USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 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 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.478 (180deg=-2.4!) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.442 (180deg=-0.442) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.157 (180deg=-1.47) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0156 (180deg=-0.0156) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.508 5.515 -6.114 1.00 8.00 P ATOM 2 OP1 DG A 1 11.937 5.141 -6.197 1.00 8.00 O ATOM 3 OP2 DG A 1 9.940 6.486 -7.069 1.00 8.00 O ATOM 4 O5' DG A 1 9.631 4.157 -6.205 1.00 8.00 O ATOM 5 C5' DG A 1 9.959 2.962 -5.505 1.00 8.00 C ATOM 6 C4' DG A 1 9.736 3.129 -4.001 1.00 8.00 C ATOM 7 O4' DG A 1 8.377 3.379 -3.671 1.00 8.00 O ATOM 8 C3' DG A 1 10.166 1.923 -3.159 1.00 8.00 C ATOM 9 O3' DG A 1 11.319 2.290 -2.420 1.00 8.00 O ATOM 10 C2' DG A 1 8.976 1.737 -2.224 1.00 8.00 C ATOM 11 C1' DG A 1 8.325 3.107 -2.294 1.00 8.00 C ATOM 12 N9 DG A 1 6.992 3.138 -1.669 1.00 8.00 N ATOM 13 C8 DG A 1 6.710 3.654 -0.427 1.00 8.00 C ATOM 14 N7 DG A 1 5.447 3.675 -0.111 1.00 8.00 N ATOM 15 C5 DG A 1 4.875 3.050 -1.216 1.00 8.00 C ATOM 16 C6 DG A 1 3.494 2.718 -1.435 1.00 8.00 C ATOM 17 O6 DG A 1 2.522 2.969 -0.715 1.00 8.00 O ATOM 18 N1 DG A 1 3.273 1.986 -2.592 1.00 8.00 N ATOM 19 C2 DG A 1 4.250 1.638 -3.475 1.00 8.00 C ATOM 20 N2 DG A 1 3.872 0.977 -4.557 1.00 8.00 N ATOM 21 N3 DG A 1 5.541 1.958 -3.314 1.00 8.00 N ATOM 22 C4 DG A 1 5.796 2.659 -2.157 1.00 8.00 C ATOM 0 H5' DG A 1 11.000 2.699 -5.695 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.349 2.139 -5.878 1.00 8.00 H new ATOM 0 H4' DG A 1 10.366 3.985 -3.761 1.00 8.00 H new ATOM 0 H3' DG A 1 10.407 1.025 -3.728 1.00 8.00 H new ATOM 0 H2' DG A 1 8.307 0.946 -2.563 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.286 1.480 -1.211 1.00 8.00 H new ATOM 0 H1' DG A 1 8.823 3.886 -1.716 1.00 8.00 H new ATOM 0 H8 DG A 1 7.480 4.016 0.239 1.00 8.00 H new ATOM 0 H1 DG A 1 2.318 1.689 -2.795 1.00 8.00 H new ATOM 0 H21 DG A 1 4.565 0.693 -5.249 1.00 8.00 H new ATOM 0 H22 DG A 1 2.887 0.751 -4.699 1.00 8.00 H new ATOM 34 P DG A 2 12.212 1.224 -1.605 1.00 8.00 P ATOM 35 OP1 DG A 2 13.492 1.888 -1.281 1.00 8.00 O ATOM 36 OP2 DG A 2 12.198 -0.034 -2.374 1.00 8.00 O ATOM 37 O5' DG A 2 11.401 0.993 -0.232 1.00 8.00 O ATOM 38 C5' DG A 2 11.356 2.000 0.762 1.00 8.00 C ATOM 39 C4' DG A 2 10.482 1.608 1.953 1.00 8.00 C ATOM 40 O4' DG A 2 9.099 1.749 1.651 1.00 8.00 O ATOM 41 C3' DG A 2 10.717 0.172 2.417 1.00 8.00 C ATOM 42 O3' DG A 2 10.698 0.215 3.832 1.00 8.00 O ATOM 43 C2' DG A 2 9.485 -0.567 1.914 1.00 8.00 C ATOM 44 C1' DG A 2 8.440 0.549 2.020 1.00 8.00 C ATOM 45 N9 DG A 2 7.220 0.412 1.210 1.00 8.00 N ATOM 46 C8 DG A 2 7.079 -0.187 -0.010 1.00 8.00 C ATOM 47 N7 DG A 2 5.850 -0.335 -0.423 1.00 8.00 N ATOM 48 C5 DG A 2 5.136 0.257 0.616 1.00 8.00 C ATOM 49 C6 DG A 2 3.710 0.355 0.804 1.00 8.00 C ATOM 50 O6 DG A 2 2.805 -0.031 0.056 1.00 8.00 O ATOM 51 N1 DG A 2 3.345 0.943 2.006 1.00 8.00 N ATOM 52 C2 DG A 2 4.233 1.416 2.925 1.00 8.00 C ATOM 53 N2 DG A 2 3.729 1.943 4.026 1.00 8.00 N ATOM 54 N3 DG A 2 5.561 1.374 2.764 1.00 8.00 N ATOM 55 C4 DG A 2 5.949 0.758 1.600 1.00 8.00 C ATOM 0 H5' DG A 2 10.975 2.922 0.323 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.368 2.207 1.111 1.00 8.00 H new ATOM 0 H4' DG A 2 10.769 2.289 2.754 1.00 8.00 H new ATOM 0 H3' DG A 2 11.643 -0.288 2.071 1.00 8.00 H new ATOM 0 H2' DG A 2 9.605 -0.929 0.893 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.236 -1.430 2.531 1.00 8.00 H new ATOM 0 H1' DG A 2 8.071 0.520 3.045 1.00 8.00 H new ATOM 0 H8 DG A 2 7.927 -0.516 -0.593 1.00 8.00 H new ATOM 0 H1 DG A 2 2.350 1.027 2.215 1.00 8.00 H new ATOM 0 H21 DG A 2 4.351 2.312 4.746 1.00 8.00 H new ATOM 0 H22 DG A 2 2.718 1.981 4.157 1.00 8.00 H new ATOM 67 P DT A 3 11.752 -0.602 4.711 1.00 8.00 P ATOM 68 OP1 DT A 3 11.446 -0.372 6.137 1.00 8.00 O ATOM 69 OP2 DT A 3 13.108 -0.337 4.189 1.00 8.00 O ATOM 70 O5' DT A 3 11.350 -2.098 4.335 1.00 8.00 O ATOM 71 C5' DT A 3 12.330 -3.112 4.295 1.00 8.00 C ATOM 72 C4' DT A 3 11.695 -4.436 3.905 1.00 8.00 C ATOM 73 O4' DT A 3 10.701 -4.778 4.848 1.00 8.00 O ATOM 74 C3' DT A 3 11.022 -4.362 2.535 1.00 8.00 C ATOM 75 O3' DT A 3 11.632 -5.230 1.609 1.00 8.00 O ATOM 76 C2' DT A 3 9.629 -4.872 2.821 1.00 8.00 C ATOM 77 C1' DT A 3 9.737 -5.548 4.176 1.00 8.00 C ATOM 78 N1 DT A 3 8.427 -5.617 4.867 1.00 8.00 N ATOM 79 C2 DT A 3 8.407 -5.766 6.262 1.00 8.00 C ATOM 80 O2 DT A 3 9.390 -5.965 6.968 1.00 8.00 O ATOM 81 N3 DT A 3 7.170 -5.777 6.860 1.00 8.00 N ATOM 82 C4 DT A 3 5.958 -5.785 6.209 1.00 8.00 C ATOM 83 O4 DT A 3 4.931 -5.820 6.876 1.00 8.00 O ATOM 84 C5 DT A 3 6.054 -5.794 4.754 1.00 8.00 C ATOM 85 C7 DT A 3 4.804 -5.897 3.915 1.00 8.00 C ATOM 86 C6 DT A 3 7.257 -5.713 4.136 1.00 8.00 C ATOM 0 H5' DT A 3 12.810 -3.203 5.269 1.00 8.00 H new ATOM 0 H5'' DT A 3 13.109 -2.848 3.579 1.00 8.00 H new ATOM 0 H4' DT A 3 12.492 -5.179 3.874 1.00 8.00 H new ATOM 0 H3' DT A 3 11.070 -3.361 2.107 1.00 8.00 H new ATOM 0 H2' DT A 3 8.905 -4.057 2.842 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.299 -5.573 2.054 1.00 8.00 H new ATOM 0 H1' DT A 3 10.034 -6.595 4.119 1.00 8.00 H new ATOM 0 H3 DT A 3 7.148 -5.779 7.880 1.00 8.00 H new ATOM 0 H71 DT A 3 4.958 -5.381 2.967 1.00 8.00 H new ATOM 0 H72 DT A 3 4.579 -6.946 3.724 1.00 8.00 H new ATOM 0 H73 DT A 3 3.970 -5.438 4.447 1.00 8.00 H new ATOM 0 H6 DT A 3 7.303 -5.724 3.057 1.00 8.00 H new ATOM 99 P DT A 4 11.531 -4.941 0.031 1.00 8.00 P ATOM 100 OP1 DT A 4 12.203 -6.060 -0.659 1.00 8.00 O ATOM 101 OP2 DT A 4 11.966 -3.551 -0.193 1.00 8.00 O ATOM 102 O5' DT A 4 9.949 -5.014 -0.287 1.00 8.00 O ATOM 103 C5' DT A 4 9.288 -6.256 -0.444 1.00 8.00 C ATOM 104 C4' DT A 4 7.791 -6.083 -0.717 1.00 8.00 C ATOM 105 O4' DT A 4 7.042 -5.525 0.346 1.00 8.00 O ATOM 106 C3' DT A 4 7.499 -5.269 -1.989 1.00 8.00 C ATOM 107 O3' DT A 4 6.594 -5.936 -2.856 1.00 8.00 O ATOM 108 C2' DT A 4 6.758 -4.093 -1.380 1.00 8.00 C ATOM 109 C1' DT A 4 5.986 -4.840 -0.307 1.00 8.00 C ATOM 110 N1 DT A 4 5.273 -3.934 0.605 1.00 8.00 N ATOM 111 C2 DT A 4 3.884 -3.821 0.536 1.00 8.00 C ATOM 112 O2 DT A 4 3.200 -4.344 -0.337 1.00 8.00 O ATOM 113 N3 DT A 4 3.287 -3.078 1.533 1.00 8.00 N ATOM 114 C4 DT A 4 3.946 -2.468 2.581 1.00 8.00 C ATOM 115 O4 DT A 4 3.281 -1.861 3.413 1.00 8.00 O ATOM 116 C5 DT A 4 5.401 -2.607 2.563 1.00 8.00 C ATOM 117 C7 DT A 4 6.218 -1.996 3.680 1.00 8.00 C ATOM 118 C6 DT A 4 6.008 -3.295 1.557 1.00 8.00 C ATOM 0 H5' DT A 4 9.425 -6.855 0.456 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.744 -6.807 -1.266 1.00 8.00 H new ATOM 0 H4' DT A 4 7.462 -7.114 -0.847 1.00 8.00 H new ATOM 0 H3' DT A 4 8.391 -5.055 -2.578 1.00 8.00 H new ATOM 0 H2' DT A 4 7.428 -3.338 -0.970 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.108 -3.588 -2.094 1.00 8.00 H new ATOM 0 H1' DT A 4 5.195 -5.484 -0.692 1.00 8.00 H new ATOM 0 H3 DT A 4 2.274 -2.970 1.492 1.00 8.00 H new ATOM 0 H71 DT A 4 5.707 -1.113 4.063 1.00 8.00 H new ATOM 0 H72 DT A 4 6.338 -2.723 4.483 1.00 8.00 H new ATOM 0 H73 DT A 4 7.199 -1.711 3.299 1.00 8.00 H new ATOM 0 H6 DT A 4 7.086 -3.335 1.513 1.00 8.00 H new ATOM 131 P DG A 5 7.073 -7.095 -3.867 1.00 8.00 P ATOM 132 OP1 DG A 5 7.321 -8.318 -3.076 1.00 8.00 O ATOM 133 OP2 DG A 5 8.138 -6.532 -4.722 1.00 8.00 O ATOM 134 O5' DG A 5 5.760 -7.319 -4.771 1.00 8.00 O ATOM 135 C5' DG A 5 5.409 -6.388 -5.776 1.00 8.00 C ATOM 136 C4' DG A 5 3.964 -6.598 -6.230 1.00 8.00 C ATOM 137 O4' DG A 5 3.074 -6.149 -5.216 1.00 8.00 O ATOM 138 C3' DG A 5 3.652 -5.776 -7.491 1.00 8.00 C ATOM 139 O3' DG A 5 2.827 -6.569 -8.333 1.00 8.00 O ATOM 140 C2' DG A 5 2.889 -4.597 -6.902 1.00 8.00 C ATOM 141 C1' DG A 5 2.098 -5.354 -5.846 1.00 8.00 C ATOM 142 N9 DG A 5 1.345 -4.526 -4.886 1.00 8.00 N ATOM 143 C8 DG A 5 -0.001 -4.626 -4.638 1.00 8.00 C ATOM 144 N7 DG A 5 -0.460 -3.842 -3.705 1.00 8.00 N ATOM 145 C5 DG A 5 0.706 -3.194 -3.299 1.00 8.00 C ATOM 146 C6 DG A 5 0.874 -2.240 -2.233 1.00 8.00 C ATOM 147 O6 DG A 5 0.015 -1.764 -1.486 1.00 8.00 O ATOM 148 N1 DG A 5 2.180 -1.814 -2.059 1.00 8.00 N ATOM 149 C2 DG A 5 3.217 -2.229 -2.837 1.00 8.00 C ATOM 150 N2 DG A 5 4.411 -1.742 -2.552 1.00 8.00 N ATOM 151 N3 DG A 5 3.099 -3.106 -3.841 1.00 8.00 N ATOM 152 C4 DG A 5 1.818 -3.572 -4.012 1.00 8.00 C ATOM 0 H5' DG A 5 6.081 -6.494 -6.627 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.532 -5.373 -5.397 1.00 8.00 H new ATOM 0 H4' DG A 5 3.839 -7.661 -6.434 1.00 8.00 H new ATOM 0 H3' DG A 5 4.508 -5.465 -8.090 1.00 8.00 H new ATOM 0 H2' DG A 5 3.545 -3.837 -6.477 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.252 -4.097 -7.632 1.00 8.00 H new ATOM 0 H1' DG A 5 1.291 -5.922 -6.310 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.637 -5.309 -5.181 1.00 8.00 H new ATOM 0 H1 DG A 5 2.376 -1.153 -1.307 1.00 8.00 H new ATOM 0 H21 DG A 5 5.221 -2.022 -3.105 1.00 8.00 H new ATOM 0 H22 DG A 5 4.523 -1.086 -1.779 1.00 8.00 H new ATOM 164 P DG A 6 2.382 -6.108 -9.816 1.00 8.00 P ATOM 165 OP1 DG A 6 1.857 -7.301 -10.510 1.00 8.00 O ATOM 166 OP2 DG A 6 3.493 -5.331 -10.401 1.00 8.00 O ATOM 167 O5' DG A 6 1.148 -5.104 -9.552 1.00 8.00 O ATOM 168 C5' DG A 6 -0.090 -5.570 -9.050 1.00 8.00 C ATOM 169 C4' DG A 6 -0.999 -4.422 -8.610 1.00 8.00 C ATOM 170 O4' DG A 6 -0.455 -3.751 -7.481 1.00 8.00 O ATOM 171 C3' DG A 6 -1.264 -3.366 -9.697 1.00 8.00 C ATOM 172 O3' DG A 6 -2.673 -3.240 -9.818 1.00 8.00 O ATOM 173 C2' DG A 6 -0.596 -2.126 -9.109 1.00 8.00 C ATOM 174 C1' DG A 6 -0.845 -2.405 -7.624 1.00 8.00 C ATOM 175 N9 DG A 6 -0.162 -1.505 -6.670 1.00 8.00 N ATOM 176 C8 DG A 6 1.165 -1.134 -6.576 1.00 8.00 C ATOM 177 N7 DG A 6 1.458 -0.396 -5.544 1.00 8.00 N ATOM 178 C5 DG A 6 0.212 -0.226 -4.954 1.00 8.00 C ATOM 179 C6 DG A 6 -0.125 0.506 -3.764 1.00 8.00 C ATOM 180 O6 DG A 6 0.632 1.097 -2.989 1.00 8.00 O ATOM 181 N1 DG A 6 -1.479 0.517 -3.478 1.00 8.00 N ATOM 182 C2 DG A 6 -2.413 -0.146 -4.212 1.00 8.00 C ATOM 183 N2 DG A 6 -3.654 -0.109 -3.762 1.00 8.00 N ATOM 184 N3 DG A 6 -2.129 -0.868 -5.307 1.00 8.00 N ATOM 185 C4 DG A 6 -0.794 -0.859 -5.633 1.00 8.00 C ATOM 0 H5' DG A 6 0.089 -6.235 -8.205 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.594 -6.158 -9.817 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.948 -4.903 -8.374 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.884 -3.579 -10.696 1.00 8.00 H new ATOM 0 H2' DG A 6 0.464 -2.062 -9.354 1.00 8.00 H new ATOM 0 H2'' DG A 6 -1.058 -1.198 -9.447 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.887 -2.215 -7.366 1.00 8.00 H new ATOM 0 H8 DG A 6 1.904 -1.434 -7.304 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.795 1.053 -2.670 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.396 -0.589 -4.272 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.871 0.399 -2.904 1.00 8.00 H new ATOM 197 P DT A 7 -3.373 -2.193 -10.818 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.738 -2.677 -11.101 1.00 8.00 O ATOM 199 OP2 DT A 7 -2.445 -1.885 -11.924 1.00 8.00 O ATOM 200 O5' DT A 7 -3.491 -0.922 -9.845 1.00 8.00 O ATOM 201 C5' DT A 7 -3.795 0.382 -10.311 1.00 8.00 C ATOM 202 C4' DT A 7 -4.655 1.155 -9.300 1.00 8.00 C ATOM 203 O4' DT A 7 -5.908 0.492 -9.220 1.00 8.00 O ATOM 204 C3' DT A 7 -4.076 1.231 -7.876 1.00 8.00 C ATOM 205 O3' DT A 7 -4.526 2.382 -7.185 1.00 8.00 O ATOM 206 C2' DT A 7 -4.746 0.063 -7.181 1.00 8.00 C ATOM 207 C1' DT A 7 -6.118 0.107 -7.879 1.00 8.00 C ATOM 208 N1 DT A 7 -6.849 -1.179 -7.846 1.00 8.00 N ATOM 209 C2 DT A 7 -8.225 -1.117 -7.615 1.00 8.00 C ATOM 210 O2 DT A 7 -8.875 -0.077 -7.579 1.00 8.00 O ATOM 211 N3 DT A 7 -8.867 -2.317 -7.411 1.00 8.00 N ATOM 212 C4 DT A 7 -8.286 -3.568 -7.492 1.00 8.00 C ATOM 213 O4 DT A 7 -8.987 -4.551 -7.286 1.00 8.00 O ATOM 214 C5 DT A 7 -6.866 -3.560 -7.838 1.00 8.00 C ATOM 215 C7 DT A 7 -6.104 -4.854 -8.005 1.00 8.00 C ATOM 216 C6 DT A 7 -6.206 -2.389 -8.013 1.00 8.00 C ATOM 0 H5' DT A 7 -4.322 0.316 -11.263 1.00 8.00 H new ATOM 0 H5'' DT A 7 -2.870 0.928 -10.496 1.00 8.00 H new ATOM 0 H4' DT A 7 -4.715 2.182 -9.661 1.00 8.00 H new ATOM 0 H3' DT A 7 -2.986 1.238 -7.897 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.222 -0.879 -7.345 1.00 8.00 H new ATOM 0 H2'' DT A 7 -4.820 0.203 -6.103 1.00 8.00 H new ATOM 0 H1' DT A 7 -6.740 0.819 -7.337 1.00 8.00 H new ATOM 0 H3 DT A 7 -9.860 -2.280 -7.179 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.303 -4.714 -8.731 1.00 8.00 H new ATOM 0 H72 DT A 7 -5.677 -5.151 -7.047 1.00 8.00 H new ATOM 0 H73 DT A 7 -6.781 -5.632 -8.358 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.161 -2.403 -8.287 1.00 8.00 H new ATOM 229 P DG A 8 -3.866 3.837 -7.370 1.00 8.00 P ATOM 230 OP1 DG A 8 -4.967 4.816 -7.402 1.00 8.00 O ATOM 231 OP2 DG A 8 -2.902 3.764 -8.487 1.00 8.00 O ATOM 232 O5' DG A 8 -3.031 4.037 -6.008 1.00 8.00 O ATOM 233 C5' DG A 8 -3.596 3.744 -4.742 1.00 8.00 C ATOM 234 C4' DG A 8 -2.787 4.329 -3.583 1.00 8.00 C ATOM 235 O4' DG A 8 -1.599 3.586 -3.339 1.00 8.00 O ATOM 236 C3' DG A 8 -2.418 5.797 -3.800 1.00 8.00 C ATOM 237 O3' DG A 8 -2.834 6.583 -2.697 1.00 8.00 O ATOM 238 C2' DG A 8 -0.905 5.790 -3.952 1.00 8.00 C ATOM 239 C1' DG A 8 -0.447 4.376 -3.590 1.00 8.00 C ATOM 240 N9 DG A 8 0.326 3.809 -4.713 1.00 8.00 N ATOM 241 C8 DG A 8 -0.147 3.071 -5.764 1.00 8.00 C ATOM 242 N7 DG A 8 0.744 2.785 -6.667 1.00 8.00 N ATOM 243 C5 DG A 8 1.903 3.391 -6.188 1.00 8.00 C ATOM 244 C6 DG A 8 3.227 3.443 -6.734 1.00 8.00 C ATOM 245 O6 DG A 8 3.665 2.956 -7.772 1.00 8.00 O ATOM 246 N1 DG A 8 4.120 4.138 -5.938 1.00 8.00 N ATOM 247 C2 DG A 8 3.788 4.714 -4.746 1.00 8.00 C ATOM 248 N2 DG A 8 4.763 5.279 -4.066 1.00 8.00 N ATOM 249 N3 DG A 8 2.566 4.689 -4.208 1.00 8.00 N ATOM 250 C4 DG A 8 1.661 4.011 -4.980 1.00 8.00 C ATOM 0 H5' DG A 8 -3.666 2.663 -4.622 1.00 8.00 H new ATOM 0 H5'' DG A 8 -4.613 4.135 -4.703 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.441 4.263 -2.714 1.00 8.00 H new ATOM 0 H3' DG A 8 -2.907 6.232 -4.672 1.00 8.00 H new ATOM 0 H2' DG A 8 -0.615 6.044 -4.971 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.444 6.528 -3.296 1.00 8.00 H new ATOM 0 H1' DG A 8 0.188 4.394 -2.704 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.176 2.752 -5.837 1.00 8.00 H new ATOM 0 H1 DG A 8 5.084 4.225 -6.261 1.00 8.00 H new ATOM 0 H21 DG A 8 4.568 5.724 -3.169 1.00 8.00 H new ATOM 0 H22 DG A 8 5.713 5.272 -4.436 1.00 8.00 H new ATOM 262 P DT A 9 -4.137 7.524 -2.820 1.00 8.00 P ATOM 263 OP1 DT A 9 -5.088 6.876 -3.746 1.00 8.00 O ATOM 264 OP2 DT A 9 -3.676 8.903 -3.072 1.00 8.00 O ATOM 265 O5' DT A 9 -4.767 7.460 -1.346 1.00 8.00 O ATOM 266 C5' DT A 9 -5.726 6.477 -0.996 1.00 8.00 C ATOM 267 C4' DT A 9 -6.104 6.557 0.482 1.00 8.00 C ATOM 268 O4' DT A 9 -4.941 6.227 1.217 1.00 8.00 O ATOM 269 C3' DT A 9 -6.589 7.933 0.966 1.00 8.00 C ATOM 270 O3' DT A 9 -7.534 7.809 2.016 1.00 8.00 O ATOM 271 C2' DT A 9 -5.321 8.526 1.549 1.00 8.00 C ATOM 272 C1' DT A 9 -4.621 7.286 2.095 1.00 8.00 C ATOM 273 N1 DT A 9 -3.160 7.545 2.155 1.00 8.00 N ATOM 274 C2 DT A 9 -2.695 8.307 3.234 1.00 8.00 C ATOM 275 O2 DT A 9 -3.395 8.662 4.182 1.00 8.00 O ATOM 276 N3 DT A 9 -1.360 8.651 3.206 1.00 8.00 N ATOM 277 C4 DT A 9 -0.441 8.226 2.253 1.00 8.00 C ATOM 278 O4 DT A 9 0.727 8.557 2.412 1.00 8.00 O ATOM 279 C5 DT A 9 -0.988 7.431 1.150 1.00 8.00 C ATOM 280 C7 DT A 9 -0.127 6.989 -0.004 1.00 8.00 C ATOM 281 C6 DT A 9 -2.317 7.154 1.127 1.00 8.00 C ATOM 0 H5' DT A 9 -5.329 5.486 -1.217 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.619 6.606 -1.607 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.944 5.878 0.630 1.00 8.00 H new ATOM 0 H3' DT A 9 -7.064 8.512 0.174 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.722 9.035 0.793 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.532 9.255 2.332 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.942 7.030 3.105 1.00 8.00 H new ATOM 0 H3 DT A 9 -1.019 9.267 3.944 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.503 6.045 -0.398 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.154 7.745 -0.788 1.00 8.00 H new ATOM 0 H73 DT A 9 0.900 6.857 0.338 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.728 6.615 0.286 1.00 8.00 H new ATOM 294 P DG A 10 -9.122 7.870 1.749 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.387 8.959 0.788 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.790 7.861 3.068 1.00 8.00 O ATOM 297 O5' DG A 10 -9.433 6.470 1.025 1.00 8.00 O ATOM 298 C5' DG A 10 -9.489 5.265 1.759 1.00 8.00 C ATOM 299 C4' DG A 10 -9.636 4.075 0.814 1.00 8.00 C ATOM 300 O4' DG A 10 -8.409 3.809 0.139 1.00 8.00 O ATOM 301 C3' DG A 10 -9.992 2.784 1.578 1.00 8.00 C ATOM 302 O3' DG A 10 -11.057 2.127 0.906 1.00 8.00 O ATOM 303 C2' DG A 10 -8.698 1.984 1.452 1.00 8.00 C ATOM 304 C1' DG A 10 -8.307 2.405 0.048 1.00 8.00 C ATOM 305 N9 DG A 10 -6.959 1.930 -0.373 1.00 8.00 N ATOM 306 C8 DG A 10 -6.622 1.067 -1.406 1.00 8.00 C ATOM 307 N7 DG A 10 -5.354 1.015 -1.688 1.00 8.00 N ATOM 308 C5 DG A 10 -4.814 1.839 -0.712 1.00 8.00 C ATOM 309 C6 DG A 10 -3.432 2.155 -0.486 1.00 8.00 C ATOM 310 O6 DG A 10 -2.453 1.792 -1.142 1.00 8.00 O ATOM 311 N1 DG A 10 -3.218 2.950 0.630 1.00 8.00 N ATOM 312 C2 DG A 10 -4.199 3.323 1.498 1.00 8.00 C ATOM 313 N2 DG A 10 -3.820 3.922 2.617 1.00 8.00 N ATOM 314 N3 DG A 10 -5.498 3.060 1.303 1.00 8.00 N ATOM 315 C4 DG A 10 -5.750 2.329 0.163 1.00 8.00 C ATOM 0 H5' DG A 10 -10.329 5.293 2.453 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.585 5.153 2.357 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.428 4.342 0.115 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.314 2.930 2.609 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.955 2.262 2.199 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.855 0.909 1.543 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.937 1.968 -0.727 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.359 0.482 -1.936 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.268 3.275 0.812 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.519 4.220 3.298 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.830 4.085 2.798 1.00 8.00 H new ATOM 327 P DG A 11 -11.733 0.774 1.473 1.00 8.00 P ATOM 328 OP1 DG A 11 -13.059 0.643 0.837 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.601 0.803 2.942 1.00 8.00 O ATOM 330 O5' DG A 11 -10.776 -0.396 0.907 1.00 8.00 O ATOM 331 C5' DG A 11 -10.776 -0.779 -0.455 1.00 8.00 C ATOM 332 C4' DG A 11 -9.805 -1.936 -0.700 1.00 8.00 C ATOM 333 O4' DG A 11 -8.473 -1.473 -0.558 1.00 8.00 O ATOM 334 C3' DG A 11 -10.011 -3.107 0.271 1.00 8.00 C ATOM 335 O3' DG A 11 -10.214 -4.321 -0.425 1.00 8.00 O ATOM 336 C2' DG A 11 -8.683 -3.215 1.008 1.00 8.00 C ATOM 337 C1' DG A 11 -7.731 -2.509 0.045 1.00 8.00 C ATOM 338 N9 DG A 11 -6.479 -1.952 0.590 1.00 8.00 N ATOM 339 C8 DG A 11 -6.277 -1.201 1.723 1.00 8.00 C ATOM 340 N7 DG A 11 -5.080 -0.716 1.857 1.00 8.00 N ATOM 341 C5 DG A 11 -4.435 -1.233 0.741 1.00 8.00 C ATOM 342 C6 DG A 11 -3.056 -1.093 0.365 1.00 8.00 C ATOM 343 O6 DG A 11 -2.179 -0.421 0.923 1.00 8.00 O ATOM 344 N1 DG A 11 -2.711 -1.838 -0.754 1.00 8.00 N ATOM 345 C2 DG A 11 -3.587 -2.616 -1.455 1.00 8.00 C ATOM 346 N2 DG A 11 -3.092 -3.334 -2.452 1.00 8.00 N ATOM 347 N3 DG A 11 -4.890 -2.733 -1.148 1.00 8.00 N ATOM 348 C4 DG A 11 -5.251 -2.023 -0.027 1.00 8.00 C ATOM 0 H5' DG A 11 -10.497 0.072 -1.076 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.782 -1.075 -0.753 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.998 -2.298 -1.710 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.876 -2.940 0.913 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.715 -2.727 1.982 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.395 -4.252 1.181 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.374 -3.282 -0.635 1.00 8.00 H new ATOM 0 H8 DG A 11 -7.057 -1.027 2.449 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.743 -1.802 -1.073 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.707 -3.931 -3.005 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.096 -3.290 -2.667 1.00 8.00 H new ATOM 360 P DT A 12 -11.172 -5.466 0.179 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.852 -6.739 -0.498 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.555 -4.949 0.179 1.00 8.00 O ATOM 363 O5' DT A 12 -10.688 -5.592 1.713 1.00 8.00 O ATOM 364 C5' DT A 12 -11.623 -5.844 2.752 1.00 8.00 C ATOM 365 C4' DT A 12 -10.956 -6.035 4.115 1.00 8.00 C ATOM 366 O4' DT A 12 -10.074 -7.140 4.045 1.00 8.00 O ATOM 367 C3' DT A 12 -10.191 -4.796 4.597 1.00 8.00 C ATOM 368 O3' DT A 12 -10.534 -4.490 5.938 1.00 8.00 O ATOM 369 C2' DT A 12 -8.730 -5.217 4.549 1.00 8.00 C ATOM 370 C1' DT A 12 -8.788 -6.744 4.473 1.00 8.00 C ATOM 371 N1 DT A 12 -7.803 -7.337 3.542 1.00 8.00 N ATOM 372 C2 DT A 12 -7.069 -8.442 3.978 1.00 8.00 C ATOM 373 O2 DT A 12 -7.108 -8.876 5.123 1.00 8.00 O ATOM 374 N3 DT A 12 -6.266 -9.063 3.044 1.00 8.00 N ATOM 375 C4 DT A 12 -6.169 -8.722 1.714 1.00 8.00 C ATOM 376 O4 DT A 12 -5.457 -9.401 0.985 1.00 8.00 O ATOM 377 C5 DT A 12 -6.958 -7.556 1.333 1.00 8.00 C ATOM 378 C7 DT A 12 -6.935 -7.074 -0.092 1.00 8.00 C ATOM 379 C6 DT A 12 -7.721 -6.900 2.241 1.00 8.00 C ATOM 0 H5' DT A 12 -12.200 -6.735 2.507 1.00 8.00 H new ATOM 0 H5'' DT A 12 -12.327 -5.014 2.810 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.750 -6.211 4.840 1.00 8.00 H new ATOM 0 H3' DT A 12 -10.413 -3.918 3.990 1.00 8.00 H new ATOM 0 H2' DT A 12 -8.221 -4.793 3.684 1.00 8.00 H new ATOM 0 H2'' DT A 12 -8.189 -4.882 5.433 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.553 -7.103 5.475 1.00 8.00 H new ATOM 0 H3 DT A 12 -5.694 -9.843 3.367 1.00 8.00 H new ATOM 0 H71 DT A 12 -5.969 -7.308 -0.540 1.00 8.00 H new ATOM 0 H72 DT A 12 -7.726 -7.568 -0.656 1.00 8.00 H new ATOM 0 H73 DT A 12 -7.093 -5.996 -0.114 1.00 8.00 H new ATOM 0 H6 DT A 12 -8.272 -6.022 1.938 1.00 8.00 H new ATOM 392 P DT A 13 -10.403 -2.991 6.536 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.987 -3.006 7.893 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.922 -2.058 5.521 1.00 8.00 O ATOM 395 O5' DT A 13 -8.820 -2.699 6.677 1.00 8.00 O ATOM 396 C5' DT A 13 -8.059 -3.234 7.746 1.00 8.00 C ATOM 397 C4' DT A 13 -6.579 -2.847 7.647 1.00 8.00 C ATOM 398 O4' DT A 13 -5.984 -3.392 6.479 1.00 8.00 O ATOM 399 C3' DT A 13 -6.294 -1.326 7.659 1.00 8.00 C ATOM 400 O3' DT A 13 -5.223 -0.960 8.515 1.00 8.00 O ATOM 401 C2' DT A 13 -5.743 -1.153 6.257 1.00 8.00 C ATOM 402 C1' DT A 13 -4.990 -2.448 6.128 1.00 8.00 C ATOM 403 N1 DT A 13 -4.265 -2.679 4.861 1.00 8.00 N ATOM 404 C2 DT A 13 -2.913 -2.317 4.778 1.00 8.00 C ATOM 405 O2 DT A 13 -2.309 -1.688 5.649 1.00 8.00 O ATOM 406 N3 DT A 13 -2.241 -2.760 3.652 1.00 8.00 N ATOM 407 C4 DT A 13 -2.764 -3.645 2.709 1.00 8.00 C ATOM 408 O4 DT A 13 -2.010 -3.994 1.812 1.00 8.00 O ATOM 409 C5 DT A 13 -4.157 -4.079 2.917 1.00 8.00 C ATOM 410 C7 DT A 13 -4.834 -5.065 1.981 1.00 8.00 C ATOM 411 C6 DT A 13 -4.840 -3.533 3.958 1.00 8.00 C ATOM 0 H5' DT A 13 -8.150 -4.320 7.748 1.00 8.00 H new ATOM 0 H5'' DT A 13 -8.464 -2.878 8.693 1.00 8.00 H new ATOM 0 H4' DT A 13 -6.142 -3.266 8.553 1.00 8.00 H new ATOM 0 H3' DT A 13 -7.169 -0.754 7.967 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.528 -1.048 5.508 1.00 8.00 H new ATOM 0 H2'' DT A 13 -5.096 -0.281 6.165 1.00 8.00 H new ATOM 0 H1' DT A 13 -4.112 -2.495 6.773 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.294 -2.414 3.501 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.418 -4.960 0.979 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.666 -6.081 2.339 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.905 -4.863 1.952 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.883 -3.784 4.078 1.00 8.00 H new ATOM 424 P DG A 14 -5.451 -0.362 9.987 1.00 8.00 P ATOM 425 OP1 DG A 14 -5.328 -1.472 10.952 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.673 0.470 9.949 1.00 8.00 O ATOM 427 O5' DG A 14 -4.189 0.620 10.174 1.00 8.00 O ATOM 428 C5' DG A 14 -4.193 1.925 9.635 1.00 8.00 C ATOM 429 C4' DG A 14 -2.781 2.511 9.636 1.00 8.00 C ATOM 430 O4' DG A 14 -1.985 1.911 8.628 1.00 8.00 O ATOM 431 C3' DG A 14 -2.787 4.023 9.389 1.00 8.00 C ATOM 432 O3' DG A 14 -2.009 4.626 10.414 1.00 8.00 O ATOM 433 C2' DG A 14 -2.087 4.094 8.043 1.00 8.00 C ATOM 434 C1' DG A 14 -1.138 2.924 8.156 1.00 8.00 C ATOM 435 N9 DG A 14 -0.492 2.592 6.876 1.00 8.00 N ATOM 436 C8 DG A 14 0.816 2.837 6.574 1.00 8.00 C ATOM 437 N7 DG A 14 1.214 2.392 5.415 1.00 8.00 N ATOM 438 C5 DG A 14 0.035 1.853 4.901 1.00 8.00 C ATOM 439 C6 DG A 14 -0.197 1.234 3.618 1.00 8.00 C ATOM 440 O6 DG A 14 0.611 1.040 2.704 1.00 8.00 O ATOM 441 N1 DG A 14 -1.512 0.845 3.408 1.00 8.00 N ATOM 442 C2 DG A 14 -2.510 1.072 4.309 1.00 8.00 C ATOM 443 N2 DG A 14 -3.741 0.817 3.913 1.00 8.00 N ATOM 444 N3 DG A 14 -2.334 1.649 5.502 1.00 8.00 N ATOM 445 C4 DG A 14 -1.031 1.997 5.756 1.00 8.00 C ATOM 0 H5' DG A 14 -4.858 2.563 10.217 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.583 1.903 8.617 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.367 2.307 10.623 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.758 4.518 9.393 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.781 3.984 7.210 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.563 5.039 7.899 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.286 3.110 8.809 1.00 8.00 H new ATOM 0 H8 DG A 14 1.476 3.363 7.248 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.743 0.366 2.538 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.523 0.970 4.549 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.911 0.467 2.970 1.00 8.00 H new ATOM 457 P DG A 15 -1.873 6.221 10.613 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.261 6.453 11.936 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.173 6.837 10.276 1.00 8.00 O ATOM 460 O5' DG A 15 -0.807 6.672 9.486 1.00 8.00 O ATOM 461 C5' DG A 15 0.562 6.305 9.550 1.00 8.00 C ATOM 462 C4' DG A 15 1.344 6.759 8.309 1.00 8.00 C ATOM 463 O4' DG A 15 1.099 5.892 7.212 1.00 8.00 O ATOM 464 C3' DG A 15 1.017 8.192 7.857 1.00 8.00 C ATOM 465 O3' DG A 15 2.204 8.932 7.649 1.00 8.00 O ATOM 466 C2' DG A 15 0.348 7.991 6.507 1.00 8.00 C ATOM 467 C1' DG A 15 1.016 6.695 6.053 1.00 8.00 C ATOM 468 N9 DG A 15 0.332 5.955 4.990 1.00 8.00 N ATOM 469 C8 DG A 15 -1.000 5.689 4.861 1.00 8.00 C ATOM 470 N7 DG A 15 -1.339 5.007 3.802 1.00 8.00 N ATOM 471 C5 DG A 15 -0.094 4.820 3.198 1.00 8.00 C ATOM 472 C6 DG A 15 0.234 4.138 1.975 1.00 8.00 C ATOM 473 O6 DG A 15 -0.530 3.564 1.195 1.00 8.00 O ATOM 474 N1 DG A 15 1.588 4.165 1.657 1.00 8.00 N ATOM 475 C2 DG A 15 2.536 4.768 2.431 1.00 8.00 C ATOM 476 N2 DG A 15 3.790 4.769 2.012 1.00 8.00 N ATOM 477 N3 DG A 15 2.265 5.393 3.579 1.00 8.00 N ATOM 478 C4 DG A 15 0.934 5.386 3.902 1.00 8.00 C ATOM 0 H5' DG A 15 0.642 5.223 9.651 1.00 8.00 H new ATOM 0 H5'' DG A 15 1.012 6.743 10.441 1.00 8.00 H new ATOM 0 H4' DG A 15 2.391 6.729 8.611 1.00 8.00 H new ATOM 0 H3' DG A 15 0.412 8.726 8.590 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.734 7.892 6.592 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.540 8.817 5.823 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.977 9.840 7.360 1.00 8.00 H new ATOM 0 H1' DG A 15 1.977 6.951 5.607 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.726 6.021 5.588 1.00 8.00 H new ATOM 0 H1 DG A 15 1.889 3.708 0.796 1.00 8.00 H new ATOM 0 H21 DG A 15 4.515 5.214 2.574 1.00 8.00 H new ATOM 0 H22 DG A 15 4.032 4.325 1.126 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.919 8.289 0.217 1.00 8.00 C HETATM 493 C5 1CF A 101 4.579 7.628 -1.154 1.00 8.00 C HETATM 494 C6 1CF A 101 3.311 6.777 -1.144 1.00 8.00 C HETATM 495 C11 1CF A 101 9.016 6.652 -4.254 1.00 8.00 C HETATM 496 C12 1CF A 101 9.112 6.953 -2.761 1.00 8.00 C HETATM 497 C3 1CF A 101 6.307 8.957 0.205 1.00 8.00 C HETATM 498 O11 1CF A 101 10.246 6.083 -4.640 1.00 8.00 O HETATM 499 C1 1CF A 101 7.034 7.377 -1.617 1.00 8.00 C HETATM 500 C2 1CF A 101 7.377 7.924 -0.214 1.00 8.00 C HETATM 501 O2 1CF A 101 8.710 8.490 -0.156 1.00 8.00 O HETATM 502 O3 1CF A 101 6.578 9.430 1.548 1.00 8.00 O HETATM 503 O4 1CF A 101 4.972 7.374 1.350 1.00 8.00 O HETATM 504 O5 1CF A 101 5.692 6.748 -1.555 1.00 8.00 O HETATM 505 O1 1CF A 101 8.037 6.389 -2.035 1.00 8.00 O