USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -0.242 (180deg=-0.242) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.418 (180deg=-0.418) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.71 (180deg=-0.71) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.461 (180deg=-0.461) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.567 4.999 -8.287 1.00 0.00 P ATOM 2 OP1 DT A 1 5.680 5.638 -9.610 1.00 0.00 O ATOM 3 OP2 DT A 1 4.415 4.114 -7.994 1.00 0.00 O ATOM 4 O5' DT A 1 6.872 4.110 -8.073 1.00 0.00 O ATOM 5 C5' DT A 1 7.063 2.942 -8.841 1.00 0.00 C ATOM 6 C4' DT A 1 8.413 2.295 -8.505 1.00 0.00 C ATOM 7 O4' DT A 1 9.442 3.008 -9.187 1.00 0.00 O ATOM 8 C3' DT A 1 8.785 2.288 -7.014 1.00 0.00 C ATOM 9 O3' DT A 1 9.502 1.096 -6.771 1.00 0.00 O ATOM 10 C2' DT A 1 9.673 3.516 -6.902 1.00 0.00 C ATOM 11 C1' DT A 1 10.387 3.486 -8.245 1.00 0.00 C ATOM 12 N1 DT A 1 10.832 4.847 -8.622 1.00 0.00 N ATOM 13 C2 DT A 1 12.195 5.110 -8.622 1.00 0.00 C ATOM 14 O2 DT A 1 13.057 4.278 -8.374 1.00 0.00 O ATOM 15 N3 DT A 1 12.576 6.391 -8.926 1.00 0.00 N ATOM 16 C4 DT A 1 11.733 7.432 -9.225 1.00 0.00 C ATOM 17 O4 DT A 1 12.223 8.528 -9.469 1.00 0.00 O ATOM 18 C5 DT A 1 10.317 7.095 -9.216 1.00 0.00 C ATOM 19 C7 DT A 1 9.256 8.149 -9.507 1.00 0.00 C ATOM 20 C6 DT A 1 9.920 5.833 -8.920 1.00 0.00 C ATOM 0 H5' DT A 1 7.024 3.187 -9.902 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.256 2.236 -8.647 1.00 0.00 H new ATOM 0 H4' DT A 1 8.318 1.254 -8.815 1.00 0.00 H new ATOM 0 H3' DT A 1 7.956 2.319 -6.307 1.00 0.00 H new ATOM 0 H2' DT A 1 9.096 4.430 -6.763 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.368 3.447 -6.065 1.00 0.00 H new ATOM 0 H1' DT A 1 11.271 2.849 -8.206 1.00 0.00 H new ATOM 0 H3 DT A 1 13.577 6.589 -8.930 1.00 0.00 H new ATOM 0 H71 DT A 1 8.389 7.675 -9.968 1.00 0.00 H new ATOM 0 H72 DT A 1 8.955 8.629 -8.576 1.00 0.00 H new ATOM 0 H73 DT A 1 9.664 8.898 -10.186 1.00 0.00 H new ATOM 0 H6 DT A 1 8.866 5.597 -8.918 1.00 0.00 H new ATOM 33 P DG A 2 9.998 0.702 -5.307 1.00 0.00 P ATOM 34 OP1 DG A 2 11.206 1.477 -4.973 1.00 0.00 O ATOM 35 OP2 DG A 2 10.034 -0.781 -5.208 1.00 0.00 O ATOM 36 O5' DG A 2 8.770 1.211 -4.403 1.00 0.00 O ATOM 37 C5' DG A 2 8.952 1.935 -3.199 1.00 0.00 C ATOM 38 C4' DG A 2 8.400 1.157 -2.006 1.00 0.00 C ATOM 39 O4' DG A 2 7.022 1.449 -1.984 1.00 0.00 O ATOM 40 C3' DG A 2 8.607 -0.351 -2.129 1.00 0.00 C ATOM 41 O3' DG A 2 9.010 -0.901 -0.896 1.00 0.00 O ATOM 42 C2' DG A 2 7.248 -0.829 -2.642 1.00 0.00 C ATOM 43 C1' DG A 2 6.279 0.307 -2.307 1.00 0.00 C ATOM 44 N9 DG A 2 5.344 0.611 -3.403 1.00 0.00 N ATOM 45 C8 DG A 2 5.563 0.733 -4.756 1.00 0.00 C ATOM 46 N7 DG A 2 4.497 1.076 -5.434 1.00 0.00 N ATOM 47 C5 DG A 2 3.510 1.197 -4.449 1.00 0.00 C ATOM 48 C6 DG A 2 2.143 1.595 -4.529 1.00 0.00 C ATOM 49 O6 DG A 2 1.550 1.991 -5.529 1.00 0.00 O ATOM 50 N1 DG A 2 1.487 1.562 -3.321 1.00 0.00 N ATOM 51 C2 DG A 2 2.091 1.237 -2.151 1.00 0.00 C ATOM 52 N2 DG A 2 1.356 1.267 -1.071 1.00 0.00 N ATOM 53 N3 DG A 2 3.373 0.920 -2.029 1.00 0.00 N ATOM 54 C4 DG A 2 4.024 0.914 -3.214 1.00 0.00 C ATOM 0 H5' DG A 2 8.452 2.901 -3.271 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.013 2.136 -3.048 1.00 0.00 H new ATOM 0 H4' DG A 2 8.919 1.449 -1.093 1.00 0.00 H new ATOM 0 H3' DG A 2 9.407 -0.660 -2.801 1.00 0.00 H new ATOM 0 H2' DG A 2 7.276 -1.021 -3.715 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.948 -1.759 -2.159 1.00 0.00 H new ATOM 0 H1' DG A 2 5.670 -0.015 -1.463 1.00 0.00 H new ATOM 0 H8 DG A 2 6.525 0.562 -5.216 1.00 0.00 H new ATOM 0 H1 DG A 2 0.494 1.794 -3.304 1.00 0.00 H new ATOM 0 H21 DG A 2 1.767 1.030 -0.168 1.00 0.00 H new ATOM 0 H22 DG A 2 0.372 1.527 -1.131 1.00 0.00 H new ATOM 66 P DC A 3 9.282 -2.466 -0.752 1.00 0.00 P ATOM 67 OP1 DC A 3 10.119 -2.755 0.436 1.00 0.00 O ATOM 68 OP2 DC A 3 9.665 -3.011 -2.077 1.00 0.00 O ATOM 69 O5' DC A 3 7.829 -2.985 -0.374 1.00 0.00 O ATOM 70 C5' DC A 3 7.155 -2.403 0.727 1.00 0.00 C ATOM 71 C4' DC A 3 5.696 -2.815 0.795 1.00 0.00 C ATOM 72 O4' DC A 3 5.039 -2.144 -0.247 1.00 0.00 O ATOM 73 C3' DC A 3 5.477 -4.311 0.562 1.00 0.00 C ATOM 74 O3' DC A 3 5.150 -5.011 1.736 1.00 0.00 O ATOM 75 C2' DC A 3 4.258 -4.335 -0.334 1.00 0.00 C ATOM 76 C1' DC A 3 3.878 -2.868 -0.502 1.00 0.00 C ATOM 77 N1 DC A 3 3.498 -2.563 -1.886 1.00 0.00 N ATOM 78 C2 DC A 3 2.280 -1.975 -2.122 1.00 0.00 C ATOM 79 O2 DC A 3 1.558 -1.670 -1.185 1.00 0.00 O ATOM 80 N3 DC A 3 1.877 -1.742 -3.394 1.00 0.00 N ATOM 81 C4 DC A 3 2.679 -2.081 -4.391 1.00 0.00 C ATOM 82 N4 DC A 3 2.243 -1.838 -5.602 1.00 0.00 N ATOM 83 C5 DC A 3 3.955 -2.680 -4.185 1.00 0.00 C ATOM 84 C6 DC A 3 4.327 -2.881 -2.913 1.00 0.00 C ATOM 0 H5' DC A 3 7.220 -1.317 0.657 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.655 -2.694 1.651 1.00 0.00 H new ATOM 0 H4' DC A 3 5.325 -2.573 1.791 1.00 0.00 H new ATOM 0 H3' DC A 3 6.378 -4.778 0.164 1.00 0.00 H new ATOM 0 H2' DC A 3 4.481 -4.800 -1.295 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.446 -4.906 0.116 1.00 0.00 H new ATOM 0 H1' DC A 3 3.042 -2.631 0.157 1.00 0.00 H new ATOM 0 H41 DC A 3 2.819 -2.078 -6.409 1.00 0.00 H new ATOM 0 H42 DC A 3 1.328 -1.409 -5.738 1.00 0.00 H new ATOM 0 H5 DC A 3 4.591 -2.958 -5.012 1.00 0.00 H new ATOM 0 H6 DC A 3 5.299 -3.302 -2.702 1.00 0.00 H new ATOM 96 P DT A 4 6.278 -5.698 2.626 1.00 0.00 P ATOM 97 OP1 DT A 4 7.588 -5.043 2.414 1.00 0.00 O ATOM 98 OP2 DT A 4 6.117 -7.145 2.358 1.00 0.00 O ATOM 99 O5' DT A 4 5.755 -5.406 4.095 1.00 0.00 O ATOM 100 C5' DT A 4 5.946 -4.159 4.740 1.00 0.00 C ATOM 101 C4' DT A 4 5.221 -4.184 6.080 1.00 0.00 C ATOM 102 O4' DT A 4 3.886 -3.776 5.868 1.00 0.00 O ATOM 103 C3' DT A 4 5.242 -5.562 6.750 1.00 0.00 C ATOM 104 O3' DT A 4 5.595 -5.452 8.110 1.00 0.00 O ATOM 105 C2' DT A 4 3.792 -6.002 6.593 1.00 0.00 C ATOM 106 C1' DT A 4 3.005 -4.699 6.454 1.00 0.00 C ATOM 107 N1 DT A 4 1.833 -4.841 5.553 1.00 0.00 N ATOM 108 C2 DT A 4 0.610 -5.126 6.139 1.00 0.00 C ATOM 109 O2 DT A 4 0.460 -5.304 7.339 1.00 0.00 O ATOM 110 N3 DT A 4 -0.468 -5.245 5.297 1.00 0.00 N ATOM 111 C4 DT A 4 -0.441 -5.096 3.935 1.00 0.00 C ATOM 112 O4 DT A 4 -1.478 -5.263 3.303 1.00 0.00 O ATOM 113 C5 DT A 4 0.861 -4.762 3.379 1.00 0.00 C ATOM 114 C7 DT A 4 1.009 -4.517 1.885 1.00 0.00 C ATOM 115 C6 DT A 4 1.942 -4.650 4.192 1.00 0.00 C ATOM 0 H5' DT A 4 5.563 -3.350 4.118 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.009 -3.970 4.889 1.00 0.00 H new ATOM 0 H4' DT A 4 5.742 -3.506 6.756 1.00 0.00 H new ATOM 0 H3' DT A 4 5.964 -6.257 6.321 1.00 0.00 H new ATOM 0 H2' DT A 4 3.664 -6.638 5.717 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.457 -6.577 7.456 1.00 0.00 H new ATOM 0 H1' DT A 4 2.635 -4.394 7.433 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.369 -5.464 5.723 1.00 0.00 H new ATOM 0 H71 DT A 4 1.817 -3.806 1.711 1.00 0.00 H new ATOM 0 H72 DT A 4 1.239 -5.457 1.383 1.00 0.00 H new ATOM 0 H73 DT A 4 0.078 -4.112 1.489 1.00 0.00 H new ATOM 0 H6 DT A 4 2.904 -4.407 3.765 1.00 0.00 H new ATOM 128 P DC A 5 7.135 -5.482 8.554 1.00 0.00 P ATOM 129 OP1 DC A 5 7.989 -4.680 7.648 1.00 0.00 O ATOM 130 OP2 DC A 5 7.505 -6.877 8.878 1.00 0.00 O ATOM 131 O5' DC A 5 7.122 -4.776 9.991 1.00 0.00 O ATOM 132 C5' DC A 5 6.551 -3.495 10.183 1.00 0.00 C ATOM 133 C4' DC A 5 7.551 -2.324 10.073 1.00 0.00 C ATOM 134 O4' DC A 5 7.014 -1.308 10.903 1.00 0.00 O ATOM 135 C3' DC A 5 7.571 -1.652 8.691 1.00 0.00 C ATOM 136 O3' DC A 5 8.582 -0.668 8.608 1.00 0.00 O ATOM 137 C2' DC A 5 6.332 -0.775 8.742 1.00 0.00 C ATOM 138 C1' DC A 5 5.898 -0.775 10.211 1.00 0.00 C ATOM 139 N1 DC A 5 5.638 0.589 10.727 1.00 0.00 N ATOM 140 C2 DC A 5 4.435 0.843 11.373 1.00 0.00 C ATOM 141 O2 DC A 5 3.575 -0.025 11.472 1.00 0.00 O ATOM 142 N3 DC A 5 4.213 2.066 11.909 1.00 0.00 N ATOM 143 C4 DC A 5 5.143 2.993 11.820 1.00 0.00 C ATOM 144 N4 DC A 5 4.858 4.148 12.377 1.00 0.00 N ATOM 145 C5 DC A 5 6.398 2.777 11.189 1.00 0.00 C ATOM 146 C6 DC A 5 6.605 1.553 10.657 1.00 0.00 C ATOM 0 H5' DC A 5 6.082 -3.464 11.166 1.00 0.00 H new ATOM 0 H5'' DC A 5 5.760 -3.350 9.448 1.00 0.00 H new ATOM 0 H4' DC A 5 8.542 -2.711 10.310 1.00 0.00 H new ATOM 0 H3' DC A 5 7.673 -2.402 7.907 1.00 0.00 H new ATOM 0 H2' DC A 5 6.551 0.235 8.396 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.545 -1.169 8.099 1.00 0.00 H new ATOM 0 H1' DC A 5 4.973 -1.338 10.337 1.00 0.00 H new ATOM 0 H41 DC A 5 5.535 4.911 12.345 1.00 0.00 H new ATOM 0 H42 DC A 5 3.960 4.282 12.842 1.00 0.00 H new ATOM 0 H5 DC A 5 7.148 3.552 11.138 1.00 0.00 H new ATOM 0 H6 DC A 5 7.544 1.333 10.171 1.00 0.00 H new ATOM 158 P DG A 6 9.385 -0.482 7.248 1.00 0.00 P ATOM 159 OP1 DG A 6 10.342 -1.612 7.173 1.00 0.00 O ATOM 160 OP2 DG A 6 9.834 0.926 7.081 1.00 0.00 O ATOM 161 O5' DG A 6 8.290 -0.746 6.112 1.00 0.00 O ATOM 162 C5' DG A 6 8.676 -1.370 4.903 1.00 0.00 C ATOM 163 C4' DG A 6 8.051 -0.723 3.669 1.00 0.00 C ATOM 164 O4' DG A 6 6.712 -1.159 3.621 1.00 0.00 O ATOM 165 C3' DG A 6 8.105 0.801 3.750 1.00 0.00 C ATOM 166 O3' DG A 6 8.719 1.367 2.611 1.00 0.00 O ATOM 167 C2' DG A 6 6.645 1.183 3.966 1.00 0.00 C ATOM 168 C1' DG A 6 5.855 -0.052 3.535 1.00 0.00 C ATOM 169 N9 DG A 6 4.729 -0.299 4.436 1.00 0.00 N ATOM 170 C8 DG A 6 4.725 -0.306 5.798 1.00 0.00 C ATOM 171 N7 DG A 6 3.577 -0.615 6.332 1.00 0.00 N ATOM 172 C5 DG A 6 2.766 -0.867 5.219 1.00 0.00 C ATOM 173 C6 DG A 6 1.408 -1.292 5.109 1.00 0.00 C ATOM 174 O6 DG A 6 0.617 -1.584 5.999 1.00 0.00 O ATOM 175 N1 DG A 6 0.979 -1.399 3.805 1.00 0.00 N ATOM 176 C2 DG A 6 1.767 -1.156 2.726 1.00 0.00 C ATOM 177 N2 DG A 6 1.230 -1.290 1.541 1.00 0.00 N ATOM 178 N3 DG A 6 3.042 -0.810 2.788 1.00 0.00 N ATOM 179 C4 DG A 6 3.473 -0.676 4.062 1.00 0.00 C ATOM 0 H5' DG A 6 8.392 -2.422 4.937 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.762 -1.335 4.814 1.00 0.00 H new ATOM 0 H4' DG A 6 8.599 -1.010 2.772 1.00 0.00 H new ATOM 0 H3' DG A 6 8.730 1.189 4.554 1.00 0.00 H new ATOM 0 H2' DG A 6 6.451 1.433 5.009 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.372 2.055 3.372 1.00 0.00 H new ATOM 0 H1' DG A 6 5.478 0.106 2.525 1.00 0.00 H new ATOM 0 H8 DG A 6 5.600 -0.075 6.387 1.00 0.00 H new ATOM 0 H1 DG A 6 0.012 -1.677 3.640 1.00 0.00 H new ATOM 0 H21 DG A 6 1.789 -1.117 0.705 1.00 0.00 H new ATOM 0 H22 DG A 6 0.253 -1.568 1.453 1.00 0.00 H new ATOM 191 P DC A 7 8.903 2.951 2.509 1.00 0.00 P ATOM 192 OP1 DC A 7 9.875 3.308 1.447 1.00 0.00 O ATOM 193 OP2 DC A 7 9.091 3.455 3.897 1.00 0.00 O ATOM 194 O5' DC A 7 7.484 3.378 1.924 1.00 0.00 O ATOM 195 C5' DC A 7 7.027 2.756 0.729 1.00 0.00 C ATOM 196 C4' DC A 7 5.584 3.066 0.375 1.00 0.00 C ATOM 197 O4' DC A 7 4.797 2.354 1.294 1.00 0.00 O ATOM 198 C3' DC A 7 5.219 4.543 0.508 1.00 0.00 C ATOM 199 O3' DC A 7 5.034 5.148 -0.744 1.00 0.00 O ATOM 200 C2' DC A 7 3.870 4.486 1.187 1.00 0.00 C ATOM 201 C1' DC A 7 3.564 2.997 1.319 1.00 0.00 C ATOM 202 N1 DC A 7 2.973 2.699 2.628 1.00 0.00 N ATOM 203 C2 DC A 7 1.748 2.080 2.683 1.00 0.00 C ATOM 204 O2 DC A 7 1.206 1.710 1.651 1.00 0.00 O ATOM 205 N3 DC A 7 1.148 1.870 3.880 1.00 0.00 N ATOM 206 C4 DC A 7 1.773 2.263 4.982 1.00 0.00 C ATOM 207 N4 DC A 7 1.171 2.014 6.119 1.00 0.00 N ATOM 208 C5 DC A 7 3.047 2.898 4.962 1.00 0.00 C ATOM 209 C6 DC A 7 3.612 3.078 3.761 1.00 0.00 C ATOM 0 H5' DC A 7 7.140 1.677 0.829 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.666 3.068 -0.097 1.00 0.00 H new ATOM 0 H4' DC A 7 5.422 2.793 -0.668 1.00 0.00 H new ATOM 0 H3' DC A 7 5.992 5.107 1.030 1.00 0.00 H new ATOM 0 H2' DC A 7 3.897 4.972 2.162 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.108 4.996 0.597 1.00 0.00 H new ATOM 0 H1' DC A 7 2.879 2.686 0.530 1.00 0.00 H new ATOM 0 H41 DC A 7 1.606 2.294 6.998 1.00 0.00 H new ATOM 0 H42 DC A 7 0.268 1.540 6.125 1.00 0.00 H new ATOM 0 H5 DC A 7 3.534 3.219 5.871 1.00 0.00 H new ATOM 0 H6 DC A 7 4.590 3.531 3.695 1.00 0.00 H new ATOM 221 P DT A 8 6.226 5.898 -1.490 1.00 0.00 P ATOM 222 OP1 DT A 8 7.498 5.165 -1.258 1.00 0.00 O ATOM 223 OP2 DT A 8 6.149 7.330 -1.152 1.00 0.00 O ATOM 224 O5' DT A 8 5.763 5.694 -3.010 1.00 0.00 O ATOM 225 C5' DT A 8 6.074 4.526 -3.741 1.00 0.00 C ATOM 226 C4' DT A 8 5.409 4.572 -5.131 1.00 0.00 C ATOM 227 O4' DT A 8 4.040 4.184 -5.054 1.00 0.00 O ATOM 228 C3' DT A 8 5.458 5.983 -5.758 1.00 0.00 C ATOM 229 O3' DT A 8 5.699 6.137 -7.154 1.00 0.00 O ATOM 230 C2' DT A 8 4.076 6.522 -5.422 1.00 0.00 C ATOM 231 C1' DT A 8 3.218 5.268 -5.462 1.00 0.00 C ATOM 232 N1 DT A 8 2.009 5.358 -4.615 1.00 0.00 N ATOM 233 C2 DT A 8 0.833 5.769 -5.229 1.00 0.00 C ATOM 234 O2 DT A 8 0.762 6.132 -6.394 1.00 0.00 O ATOM 235 N3 DT A 8 -0.304 5.751 -4.468 1.00 0.00 N ATOM 236 C4 DT A 8 -0.381 5.354 -3.159 1.00 0.00 C ATOM 237 O4 DT A 8 -1.476 5.365 -2.608 1.00 0.00 O ATOM 238 C5 DT A 8 0.883 4.946 -2.566 1.00 0.00 C ATOM 239 C7 DT A 8 0.921 4.483 -1.123 1.00 0.00 C ATOM 240 C6 DT A 8 2.026 4.966 -3.299 1.00 0.00 C ATOM 0 H5' DT A 8 5.733 3.646 -3.196 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.155 4.434 -3.850 1.00 0.00 H new ATOM 0 H4' DT A 8 5.973 3.879 -5.755 1.00 0.00 H new ATOM 0 H3' DT A 8 6.333 6.495 -5.358 1.00 0.00 H new ATOM 0 H2' DT A 8 4.053 6.999 -4.442 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.743 7.265 -6.146 1.00 0.00 H new ATOM 0 H1' DT A 8 2.845 5.128 -6.477 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.168 6.060 -4.913 1.00 0.00 H new ATOM 0 H71 DT A 8 1.723 3.756 -0.995 1.00 0.00 H new ATOM 0 H72 DT A 8 1.099 5.338 -0.471 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.032 4.021 -0.864 1.00 0.00 H new ATOM 0 H6 DT A 8 2.959 4.670 -2.842 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -4.243 -4.621 -9.365 1.00 0.00 P ATOM 255 OP1 DT B 1 -4.538 -5.359 -10.612 1.00 0.00 O ATOM 256 OP2 DT B 1 -2.912 -4.023 -9.155 1.00 0.00 O ATOM 257 O5' DT B 1 -5.347 -3.485 -9.208 1.00 0.00 O ATOM 258 C5' DT B 1 -5.272 -2.274 -9.926 1.00 0.00 C ATOM 259 C4' DT B 1 -6.654 -1.600 -9.893 1.00 0.00 C ATOM 260 O4' DT B 1 -7.498 -2.258 -10.838 1.00 0.00 O ATOM 261 C3' DT B 1 -7.371 -1.672 -8.530 1.00 0.00 C ATOM 262 O3' DT B 1 -8.112 -0.482 -8.347 1.00 0.00 O ATOM 263 C2' DT B 1 -8.280 -2.877 -8.709 1.00 0.00 C ATOM 264 C1' DT B 1 -8.648 -2.759 -10.179 1.00 0.00 C ATOM 265 N1 DT B 1 -9.024 -4.090 -10.712 1.00 0.00 N ATOM 266 C2 DT B 1 -10.371 -4.353 -10.909 1.00 0.00 C ATOM 267 O2 DT B 1 -11.265 -3.536 -10.729 1.00 0.00 O ATOM 268 N3 DT B 1 -10.700 -5.615 -11.333 1.00 0.00 N ATOM 269 C4 DT B 1 -9.819 -6.640 -11.568 1.00 0.00 C ATOM 270 O4 DT B 1 -10.264 -7.720 -11.940 1.00 0.00 O ATOM 271 C5 DT B 1 -8.422 -6.309 -11.338 1.00 0.00 C ATOM 272 C7 DT B 1 -7.323 -7.341 -11.556 1.00 0.00 C ATOM 273 C6 DT B 1 -8.077 -5.064 -10.928 1.00 0.00 C ATOM 0 H5' DT B 1 -4.967 -2.462 -10.955 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.520 -1.619 -9.486 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.479 -0.548 -10.116 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.718 -1.767 -7.663 1.00 0.00 H new ATOM 0 H2' DT B 1 -7.769 -3.814 -8.487 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.156 -2.831 -8.061 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.500 -2.096 -10.331 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.689 -5.809 -11.488 1.00 0.00 H new ATOM 0 H71 DT B 1 -6.404 -6.837 -11.856 1.00 0.00 H new ATOM 0 H72 DT B 1 -7.150 -7.889 -10.630 1.00 0.00 H new ATOM 0 H73 DT B 1 -7.627 -8.037 -12.338 1.00 0.00 H new ATOM 0 H6 DT B 1 -7.035 -4.831 -10.767 1.00 0.00 H new ATOM 286 P DG B 2 -8.902 -0.199 -6.984 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.165 -0.959 -6.977 1.00 0.00 O ATOM 288 OP2 DG B 2 -8.938 1.268 -6.748 1.00 0.00 O ATOM 289 O5' DG B 2 -7.906 -0.825 -5.890 1.00 0.00 O ATOM 290 C5' DG B 2 -8.348 -1.649 -4.828 1.00 0.00 C ATOM 291 C4' DG B 2 -7.965 -1.024 -3.489 1.00 0.00 C ATOM 292 O4' DG B 2 -6.602 -1.330 -3.294 1.00 0.00 O ATOM 293 C3' DG B 2 -8.162 0.490 -3.478 1.00 0.00 C ATOM 294 O3' DG B 2 -8.764 0.901 -2.272 1.00 0.00 O ATOM 295 C2' DG B 2 -6.746 1.014 -3.706 1.00 0.00 C ATOM 296 C1' DG B 2 -5.833 -0.157 -3.334 1.00 0.00 C ATOM 297 N9 DG B 2 -4.708 -0.307 -4.274 1.00 0.00 N ATOM 298 C8 DG B 2 -4.672 -0.213 -5.643 1.00 0.00 C ATOM 299 N7 DG B 2 -3.471 -0.309 -6.145 1.00 0.00 N ATOM 300 C5 DG B 2 -2.662 -0.546 -5.031 1.00 0.00 C ATOM 301 C6 DG B 2 -1.259 -0.778 -4.904 1.00 0.00 C ATOM 302 O6 DG B 2 -0.397 -0.792 -5.775 1.00 0.00 O ATOM 303 N1 DG B 2 -0.861 -1.016 -3.606 1.00 0.00 N ATOM 304 C2 DG B 2 -1.701 -0.979 -2.539 1.00 0.00 C ATOM 305 N2 DG B 2 -1.180 -1.162 -1.352 1.00 0.00 N ATOM 306 N3 DG B 2 -3.002 -0.753 -2.618 1.00 0.00 N ATOM 307 C4 DG B 2 -3.420 -0.563 -3.891 1.00 0.00 C ATOM 0 H5' DG B 2 -7.903 -2.640 -4.917 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.429 -1.778 -4.883 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.600 -1.420 -2.696 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.844 0.877 -4.236 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.598 1.317 -4.742 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.542 1.887 -3.086 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.396 0.041 -2.356 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.555 -0.073 -6.248 1.00 0.00 H new ATOM 0 H1 DG B 2 0.121 -1.232 -3.437 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.776 -1.142 -0.525 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.178 -1.325 -1.255 1.00 0.00 H new ATOM 319 P DC B 3 -9.097 2.437 -2.011 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.116 2.569 -0.943 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.294 3.111 -3.319 1.00 0.00 O ATOM 322 O5' DC B 3 -7.728 2.930 -1.373 1.00 0.00 O ATOM 323 C5' DC B 3 -7.192 2.232 -0.265 1.00 0.00 C ATOM 324 C4' DC B 3 -5.805 2.711 0.127 1.00 0.00 C ATOM 325 O4' DC B 3 -4.954 2.148 -0.842 1.00 0.00 O ATOM 326 C3' DC B 3 -5.617 4.230 0.054 1.00 0.00 C ATOM 327 O3' DC B 3 -5.558 4.868 1.308 1.00 0.00 O ATOM 328 C2' DC B 3 -4.261 4.356 -0.614 1.00 0.00 C ATOM 329 C1' DC B 3 -3.801 2.923 -0.857 1.00 0.00 C ATOM 330 N1 DC B 3 -3.191 2.772 -2.184 1.00 0.00 N ATOM 331 C2 DC B 3 -1.916 2.268 -2.270 1.00 0.00 C ATOM 332 O2 DC B 3 -1.361 1.839 -1.268 1.00 0.00 O ATOM 333 N3 DC B 3 -1.271 2.245 -3.462 1.00 0.00 N ATOM 334 C4 DC B 3 -1.915 2.675 -4.538 1.00 0.00 C ATOM 335 N4 DC B 3 -1.253 2.627 -5.668 1.00 0.00 N ATOM 336 C5 DC B 3 -3.260 3.143 -4.499 1.00 0.00 C ATOM 337 C6 DC B 3 -3.858 3.162 -3.299 1.00 0.00 C ATOM 0 H5' DC B 3 -7.150 1.168 -0.499 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.863 2.344 0.587 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.612 2.424 1.161 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.456 4.700 -0.460 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.333 4.911 -1.550 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.557 4.893 0.022 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.066 2.636 -0.104 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.694 2.944 -6.531 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.297 2.273 -5.684 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.773 3.467 -5.393 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.883 3.492 -3.219 1.00 0.00 H new ATOM 349 P DT B 4 -6.881 5.259 2.116 1.00 0.00 P ATOM 350 OP1 DT B 4 -8.013 4.362 1.806 1.00 0.00 O ATOM 351 OP2 DT B 4 -7.118 6.719 2.085 1.00 0.00 O ATOM 352 O5' DT B 4 -6.466 5.018 3.627 1.00 0.00 O ATOM 353 C5' DT B 4 -6.516 3.751 4.242 1.00 0.00 C ATOM 354 C4' DT B 4 -5.776 3.807 5.579 1.00 0.00 C ATOM 355 O4' DT B 4 -4.467 3.333 5.382 1.00 0.00 O ATOM 356 C3' DT B 4 -5.701 5.187 6.258 1.00 0.00 C ATOM 357 O3' DT B 4 -6.495 5.296 7.418 1.00 0.00 O ATOM 358 C2' DT B 4 -4.232 5.318 6.626 1.00 0.00 C ATOM 359 C1' DT B 4 -3.560 4.013 6.211 1.00 0.00 C ATOM 360 N1 DT B 4 -2.345 4.293 5.414 1.00 0.00 N ATOM 361 C2 DT B 4 -1.188 4.587 6.114 1.00 0.00 C ATOM 362 O2 DT B 4 -1.129 4.634 7.336 1.00 0.00 O ATOM 363 N3 DT B 4 -0.071 4.868 5.369 1.00 0.00 N ATOM 364 C4 DT B 4 0.006 4.831 4.000 1.00 0.00 C ATOM 365 O4 DT B 4 1.083 5.069 3.465 1.00 0.00 O ATOM 366 C5 DT B 4 -1.239 4.506 3.324 1.00 0.00 C ATOM 367 C7 DT B 4 -1.278 4.359 1.814 1.00 0.00 C ATOM 368 C6 DT B 4 -2.365 4.267 4.039 1.00 0.00 C ATOM 0 H5' DT B 4 -6.062 3.001 3.594 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.552 3.451 4.399 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.363 3.188 6.258 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.078 5.966 5.595 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.779 6.167 6.114 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.115 5.491 7.696 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.287 3.435 7.094 1.00 0.00 H new ATOM 0 H3 DT B 4 0.775 5.127 5.877 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.052 3.643 1.538 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.499 5.325 1.360 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.311 4.003 1.458 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.289 4.054 3.523 1.00 0.00 H new ATOM 381 P DC B 5 -8.068 5.561 7.307 1.00 0.00 P ATOM 382 OP1 DC B 5 -8.333 6.233 6.011 1.00 0.00 O ATOM 383 OP2 DC B 5 -8.479 6.223 8.568 1.00 0.00 O ATOM 384 O5' DC B 5 -8.707 4.092 7.294 1.00 0.00 O ATOM 385 C5' DC B 5 -8.664 3.297 8.463 1.00 0.00 C ATOM 386 C4' DC B 5 -9.411 1.974 8.252 1.00 0.00 C ATOM 387 O4' DC B 5 -9.728 1.469 9.536 1.00 0.00 O ATOM 388 C3' DC B 5 -8.480 0.906 7.670 1.00 0.00 C ATOM 389 O3' DC B 5 -9.183 -0.256 7.276 1.00 0.00 O ATOM 390 C2' DC B 5 -7.726 0.420 8.913 1.00 0.00 C ATOM 391 C1' DC B 5 -8.508 1.009 10.093 1.00 0.00 C ATOM 392 N1 DC B 5 -8.801 -0.009 11.125 1.00 0.00 N ATOM 393 C2 DC B 5 -8.404 0.225 12.436 1.00 0.00 C ATOM 394 O2 DC B 5 -7.813 1.254 12.743 1.00 0.00 O ATOM 395 N3 DC B 5 -8.680 -0.699 13.386 1.00 0.00 N ATOM 396 C4 DC B 5 -9.327 -1.799 13.058 1.00 0.00 C ATOM 397 N4 DC B 5 -9.554 -2.651 14.031 1.00 0.00 N ATOM 398 C5 DC B 5 -9.779 -2.068 11.738 1.00 0.00 C ATOM 399 C6 DC B 5 -9.494 -1.140 10.800 1.00 0.00 C ATOM 0 H5' DC B 5 -9.109 3.842 9.295 1.00 0.00 H new ATOM 0 H5'' DC B 5 -7.627 3.095 8.733 1.00 0.00 H new ATOM 0 H4' DC B 5 -10.265 2.162 7.601 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.916 1.312 6.831 1.00 0.00 H new ATOM 0 H2' DC B 5 -7.698 -0.669 8.960 1.00 0.00 H new ATOM 0 H2'' DC B 5 -6.692 0.766 8.910 1.00 0.00 H new ATOM 0 H1' DC B 5 -7.932 1.795 10.581 1.00 0.00 H new ATOM 0 H41 DC B 5 -10.050 -3.522 13.841 1.00 0.00 H new ATOM 0 H42 DC B 5 -9.234 -2.442 14.977 1.00 0.00 H new ATOM 0 H5 DC B 5 -10.323 -2.969 11.497 1.00 0.00 H new ATOM 0 H6 DC B 5 -9.818 -1.294 9.781 1.00 0.00 H new ATOM 411 P DG B 6 -9.980 -0.296 5.894 1.00 0.00 P ATOM 412 OP1 DG B 6 -11.182 0.564 6.017 1.00 0.00 O ATOM 413 OP2 DG B 6 -10.137 -1.712 5.478 1.00 0.00 O ATOM 414 O5' DG B 6 -8.945 0.405 4.891 1.00 0.00 O ATOM 415 C5' DG B 6 -9.358 1.066 3.709 1.00 0.00 C ATOM 416 C4' DG B 6 -8.606 0.501 2.503 1.00 0.00 C ATOM 417 O4' DG B 6 -7.269 0.945 2.627 1.00 0.00 O ATOM 418 C3' DG B 6 -8.643 -1.026 2.466 1.00 0.00 C ATOM 419 O3' DG B 6 -9.020 -1.492 1.186 1.00 0.00 O ATOM 420 C2' DG B 6 -7.235 -1.409 2.914 1.00 0.00 C ATOM 421 C1' DG B 6 -6.393 -0.153 2.679 1.00 0.00 C ATOM 422 N9 DG B 6 -5.420 0.057 3.764 1.00 0.00 N ATOM 423 C8 DG B 6 -5.603 -0.008 5.121 1.00 0.00 C ATOM 424 N7 DG B 6 -4.523 0.221 5.815 1.00 0.00 N ATOM 425 C5 DG B 6 -3.560 0.505 4.840 1.00 0.00 C ATOM 426 C6 DG B 6 -2.187 0.888 4.942 1.00 0.00 C ATOM 427 O6 DG B 6 -1.514 1.081 5.948 1.00 0.00 O ATOM 428 N1 DG B 6 -1.583 1.081 3.718 1.00 0.00 N ATOM 429 C2 DG B 6 -2.222 0.937 2.530 1.00 0.00 C ATOM 430 N2 DG B 6 -1.516 1.134 1.445 1.00 0.00 N ATOM 431 N3 DG B 6 -3.499 0.611 2.397 1.00 0.00 N ATOM 432 C4 DG B 6 -4.110 0.414 3.589 1.00 0.00 C ATOM 0 H5' DG B 6 -9.170 2.136 3.796 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.432 0.941 3.569 1.00 0.00 H new ATOM 0 H4' DG B 6 -9.072 0.844 1.579 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.390 -1.486 3.112 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.221 -1.704 3.963 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.854 -2.254 2.340 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.835 -0.265 1.750 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.557 -0.229 5.575 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.599 1.348 3.705 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.952 1.037 0.528 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.530 1.384 1.517 1.00 0.00 H new ATOM 444 P DC B 7 -9.150 -3.058 0.894 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.946 -3.306 -0.333 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.497 -3.739 2.167 1.00 0.00 O ATOM 447 O5' DC B 7 -7.656 -3.408 0.500 1.00 0.00 O ATOM 448 C5' DC B 7 -7.038 -2.692 -0.552 1.00 0.00 C ATOM 449 C4' DC B 7 -5.562 -3.014 -0.673 1.00 0.00 C ATOM 450 O4' DC B 7 -4.966 -2.390 0.434 1.00 0.00 O ATOM 451 C3' DC B 7 -5.245 -4.506 -0.561 1.00 0.00 C ATOM 452 O3' DC B 7 -4.859 -5.075 -1.783 1.00 0.00 O ATOM 453 C2' DC B 7 -4.031 -4.521 0.341 1.00 0.00 C ATOM 454 C1' DC B 7 -3.760 -3.050 0.621 1.00 0.00 C ATOM 455 N1 DC B 7 -3.379 -2.856 2.022 1.00 0.00 N ATOM 456 C2 DC B 7 -2.169 -2.273 2.293 1.00 0.00 C ATOM 457 O2 DC B 7 -1.481 -1.857 1.373 1.00 0.00 O ATOM 458 N3 DC B 7 -1.745 -2.157 3.574 1.00 0.00 N ATOM 459 C4 DC B 7 -2.526 -2.607 4.545 1.00 0.00 C ATOM 460 N4 DC B 7 -2.081 -2.455 5.768 1.00 0.00 N ATOM 461 C5 DC B 7 -3.794 -3.207 4.303 1.00 0.00 C ATOM 462 C6 DC B 7 -4.181 -3.299 3.023 1.00 0.00 C ATOM 0 H5' DC B 7 -7.162 -1.622 -0.383 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.538 -2.927 -1.492 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.207 -2.684 -1.649 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.114 -5.065 -0.213 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.224 -5.073 1.261 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.179 -4.998 -0.144 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.962 -2.686 -0.026 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.638 -2.782 6.558 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.178 -2.010 5.930 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.413 -3.570 5.110 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.142 -3.731 2.786 1.00 0.00 H new ATOM 474 P DT B 8 -5.922 -5.691 -2.788 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.226 -4.992 -2.717 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.871 -7.167 -2.694 1.00 0.00 O ATOM 477 O5' DT B 8 -5.211 -5.392 -4.186 1.00 0.00 O ATOM 478 C5' DT B 8 -5.427 -4.185 -4.898 1.00 0.00 C ATOM 479 C4' DT B 8 -4.471 -4.059 -6.089 1.00 0.00 C ATOM 480 O4' DT B 8 -3.250 -3.536 -5.609 1.00 0.00 O ATOM 481 C3' DT B 8 -4.181 -5.396 -6.794 1.00 0.00 C ATOM 482 O3' DT B 8 -4.613 -5.584 -8.129 1.00 0.00 O ATOM 483 C2' DT B 8 -2.688 -5.582 -6.605 1.00 0.00 C ATOM 484 C1' DT B 8 -2.166 -4.203 -6.215 1.00 0.00 C ATOM 485 N1 DT B 8 -1.089 -4.365 -5.218 1.00 0.00 N ATOM 486 C2 DT B 8 0.195 -4.585 -5.689 1.00 0.00 C ATOM 487 O2 DT B 8 0.497 -4.610 -6.872 1.00 0.00 O ATOM 488 N3 DT B 8 1.163 -4.818 -4.747 1.00 0.00 N ATOM 489 C4 DT B 8 0.977 -4.801 -3.389 1.00 0.00 C ATOM 490 O4 DT B 8 1.940 -5.016 -2.661 1.00 0.00 O ATOM 491 C5 DT B 8 -0.385 -4.534 -2.959 1.00 0.00 C ATOM 492 C7 DT B 8 -0.705 -4.376 -1.484 1.00 0.00 C ATOM 493 C6 DT B 8 -1.367 -4.349 -3.875 1.00 0.00 C ATOM 0 H5' DT B 8 -5.290 -3.336 -4.228 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.457 -4.149 -5.251 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.949 -3.412 -6.824 1.00 0.00 H new ATOM 0 H3' DT B 8 -4.800 -6.169 -6.340 1.00 0.00 H new ATOM 0 H2' DT B 8 -2.477 -6.318 -5.829 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.216 -5.939 -7.520 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.780 -3.656 -7.075 1.00 0.00 H new ATOM 0 H3 DT B 8 2.103 -5.022 -5.086 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.550 -3.698 -1.366 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.958 -5.348 -1.060 1.00 0.00 H new ATOM 0 H73 DT B 8 0.163 -3.968 -0.965 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.382 -4.187 -3.543 1.00 0.00 H new TER 506 DT B 8