A 6 0.590 2.542 -4.361 1.00 0.00 N ATOM 183 C4 DG A 6 1.704 2.661 -3.585 1.00 0.00 C ATOM 0 H5' DG A 6 6.354 0.603 -7.222 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.796 2.025 -8.146 1.00 0.00 H new ATOM 0 H4' DG A 6 4.430 1.847 -7.815 1.00 0.00 H new ATOM 0 H3' DG A 6 5.882 4.304 -6.892 1.00 0.00 H new ATOM 0 H2' DG A 6 4.462 4.682 -5.093 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.161 4.813 -6.260 1.00 0.00 H new ATOM 0 H1' DG A 6 2.486 2.572 -5.975 1.00 0.00 H new ATOM 0 H8 DG A 6 4.831 3.051 -2.904 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.491 2.412 -1.828 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.646 2.400 -5.337 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.550 2.373 -3.819 1.00 0.00 H new ATOM 195 P DT A 7 4.396 5.683 -8.831 1.00 0.00 P ATOM 196 OP1 DT A 7 4.403 5.676 -10.303 1.00 0.00 O ATOM 197 OP2 DT A 7 5.399 6.485 -8.093 1.00 0.00 O ATOM 198 O5' DT A 7 2.955 6.171 -8.302 1.00 0.00 O ATOM 199 C5' DT A 7 1.980 6.803 -9.121 1.00 0.00 C ATOM 200 C4' DT A 7 0.673 6.000 -9.215 1.00 0.00 C ATOM 201 O4' DT A 7 0.803 4.926 -10.136 1.00 0.00 O ATOM 202 C3' DT A 7 0.224 5.397 -7.870 1.00 0.00 C ATOM 203 O3' DT A 7 -1.169 5.541 -7.696 1.00 0.00 O ATOM 204 C2' DT A 7 0.532 3.922 -8.064 1.00 0.00 C ATOM 205 C1' DT A 7 0.212 3.784 -9.547 1.00 0.00 C ATOM 206 N1 DT A 7 0.780 2.544 -10.133 1.00 0.00 N ATOM 207 C2 DT A 7 -0.088 1.596 -10.682 1.00 0.00 C ATOM 208 O2 DT A 7 -1.307 1.725 -10.728 1.00 0.00 O ATOM 209 N3 DT A 7 0.493 0.451 -11.180 1.00 0.00 N ATOM 210 C4 DT A 7 1.841 0.153 -11.159 1.00 0.00 C ATOM 211 O4 DT A 7 2.208 -0.924 -11.620 1.00 0.00 O ATOM 212 C5 DT A 7 2.687 1.187 -10.571 1.00 0.00 C ATOM 213 C7 DT A 7 4.197 1.012 -10.519 1.00 0.00 C ATOM 214 C6 DT A 7 2.138 2.332 -10.092 1.00 0.00 C ATOM 0 H5' DT A 7 2.388 6.943 -10.122 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.765 7.795 -8.723 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.076 6.720 -9.544 1.00 0.00 H new ATOM 0 H3' DT A 7 0.706 5.864 -7.011 1.00 0.00 H new ATOM 0 H2' DT A 7 1.570 3.678 -7.836 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.090 3.280 -7.441 1.00 0.00 H new ATOM 0 H1' DT A 7 -0.862 3.717 -9.720 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.128 -0.239 -11.602 1.00 0.00 H new ATOM 0 H71 DT A 7 4.678 1.989 -10.568 1.00 0.00 H new ATOM 0 H72 DT A 7 4.474 0.517 -9.588 1.00 0.00 H new ATOM 0 H73 DT A 7 4.522 0.405 -11.364 1.00 0.00 H new ATOM 0 H6 DT A 7 2.780 3.091 -9.671 1.00 0.00 H new ATOM 227 P DG A 8 -1.806 6.940 -7.225 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.161 7.025 -7.801 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.813 8.005 -7.486 1.00 0.00 O ATOM 230 O5' DG A 8 -1.897 6.699 -5.636 1.00 0.00 O ATOM 231 C5' DG A 8 -2.932 5.908 -5.073 1.00 0.00 C ATOM 232 C4' DG A 8 -2.927 5.969 -3.541 1.00 0.00 C ATOM 233 O4' DG A 8 -1.829 5.236 -3.026 1.00 0.00 O ATOM 234 C3' DG A 8 -2.868 7.399 -2.988 1.00 0.00 C ATOM 235 O3' DG A 8 -4.061 7.744 -2.310 1.00 0.00 O ATOM 236 C2' DG A 8 -1.732 7.380 -1.973 1.00 0.00 C ATOM 237 C1' DG A 8 -1.108 5.988 -2.071 1.00 0.00 C ATOM 238 N9 DG A 8 0.315 6.061 -2.474 1.00 0.00 N ATOM 239 C8 DG A 8 0.853 6.195 -3.730 1.00 0.00 C ATOM 240 N7 DG A 8 2.160 6.238 -3.749 1.00 0.00 N ATOM 241 C5 DG A 8 2.517 6.141 -2.400 1.00 0.00 C ATOM 242 C6 DG A 8 3.799 6.126 -1.746 1.00 0.00 C ATOM 243 O6 DG A 8 4.926 6.186 -2.228 1.00 0.00 O ATOM 244 N1 DG A 8 3.715 6.026 -0.369 1.00 0.00 N ATOM 245 C2 DG A 8 2.536 5.946 0.314 1.00 0.00 C ATOM 246 N2 DG A 8 2.586 5.863 1.623 1.00 0.00 N ATOM 247 N3 DG A 8 1.333 5.954 -0.254 1.00 0.00 N ATOM 248 C4 DG A 8 1.388 6.048 -1.616 1.00 0.00 C ATOM 0 H5' DG A 8 -2.815 4.873 -5.396 1.00 0.00 H new ATOM 0 H5'' DG A 8 -3.896 6.252 -5.447 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.872 5.531 -3.220 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.728 8.119 -3.794 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.997 8.154 -2.194 1.00 0.00 H new ATOM 0 H2'' DG A 8 -2.104 7.572 -0.966 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.155 5.514 -1.091 1.00 0.00 H new ATOM 0 H8 DG A 8 0.250 6.259 -4.624 1.00 0.00 H new ATOM 0 H1 DG A 8 4.583 6.011 0.166 1.00 0.00 H new ATOM 0 H21 DG A 8 1.723 5.802 2.163 1.00 0.00 H new ATOM 0 H22 DG A 8 3.488 5.860 2.100 1.00 0.00 H new ATOM 260 P DT A 9 -5.257 8.521 -3.061 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.280 8.108 -4.477 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.164 9.951 -2.700 1.00 0.00 O ATOM 263 O5' DT A 9 -6.535 7.884 -2.338 1.00 0.00 O ATOM 264 C5' DT A 9 -7.128 6.680 -2.799 1.00 0.00 C ATOM 265 C4' DT A 9 -8.182 6.200 -1.801 1.00 0.00 C ATOM 266 O4' DT A 9 -7.520 5.798 -0.609 1.00 0.00 O ATOM 267 C3' DT A 9 -9.178 7.307 -1.419 1.00 0.00 C ATOM 268 O3' DT A 9 -10.509 6.817 -1.349 1.00 0.00 O ATOM 269 C2' DT A 9 -8.715 7.700 -0.022 1.00 0.00 C ATOM 270 C1' DT A 9 -8.173 6.375 0.503 1.00 0.00 C ATOM 271 N1 DT A 9 -7.268 6.560 1.672 1.00 0.00 N ATOM 272 C2 DT A 9 -7.863 6.793 2.917 1.00 0.00 C ATOM 273 O2 DT A 9 -9.074 6.829 3.104 1.00 0.00 O ATOM 274 N3 DT A 9 -7.019 6.997 3.985 1.00 0.00 N ATOM 275 C4 DT A 9 -5.645 6.919 3.950 1.00 0.00 C ATOM 276 O4 DT A 9 -5.032 7.058 5.003 1.00 0.00 O ATOM 277 C5 DT A 9 -5.079 6.672 2.624 1.00 0.00 C ATOM 278 C7 DT A 9 -3.571 6.587 2.452 1.00 0.00 C ATOM 279 C6 DT A 9 -5.892 6.515 1.542 1.00 0.00 C ATOM 0 H5' DT A 9 -6.363 5.915 -2.929 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.586 6.841 -3.775 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.732 5.385 -2.272 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.193 8.121 -2.143 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.949 8.475 -0.047 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.533 8.080 0.590 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.963 5.729 0.886 1.00 0.00 H new ATOM 0 H3 DT A 9 -7.449 7.226 4.881 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.336 5.916 1.626 1.00 0.00 H new ATOM 0 H72 DT A 9 -3.173 7.579 2.238 1.00 0.00 H new ATOM 0 H73 DT A 9 -3.121 6.205 3.368 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.455 6.353 0.568 1.00 0.00 H new ATOM 292 P DG A 10 -11.501 6.922 -2.616 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.373 8.275 -3.200 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.835 6.423 -2.212 1.00 0.00 O ATOM 295 O5' DG A 10 -10.877 5.878 -3.666 1.00 0.00 O ATOM 296 C5' DG A 10 -11.074 4.482 -3.532 1.00 0.00 C ATOM 297 C4' DG A 10 -10.329 3.762 -4.655 1.00 0.00 C ATOM 298 O4' DG A 10 -8.921 3.942 -4.509 1.00 0.00 O ATOM 299 C3' DG A 10 -10.582 2.246 -4.651 1.00 0.00 C ATOM 300 O3' DG A 10 -10.775 1.834 -5.998 1.00 0.00 O ATOM 301 C2' DG A 10 -9.275 1.732 -4.057 1.00 0.00 C ATOM 302 C1' DG A 10 -8.315 2.689 -4.745 1.00 0.00 C ATOM 303 N9 DG A 10 -6.906 2.618 -4.247 1.00 0.00 N ATOM 304 C8 DG A 10 -5.739 2.408 -4.961 1.00 0.00 C ATOM 305 N7 DG A 10 -4.647 2.462 -4.250 1.00 0.00 N ATOM 306 C5 DG A 10 -5.115 2.672 -2.960 1.00 0.00 C ATOM 307 C6 DG A 10 -4.394 2.762 -1.730 1.00 0.00 C ATOM 308 O6 DG A 10 -3.184 2.705 -1.548 1.00 0.00 O ATOM 309 N1 DG A 10 -5.204 2.903 -0.629 1.00 0.00 N ATOM 310 C2 DG A 10 -6.560 2.928 -0.677 1.00 0.00 C ATOM 311 N2 DG A 10 -7.200 2.982 0.473 1.00 0.00 N ATOM 312 N3 DG A 10 -7.265 2.861 -1.807 1.00 0.00 N ATOM 313 C4 DG A 10 -6.491 2.734 -2.930 1.00 0.00 C ATOM 0 H5' DG A 10 -12.137 4.246 -3.575 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.711 4.142 -2.562 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.699 4.193 -5.585 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.453 1.892 -4.100 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.245 1.813 -2.970 1.00 0.00 H new ATOM 0 H2'' DG A 10 -9.080 0.688 -4.305 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.183 2.455 -5.801 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.733 2.215 -6.024 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.757 2.995 0.283 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.220 3.003 0.489 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.676 3.003 1.348 1.00 0.00 H new ATOM 325 P DG A 11 -11.158 0.318 -6.389 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.752 0.343 -7.744 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.907 -0.259 -5.256 1.00 0.00 O ATOM 328 O5' DG A 11 -9.703 -0.371 -6.485 1.00 0.00 O ATOM 329 C5' DG A 11 -8.820 -0.045 -7.545 1.00 0.00 C ATOM 330 C4' DG A 11 -7.430 -0.662 -7.360 1.00 0.00 C ATOM 331 O4' DG A 11 -6.844 -0.192 -6.152 1.00 0.00 O ATOM 332 C3' DG A 11 -7.447 -2.196 -7.304 1.00 0.00 C ATOM 333 O3' DG A 11 -6.492 -2.719 -8.211 1.00 0.00 O ATOM 334 C2' DG A 11 -6.983 -2.508 -5.887 1.00 0.00 C ATOM 335 C1' DG A 11 -6.132 -1.272 -5.588 1.00 0.00 C ATOM 336 N9 DG A 11 -5.822 -1.034 -4.160 1.00 0.00 N ATOM 337 C8 DG A 11 -6.663 -0.962 -3.072 1.00 0.00 C ATOM 338 N7 DG A 11 -6.049 -0.750 -1.943 1.00 0.00 N ATOM 339 C5 DG A 11 -4.703 -0.717 -2.290 1.00 0.00 C ATOM 340 C6 DG A 11 -3.537 -0.598 -1.465 1.00 0.00 C ATOM 341 O6 DG A 11 -3.480 -0.503 -0.240 1.00 0.00 O ATOM 342 N1 DG A 11 -2.361 -0.634 -2.191 1.00 0.00 N ATOM 343 C2 DG A 11 -2.309 -0.786 -3.545 1.00 0.00 C ATOM 344 N2 DG A 11 -1.122 -0.876 -4.097 1.00 0.00 N ATOM 345 N3 DG A 11 -3.373 -0.923 -4.337 1.00 0.00 N ATOM 346 C4 DG A 11 -4.553 -0.876 -3.648 1.00 0.00 C ATOM 0 H5' DG A 11 -8.727 1.039 -7.616 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.245 -0.391 -8.487 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.852 -0.358 -8.233 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.422 -2.615 -7.554 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.817 -2.614 -5.193 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.405 -3.431 -5.835 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.140 -1.410 -6.018 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.735 -1.071 -3.148 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.481 -0.541 -1.684 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.037 -0.991 -5.107 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.285 -0.831 -3.516 1.00 0.00 H new ATOM 358 P DT A 12 -6.734 -4.119 -8.969 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.459 -4.524 -9.597 1.00 0.00 O ATOM 360 OP2 DT A 12 -7.956 -3.977 -9.790 1.00 0.00 O ATOM 361 O5' DT A 12 -7.040 -5.137 -7.752 1.00 0.00 O ATOM 362 C5' DT A 12 -8.224 -5.920 -7.732 1.00 0.00 C ATOM 363 C4' DT A 12 -8.320 -6.783 -6.466 1.00 0.00 C ATOM 364 O4' DT A 12 -7.173 -7.615 -6.356 1.00 0.00 O ATOM 365 C3' DT A 12 -8.411 -5.944 -5.185 1.00 0.00 C ATOM 366 O3' DT A 12 -9.572 -6.271 -4.432 1.00 0.00 O ATOM 367 C2' DT A 12 -7.169 -6.323 -4.392 1.00 0.00 C ATOM 368 C1' DT A 12 -6.798 -7.679 -4.997 1.00 0.00 C ATOM 369 N1 DT A 12 -5.356 -8.026 -4.860 1.00 0.00 N ATOM 370 C2 DT A 12 -5.035 -9.248 -4.258 1.00 0.00 C ATOM 371 O2 DT A 12 -5.870 -10.078 -3.909 1.00 0.00 O ATOM 372 N3 DT A 12 -3.700 -9.502 -4.036 1.00 0.00 N ATOM 373 C4 DT A 12 -2.655 -8.653 -4.332 1.00 0.00 C ATOM 374 O4 DT A 12 -1.517 -8.995 -4.031 1.00 0.00 O ATOM 375 C5 DT A 12 -3.050 -7.406 -4.984 1.00 0.00 C ATOM 376 C7 DT A 12 -1.995 -6.361 -5.316 1.00 0.00 C ATOM 377 C6 DT A 12 -4.362 -7.143 -5.239 1.00 0.00 C ATOM 0 H5' DT A 12 -8.249 -6.563 -8.612 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.093 -5.265 -7.791 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.232 -7.372 -6.565 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.472 -4.879 -5.409 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.370 -5.591 -4.513 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.375 -6.397 -3.324 1.00 0.00 H new ATOM 0 H1' DT A 12 -7.319 -8.470 -4.458 1.00 0.00 H new ATOM 0 H3 DT A 12 -3.463 -10.400 -3.614 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.185 -6.419 -4.589 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.601 -6.547 -6.315 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.443 -5.368 -5.282 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.631 -6.228 -5.746 1.00 0.00 H new ATOM 390 P DT A 13 -10.366 -5.120 -3.628 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.634 -5.761 -3.211 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.390 -3.930 -4.487 1.00 0.00 O ATOM 393 O5' DT A 13 -9.478 -4.815 -2.315 1.00 0.00 O ATOM 394 C5' DT A 13 -9.783 -5.420 -1.068 1.00 0.00 C ATOM 395 C4' DT A 13 -8.943 -4.867 0.088 1.00 0.00 C ATOM 396 O4' DT A 13 -7.576 -5.226 -0.012 1.00 0.00 O ATOM 397 C3' DT A 13 -9.032 -3.343 0.265 1.00 0.00 C ATOM 398 O3' DT A 13 -9.580 -2.965 1.508 1.00 0.00 O ATOM 399 C2' DT A 13 -7.574 -2.951 0.343 1.00 0.00 C ATOM 400 C1' DT A 13 -6.847 -4.239 0.693 1.00 0.00 C ATOM 401 N1 DT A 13 -5.451 -4.162 0.216 1.00 0.00 N ATOM 402 C2 DT A 13 -4.388 -4.040 1.109 1.00 0.00 C ATOM 403 O2 DT A 13 -4.530 -3.998 2.327 1.00 0.00 O ATOM 404 N3 DT A 13 -3.129 -3.978 0.542 1.00 0.00 N ATOM 405 C4 DT A 13 -2.843 -4.002 -0.807 1.00 0.00 C ATOM 406 O4 DT A 13 -1.665 -3.945 -1.159 1.00 0.00 O ATOM 407 C5 DT A 13 -4.017 -4.109 -1.671 1.00 0.00 C ATOM 408 C7 DT A 13 -3.869 -4.177 -3.173 1.00 0.00 C ATOM 409 C6 DT A 13 -5.261 -4.167 -1.132 1.00 0.00 C ATOM 0 H5' DT A 13 -9.623 -6.496 -1.144 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.840 -5.270 -0.846 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.387 -5.334 0.967 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.641 -2.897 -0.521 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.222 -2.543 -0.604 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.410 -2.185 1.101 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.798 -4.445 1.762 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.337 -3.908 1.181 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.977 -3.629 -3.476 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.778 -5.218 -3.483 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.745 -3.733 -3.645 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.119 -4.218 -1.786 1.00 0.00 H new ATOM 422 P DG A 14 -11.158 -2.929 1.773 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.631 -4.330 1.832 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.766 -1.972 0.825 1.00 0.00 O ATOM 425 O5' DG A 14 -11.176 -2.284 3.250 1.00 0.00 O ATOM 426 C5' DG A 14 -10.876 -0.911 3.458 1.00 0.00 C ATOM 427 C4' DG A 14 -10.536 -0.661 4.933 1.00 0.00 C ATOM 428 O4' DG A 14 -9.219 -1.157 5.181 1.00 0.00 O ATOM 429 C3' DG A 14 -10.519 0.834 5.306 1.00 0.00 C ATOM 430 O3' DG A 14 -10.986 0.998 6.643 1.00 0.00 O ATOM 431 C2' DG A 14 -9.035 1.153 5.213 1.00 0.00 C ATOM 432 C1' DG A 14 -8.457 -0.121 5.769 1.00 0.00 C ATOM 433 N9 DG A 14 -6.999 -0.196 5.526 1.00 0.00 N ATOM 434 C8 DG A 14 -6.040 -0.084 6.486 1.00 0.00 C ATOM 435 N7 DG A 14 -4.815 -0.245 6.067 1.00 0.00 N ATOM 436 C5 DG A 14 -4.973 -0.364 4.685 1.00 0.00 C ATOM 437 C6 DG A 14 -3.992 -0.448 3.640 1.00 0.00 C ATOM 438 O6 DG A 14 -2.773 -0.495 3.738 1.00 0.00 O ATOM 439 N1 DG A 14 -4.530 -0.406 2.371 1.00 0.00 N ATOM 440 C2 DG A 14 -5.852 -0.212 2.130 1.00 0.00 C ATOM 441 N2 DG A 14 -6.187 -0.011 0.884 1.00 0.00 N ATOM 442 N3 DG A 14 -6.798 -0.158 3.066 1.00 0.00 N ATOM 443 C4 DG A 14 -6.302 -0.253 4.335 1.00 0.00 C ATOM 0 H5' DG A 14 -11.727 -0.297 3.164 1.00 0.00 H new ATOM 0 H5'' DG A 14 -10.037 -0.615 2.828 1.00 0.00 H new ATOM 0 H4' DG A 14 -11.305 -1.159 5.523 1.00 0.00 H new ATOM 0 H3' DG A 14 -11.146 1.470 4.681 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.713 1.344 4.189 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.759 2.027 5.802 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.528 -0.193 6.854 1.00 0.00 H new ATOM 0 H8 DG A 14 -6.276 0.123 7.519 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.904 -0.527 1.575 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.165 0.141 0.637 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.471 -0.006 0.158 1.00 0.00 H new ATOM 455 P DG A 15 -11.281 2.452 7.301 1.00 0.00 P ATOM 456 OP1 DG A 15 -12.075 2.244 8.528 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.784 3.340 6.234 1.00 0.00 O ATOM 458 O5' DG A 15 -9.821 2.987 7.749 1.00 0.00 O ATOM 459 C5' DG A 15 -9.109 2.390 8.821 1.00 0.00 C ATOM 460 C4' DG A 15 -7.678 2.940 8.940 1.00 0.00 C ATOM 461 O4' DG A 15 -6.943 2.607 7.768 1.00 0.00 O ATOM 462 C3' DG A 15 -7.620 4.467 9.103 1.00 0.00 C ATOM 463 O3' DG A 15 -6.614 4.839 10.035 1.00 0.00 O ATOM 464 C2' DG A 15 -7.223 4.949 7.710 1.00 0.00 C ATOM 465 C1' DG A 15 -6.339 3.782 7.255 1.00 0.00 C ATOM 466 N9 DG A 15 -6.079 3.654 5.807 1.00 0.00 N ATOM 467 C8 DG A 15 -6.934 3.875 4.767 1.00 0.00 C ATOM 468 N7 DG A 15 -6.437 3.650 3.582 1.00 0.00 N ATOM 469 C5 DG A 15 -5.117 3.287 3.867 1.00 0.00 C ATOM 470 C6 DG A 15 -4.028 2.960 2.996 1.00 0.00 C ATOM 471 O6 DG A 15 -4.017 2.897 1.778 1.00 0.00 O ATOM 472 N1 DG A 15 -2.844 2.696 3.652 1.00 0.00 N ATOM 473 C2 DG A 15 -2.717 2.713 5.005 1.00 0.00 C ATOM 474 N2 DG A 15 -1.518 2.441 5.460 1.00 0.00 N ATOM 475 N3 DG A 15 -3.700 3.019 5.857 1.00 0.00 N ATOM 476 C4 DG A 15 -4.883 3.297 5.224 1.00 0.00 C ATOM 0 H5' DG A 15 -9.071 1.311 8.674 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.644 2.567 9.754 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.254 2.487 9.836 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.557 4.886 9.468 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.086 5.094 7.060 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.681 5.894 7.737 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.593 5.815 10.122 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.338 3.969 7.645 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.949 4.212 4.914 1.00 0.00 H new ATOM 0 H1 DG A 15 -2.020 2.476 3.092 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.343 2.434 6.465 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.760 2.236 4.809 1.00 0.00 H new TER 489 DG A 15