USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -28:sc= 0.00178 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.265 (180deg=-0.265) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.254 (180deg=-0.254) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.569 12.965 24.336 1.00 0.00 O ATOM 2 C5' DG A 1 5.331 11.592 24.561 1.00 0.00 C ATOM 3 C4' DG A 1 3.995 11.185 23.928 1.00 0.00 C ATOM 4 O4' DG A 1 4.068 11.365 22.518 1.00 0.00 O ATOM 5 C3' DG A 1 3.657 9.714 24.201 1.00 0.00 C ATOM 6 O3' DG A 1 2.253 9.546 24.297 1.00 0.00 O ATOM 7 C2' DG A 1 4.240 9.095 22.941 1.00 0.00 C ATOM 8 C1' DG A 1 3.820 10.120 21.897 1.00 0.00 C ATOM 9 N9 DG A 1 4.577 9.974 20.627 1.00 0.00 N ATOM 10 C8 DG A 1 5.939 9.976 20.418 1.00 0.00 C ATOM 11 N7 DG A 1 6.287 9.853 19.168 1.00 0.00 N ATOM 12 C5 DG A 1 5.079 9.775 18.488 1.00 0.00 C ATOM 13 C6 DG A 1 4.824 9.666 17.087 1.00 0.00 C ATOM 14 O6 DG A 1 5.644 9.611 16.174 1.00 0.00 O ATOM 15 N1 DG A 1 3.462 9.626 16.797 1.00 0.00 N ATOM 16 C2 DG A 1 2.459 9.698 17.747 1.00 0.00 C ATOM 17 N2 DG A 1 1.196 9.638 17.313 1.00 0.00 N ATOM 18 N3 DG A 1 2.700 9.820 19.063 1.00 0.00 N ATOM 19 C4 DG A 1 4.026 9.853 19.369 1.00 0.00 C ATOM 0 H5' DG A 1 5.314 11.387 25.631 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.141 10.999 24.136 1.00 0.00 H new ATOM 0 H4' DG A 1 3.220 11.811 24.369 1.00 0.00 H new ATOM 0 H3' DG A 1 4.039 9.286 25.128 1.00 0.00 H new ATOM 0 H2' DG A 1 5.323 8.984 22.998 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.828 8.106 22.738 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.122 13.243 23.510 1.00 0.00 H new ATOM 0 H1' DG A 1 2.777 10.001 21.603 1.00 0.00 H new ATOM 0 H8 DG A 1 6.656 10.071 21.220 1.00 0.00 H new ATOM 0 H1 DG A 1 3.186 9.538 15.819 1.00 0.00 H new ATOM 0 H21 DG A 1 0.425 9.687 17.979 1.00 0.00 H new ATOM 0 H22 DG A 1 1.003 9.543 16.316 1.00 0.00 H new ATOM 32 P DC A 2 1.567 8.104 24.555 1.00 0.00 P ATOM 33 OP1 DC A 2 0.539 8.268 25.606 1.00 0.00 O ATOM 34 OP2 DC A 2 2.632 7.090 24.727 1.00 0.00 O ATOM 35 O5' DC A 2 0.821 7.816 23.151 1.00 0.00 O ATOM 36 C5' DC A 2 -0.312 8.570 22.768 1.00 0.00 C ATOM 37 C4' DC A 2 -1.078 8.020 21.567 1.00 0.00 C ATOM 38 O4' DC A 2 -0.326 8.134 20.371 1.00 0.00 O ATOM 39 C3' DC A 2 -1.424 6.550 21.806 1.00 0.00 C ATOM 40 O3' DC A 2 -2.740 6.299 21.341 1.00 0.00 O ATOM 41 C2' DC A 2 -0.325 5.887 21.011 1.00 0.00 C ATOM 42 C1' DC A 2 -0.144 6.840 19.834 1.00 0.00 C ATOM 43 N1 DC A 2 1.222 6.725 19.277 1.00 0.00 N ATOM 44 C2 DC A 2 1.426 6.511 17.913 1.00 0.00 C ATOM 45 O2 DC A 2 0.489 6.476 17.119 1.00 0.00 O ATOM 46 N3 DC A 2 2.708 6.342 17.472 1.00 0.00 N ATOM 47 C4 DC A 2 3.745 6.353 18.326 1.00 0.00 C ATOM 48 N4 DC A 2 4.984 6.225 17.843 1.00 0.00 N ATOM 49 C5 DC A 2 3.541 6.594 19.725 1.00 0.00 C ATOM 50 C6 DC A 2 2.283 6.802 20.135 1.00 0.00 C ATOM 0 H5' DC A 2 0.007 9.587 22.541 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.993 8.631 23.617 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.989 8.608 21.455 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.451 6.198 22.837 1.00 0.00 H new ATOM 0 H2' DC A 2 0.591 5.784 21.593 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.609 4.887 20.683 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.845 6.619 19.029 1.00 0.00 H new ATOM 0 H41 DC A 2 5.782 6.231 18.478 1.00 0.00 H new ATOM 0 H42 DC A 2 5.132 6.121 16.839 1.00 0.00 H new ATOM 0 H5 DC A 2 4.368 6.607 20.420 1.00 0.00 H new ATOM 0 H6 DC A 2 2.102 7.037 21.173 1.00 0.00 H new ATOM 62 P DG A 3 -3.353 4.813 21.175 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.815 4.891 21.391 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.542 3.862 21.967 1.00 0.00 O ATOM 65 O5' DG A 3 -3.084 4.544 19.605 1.00 0.00 O ATOM 66 C5' DG A 3 -3.754 5.322 18.630 1.00 0.00 C ATOM 67 C4' DG A 3 -3.550 4.822 17.210 1.00 0.00 C ATOM 68 O4' DG A 3 -2.189 4.871 16.824 1.00 0.00 O ATOM 69 C3' DG A 3 -4.079 3.391 17.125 1.00 0.00 C ATOM 70 O3' DG A 3 -5.104 3.294 16.151 1.00 0.00 O ATOM 71 C2' DG A 3 -2.802 2.635 16.809 1.00 0.00 C ATOM 72 C1' DG A 3 -1.849 3.653 16.197 1.00 0.00 C ATOM 73 N9 DG A 3 -0.430 3.359 16.494 1.00 0.00 N ATOM 74 C8 DG A 3 0.165 3.222 17.721 1.00 0.00 C ATOM 75 N7 DG A 3 1.467 3.259 17.697 1.00 0.00 N ATOM 76 C5 DG A 3 1.761 3.399 16.347 1.00 0.00 C ATOM 77 C6 DG A 3 3.019 3.551 15.697 1.00 0.00 C ATOM 78 O6 DG A 3 4.120 3.713 16.218 1.00 0.00 O ATOM 79 N1 DG A 3 2.904 3.501 14.310 1.00 0.00 N ATOM 80 C2 DG A 3 1.705 3.418 13.626 1.00 0.00 C ATOM 81 N2 DG A 3 1.756 3.391 12.291 1.00 0.00 N ATOM 82 N3 DG A 3 0.513 3.397 14.240 1.00 0.00 N ATOM 83 C4 DG A 3 0.609 3.378 15.597 1.00 0.00 C ATOM 0 H5' DG A 3 -3.406 6.353 18.697 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.821 5.331 18.854 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.095 5.470 16.524 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.571 2.999 18.015 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.376 2.195 17.711 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.995 1.816 16.116 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.945 3.657 15.111 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.399 3.094 18.633 1.00 0.00 H new ATOM 0 H1 DG A 3 3.763 3.527 13.761 1.00 0.00 H new ATOM 0 H21 DG A 3 0.894 3.330 11.749 1.00 0.00 H new ATOM 0 H22 DG A 3 2.657 3.431 11.814 1.00 0.00 H new ATOM 95 P DT A 4 -5.830 1.892 15.790 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.076 2.191 15.051 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.872 1.045 17.003 1.00 0.00 O ATOM 98 O5' DT A 4 -4.767 1.259 14.759 1.00 0.00 O ATOM 99 C5' DT A 4 -4.405 1.977 13.601 1.00 0.00 C ATOM 100 C4' DT A 4 -3.207 1.395 12.857 1.00 0.00 C ATOM 101 O4' DT A 4 -2.041 1.543 13.637 1.00 0.00 O ATOM 102 C3' DT A 4 -3.359 -0.088 12.491 1.00 0.00 C ATOM 103 O3' DT A 4 -3.396 -0.217 11.081 1.00 0.00 O ATOM 104 C2' DT A 4 -2.124 -0.700 13.151 1.00 0.00 C ATOM 105 C1' DT A 4 -1.180 0.491 13.281 1.00 0.00 C ATOM 106 N1 DT A 4 -0.171 0.248 14.335 1.00 0.00 N ATOM 107 C2 DT A 4 1.186 0.210 14.012 1.00 0.00 C ATOM 108 O2 DT A 4 1.610 0.233 12.859 1.00 0.00 O ATOM 109 N3 DT A 4 2.062 0.144 15.087 1.00 0.00 N ATOM 110 C4 DT A 4 1.704 0.062 16.427 1.00 0.00 C ATOM 111 O4 DT A 4 2.571 0.032 17.295 1.00 0.00 O ATOM 112 C5 DT A 4 0.271 0.021 16.660 1.00 0.00 C ATOM 113 C7 DT A 4 -0.278 -0.122 18.060 1.00 0.00 C ATOM 114 C6 DT A 4 -0.597 0.119 15.628 1.00 0.00 C ATOM 0 H5' DT A 4 -4.181 3.007 13.880 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.259 2.009 12.924 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.140 1.953 11.923 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.272 -0.580 12.828 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.359 -1.136 14.122 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.692 -1.493 12.541 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.613 0.694 12.372 1.00 0.00 H new ATOM 0 H3 DT A 4 3.059 0.157 14.874 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.246 0.376 18.124 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.397 -1.179 18.298 1.00 0.00 H new ATOM 0 H73 DT A 4 0.412 0.334 18.770 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.658 0.095 15.831 1.00 0.00 H new ATOM 127 P DA A 5 -3.503 -1.648 10.344 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.166 -1.448 9.037 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.042 -2.639 11.302 1.00 0.00 O ATOM 130 O5' DA A 5 -1.952 -1.989 10.080 1.00 0.00 O ATOM 131 C5' DA A 5 -1.172 -1.200 9.202 1.00 0.00 C ATOM 132 C4' DA A 5 0.238 -1.778 9.088 1.00 0.00 C ATOM 133 O4' DA A 5 0.920 -1.677 10.327 1.00 0.00 O ATOM 134 C3' DA A 5 0.229 -3.257 8.667 1.00 0.00 C ATOM 135 O3' DA A 5 0.988 -3.376 7.478 1.00 0.00 O ATOM 136 C2' DA A 5 0.824 -3.942 9.901 1.00 0.00 C ATOM 137 C1' DA A 5 1.706 -2.838 10.493 1.00 0.00 C ATOM 138 N9 DA A 5 1.986 -3.041 11.931 1.00 0.00 N ATOM 139 C8 DA A 5 1.057 -3.259 12.905 1.00 0.00 C ATOM 140 N7 DA A 5 1.498 -3.144 14.125 1.00 0.00 N ATOM 141 C5 DA A 5 2.849 -2.878 13.945 1.00 0.00 C ATOM 142 C6 DA A 5 3.902 -2.646 14.853 1.00 0.00 C ATOM 143 N6 DA A 5 3.702 -2.549 16.171 1.00 0.00 N ATOM 144 N1 DA A 5 5.148 -2.493 14.367 1.00 0.00 N ATOM 145 C2 DA A 5 5.333 -2.538 13.050 1.00 0.00 C ATOM 146 N3 DA A 5 4.421 -2.690 12.089 1.00 0.00 N ATOM 147 C4 DA A 5 3.174 -2.862 12.609 1.00 0.00 C ATOM 0 H5' DA A 5 -1.124 -0.174 9.568 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.640 -1.166 8.218 1.00 0.00 H new ATOM 0 H4' DA A 5 0.747 -1.195 8.320 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.734 -3.703 8.419 1.00 0.00 H new ATOM 0 H2' DA A 5 0.052 -4.264 10.600 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.403 -4.827 9.636 1.00 0.00 H new ATOM 0 H1' DA A 5 2.682 -2.801 10.009 1.00 0.00 H new ATOM 0 H8 DA A 5 0.030 -3.509 12.681 1.00 0.00 H new ATOM 0 H61 DA A 5 4.491 -2.381 16.795 1.00 0.00 H new ATOM 0 H62 DA A 5 2.761 -2.643 16.552 1.00 0.00 H new ATOM 0 H2 DA A 5 6.355 -2.438 12.716 1.00 0.00 H new ATOM 159 P DC A 6 1.274 -4.790 6.758 1.00 0.00 P ATOM 160 OP1 DC A 6 1.617 -4.531 5.342 1.00 0.00 O ATOM 161 OP2 DC A 6 0.185 -5.732 7.097 1.00 0.00 O ATOM 162 O5' DC A 6 2.608 -5.250 7.527 1.00 0.00 O ATOM 163 C5' DC A 6 3.774 -4.451 7.496 1.00 0.00 C ATOM 164 C4' DC A 6 4.819 -5.021 8.450 1.00 0.00 C ATOM 165 O4' DC A 6 4.336 -4.877 9.767 1.00 0.00 O ATOM 166 C3' DC A 6 5.179 -6.497 8.262 1.00 0.00 C ATOM 167 O3' DC A 6 6.387 -6.660 7.536 1.00 0.00 O ATOM 168 C2' DC A 6 5.246 -7.017 9.696 1.00 0.00 C ATOM 169 C1' DC A 6 5.060 -5.781 10.559 1.00 0.00 C ATOM 170 N1 DC A 6 4.340 -6.070 11.825 1.00 0.00 N ATOM 171 C2 DC A 6 5.010 -5.900 13.034 1.00 0.00 C ATOM 172 O2 DC A 6 6.224 -5.724 13.077 1.00 0.00 O ATOM 173 N3 DC A 6 4.286 -5.931 14.185 1.00 0.00 N ATOM 174 C4 DC A 6 2.965 -6.156 14.176 1.00 0.00 C ATOM 175 N4 DC A 6 2.308 -6.110 15.338 1.00 0.00 N ATOM 176 C5 DC A 6 2.262 -6.392 12.945 1.00 0.00 C ATOM 177 C6 DC A 6 2.994 -6.345 11.808 1.00 0.00 C ATOM 0 H5' DC A 6 3.531 -3.427 7.779 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.174 -4.416 6.483 1.00 0.00 H new ATOM 0 H4' DC A 6 5.729 -4.460 8.237 1.00 0.00 H new ATOM 0 H3' DC A 6 4.458 -7.052 7.661 1.00 0.00 H new ATOM 0 H2' DC A 6 4.467 -7.755 9.887 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.201 -7.502 9.898 1.00 0.00 H new ATOM 0 H1' DC A 6 6.026 -5.381 10.867 1.00 0.00 H new ATOM 0 H41 DC A 6 1.302 -6.277 15.362 1.00 0.00 H new ATOM 0 H42 DC A 6 2.812 -5.908 16.201 1.00 0.00 H new ATOM 0 H5 DC A 6 1.202 -6.597 12.928 1.00 0.00 H new ATOM 0 H6 DC A 6 2.507 -6.529 10.862 1.00 0.00 H new ATOM 189 P DG A 7 7.022 -8.119 7.234 1.00 0.00 P ATOM 190 OP1 DG A 7 7.980 -7.981 6.114 1.00 0.00 O ATOM 191 OP2 DG A 7 5.921 -9.104 7.142 1.00 0.00 O ATOM 192 O5' DG A 7 7.861 -8.425 8.580 1.00 0.00 O ATOM 193 C5' DG A 7 8.955 -7.608 8.948 1.00 0.00 C ATOM 194 C4' DG A 7 9.584 -8.010 10.283 1.00 0.00 C ATOM 195 O4' DG A 7 8.690 -7.756 11.356 1.00 0.00 O ATOM 196 C3' DG A 7 9.965 -9.497 10.305 1.00 0.00 C ATOM 197 O3' DG A 7 11.297 -9.651 10.763 1.00 0.00 O ATOM 198 C2' DG A 7 8.913 -10.046 11.258 1.00 0.00 C ATOM 199 C1' DG A 7 8.715 -8.878 12.213 1.00 0.00 C ATOM 200 N9 DG A 7 7.445 -8.991 12.962 1.00 0.00 N ATOM 201 C8 DG A 7 6.210 -9.330 12.474 1.00 0.00 C ATOM 202 N7 DG A 7 5.240 -9.213 13.336 1.00 0.00 N ATOM 203 C5 DG A 7 5.884 -8.810 14.501 1.00 0.00 C ATOM 204 C6 DG A 7 5.351 -8.558 15.800 1.00 0.00 C ATOM 205 O6 DG A 7 4.173 -8.544 16.141 1.00 0.00 O ATOM 206 N1 DG A 7 6.344 -8.306 16.743 1.00 0.00 N ATOM 207 C2 DG A 7 7.697 -8.273 16.462 1.00 0.00 C ATOM 208 N2 DG A 7 8.529 -8.055 17.485 1.00 0.00 N ATOM 209 N3 DG A 7 8.195 -8.455 15.229 1.00 0.00 N ATOM 210 C4 DG A 7 7.242 -8.724 14.296 1.00 0.00 C ATOM 0 H5' DG A 7 8.622 -6.572 9.008 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.714 -7.655 8.167 1.00 0.00 H new ATOM 0 H4' DG A 7 10.487 -7.410 10.400 1.00 0.00 H new ATOM 0 H3' DG A 7 9.964 -10.010 9.343 1.00 0.00 H new ATOM 0 H2' DG A 7 7.991 -10.311 10.740 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.257 -10.942 11.774 1.00 0.00 H new ATOM 0 H1' DG A 7 9.494 -8.826 12.973 1.00 0.00 H new ATOM 0 H8 DG A 7 6.054 -9.666 11.460 1.00 0.00 H new ATOM 0 H1 DG A 7 6.054 -8.134 17.706 1.00 0.00 H new ATOM 0 H21 DG A 7 9.536 -8.022 17.325 1.00 0.00 H new ATOM 0 H22 DG A 7 8.157 -7.921 18.425 1.00 0.00 H new ATOM 222 P DC A 8 11.986 -11.102 10.936 1.00 0.00 P ATOM 223 OP1 DC A 8 13.453 -10.935 10.845 1.00 0.00 O ATOM 224 OP2 DC A 8 11.297 -12.067 10.050 1.00 0.00 O ATOM 225 O5' DC A 8 11.606 -11.454 12.461 1.00 0.00 O ATOM 226 C5' DC A 8 12.237 -10.784 13.533 1.00 0.00 C ATOM 227 C4' DC A 8 11.597 -11.150 14.873 1.00 0.00 C ATOM 228 O4' DC A 8 10.242 -10.766 14.881 1.00 0.00 O ATOM 229 C3' DC A 8 11.584 -12.646 15.188 1.00 0.00 C ATOM 230 O3' DC A 8 12.792 -13.083 15.774 1.00 0.00 O ATOM 231 C2' DC A 8 10.408 -12.761 16.156 1.00 0.00 C ATOM 232 C1' DC A 8 9.623 -11.460 15.944 1.00 0.00 C ATOM 233 N1 DC A 8 8.194 -11.725 15.630 1.00 0.00 N ATOM 234 C2 DC A 8 7.234 -11.554 16.629 1.00 0.00 C ATOM 235 O2 DC A 8 7.549 -11.265 17.781 1.00 0.00 O ATOM 236 N3 DC A 8 5.921 -11.714 16.301 1.00 0.00 N ATOM 237 C4 DC A 8 5.548 -12.043 15.055 1.00 0.00 C ATOM 238 N4 DC A 8 4.242 -12.132 14.785 1.00 0.00 N ATOM 239 C5 DC A 8 6.522 -12.264 14.021 1.00 0.00 C ATOM 240 C6 DC A 8 7.821 -12.091 14.359 1.00 0.00 C ATOM 0 H5' DC A 8 12.173 -9.707 13.379 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.296 -11.041 13.552 1.00 0.00 H new ATOM 0 H4' DC A 8 12.210 -10.632 15.611 1.00 0.00 H new ATOM 0 H3' DC A 8 11.485 -13.271 14.301 1.00 0.00 H new ATOM 0 H2' DC A 8 9.796 -13.636 15.938 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.748 -12.858 17.187 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.737 -14.044 15.959 1.00 0.00 H new ATOM 0 H1' DC A 8 9.635 -10.867 16.859 1.00 0.00 H new ATOM 0 H41 DC A 8 3.931 -12.380 13.846 1.00 0.00 H new ATOM 0 H42 DC A 8 3.556 -11.952 15.518 1.00 0.00 H new ATOM 0 H5 DC A 8 6.231 -12.554 13.022 1.00 0.00 H new ATOM 0 H6 DC A 8 8.584 -12.245 13.610 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.723 -11.174 24.155 1.00 0.00 O ATOM 255 C5' DG B 1 -0.880 -11.791 25.104 1.00 0.00 C ATOM 256 C4' DG B 1 0.579 -11.355 24.921 1.00 0.00 C ATOM 257 O4' DG B 1 1.051 -11.752 23.640 1.00 0.00 O ATOM 258 C3' DG B 1 0.791 -9.841 25.074 1.00 0.00 C ATOM 259 O3' DG B 1 1.966 -9.590 25.828 1.00 0.00 O ATOM 260 C2' DG B 1 0.943 -9.455 23.612 1.00 0.00 C ATOM 261 C1' DG B 1 1.713 -10.647 23.064 1.00 0.00 C ATOM 262 N9 DG B 1 1.683 -10.696 21.580 1.00 0.00 N ATOM 263 C8 DG B 1 0.597 -10.764 20.733 1.00 0.00 C ATOM 264 N7 DG B 1 0.910 -10.827 19.469 1.00 0.00 N ATOM 265 C5 DG B 1 2.299 -10.809 19.465 1.00 0.00 C ATOM 266 C6 DG B 1 3.211 -10.891 18.369 1.00 0.00 C ATOM 267 O6 DG B 1 2.945 -10.992 17.174 1.00 0.00 O ATOM 268 N1 DG B 1 4.541 -10.847 18.780 1.00 0.00 N ATOM 269 C2 DG B 1 4.947 -10.752 20.100 1.00 0.00 C ATOM 270 N2 DG B 1 6.262 -10.711 20.336 1.00 0.00 N ATOM 271 N3 DG B 1 4.089 -10.697 21.131 1.00 0.00 N ATOM 272 C4 DG B 1 2.782 -10.730 20.750 1.00 0.00 C ATOM 0 H5' DG B 1 -0.953 -12.874 25.008 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.214 -11.537 26.110 1.00 0.00 H new ATOM 0 H4' DG B 1 1.140 -11.847 25.716 1.00 0.00 H new ATOM 0 H3' DG B 1 0.009 -9.292 25.599 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.021 -9.327 23.119 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.491 -8.521 23.489 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.646 -11.472 24.295 1.00 0.00 H new ATOM 0 H1' DG B 1 2.774 -10.612 23.310 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.424 -10.765 21.086 1.00 0.00 H new ATOM 0 H1 DG B 1 5.263 -10.887 18.061 1.00 0.00 H new ATOM 0 H21 DG B 1 6.606 -10.641 21.294 1.00 0.00 H new ATOM 0 H22 DG B 1 6.921 -10.750 19.558 1.00 0.00 H new ATOM 285 P DC B 2 2.494 -8.095 26.146 1.00 0.00 P ATOM 286 OP1 DC B 2 2.878 -8.040 27.574 1.00 0.00 O ATOM 287 OP2 DC B 2 1.518 -7.117 25.613 1.00 0.00 O ATOM 288 O5' DC B 2 3.837 -8.003 25.252 1.00 0.00 O ATOM 289 C5' DC B 2 4.981 -8.763 25.589 1.00 0.00 C ATOM 290 C4' DC B 2 6.256 -8.376 24.842 1.00 0.00 C ATOM 291 O4' DC B 2 6.176 -8.701 23.465 1.00 0.00 O ATOM 292 C3' DC B 2 6.503 -6.874 24.991 1.00 0.00 C ATOM 293 O3' DC B 2 7.888 -6.647 25.192 1.00 0.00 O ATOM 294 C2' DC B 2 5.958 -6.384 23.671 1.00 0.00 C ATOM 295 C1' DC B 2 6.333 -7.514 22.716 1.00 0.00 C ATOM 296 N1 DC B 2 5.416 -7.539 21.555 1.00 0.00 N ATOM 297 C2 DC B 2 5.910 -7.538 20.249 1.00 0.00 C ATOM 298 O2 DC B 2 7.115 -7.587 20.017 1.00 0.00 O ATOM 299 N3 DC B 2 5.012 -7.484 19.221 1.00 0.00 N ATOM 300 C4 DC B 2 3.691 -7.406 19.453 1.00 0.00 C ATOM 301 N4 DC B 2 2.849 -7.396 18.416 1.00 0.00 N ATOM 302 C5 DC B 2 3.179 -7.428 20.793 1.00 0.00 C ATOM 303 C6 DC B 2 4.070 -7.526 21.789 1.00 0.00 C ATOM 0 H5' DC B 2 4.770 -9.815 25.396 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.161 -8.665 26.660 1.00 0.00 H new ATOM 0 H4' DC B 2 7.081 -8.940 25.277 1.00 0.00 H new ATOM 0 H3' DC B 2 6.040 -6.367 25.837 1.00 0.00 H new ATOM 0 H2' DC B 2 4.880 -6.228 23.710 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.407 -5.436 23.374 1.00 0.00 H new ATOM 0 H1' DC B 2 7.345 -7.393 22.331 1.00 0.00 H new ATOM 0 H41 DC B 2 1.843 -7.337 18.576 1.00 0.00 H new ATOM 0 H42 DC B 2 3.212 -7.447 17.464 1.00 0.00 H new ATOM 0 H5 DC B 2 2.119 -7.368 20.991 1.00 0.00 H new ATOM 0 H6 DC B 2 3.714 -7.597 22.806 1.00 0.00 H new ATOM 315 P DG B 3 8.565 -5.181 25.121 1.00 0.00 P ATOM 316 OP1 DG B 3 9.733 -5.169 26.029 1.00 0.00 O ATOM 317 OP2 DG B 3 7.512 -4.152 25.263 1.00 0.00 O ATOM 318 O5' DG B 3 9.104 -5.166 23.598 1.00 0.00 O ATOM 319 C5' DG B 3 10.131 -6.058 23.204 1.00 0.00 C ATOM 320 C4' DG B 3 10.667 -5.788 21.808 1.00 0.00 C ATOM 321 O4' DG B 3 9.666 -5.946 20.819 1.00 0.00 O ATOM 322 C3' DG B 3 11.228 -4.367 21.777 1.00 0.00 C ATOM 323 O3' DG B 3 12.600 -4.379 21.424 1.00 0.00 O ATOM 324 C2' DG B 3 10.298 -3.717 20.770 1.00 0.00 C ATOM 325 C1' DG B 3 9.724 -4.850 19.932 1.00 0.00 C ATOM 326 N9 DG B 3 8.354 -4.569 19.451 1.00 0.00 N ATOM 327 C8 DG B 3 7.242 -4.272 20.195 1.00 0.00 C ATOM 328 N7 DG B 3 6.117 -4.361 19.545 1.00 0.00 N ATOM 329 C5 DG B 3 6.513 -4.715 18.262 1.00 0.00 C ATOM 330 C6 DG B 3 5.726 -5.011 17.112 1.00 0.00 C ATOM 331 O6 DG B 3 4.506 -5.135 17.047 1.00 0.00 O ATOM 332 N1 DG B 3 6.505 -5.167 15.968 1.00 0.00 N ATOM 333 C2 DG B 3 7.888 -5.142 15.952 1.00 0.00 C ATOM 334 N2 DG B 3 8.496 -5.319 14.776 1.00 0.00 N ATOM 335 N3 DG B 3 8.629 -4.983 17.059 1.00 0.00 N ATOM 336 C4 DG B 3 7.884 -4.764 18.175 1.00 0.00 C ATOM 0 H5' DG B 3 9.751 -7.079 23.247 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.952 -5.993 23.918 1.00 0.00 H new ATOM 0 H4' DG B 3 11.450 -6.512 21.582 1.00 0.00 H new ATOM 0 H3' DG B 3 11.240 -3.826 22.723 1.00 0.00 H new ATOM 0 H2' DG B 3 9.505 -3.164 21.273 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.837 -3.005 20.145 1.00 0.00 H new ATOM 0 H1' DG B 3 10.337 -5.014 19.045 1.00 0.00 H new ATOM 0 H8 DG B 3 7.294 -3.987 21.235 1.00 0.00 H new ATOM 0 H1 DG B 3 6.022 -5.310 15.081 1.00 0.00 H new ATOM 0 H21 DG B 3 9.514 -5.307 14.722 1.00 0.00 H new ATOM 0 H22 DG B 3 7.942 -5.466 13.932 1.00 0.00 H new ATOM 348 P DT B 4 13.467 -3.021 21.258 1.00 0.00 P ATOM 349 OP1 DT B 4 14.902 -3.381 21.273 1.00 0.00 O ATOM 350 OP2 DT B 4 12.948 -2.000 22.194 1.00 0.00 O ATOM 351 O5' DT B 4 13.067 -2.592 19.758 1.00 0.00 O ATOM 352 C5' DT B 4 13.287 -3.490 18.693 1.00 0.00 C ATOM 353 C4' DT B 4 12.630 -3.073 17.382 1.00 0.00 C ATOM 354 O4' DT B 4 11.226 -3.146 17.505 1.00 0.00 O ATOM 355 C3' DT B 4 13.001 -1.657 16.918 1.00 0.00 C ATOM 356 O3' DT B 4 13.727 -1.741 15.705 1.00 0.00 O ATOM 357 C2' DT B 4 11.626 -1.001 16.789 1.00 0.00 C ATOM 358 C1' DT B 4 10.692 -2.195 16.620 1.00 0.00 C ATOM 359 N1 DT B 4 9.308 -1.834 16.995 1.00 0.00 N ATOM 360 C2 DT B 4 8.285 -1.896 16.049 1.00 0.00 C ATOM 361 O2 DT B 4 8.478 -2.109 14.854 1.00 0.00 O ATOM 362 N3 DT B 4 6.999 -1.702 16.533 1.00 0.00 N ATOM 363 C4 DT B 4 6.659 -1.406 17.848 1.00 0.00 C ATOM 364 O4 DT B 4 5.480 -1.278 18.166 1.00 0.00 O ATOM 365 C5 DT B 4 7.796 -1.276 18.743 1.00 0.00 C ATOM 366 C7 DT B 4 7.596 -0.903 20.193 1.00 0.00 C ATOM 367 C6 DT B 4 9.052 -1.495 18.296 1.00 0.00 C ATOM 0 H5' DT B 4 12.913 -4.473 18.978 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.360 -3.591 18.533 1.00 0.00 H new ATOM 0 H4' DT B 4 13.005 -3.768 16.631 1.00 0.00 H new ATOM 0 H3' DT B 4 13.652 -1.085 17.579 1.00 0.00 H new ATOM 0 H2' DT B 4 11.375 -0.413 17.672 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.579 -0.327 15.934 1.00 0.00 H new ATOM 0 H1' DT B 4 10.634 -2.556 15.593 1.00 0.00 H new ATOM 0 H3 DT B 4 6.234 -1.784 15.863 1.00 0.00 H new ATOM 0 H71 DT B 4 8.388 -1.348 20.796 1.00 0.00 H new ATOM 0 H72 DT B 4 7.627 0.182 20.297 1.00 0.00 H new ATOM 0 H73 DT B 4 6.629 -1.273 20.534 1.00 0.00 H new ATOM 0 H6 DT B 4 9.878 -1.400 18.985 1.00 0.00 H new ATOM 380 P DA B 5 14.239 -0.435 14.910 1.00 0.00 P ATOM 381 OP1 DA B 5 15.447 -0.804 14.139 1.00 0.00 O ATOM 382 OP2 DA B 5 14.282 0.710 15.847 1.00 0.00 O ATOM 383 O5' DA B 5 13.030 -0.196 13.874 1.00 0.00 O ATOM 384 C5' DA B 5 12.746 -1.137 12.857 1.00 0.00 C ATOM 385 C4' DA B 5 11.594 -0.638 11.984 1.00 0.00 C ATOM 386 O4' DA B 5 10.391 -0.577 12.732 1.00 0.00 O ATOM 387 C3' DA B 5 11.869 0.759 11.404 1.00 0.00 C ATOM 388 O3' DA B 5 11.795 0.668 9.993 1.00 0.00 O ATOM 389 C2' DA B 5 10.774 1.600 12.069 1.00 0.00 C ATOM 390 C1' DA B 5 9.671 0.564 12.314 1.00 0.00 C ATOM 391 N9 DA B 5 8.733 0.971 13.383 1.00 0.00 N ATOM 392 C8 DA B 5 9.076 1.370 14.641 1.00 0.00 C ATOM 393 N7 DA B 5 8.092 1.424 15.491 1.00 0.00 N ATOM 394 C5 DA B 5 6.991 1.082 14.717 1.00 0.00 C ATOM 395 C6 DA B 5 5.621 0.949 15.018 1.00 0.00 C ATOM 396 N6 DA B 5 5.147 1.059 16.263 1.00 0.00 N ATOM 397 N1 DA B 5 4.765 0.675 14.015 1.00 0.00 N ATOM 398 C2 DA B 5 5.250 0.512 12.786 1.00 0.00 C ATOM 399 N3 DA B 5 6.519 0.554 12.382 1.00 0.00 N ATOM 400 C4 DA B 5 7.360 0.851 13.413 1.00 0.00 C ATOM 0 H5' DA B 5 12.485 -2.097 13.302 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.633 -1.300 12.244 1.00 0.00 H new ATOM 0 H4' DA B 5 11.499 -1.349 11.164 1.00 0.00 H new ATOM 0 H3' DA B 5 12.848 1.198 11.596 1.00 0.00 H new ATOM 0 H2' DA B 5 11.118 2.055 12.998 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.435 2.410 11.424 1.00 0.00 H new ATOM 0 H1' DA B 5 9.056 0.416 11.426 1.00 0.00 H new ATOM 0 H8 DA B 5 10.090 1.623 14.912 1.00 0.00 H new ATOM 0 H61 DA B 5 4.148 0.956 16.439 1.00 0.00 H new ATOM 0 H62 DA B 5 5.785 1.246 17.037 1.00 0.00 H new ATOM 0 H2 DA B 5 4.519 0.320 12.015 1.00 0.00 H new ATOM 412 P DC B 6 11.952 1.944 9.021 1.00 0.00 P ATOM 413 OP1 DC B 6 12.338 1.461 7.677 1.00 0.00 O ATOM 414 OP2 DC B 6 12.769 2.972 9.704 1.00 0.00 O ATOM 415 O5' DC B 6 10.431 2.457 8.958 1.00 0.00 O ATOM 416 C5' DC B 6 9.400 1.613 8.483 1.00 0.00 C ATOM 417 C4' DC B 6 8.044 2.278 8.703 1.00 0.00 C ATOM 418 O4' DC B 6 7.815 2.359 10.091 1.00 0.00 O ATOM 419 C3' DC B 6 7.878 3.690 8.136 1.00 0.00 C ATOM 420 O3' DC B 6 7.187 3.686 6.898 1.00 0.00 O ATOM 421 C2' DC B 6 7.140 4.422 9.254 1.00 0.00 C ATOM 422 C1' DC B 6 6.832 3.343 10.277 1.00 0.00 C ATOM 423 N1 DC B 6 6.852 3.853 11.671 1.00 0.00 N ATOM 424 C2 DC B 6 5.670 3.842 12.408 1.00 0.00 C ATOM 425 O2 DC B 6 4.584 3.627 11.878 1.00 0.00 O ATOM 426 N3 DC B 6 5.739 4.077 13.746 1.00 0.00 N ATOM 427 C4 DC B 6 6.904 4.350 14.349 1.00 0.00 C ATOM 428 N4 DC B 6 6.907 4.508 15.676 1.00 0.00 N ATOM 429 C5 DC B 6 8.128 4.425 13.600 1.00 0.00 C ATOM 430 C6 DC B 6 8.044 4.176 12.272 1.00 0.00 C ATOM 0 H5' DC B 6 9.434 0.655 9.002 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.546 1.407 7.423 1.00 0.00 H new ATOM 0 H4' DC B 6 7.334 1.652 8.162 1.00 0.00 H new ATOM 0 H3' DC B 6 8.820 4.177 7.885 1.00 0.00 H new ATOM 0 H2' DC B 6 7.755 5.213 9.684 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.228 4.892 8.886 1.00 0.00 H new ATOM 0 H1' DC B 6 5.824 2.955 10.131 1.00 0.00 H new ATOM 0 H41 DC B 6 7.779 4.716 16.163 1.00 0.00 H new ATOM 0 H42 DC B 6 6.038 4.420 16.202 1.00 0.00 H new ATOM 0 H5 DC B 6 9.068 4.668 14.073 1.00 0.00 H new ATOM 0 H6 DC B 6 8.938 4.233 11.669 1.00 0.00 H new ATOM 442 P DG B 7 6.836 5.052 6.100 1.00 0.00 P ATOM 443 OP1 DG B 7 6.544 4.701 4.693 1.00 0.00 O ATOM 444 OP2 DG B 7 7.878 6.058 6.406 1.00 0.00 O ATOM 445 O5' DG B 7 5.458 5.525 6.798 1.00 0.00 O ATOM 446 C5' DG B 7 4.294 4.727 6.707 1.00 0.00 C ATOM 447 C4' DG B 7 3.108 5.303 7.484 1.00 0.00 C ATOM 448 O4' DG B 7 3.354 5.257 8.881 1.00 0.00 O ATOM 449 C3' DG B 7 2.822 6.758 7.085 1.00 0.00 C ATOM 450 O3' DG B 7 1.443 6.922 6.804 1.00 0.00 O ATOM 451 C2' DG B 7 3.295 7.492 8.331 1.00 0.00 C ATOM 452 C1' DG B 7 2.957 6.496 9.430 1.00 0.00 C ATOM 453 N9 DG B 7 3.705 6.779 10.675 1.00 0.00 N ATOM 454 C8 DG B 7 5.032 7.092 10.804 1.00 0.00 C ATOM 455 N7 DG B 7 5.454 7.152 12.035 1.00 0.00 N ATOM 456 C5 DG B 7 4.310 6.905 12.786 1.00 0.00 C ATOM 457 C6 DG B 7 4.132 6.880 14.202 1.00 0.00 C ATOM 458 O6 DG B 7 4.994 6.972 15.071 1.00 0.00 O ATOM 459 N1 DG B 7 2.798 6.731 14.568 1.00 0.00 N ATOM 460 C2 DG B 7 1.753 6.596 13.673 1.00 0.00 C ATOM 461 N2 DG B 7 0.521 6.500 14.181 1.00 0.00 N ATOM 462 N3 DG B 7 1.926 6.565 12.342 1.00 0.00 N ATOM 463 C4 DG B 7 3.222 6.729 11.962 1.00 0.00 C ATOM 0 H5' DG B 7 4.516 3.728 7.082 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.016 4.619 5.659 1.00 0.00 H new ATOM 0 H4' DG B 7 2.241 4.690 7.237 1.00 0.00 H new ATOM 0 H3' DG B 7 3.312 7.117 6.180 1.00 0.00 H new ATOM 0 H2' DG B 7 4.362 7.713 8.294 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.777 8.441 8.467 1.00 0.00 H new ATOM 0 H1' DG B 7 1.904 6.529 9.712 1.00 0.00 H new ATOM 0 H8 DG B 7 5.675 7.274 9.956 1.00 0.00 H new ATOM 0 H1 DG B 7 2.576 6.721 15.564 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.281 6.399 13.559 1.00 0.00 H new ATOM 0 H22 DG B 7 0.382 6.528 15.191 1.00 0.00 H new ATOM 475 P DC B 8 0.814 8.351 6.390 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.427 8.109 5.622 1.00 0.00 O ATOM 477 OP2 DC B 8 1.884 9.197 5.816 1.00 0.00 O ATOM 478 O5' DC B 8 0.412 8.950 7.830 1.00 0.00 O ATOM 479 C5' DC B 8 -0.686 8.426 8.547 1.00 0.00 C ATOM 480 C4' DC B 8 -0.768 9.020 9.954 1.00 0.00 C ATOM 481 O4' DC B 8 0.396 8.703 10.680 1.00 0.00 O ATOM 482 C3' DC B 8 -0.855 10.546 9.999 1.00 0.00 C ATOM 483 O3' DC B 8 -2.179 11.014 9.845 1.00 0.00 O ATOM 484 C2' DC B 8 -0.298 10.860 11.386 1.00 0.00 C ATOM 485 C1' DC B 8 0.443 9.578 11.788 1.00 0.00 C ATOM 486 N1 DC B 8 1.852 9.855 12.173 1.00 0.00 N ATOM 487 C2 DC B 8 2.195 9.882 13.526 1.00 0.00 C ATOM 488 O2 DC B 8 1.347 9.760 14.407 1.00 0.00 O ATOM 489 N3 DC B 8 3.506 10.048 13.859 1.00 0.00 N ATOM 490 C4 DC B 8 4.451 10.198 12.919 1.00 0.00 C ATOM 491 N4 DC B 8 5.725 10.303 13.310 1.00 0.00 N ATOM 492 C5 DC B 8 4.115 10.214 11.522 1.00 0.00 C ATOM 493 C6 DC B 8 2.811 10.038 11.205 1.00 0.00 C ATOM 0 H5' DC B 8 -0.596 7.342 8.613 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.609 8.637 8.007 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.681 8.594 10.370 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.312 11.032 9.188 1.00 0.00 H new ATOM 0 H2' DC B 8 0.374 11.718 11.361 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.094 11.099 12.091 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.186 11.993 9.882 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.035 9.132 12.660 1.00 0.00 H new ATOM 0 H41 DC B 8 6.464 10.418 12.616 1.00 0.00 H new ATOM 0 H42 DC B 8 5.958 10.268 14.302 1.00 0.00 H new ATOM 0 H5 DC B 8 4.867 10.360 10.761 1.00 0.00 H new ATOM 0 H6 DC B 8 2.517 10.041 10.166 1.00 0.00 H new TER 506 DC B 8