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 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.69! (180deg=-1.69!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.86! (180deg=-1.86!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.874 -10.250 -0.649 1.00 0.00 O ATOM 2 C5' DC A 1 4.028 -9.145 -0.884 1.00 0.00 C ATOM 3 C4' DC A 1 4.250 -8.055 0.171 1.00 0.00 C ATOM 4 O4' DC A 1 3.317 -7.001 -0.030 1.00 0.00 O ATOM 5 C3' DC A 1 3.988 -8.534 1.607 1.00 0.00 C ATOM 6 O3' DC A 1 5.050 -9.146 2.338 1.00 0.00 O ATOM 7 C2' DC A 1 3.417 -7.273 2.300 1.00 0.00 C ATOM 8 C1' DC A 1 3.264 -6.244 1.165 1.00 0.00 C ATOM 9 N1 DC A 1 2.046 -5.392 1.275 1.00 0.00 N ATOM 10 C2 DC A 1 2.130 -3.994 1.292 1.00 0.00 C ATOM 11 O2 DC A 1 3.207 -3.409 1.203 1.00 0.00 O ATOM 12 N3 DC A 1 0.973 -3.273 1.408 1.00 0.00 N ATOM 13 C4 DC A 1 -0.219 -3.884 1.508 1.00 0.00 C ATOM 14 N4 DC A 1 -1.326 -3.144 1.639 1.00 0.00 N ATOM 15 C5 DC A 1 -0.327 -5.314 1.442 1.00 0.00 C ATOM 16 C6 DC A 1 0.831 -6.002 1.322 1.00 0.00 C ATOM 0 H5' DC A 1 2.987 -9.468 -0.866 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.219 -8.740 -1.878 1.00 0.00 H new ATOM 0 H4' DC A 1 5.291 -7.753 0.058 1.00 0.00 H new ATOM 0 H3' DC A 1 3.317 -9.392 1.576 1.00 0.00 H new ATOM 0 H2' DC A 1 2.460 -7.482 2.778 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.089 -6.909 3.078 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.715 -10.935 -1.332 1.00 0.00 H new ATOM 0 H1' DC A 1 4.062 -5.503 1.204 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.236 -3.597 1.716 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.259 -2.126 1.662 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.283 -5.814 1.486 1.00 0.00 H new ATOM 0 H6 DC A 1 0.790 -7.079 1.261 1.00 0.00 H new ATOM 29 P DG A 2 6.575 -8.591 2.475 1.00 0.00 P ATOM 30 OP1 DG A 2 7.204 -8.605 1.136 1.00 0.00 O ATOM 31 OP2 DG A 2 7.210 -9.361 3.568 1.00 0.00 O ATOM 32 O5' DG A 2 6.483 -7.056 2.981 1.00 0.00 O ATOM 33 C5' DG A 2 7.035 -6.000 2.218 1.00 0.00 C ATOM 34 C4' DG A 2 7.023 -4.661 2.937 1.00 0.00 C ATOM 35 O4' DG A 2 5.711 -4.129 2.884 1.00 0.00 O ATOM 36 C3' DG A 2 7.480 -4.705 4.406 1.00 0.00 C ATOM 37 O3' DG A 2 8.435 -3.675 4.562 1.00 0.00 O ATOM 38 C2' DG A 2 6.129 -4.503 5.090 1.00 0.00 C ATOM 39 C1' DG A 2 5.470 -3.529 4.127 1.00 0.00 C ATOM 40 N9 DG A 2 4.020 -3.369 4.379 1.00 0.00 N ATOM 41 C8 DG A 2 3.129 -4.325 4.791 1.00 0.00 C ATOM 42 N7 DG A 2 1.886 -3.940 4.796 1.00 0.00 N ATOM 43 C5 DG A 2 1.957 -2.610 4.401 1.00 0.00 C ATOM 44 C6 DG A 2 0.912 -1.657 4.232 1.00 0.00 C ATOM 45 O6 DG A 2 -0.297 -1.858 4.278 1.00 0.00 O ATOM 46 N1 DG A 2 1.394 -0.373 3.990 1.00 0.00 N ATOM 47 C2 DG A 2 2.732 -0.065 3.828 1.00 0.00 C ATOM 48 N2 DG A 2 3.037 1.220 3.619 1.00 0.00 N ATOM 49 N3 DG A 2 3.712 -0.985 3.884 1.00 0.00 N ATOM 50 C4 DG A 2 3.263 -2.233 4.190 1.00 0.00 C ATOM 0 H5' DG A 2 6.479 -5.907 1.285 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.062 -6.252 1.953 1.00 0.00 H new ATOM 0 H4' DG A 2 7.750 -4.036 2.418 1.00 0.00 H new ATOM 0 H3' DG A 2 7.982 -5.589 4.800 1.00 0.00 H new ATOM 0 H2' DG A 2 5.570 -5.434 5.185 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.231 -4.089 6.093 1.00 0.00 H new ATOM 0 H1' DG A 2 5.864 -2.516 4.215 1.00 0.00 H new ATOM 0 H8 DG A 2 3.434 -5.318 5.088 1.00 0.00 H new ATOM 0 H1 DG A 2 0.717 0.388 3.928 1.00 0.00 H new ATOM 0 H21 DG A 2 4.010 1.499 3.493 1.00 0.00 H new ATOM 0 H22 DG A 2 2.297 1.921 3.585 1.00 0.00 H new ATOM 62 P DC A 3 8.938 -3.135 5.987 1.00 0.00 P ATOM 63 OP1 DC A 3 10.381 -2.820 5.889 1.00 0.00 O ATOM 64 OP2 DC A 3 8.443 -4.019 7.065 1.00 0.00 O ATOM 65 O5' DC A 3 8.108 -1.759 6.013 1.00 0.00 O ATOM 66 C5' DC A 3 8.377 -0.739 5.067 1.00 0.00 C ATOM 67 C4' DC A 3 7.628 0.538 5.432 1.00 0.00 C ATOM 68 O4' DC A 3 6.235 0.324 5.323 1.00 0.00 O ATOM 69 C3' DC A 3 7.946 1.002 6.861 1.00 0.00 C ATOM 70 O3' DC A 3 8.425 2.334 6.781 1.00 0.00 O ATOM 71 C2' DC A 3 6.621 0.831 7.582 1.00 0.00 C ATOM 72 C1' DC A 3 5.596 0.866 6.459 1.00 0.00 C ATOM 73 N1 DC A 3 4.453 -0.006 6.825 1.00 0.00 N ATOM 74 C2 DC A 3 3.180 0.535 6.990 1.00 0.00 C ATOM 75 O2 DC A 3 2.962 1.734 6.831 1.00 0.00 O ATOM 76 N3 DC A 3 2.165 -0.307 7.335 1.00 0.00 N ATOM 77 C4 DC A 3 2.375 -1.612 7.554 1.00 0.00 C ATOM 78 N4 DC A 3 1.334 -2.401 7.833 1.00 0.00 N ATOM 79 C5 DC A 3 3.688 -2.172 7.450 1.00 0.00 C ATOM 80 C6 DC A 3 4.675 -1.342 7.057 1.00 0.00 C ATOM 0 H5' DC A 3 8.080 -1.070 4.072 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.448 -0.542 5.031 1.00 0.00 H new ATOM 0 H4' DC A 3 7.952 1.314 4.738 1.00 0.00 H new ATOM 0 H3' DC A 3 8.721 0.454 7.396 1.00 0.00 H new ATOM 0 H2' DC A 3 6.582 -0.110 8.131 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.452 1.629 8.304 1.00 0.00 H new ATOM 0 H1' DC A 3 5.234 1.878 6.276 1.00 0.00 H new ATOM 0 H41 DC A 3 1.479 -3.396 8.002 1.00 0.00 H new ATOM 0 H42 DC A 3 0.394 -2.008 7.877 1.00 0.00 H new ATOM 0 H5 DC A 3 3.879 -3.211 7.676 1.00 0.00 H new ATOM 0 H6 DC A 3 5.670 -1.739 6.920 1.00 0.00 H new ATOM 92 P DT A 4 8.783 3.220 8.077 1.00 0.00 P ATOM 93 OP1 DT A 4 9.594 4.377 7.637 1.00 0.00 O ATOM 94 OP2 DT A 4 9.290 2.323 9.139 1.00 0.00 O ATOM 95 O5' DT A 4 7.331 3.757 8.516 1.00 0.00 O ATOM 96 C5' DT A 4 6.531 4.540 7.649 1.00 0.00 C ATOM 97 C4' DT A 4 5.251 4.975 8.369 1.00 0.00 C ATOM 98 O4' DT A 4 4.403 3.856 8.544 1.00 0.00 O ATOM 99 C3' DT A 4 5.519 5.598 9.742 1.00 0.00 C ATOM 100 O3' DT A 4 5.130 6.960 9.768 1.00 0.00 O ATOM 101 C2' DT A 4 4.731 4.702 10.698 1.00 0.00 C ATOM 102 C1' DT A 4 3.751 3.963 9.791 1.00 0.00 C ATOM 103 N1 DT A 4 3.388 2.592 10.258 1.00 0.00 N ATOM 104 C2 DT A 4 2.038 2.252 10.326 1.00 0.00 C ATOM 105 O2 DT A 4 1.129 3.077 10.281 1.00 0.00 O ATOM 106 N3 DT A 4 1.750 0.901 10.452 1.00 0.00 N ATOM 107 C4 DT A 4 2.668 -0.135 10.527 1.00 0.00 C ATOM 108 O4 DT A 4 2.267 -1.294 10.626 1.00 0.00 O ATOM 109 C5 DT A 4 4.057 0.295 10.476 1.00 0.00 C ATOM 110 C7 DT A 4 5.180 -0.735 10.474 1.00 0.00 C ATOM 111 C6 DT A 4 4.356 1.616 10.360 1.00 0.00 C ATOM 0 H5' DT A 4 6.279 3.967 6.756 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.088 5.417 7.319 1.00 0.00 H new ATOM 0 H4' DT A 4 4.783 5.735 7.743 1.00 0.00 H new ATOM 0 H3' DT A 4 6.573 5.632 10.018 1.00 0.00 H new ATOM 0 H2' DT A 4 5.386 4.009 11.226 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.210 5.288 11.455 1.00 0.00 H new ATOM 0 H1' DT A 4 2.813 4.518 9.765 1.00 0.00 H new ATOM 0 H3 DT A 4 0.764 0.644 10.494 1.00 0.00 H new ATOM 0 H71 DT A 4 6.035 -0.340 9.925 1.00 0.00 H new ATOM 0 H72 DT A 4 5.477 -0.952 11.500 1.00 0.00 H new ATOM 0 H73 DT A 4 4.833 -1.651 9.996 1.00 0.00 H new ATOM 0 H6 DT A 4 5.394 1.913 10.347 1.00 0.00 H new ATOM 124 P DA A 5 5.371 7.894 11.067 1.00 0.00 P ATOM 125 OP1 DA A 5 5.551 9.291 10.612 1.00 0.00 O ATOM 126 OP2 DA A 5 6.393 7.263 11.932 1.00 0.00 O ATOM 127 O5' DA A 5 3.946 7.778 11.804 1.00 0.00 O ATOM 128 C5' DA A 5 2.803 8.392 11.248 1.00 0.00 C ATOM 129 C4' DA A 5 1.528 7.983 11.980 1.00 0.00 C ATOM 130 O4' DA A 5 1.448 6.569 11.989 1.00 0.00 O ATOM 131 C3' DA A 5 1.528 8.465 13.438 1.00 0.00 C ATOM 132 O3' DA A 5 0.235 8.755 13.914 1.00 0.00 O ATOM 133 C2' DA A 5 1.958 7.223 14.180 1.00 0.00 C ATOM 134 C1' DA A 5 1.257 6.166 13.326 1.00 0.00 C ATOM 135 N9 DA A 5 1.756 4.793 13.535 1.00 0.00 N ATOM 136 C8 DA A 5 3.034 4.348 13.754 1.00 0.00 C ATOM 137 N7 DA A 5 3.145 3.045 13.799 1.00 0.00 N ATOM 138 C5 DA A 5 1.839 2.594 13.615 1.00 0.00 C ATOM 139 C6 DA A 5 1.241 1.313 13.558 1.00 0.00 C ATOM 140 N6 DA A 5 1.922 0.164 13.656 1.00 0.00 N ATOM 141 N1 DA A 5 -0.092 1.242 13.384 1.00 0.00 N ATOM 142 C2 DA A 5 -0.793 2.365 13.254 1.00 0.00 C ATOM 143 N3 DA A 5 -0.353 3.615 13.260 1.00 0.00 N ATOM 144 C4 DA A 5 0.990 3.661 13.451 1.00 0.00 C ATOM 0 H5' DA A 5 2.721 8.121 10.195 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.915 9.475 11.291 1.00 0.00 H new ATOM 0 H4' DA A 5 0.682 8.435 11.463 1.00 0.00 H new ATOM 0 H3' DA A 5 2.138 9.361 13.553 1.00 0.00 H new ATOM 0 H2' DA A 5 3.041 7.098 14.196 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.621 7.216 15.216 1.00 0.00 H new ATOM 0 H1' DA A 5 0.205 6.113 13.606 1.00 0.00 H new ATOM 0 H8 DA A 5 3.875 5.014 13.878 1.00 0.00 H new ATOM 0 H61 DA A 5 1.428 -0.727 13.607 1.00 0.00 H new ATOM 0 H62 DA A 5 2.934 0.180 13.780 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.858 2.242 13.127 1.00 0.00 H new ATOM 156 P DG A 6 -0.487 10.161 13.671 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.658 10.387 12.218 1.00 0.00 O ATOM 158 OP2 DG A 6 0.169 11.185 14.514 1.00 0.00 O ATOM 159 O5' DG A 6 -1.912 9.798 14.312 1.00 0.00 O ATOM 160 C5' DG A 6 -2.676 8.701 13.843 1.00 0.00 C ATOM 161 C4' DG A 6 -2.828 7.552 14.860 1.00 0.00 C ATOM 162 O4' DG A 6 -1.941 6.440 14.730 1.00 0.00 O ATOM 163 C3' DG A 6 -2.812 7.939 16.349 1.00 0.00 C ATOM 164 O3' DG A 6 -4.146 8.018 16.826 1.00 0.00 O ATOM 165 C2' DG A 6 -1.937 6.851 16.965 1.00 0.00 C ATOM 166 C1' DG A 6 -2.011 5.723 15.958 1.00 0.00 C ATOM 167 N9 DG A 6 -0.983 4.682 16.206 1.00 0.00 N ATOM 168 C8 DG A 6 0.340 4.810 16.554 1.00 0.00 C ATOM 169 N7 DG A 6 0.961 3.684 16.752 1.00 0.00 N ATOM 170 C5 DG A 6 -0.030 2.731 16.569 1.00 0.00 C ATOM 171 C6 DG A 6 0.039 1.314 16.683 1.00 0.00 C ATOM 172 O6 DG A 6 1.039 0.625 16.856 1.00 0.00 O ATOM 173 N1 DG A 6 -1.211 0.713 16.576 1.00 0.00 N ATOM 174 C2 DG A 6 -2.389 1.390 16.333 1.00 0.00 C ATOM 175 N2 DG A 6 -3.515 0.669 16.305 1.00 0.00 N ATOM 176 N3 DG A 6 -2.445 2.719 16.166 1.00 0.00 N ATOM 177 C4 DG A 6 -1.235 3.332 16.300 1.00 0.00 C ATOM 0 H5' DG A 6 -2.211 8.310 12.938 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.668 9.057 13.564 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.832 7.252 14.561 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.405 8.920 16.595 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.912 7.194 17.109 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.309 6.542 17.942 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.907 5.103 15.992 1.00 0.00 H new ATOM 0 H8 DG A 6 0.826 5.769 16.655 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.261 -0.300 16.685 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.409 1.127 16.129 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.479 -0.339 16.460 1.00 0.00 H new ATOM 189 P DC A 7 -4.550 8.093 18.394 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.789 8.894 18.512 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.360 8.457 19.194 1.00 0.00 O ATOM 192 O5' DC A 7 -4.922 6.545 18.685 1.00 0.00 O ATOM 193 C5' DC A 7 -5.847 5.882 17.843 1.00 0.00 C ATOM 194 C4' DC A 7 -6.268 4.488 18.315 1.00 0.00 C ATOM 195 O4' DC A 7 -5.218 3.561 18.105 1.00 0.00 O ATOM 196 C3' DC A 7 -6.714 4.442 19.778 1.00 0.00 C ATOM 197 O3' DC A 7 -7.930 3.716 19.867 1.00 0.00 O ATOM 198 C2' DC A 7 -5.523 3.749 20.404 1.00 0.00 C ATOM 199 C1' DC A 7 -4.986 2.846 19.298 1.00 0.00 C ATOM 200 N1 DC A 7 -3.521 2.664 19.466 1.00 0.00 N ATOM 201 C2 DC A 7 -2.957 1.402 19.683 1.00 0.00 C ATOM 202 O2 DC A 7 -3.647 0.386 19.729 1.00 0.00 O ATOM 203 N3 DC A 7 -1.601 1.321 19.844 1.00 0.00 N ATOM 204 C4 DC A 7 -0.829 2.421 19.804 1.00 0.00 C ATOM 205 N4 DC A 7 0.493 2.301 19.939 1.00 0.00 N ATOM 206 C5 DC A 7 -1.394 3.717 19.573 1.00 0.00 C ATOM 207 C6 DC A 7 -2.726 3.776 19.400 1.00 0.00 C ATOM 0 H5' DC A 7 -5.412 5.796 16.847 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.739 6.502 17.749 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.137 4.217 17.716 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.938 5.392 20.263 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.771 4.468 20.730 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.815 3.172 21.282 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.458 1.864 19.306 1.00 0.00 H new ATOM 0 H41 DC A 7 1.086 3.130 19.910 1.00 0.00 H new ATOM 0 H42 DC A 7 0.911 1.380 20.071 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.779 4.604 19.539 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.184 4.734 19.202 1.00 0.00 H new ATOM 219 P DG A 8 -8.747 3.543 21.250 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.110 3.068 20.926 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.570 4.767 22.064 1.00 0.00 O ATOM 222 O5' DG A 8 -7.956 2.341 21.970 1.00 0.00 O ATOM 223 C5' DG A 8 -7.900 1.052 21.393 1.00 0.00 C ATOM 224 C4' DG A 8 -7.024 0.120 22.235 1.00 0.00 C ATOM 225 O4' DG A 8 -5.656 0.408 21.993 1.00 0.00 O ATOM 226 C3' DG A 8 -7.256 0.235 23.752 1.00 0.00 C ATOM 227 O3' DG A 8 -7.426 -1.039 24.339 1.00 0.00 O ATOM 228 C2' DG A 8 -5.953 0.861 24.237 1.00 0.00 C ATOM 229 C1' DG A 8 -4.977 0.285 23.221 1.00 0.00 C ATOM 230 N9 DG A 8 -3.668 0.973 23.198 1.00 0.00 N ATOM 231 C8 DG A 8 -3.388 2.317 23.235 1.00 0.00 C ATOM 232 N7 DG A 8 -2.115 2.594 23.146 1.00 0.00 N ATOM 233 C5 DG A 8 -1.502 1.347 23.058 1.00 0.00 C ATOM 234 C6 DG A 8 -0.120 0.998 22.950 1.00 0.00 C ATOM 235 O6 DG A 8 0.850 1.750 22.892 1.00 0.00 O ATOM 236 N1 DG A 8 0.082 -0.381 22.912 1.00 0.00 N ATOM 237 C2 DG A 8 -0.929 -1.319 22.982 1.00 0.00 C ATOM 238 N2 DG A 8 -0.570 -2.607 22.963 1.00 0.00 N ATOM 239 N3 DG A 8 -2.228 -0.994 23.068 1.00 0.00 N ATOM 240 C4 DG A 8 -2.447 0.350 23.100 1.00 0.00 C ATOM 0 H5' DG A 8 -7.501 1.118 20.381 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.906 0.640 21.313 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.299 -0.890 21.933 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.149 0.806 24.007 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.982 1.950 24.213 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.708 0.571 25.259 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.570 -0.938 25.303 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.714 -0.744 23.464 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.151 3.076 23.329 1.00 0.00 H new ATOM 0 H1 DG A 8 1.040 -0.720 22.827 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.282 -3.336 23.013 1.00 0.00 H new ATOM 0 H22 DG A 8 0.416 -2.861 22.899 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.541 -6.860 26.030 1.00 0.00 O ATOM 255 C5' DC B 1 7.102 -6.751 24.739 1.00 0.00 C ATOM 256 C4' DC B 1 5.995 -6.562 23.695 1.00 0.00 C ATOM 257 O4' DC B 1 5.332 -5.318 23.883 1.00 0.00 O ATOM 258 C3' DC B 1 6.550 -6.479 22.265 1.00 0.00 C ATOM 259 O3' DC B 1 6.797 -7.686 21.547 1.00 0.00 O ATOM 260 C2' DC B 1 5.559 -5.526 21.556 1.00 0.00 C ATOM 261 C1' DC B 1 4.639 -5.023 22.683 1.00 0.00 C ATOM 262 N1 DC B 1 4.251 -3.589 22.553 1.00 0.00 N ATOM 263 C2 DC B 1 2.907 -3.195 22.508 1.00 0.00 C ATOM 264 O2 DC B 1 1.991 -4.010 22.591 1.00 0.00 O ATOM 265 N3 DC B 1 2.622 -1.864 22.370 1.00 0.00 N ATOM 266 C4 DC B 1 3.602 -0.950 22.273 1.00 0.00 C ATOM 267 N4 DC B 1 3.282 0.340 22.121 1.00 0.00 N ATOM 268 C5 DC B 1 4.982 -1.331 22.360 1.00 0.00 C ATOM 269 C6 DC B 1 5.237 -2.652 22.503 1.00 0.00 C ATOM 0 H5' DC B 1 7.680 -7.646 24.509 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.792 -5.908 24.704 1.00 0.00 H new ATOM 0 H4' DC B 1 5.337 -7.422 23.821 1.00 0.00 H new ATOM 0 H3' DC B 1 7.580 -6.125 22.303 1.00 0.00 H new ATOM 0 H2' DC B 1 6.080 -4.701 21.070 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.993 -6.045 20.783 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.257 -6.982 26.688 1.00 0.00 H new ATOM 0 H1' DC B 1 3.671 -5.523 22.651 1.00 0.00 H new ATOM 0 H41 DC B 1 4.018 1.043 22.046 1.00 0.00 H new ATOM 0 H42 DC B 1 2.302 0.621 22.080 1.00 0.00 H new ATOM 0 H5 DC B 1 5.777 -0.601 22.314 1.00 0.00 H new ATOM 0 H6 DC B 1 6.264 -2.976 22.581 1.00 0.00 H new ATOM 282 P DG B 2 5.778 -8.945 21.398 1.00 0.00 P ATOM 283 OP1 DG B 2 5.563 -9.530 22.740 1.00 0.00 O ATOM 284 OP2 DG B 2 6.320 -9.806 20.323 1.00 0.00 O ATOM 285 O5' DG B 2 4.370 -8.353 20.860 1.00 0.00 O ATOM 286 C5' DG B 2 3.180 -8.501 21.609 1.00 0.00 C ATOM 287 C4' DG B 2 1.935 -8.037 20.871 1.00 0.00 C ATOM 288 O4' DG B 2 1.871 -6.622 20.915 1.00 0.00 O ATOM 289 C3' DG B 2 1.844 -8.491 19.405 1.00 0.00 C ATOM 290 O3' DG B 2 0.561 -9.060 19.242 1.00 0.00 O ATOM 291 C2' DG B 2 2.108 -7.153 18.718 1.00 0.00 C ATOM 292 C1' DG B 2 1.392 -6.203 19.665 1.00 0.00 C ATOM 293 N9 DG B 2 1.729 -4.786 19.404 1.00 0.00 N ATOM 294 C8 DG B 2 2.936 -4.270 19.011 1.00 0.00 C ATOM 295 N7 DG B 2 2.990 -2.970 18.996 1.00 0.00 N ATOM 296 C5 DG B 2 1.706 -2.588 19.362 1.00 0.00 C ATOM 297 C6 DG B 2 1.154 -1.283 19.508 1.00 0.00 C ATOM 298 O6 DG B 2 1.750 -0.212 19.467 1.00 0.00 O ATOM 299 N1 DG B 2 -0.221 -1.305 19.720 1.00 0.00 N ATOM 300 C2 DG B 2 -0.964 -2.461 19.875 1.00 0.00 C ATOM 301 N2 DG B 2 -2.282 -2.315 20.053 1.00 0.00 N ATOM 302 N3 DG B 2 -0.425 -3.693 19.841 1.00 0.00 N ATOM 303 C4 DG B 2 0.908 -3.691 19.564 1.00 0.00 C ATOM 0 H5' DG B 2 3.273 -7.938 22.538 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.061 -9.549 21.882 1.00 0.00 H new ATOM 0 H4' DG B 2 1.095 -8.505 21.385 1.00 0.00 H new ATOM 0 H3' DG B 2 2.517 -9.256 19.018 1.00 0.00 H new ATOM 0 H2' DG B 2 3.172 -6.932 18.637 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.698 -7.118 17.709 1.00 0.00 H new ATOM 0 H1' DG B 2 0.307 -6.239 19.569 1.00 0.00 H new ATOM 0 H8 DG B 2 3.775 -4.892 18.736 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.712 -0.412 19.764 1.00 0.00 H new ATOM 0 H21 DG B 2 -2.875 -3.137 20.172 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.694 -1.382 20.070 1.00 0.00 H new ATOM 315 P DC B 3 -0.108 -9.352 17.815 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.899 -10.599 17.910 1.00 0.00 O ATOM 317 OP2 DC B 3 0.900 -9.191 16.744 1.00 0.00 O ATOM 318 O5' DC B 3 -1.114 -8.101 17.783 1.00 0.00 O ATOM 319 C5' DC B 3 -2.186 -8.010 18.705 1.00 0.00 C ATOM 320 C4' DC B 3 -3.108 -6.861 18.302 1.00 0.00 C ATOM 321 O4' DC B 3 -2.427 -5.626 18.384 1.00 0.00 O ATOM 322 C3' DC B 3 -3.655 -7.035 16.878 1.00 0.00 C ATOM 323 O3' DC B 3 -5.071 -7.041 16.942 1.00 0.00 O ATOM 324 C2' DC B 3 -3.052 -5.856 16.137 1.00 0.00 C ATOM 325 C1' DC B 3 -2.736 -4.857 17.240 1.00 0.00 C ATOM 326 N1 DC B 3 -1.532 -4.078 16.862 1.00 0.00 N ATOM 327 C2 DC B 3 -1.603 -2.697 16.697 1.00 0.00 C ATOM 328 O2 DC B 3 -2.658 -2.082 16.834 1.00 0.00 O ATOM 329 N3 DC B 3 -0.457 -2.031 16.375 1.00 0.00 N ATOM 330 C4 DC B 3 0.703 -2.675 16.184 1.00 0.00 C ATOM 331 N4 DC B 3 1.805 -1.967 15.926 1.00 0.00 N ATOM 332 C5 DC B 3 0.778 -4.101 16.289 1.00 0.00 C ATOM 333 C6 DC B 3 -0.350 -4.743 16.654 1.00 0.00 C ATOM 0 H5' DC B 3 -1.801 -7.846 19.711 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.743 -8.947 18.726 1.00 0.00 H new ATOM 0 H4' DC B 3 -3.947 -6.871 18.998 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.398 -7.964 16.370 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.155 -6.144 15.589 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.750 -5.441 15.410 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.568 -4.174 17.412 1.00 0.00 H new ATOM 0 H41 DC B 3 2.695 -2.444 15.779 1.00 0.00 H new ATOM 0 H42 DC B 3 1.757 -0.949 15.876 1.00 0.00 H new ATOM 0 H5 DC B 3 1.694 -4.636 16.086 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.322 -5.814 16.787 1.00 0.00 H new ATOM 345 P DT B 4 -6.009 -7.119 15.633 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.374 -7.492 16.064 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.316 -7.921 14.600 1.00 0.00 O ATOM 348 O5' DT B 4 -6.033 -5.582 15.151 1.00 0.00 O ATOM 349 C5' DT B 4 -6.493 -4.549 16.002 1.00 0.00 C ATOM 350 C4' DT B 4 -6.491 -3.200 15.280 1.00 0.00 C ATOM 351 O4' DT B 4 -5.158 -2.753 15.124 1.00 0.00 O ATOM 352 C3' DT B 4 -7.157 -3.261 13.904 1.00 0.00 C ATOM 353 O3' DT B 4 -8.309 -2.441 13.851 1.00 0.00 O ATOM 354 C2' DT B 4 -6.035 -2.830 12.961 1.00 0.00 C ATOM 355 C1' DT B 4 -5.024 -2.131 13.865 1.00 0.00 C ATOM 356 N1 DT B 4 -3.604 -2.263 13.424 1.00 0.00 N ATOM 357 C2 DT B 4 -2.824 -1.111 13.347 1.00 0.00 C ATOM 358 O2 DT B 4 -3.292 0.025 13.371 1.00 0.00 O ATOM 359 N3 DT B 4 -1.455 -1.301 13.238 1.00 0.00 N ATOM 360 C4 DT B 4 -0.791 -2.517 13.189 1.00 0.00 C ATOM 361 O4 DT B 4 0.435 -2.535 13.102 1.00 0.00 O ATOM 362 C5 DT B 4 -1.669 -3.676 13.249 1.00 0.00 C ATOM 363 C7 DT B 4 -1.077 -5.081 13.264 1.00 0.00 C ATOM 364 C6 DT B 4 -3.014 -3.507 13.351 1.00 0.00 C ATOM 0 H5' DT B 4 -5.859 -4.493 16.887 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.501 -4.779 16.347 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.068 -2.509 15.894 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.545 -4.244 13.637 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.590 -3.687 12.456 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.404 -2.159 12.185 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.234 -1.061 13.860 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.878 -0.461 13.189 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.737 -5.748 13.818 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.971 -5.442 12.241 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.098 -5.058 13.744 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.646 -4.382 13.376 1.00 0.00 H new ATOM 377 P DA B 5 -9.238 -2.365 12.531 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.623 -2.054 12.949 1.00 0.00 O ATOM 379 OP2 DA B 5 -8.971 -3.549 11.683 1.00 0.00 O ATOM 380 O5' DA B 5 -8.621 -1.072 11.800 1.00 0.00 O ATOM 381 C5' DA B 5 -8.859 0.218 12.317 1.00 0.00 C ATOM 382 C4' DA B 5 -8.043 1.292 11.603 1.00 0.00 C ATOM 383 O4' DA B 5 -6.676 0.921 11.636 1.00 0.00 O ATOM 384 C3' DA B 5 -8.460 1.432 10.132 1.00 0.00 C ATOM 385 O3' DA B 5 -8.266 2.733 9.631 1.00 0.00 O ATOM 386 C2' DA B 5 -7.421 0.577 9.446 1.00 0.00 C ATOM 387 C1' DA B 5 -6.206 0.927 10.306 1.00 0.00 C ATOM 388 N9 DA B 5 -5.079 -0.007 10.132 1.00 0.00 N ATOM 389 C8 DA B 5 -5.090 -1.356 9.899 1.00 0.00 C ATOM 390 N7 DA B 5 -3.902 -1.902 9.869 1.00 0.00 N ATOM 391 C5 DA B 5 -3.038 -0.828 10.069 1.00 0.00 C ATOM 392 C6 DA B 5 -1.631 -0.696 10.136 1.00 0.00 C ATOM 393 N6 DA B 5 -0.779 -1.726 10.046 1.00 0.00 N ATOM 394 N1 DA B 5 -1.116 0.536 10.307 1.00 0.00 N ATOM 395 C2 DA B 5 -1.938 1.576 10.425 1.00 0.00 C ATOM 396 N3 DA B 5 -3.262 1.582 10.412 1.00 0.00 N ATOM 397 C4 DA B 5 -3.756 0.332 10.224 1.00 0.00 C ATOM 0 H5' DA B 5 -8.619 0.230 13.380 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.920 0.452 12.227 1.00 0.00 H new ATOM 0 H4' DA B 5 -8.215 2.241 12.110 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.510 1.176 9.990 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.665 -0.485 9.476 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.284 0.843 8.398 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.800 1.895 10.013 1.00 0.00 H new ATOM 0 H8 DA B 5 -6.000 -1.920 9.753 1.00 0.00 H new ATOM 0 H61 DA B 5 0.226 -1.563 10.102 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.136 -2.673 9.922 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.464 2.539 10.547 1.00 0.00 H new ATOM 409 P DG B 6 -9.348 3.899 9.802 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.532 4.196 11.240 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.517 3.592 8.948 1.00 0.00 O ATOM 412 O5' DG B 6 -8.512 5.090 9.126 1.00 0.00 O ATOM 413 C5' DG B 6 -7.249 5.486 9.629 1.00 0.00 C ATOM 414 C4' DG B 6 -6.075 5.214 8.670 1.00 0.00 C ATOM 415 O4' DG B 6 -5.349 3.996 8.851 1.00 0.00 O ATOM 416 C3' DG B 6 -6.383 5.306 7.166 1.00 0.00 C ATOM 417 O3' DG B 6 -6.017 6.586 6.679 1.00 0.00 O ATOM 418 C2' DG B 6 -5.616 4.118 6.601 1.00 0.00 C ATOM 419 C1' DG B 6 -4.589 3.798 7.663 1.00 0.00 C ATOM 420 N9 DG B 6 -3.969 2.467 7.438 1.00 0.00 N ATOM 421 C8 DG B 6 -4.540 1.260 7.104 1.00 0.00 C ATOM 422 N7 DG B 6 -3.690 0.290 6.927 1.00 0.00 N ATOM 423 C5 DG B 6 -2.457 0.900 7.104 1.00 0.00 C ATOM 424 C6 DG B 6 -1.148 0.351 7.002 1.00 0.00 C ATOM 425 O6 DG B 6 -0.840 -0.827 6.856 1.00 0.00 O ATOM 426 N1 DG B 6 -0.158 1.325 7.089 1.00 0.00 N ATOM 427 C2 DG B 6 -0.394 2.669 7.299 1.00 0.00 C ATOM 428 N2 DG B 6 0.666 3.483 7.313 1.00 0.00 N ATOM 429 N3 DG B 6 -1.626 3.175 7.454 1.00 0.00 N ATOM 430 C4 DG B 6 -2.613 2.244 7.342 1.00 0.00 C ATOM 0 H5' DG B 6 -7.065 4.965 10.568 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.279 6.552 9.856 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.455 6.054 8.982 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.432 5.237 6.879 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.275 3.270 6.417 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.142 4.366 5.651 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.690 4.414 7.685 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.607 1.128 6.997 1.00 0.00 H new ATOM 0 H1 DG B 6 0.812 1.024 6.991 1.00 0.00 H new ATOM 0 H21 DG B 6 0.539 4.484 7.465 1.00 0.00 H new ATOM 0 H22 DG B 6 1.602 3.104 7.172 1.00 0.00 H new ATOM 442 P DC B 7 -5.936 6.958 5.106 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.246 8.397 4.953 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.690 5.954 4.323 1.00 0.00 O ATOM 445 O5' DC B 7 -4.357 6.749 4.836 1.00 0.00 O ATOM 446 C5' DC B 7 -3.416 7.381 5.681 1.00 0.00 C ATOM 447 C4' DC B 7 -1.969 7.278 5.195 1.00 0.00 C ATOM 448 O4' DC B 7 -1.476 5.963 5.387 1.00 0.00 O ATOM 449 C3' DC B 7 -1.789 7.703 3.742 1.00 0.00 C ATOM 450 O3' DC B 7 -0.659 8.557 3.640 1.00 0.00 O ATOM 451 C2' DC B 7 -1.610 6.346 3.109 1.00 0.00 C ATOM 452 C1' DC B 7 -0.920 5.503 4.177 1.00 0.00 C ATOM 453 N1 DC B 7 -1.259 4.065 4.013 1.00 0.00 N ATOM 454 C2 DC B 7 -0.267 3.086 3.899 1.00 0.00 C ATOM 455 O2 DC B 7 0.927 3.377 3.863 1.00 0.00 O ATOM 456 N3 DC B 7 -0.657 1.777 3.826 1.00 0.00 N ATOM 457 C4 DC B 7 -1.957 1.435 3.866 1.00 0.00 C ATOM 458 N4 DC B 7 -2.298 0.145 3.816 1.00 0.00 N ATOM 459 C5 DC B 7 -2.983 2.427 3.998 1.00 0.00 C ATOM 460 C6 DC B 7 -2.579 3.708 4.069 1.00 0.00 C ATOM 0 H5' DC B 7 -3.485 6.942 6.676 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.681 8.434 5.778 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.391 7.979 5.797 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.588 8.282 3.279 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.569 5.914 2.823 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.006 6.409 2.204 1.00 0.00 H new ATOM 0 H1' DC B 7 0.165 5.592 4.128 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.281 -0.124 3.846 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.575 -0.571 3.748 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.029 2.159 4.038 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.324 4.483 4.174 1.00 0.00 H new ATOM 472 P DG B 8 -0.200 9.242 2.251 1.00 0.00 P ATOM 473 OP1 DG B 8 0.715 10.362 2.567 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.400 9.485 1.420 1.00 0.00 O ATOM 475 O5' DG B 8 0.663 8.072 1.559 1.00 0.00 O ATOM 476 C5' DG B 8 1.854 7.592 2.150 1.00 0.00 C ATOM 477 C4' DG B 8 2.440 6.443 1.324 1.00 0.00 C ATOM 478 O4' DG B 8 1.694 5.262 1.569 1.00 0.00 O ATOM 479 C3' DG B 8 2.429 6.692 -0.195 1.00 0.00 C ATOM 480 O3' DG B 8 3.684 6.387 -0.771 1.00 0.00 O ATOM 481 C2' DG B 8 1.375 5.698 -0.673 1.00 0.00 C ATOM 482 C1' DG B 8 1.571 4.581 0.343 1.00 0.00 C ATOM 483 N9 DG B 8 0.474 3.589 0.379 1.00 0.00 N ATOM 484 C8 DG B 8 -0.886 3.782 0.348 1.00 0.00 C ATOM 485 N7 DG B 8 -1.580 2.686 0.483 1.00 0.00 N ATOM 486 C5 DG B 8 -0.617 1.687 0.599 1.00 0.00 C ATOM 487 C6 DG B 8 -0.761 0.275 0.764 1.00 0.00 C ATOM 488 O6 DG B 8 -1.799 -0.375 0.862 1.00 0.00 O ATOM 489 N1 DG B 8 0.466 -0.386 0.813 1.00 0.00 N ATOM 490 C2 DG B 8 1.692 0.240 0.705 1.00 0.00 C ATOM 491 N2 DG B 8 2.780 -0.536 0.742 1.00 0.00 N ATOM 492 N3 DG B 8 1.830 1.567 0.568 1.00 0.00 N ATOM 493 C4 DG B 8 0.642 2.231 0.522 1.00 0.00 C ATOM 0 H5' DG B 8 1.651 7.251 3.165 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.581 8.401 2.225 1.00 0.00 H new ATOM 0 H4' DG B 8 3.480 6.353 1.636 1.00 0.00 H new ATOM 0 H3' DG B 8 2.224 7.728 -0.463 1.00 0.00 H new ATOM 0 H2' DG B 8 0.368 6.114 -0.643 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.552 5.365 -1.696 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.650 6.552 -1.736 1.00 0.00 H new ATOM 0 H1' DG B 8 2.440 3.974 0.090 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.340 4.754 0.223 1.00 0.00 H new ATOM 0 H1 DG B 8 0.457 -1.398 0.937 1.00 0.00 H new ATOM 0 H21 DG B 8 3.707 -0.118 0.666 1.00 0.00 H new ATOM 0 H22 DG B 8 2.683 -1.546 0.846 1.00 0.00 H new TER 506 DG B 8