USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -1.65 (180deg=-2.07) USER MOD Single : A 7 DT C7 :methyl -30:sc=-0.00129 (180deg=-0.58) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.244 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.482 3.234 -13.326 1.00 0.00 O ATOM 2 C5' DG A 1 33.331 3.655 -14.062 1.00 0.00 C ATOM 3 C4' DG A 1 32.187 2.647 -13.946 1.00 0.00 C ATOM 4 O4' DG A 1 32.573 1.398 -14.544 1.00 0.00 O ATOM 5 C3' DG A 1 31.751 2.350 -12.510 1.00 0.00 C ATOM 6 O3' DG A 1 30.320 2.224 -12.470 1.00 0.00 O ATOM 7 C2' DG A 1 32.420 1.016 -12.210 1.00 0.00 C ATOM 8 C1' DG A 1 32.443 0.353 -13.574 1.00 0.00 C ATOM 9 N9 DG A 1 33.556 -0.595 -13.770 1.00 0.00 N ATOM 10 C8 DG A 1 34.894 -0.422 -13.525 1.00 0.00 C ATOM 11 N7 DG A 1 35.620 -1.470 -13.801 1.00 0.00 N ATOM 12 C5 DG A 1 34.696 -2.404 -14.261 1.00 0.00 C ATOM 13 C6 DG A 1 34.891 -3.738 -14.712 1.00 0.00 C ATOM 14 O6 DG A 1 35.940 -4.373 -14.791 1.00 0.00 O ATOM 15 N1 DG A 1 33.692 -4.328 -15.088 1.00 0.00 N ATOM 16 C2 DG A 1 32.460 -3.714 -15.037 1.00 0.00 C ATOM 17 N2 DG A 1 31.419 -4.432 -15.437 1.00 0.00 N ATOM 18 N3 DG A 1 32.276 -2.466 -14.613 1.00 0.00 N ATOM 19 C4 DG A 1 33.433 -1.874 -14.244 1.00 0.00 C ATOM 0 H5' DG A 1 33.597 3.785 -15.111 1.00 0.00 H new ATOM 0 H5'' DG A 1 32.999 4.626 -13.695 1.00 0.00 H new ATOM 0 H4' DG A 1 31.345 3.111 -14.460 1.00 0.00 H new ATOM 0 H3' DG A 1 32.024 3.124 -11.793 1.00 0.00 H new ATOM 0 H2' DG A 1 33.423 1.146 -11.804 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.855 0.432 -11.483 1.00 0.00 H new ATOM 0 HO5' DG A 1 35.194 3.900 -13.423 1.00 0.00 H new ATOM 0 H1' DG A 1 31.525 -0.227 -13.672 1.00 0.00 H new ATOM 0 H8 DG A 1 35.309 0.497 -13.139 1.00 0.00 H new ATOM 0 H1 DG A 1 33.726 -5.289 -15.428 1.00 0.00 H new ATOM 0 H21 DG A 1 30.483 -4.027 -15.420 1.00 0.00 H new ATOM 0 H22 DG A 1 31.554 -5.389 -15.761 1.00 0.00 H new ATOM 32 P DT A 2 29.547 1.577 -11.208 1.00 0.00 P ATOM 33 OP1 DT A 2 28.254 2.282 -11.048 1.00 0.00 O ATOM 34 OP2 DT A 2 30.485 1.497 -10.064 1.00 0.00 O ATOM 35 O5' DT A 2 29.239 0.079 -11.720 1.00 0.00 O ATOM 36 C5' DT A 2 28.405 -0.128 -12.867 1.00 0.00 C ATOM 37 C4' DT A 2 27.868 -1.556 -12.942 1.00 0.00 C ATOM 38 O4' DT A 2 28.934 -2.470 -13.242 1.00 0.00 O ATOM 39 C3' DT A 2 27.198 -2.039 -11.657 1.00 0.00 C ATOM 40 O3' DT A 2 26.034 -2.807 -11.989 1.00 0.00 O ATOM 41 C2' DT A 2 28.252 -2.929 -11.016 1.00 0.00 C ATOM 42 C1' DT A 2 29.005 -3.470 -12.222 1.00 0.00 C ATOM 43 N1 DT A 2 30.434 -3.756 -11.973 1.00 0.00 N ATOM 44 C2 DT A 2 30.903 -5.013 -12.316 1.00 0.00 C ATOM 45 O2 DT A 2 30.169 -5.878 -12.783 1.00 0.00 O ATOM 46 N3 DT A 2 32.248 -5.244 -12.082 1.00 0.00 N ATOM 47 C4 DT A 2 33.144 -4.341 -11.535 1.00 0.00 C ATOM 48 O4 DT A 2 34.317 -4.652 -11.351 1.00 0.00 O ATOM 49 C5 DT A 2 32.564 -3.058 -11.209 1.00 0.00 C ATOM 50 C7 DT A 2 33.443 -1.969 -10.600 1.00 0.00 C ATOM 51 C6 DT A 2 31.259 -2.807 -11.432 1.00 0.00 C ATOM 0 H5' DT A 2 28.973 0.092 -13.771 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.569 0.571 -12.837 1.00 0.00 H new ATOM 0 H4' DT A 2 27.113 -1.535 -13.727 1.00 0.00 H new ATOM 0 H3' DT A 2 26.877 -1.230 -11.002 1.00 0.00 H new ATOM 0 H2' DT A 2 28.905 -2.368 -10.348 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.804 -3.728 -10.426 1.00 0.00 H new ATOM 0 H1' DT A 2 28.541 -4.418 -12.495 1.00 0.00 H new ATOM 0 H3 DT A 2 32.612 -6.163 -12.336 1.00 0.00 H new ATOM 0 H71 DT A 2 34.239 -2.429 -10.014 1.00 0.00 H new ATOM 0 H72 DT A 2 33.881 -1.367 -11.396 1.00 0.00 H new ATOM 0 H73 DT A 2 32.838 -1.332 -9.954 1.00 0.00 H new ATOM 0 H6 DT A 2 30.856 -1.838 -11.179 1.00 0.00 H new ATOM 64 P DC A 3 25.139 -3.504 -10.844 1.00 0.00 P ATOM 65 OP1 DC A 3 23.718 -3.419 -11.250 1.00 0.00 O ATOM 66 OP2 DC A 3 25.562 -2.970 -9.528 1.00 0.00 O ATOM 67 O5' DC A 3 25.596 -5.047 -10.934 1.00 0.00 O ATOM 68 C5' DC A 3 25.185 -5.859 -12.042 1.00 0.00 C ATOM 69 C4' DC A 3 25.458 -7.339 -11.793 1.00 0.00 C ATOM 70 O4' DC A 3 26.873 -7.570 -11.765 1.00 0.00 O ATOM 71 C3' DC A 3 24.875 -7.864 -10.482 1.00 0.00 C ATOM 72 O3' DC A 3 24.309 -9.165 -10.693 1.00 0.00 O ATOM 73 C2' DC A 3 26.077 -7.961 -9.554 1.00 0.00 C ATOM 74 C1' DC A 3 27.248 -8.146 -10.511 1.00 0.00 C ATOM 75 N1 DC A 3 28.500 -7.487 -10.076 1.00 0.00 N ATOM 76 C2 DC A 3 29.651 -8.261 -10.008 1.00 0.00 C ATOM 77 O2 DC A 3 29.619 -9.456 -10.295 1.00 0.00 O ATOM 78 N3 DC A 3 30.809 -7.660 -9.622 1.00 0.00 N ATOM 79 C4 DC A 3 30.845 -6.360 -9.315 1.00 0.00 C ATOM 80 N4 DC A 3 32.003 -5.813 -8.943 1.00 0.00 N ATOM 81 C5 DC A 3 29.665 -5.557 -9.382 1.00 0.00 C ATOM 82 C6 DC A 3 28.519 -6.156 -9.765 1.00 0.00 C ATOM 0 H5' DC A 3 25.711 -5.539 -12.942 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.121 -5.712 -12.225 1.00 0.00 H new ATOM 0 H4' DC A 3 24.971 -7.871 -12.610 1.00 0.00 H new ATOM 0 H3' DC A 3 24.086 -7.227 -10.081 1.00 0.00 H new ATOM 0 H2' DC A 3 26.191 -7.062 -8.949 1.00 0.00 H new ATOM 0 H2'' DC A 3 25.985 -8.800 -8.864 1.00 0.00 H new ATOM 0 H1' DC A 3 27.452 -9.216 -10.561 1.00 0.00 H new ATOM 0 H41 DC A 3 32.046 -4.822 -8.706 1.00 0.00 H new ATOM 0 H42 DC A 3 32.846 -6.386 -8.896 1.00 0.00 H new ATOM 0 H5 DC A 3 29.690 -4.506 -9.134 1.00 0.00 H new ATOM 0 H6 DC A 3 27.608 -5.579 -9.827 1.00 0.00 H new ATOM 94 P DG A 4 23.399 -9.866 -9.559 1.00 0.00 P ATOM 95 OP1 DG A 4 22.077 -10.174 -10.149 1.00 0.00 O ATOM 96 OP2 DG A 4 23.485 -9.053 -8.324 1.00 0.00 O ATOM 97 O5' DG A 4 24.179 -11.257 -9.303 1.00 0.00 O ATOM 98 C5' DG A 4 24.311 -12.215 -10.360 1.00 0.00 C ATOM 99 C4' DG A 4 25.413 -13.244 -10.083 1.00 0.00 C ATOM 100 O4' DG A 4 26.652 -12.570 -9.815 1.00 0.00 O ATOM 101 C3' DG A 4 25.138 -14.175 -8.902 1.00 0.00 C ATOM 102 O3' DG A 4 25.610 -15.491 -9.236 1.00 0.00 O ATOM 103 C2' DG A 4 25.972 -13.577 -7.777 1.00 0.00 C ATOM 104 C1' DG A 4 27.143 -12.964 -8.526 1.00 0.00 C ATOM 105 N9 DG A 4 27.715 -11.766 -7.885 1.00 0.00 N ATOM 106 C8 DG A 4 27.068 -10.644 -7.443 1.00 0.00 C ATOM 107 N7 DG A 4 27.865 -9.726 -6.968 1.00 0.00 N ATOM 108 C5 DG A 4 29.133 -10.286 -7.100 1.00 0.00 C ATOM 109 C6 DG A 4 30.404 -9.754 -6.751 1.00 0.00 C ATOM 110 O6 DG A 4 30.659 -8.663 -6.250 1.00 0.00 O ATOM 111 N1 DG A 4 31.426 -10.640 -7.049 1.00 0.00 N ATOM 112 C2 DG A 4 31.252 -11.884 -7.610 1.00 0.00 C ATOM 113 N2 DG A 4 32.354 -12.596 -7.817 1.00 0.00 N ATOM 114 N3 DG A 4 30.061 -12.385 -7.941 1.00 0.00 N ATOM 115 C4 DG A 4 29.050 -11.535 -7.659 1.00 0.00 C ATOM 0 H5' DG A 4 24.530 -11.695 -11.293 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.362 -12.732 -10.498 1.00 0.00 H new ATOM 0 H4' DG A 4 25.454 -13.858 -10.982 1.00 0.00 H new ATOM 0 H3' DG A 4 24.084 -14.261 -8.636 1.00 0.00 H new ATOM 0 H2' DG A 4 25.415 -12.829 -7.212 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.298 -14.336 -7.066 1.00 0.00 H new ATOM 0 H1' DG A 4 27.936 -13.712 -8.558 1.00 0.00 H new ATOM 0 H8 DG A 4 25.995 -10.529 -7.484 1.00 0.00 H new ATOM 0 H1 DG A 4 32.380 -10.348 -6.836 1.00 0.00 H new ATOM 0 H21 DG A 4 32.290 -13.526 -8.230 1.00 0.00 H new ATOM 0 H22 DG A 4 33.264 -12.212 -7.563 1.00 0.00 H new ATOM 127 P DG A 5 25.670 -16.682 -8.145 1.00 0.00 P ATOM 128 OP1 DG A 5 25.266 -17.940 -8.811 1.00 0.00 O ATOM 129 OP2 DG A 5 24.961 -16.232 -6.924 1.00 0.00 O ATOM 130 O5' DG A 5 27.248 -16.771 -7.809 1.00 0.00 O ATOM 131 C5' DG A 5 28.187 -17.179 -8.816 1.00 0.00 C ATOM 132 C4' DG A 5 29.596 -17.379 -8.249 1.00 0.00 C ATOM 133 O4' DG A 5 30.088 -16.141 -7.717 1.00 0.00 O ATOM 134 C3' DG A 5 29.679 -18.421 -7.134 1.00 0.00 C ATOM 135 O3' DG A 5 30.891 -19.178 -7.274 1.00 0.00 O ATOM 136 C2' DG A 5 29.728 -17.585 -5.868 1.00 0.00 C ATOM 137 C1' DG A 5 30.410 -16.307 -6.332 1.00 0.00 C ATOM 138 N9 DG A 5 29.958 -15.094 -5.625 1.00 0.00 N ATOM 139 C8 DG A 5 28.679 -14.649 -5.433 1.00 0.00 C ATOM 140 N7 DG A 5 28.599 -13.515 -4.796 1.00 0.00 N ATOM 141 C5 DG A 5 29.926 -13.182 -4.542 1.00 0.00 C ATOM 142 C6 DG A 5 30.468 -12.051 -3.876 1.00 0.00 C ATOM 143 O6 DG A 5 29.870 -11.092 -3.387 1.00 0.00 O ATOM 144 N1 DG A 5 31.853 -12.104 -3.833 1.00 0.00 N ATOM 145 C2 DG A 5 32.625 -13.114 -4.366 1.00 0.00 C ATOM 146 N2 DG A 5 33.941 -12.990 -4.225 1.00 0.00 N ATOM 147 N3 DG A 5 32.119 -14.175 -4.996 1.00 0.00 N ATOM 148 C4 DG A 5 30.767 -14.144 -5.046 1.00 0.00 C ATOM 0 H5' DG A 5 28.219 -16.428 -9.606 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.846 -18.108 -9.273 1.00 0.00 H new ATOM 0 H4' DG A 5 30.195 -17.737 -9.086 1.00 0.00 H new ATOM 0 H3' DG A 5 28.852 -19.131 -7.141 1.00 0.00 H new ATOM 0 H2' DG A 5 28.731 -17.391 -5.473 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.292 -18.080 -5.078 1.00 0.00 H new ATOM 0 H1' DG A 5 31.476 -16.414 -6.133 1.00 0.00 H new ATOM 0 H8 DG A 5 27.811 -15.190 -5.779 1.00 0.00 H new ATOM 0 H1 DG A 5 32.339 -11.335 -3.371 1.00 0.00 H new ATOM 0 H21 DG A 5 34.564 -13.706 -4.599 1.00 0.00 H new ATOM 0 H22 DG A 5 34.328 -12.179 -3.743 1.00 0.00 H new ATOM 160 P DC A 6 31.286 -20.325 -6.209 1.00 0.00 P ATOM 161 OP1 DC A 6 32.025 -21.386 -6.929 1.00 0.00 O ATOM 162 OP2 DC A 6 30.076 -20.674 -5.429 1.00 0.00 O ATOM 163 O5' DC A 6 32.318 -19.566 -5.226 1.00 0.00 O ATOM 164 C5' DC A 6 33.654 -19.279 -5.661 1.00 0.00 C ATOM 165 C4' DC A 6 34.540 -18.770 -4.521 1.00 0.00 C ATOM 166 O4' DC A 6 34.048 -17.506 -4.050 1.00 0.00 O ATOM 167 C3' DC A 6 34.627 -19.710 -3.317 1.00 0.00 C ATOM 168 O3' DC A 6 35.981 -19.748 -2.837 1.00 0.00 O ATOM 169 C2' DC A 6 33.717 -19.062 -2.284 1.00 0.00 C ATOM 170 C1' DC A 6 33.779 -17.589 -2.647 1.00 0.00 C ATOM 171 N1 DC A 6 32.528 -16.850 -2.379 1.00 0.00 N ATOM 172 C2 DC A 6 32.617 -15.687 -1.630 1.00 0.00 C ATOM 173 O2 DC A 6 33.705 -15.300 -1.210 1.00 0.00 O ATOM 174 N3 DC A 6 31.476 -14.995 -1.376 1.00 0.00 N ATOM 175 C4 DC A 6 30.295 -15.424 -1.834 1.00 0.00 C ATOM 176 N4 DC A 6 29.200 -14.716 -1.569 1.00 0.00 N ATOM 177 C5 DC A 6 30.195 -16.623 -2.604 1.00 0.00 C ATOM 178 C6 DC A 6 31.329 -17.301 -2.852 1.00 0.00 C ATOM 0 H5' DC A 6 33.623 -18.533 -6.455 1.00 0.00 H new ATOM 0 H5'' DC A 6 34.096 -20.179 -6.087 1.00 0.00 H new ATOM 0 H4' DC A 6 35.539 -18.693 -4.949 1.00 0.00 H new ATOM 0 H3' DC A 6 34.336 -20.735 -3.546 1.00 0.00 H new ATOM 0 H2' DC A 6 32.700 -19.449 -2.343 1.00 0.00 H new ATOM 0 H2'' DC A 6 34.068 -19.242 -1.268 1.00 0.00 H new ATOM 0 H1' DC A 6 34.552 -17.134 -2.028 1.00 0.00 H new ATOM 0 H41 DC A 6 28.293 -15.032 -1.912 1.00 0.00 H new ATOM 0 H42 DC A 6 29.268 -13.857 -1.023 1.00 0.00 H new ATOM 0 H5 DC A 6 29.242 -16.972 -2.974 1.00 0.00 H new ATOM 0 H6 DC A 6 31.291 -18.212 -3.431 1.00 0.00 H new ATOM 190 P DT A 7 36.342 -20.350 -1.381 1.00 0.00 P ATOM 191 OP1 DT A 7 37.746 -20.814 -1.406 1.00 0.00 O ATOM 192 OP2 DT A 7 35.264 -21.285 -0.980 1.00 0.00 O ATOM 193 O5' DT A 7 36.262 -19.046 -0.439 1.00 0.00 O ATOM 194 C5' DT A 7 37.032 -17.884 -0.765 1.00 0.00 C ATOM 195 C4' DT A 7 37.270 -16.988 0.452 1.00 0.00 C ATOM 196 O4' DT A 7 36.087 -16.230 0.728 1.00 0.00 O ATOM 197 C3' DT A 7 37.633 -17.749 1.726 1.00 0.00 C ATOM 198 O3' DT A 7 38.598 -16.998 2.476 1.00 0.00 O ATOM 199 C2' DT A 7 36.319 -17.816 2.487 1.00 0.00 C ATOM 200 C1' DT A 7 35.611 -16.543 2.039 1.00 0.00 C ATOM 201 N1 DT A 7 34.142 -16.649 1.951 1.00 0.00 N ATOM 202 C2 DT A 7 33.395 -15.587 2.426 1.00 0.00 C ATOM 203 O2 DT A 7 33.917 -14.597 2.936 1.00 0.00 O ATOM 204 N3 DT A 7 32.023 -15.707 2.298 1.00 0.00 N ATOM 205 C4 DT A 7 31.346 -16.782 1.747 1.00 0.00 C ATOM 206 O4 DT A 7 30.117 -16.791 1.685 1.00 0.00 O ATOM 207 C5 DT A 7 32.210 -17.842 1.281 1.00 0.00 C ATOM 208 C7 DT A 7 31.595 -19.092 0.657 1.00 0.00 C ATOM 209 C6 DT A 7 33.549 -17.747 1.392 1.00 0.00 C ATOM 0 H5' DT A 7 36.517 -17.314 -1.538 1.00 0.00 H new ATOM 0 H5'' DT A 7 37.992 -18.191 -1.181 1.00 0.00 H new ATOM 0 H4' DT A 7 38.118 -16.356 0.189 1.00 0.00 H new ATOM 0 H3' DT A 7 38.065 -18.732 1.535 1.00 0.00 H new ATOM 0 H2' DT A 7 35.748 -18.709 2.232 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.476 -17.835 3.566 1.00 0.00 H new ATOM 0 H1' DT A 7 35.829 -15.785 2.791 1.00 0.00 H new ATOM 0 H3 DT A 7 31.457 -14.931 2.642 1.00 0.00 H new ATOM 0 H71 DT A 7 30.614 -19.273 1.096 1.00 0.00 H new ATOM 0 H72 DT A 7 31.491 -18.948 -0.418 1.00 0.00 H new ATOM 0 H73 DT A 7 32.241 -19.949 0.847 1.00 0.00 H new ATOM 0 H6 DT A 7 34.168 -18.556 1.032 1.00 0.00 H new ATOM 222 P DG A 8 39.391 -17.675 3.705 1.00 0.00 P ATOM 223 OP1 DG A 8 40.798 -17.219 3.657 1.00 0.00 O ATOM 224 OP2 DG A 8 39.090 -19.125 3.711 1.00 0.00 O ATOM 225 O5' DG A 8 38.690 -17.014 4.997 1.00 0.00 O ATOM 226 C5' DG A 8 39.046 -15.693 5.422 1.00 0.00 C ATOM 227 C4' DG A 8 38.283 -15.269 6.677 1.00 0.00 C ATOM 228 O4' DG A 8 36.881 -15.205 6.388 1.00 0.00 O ATOM 229 C3' DG A 8 38.467 -16.206 7.871 1.00 0.00 C ATOM 230 O3' DG A 8 38.621 -15.470 9.091 1.00 0.00 O ATOM 231 C2' DG A 8 37.190 -17.026 7.881 1.00 0.00 C ATOM 232 C1' DG A 8 36.171 -16.080 7.266 1.00 0.00 C ATOM 233 N9 DG A 8 35.128 -16.756 6.476 1.00 0.00 N ATOM 234 C8 DG A 8 35.208 -17.937 5.787 1.00 0.00 C ATOM 235 N7 DG A 8 34.098 -18.279 5.192 1.00 0.00 N ATOM 236 C5 DG A 8 33.219 -17.246 5.510 1.00 0.00 C ATOM 237 C6 DG A 8 31.855 -17.060 5.146 1.00 0.00 C ATOM 238 O6 DG A 8 31.141 -17.789 4.463 1.00 0.00 O ATOM 239 N1 DG A 8 31.344 -15.885 5.677 1.00 0.00 N ATOM 240 C2 DG A 8 32.051 -14.999 6.459 1.00 0.00 C ATOM 241 N2 DG A 8 31.392 -13.922 6.875 1.00 0.00 N ATOM 242 N3 DG A 8 33.326 -15.171 6.803 1.00 0.00 N ATOM 243 C4 DG A 8 33.845 -16.311 6.295 1.00 0.00 C ATOM 0 H5' DG A 8 38.842 -14.986 4.618 1.00 0.00 H new ATOM 0 H5'' DG A 8 40.117 -15.652 5.618 1.00 0.00 H new ATOM 0 H4' DG A 8 38.695 -14.299 6.954 1.00 0.00 H new ATOM 0 H3' DG A 8 39.363 -16.821 7.790 1.00 0.00 H new ATOM 0 H2' DG A 8 37.294 -17.941 7.299 1.00 0.00 H new ATOM 0 H2'' DG A 8 36.908 -17.321 8.892 1.00 0.00 H new ATOM 0 HO3' DG A 8 38.735 -16.094 9.838 1.00 0.00 H new ATOM 0 H1' DG A 8 35.668 -15.566 8.085 1.00 0.00 H new ATOM 0 H8 DG A 8 36.108 -18.532 5.740 1.00 0.00 H new ATOM 0 H1 DG A 8 30.370 -15.660 5.473 1.00 0.00 H new ATOM 0 H21 DG A 8 31.863 -13.229 7.457 1.00 0.00 H new ATOM 0 H22 DG A 8 30.416 -13.788 6.612 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 22.821 -14.554 6.213 1.00 0.00 O ATOM 258 C5' DC B 1 22.772 -13.902 7.486 1.00 0.00 C ATOM 259 C4' DC B 1 23.907 -12.890 7.645 1.00 0.00 C ATOM 260 O4' DC B 1 25.169 -13.572 7.602 1.00 0.00 O ATOM 261 C3' DC B 1 23.925 -11.806 6.568 1.00 0.00 C ATOM 262 O3' DC B 1 24.204 -10.534 7.167 1.00 0.00 O ATOM 263 C2' DC B 1 25.064 -12.210 5.644 1.00 0.00 C ATOM 264 C1' DC B 1 25.970 -13.051 6.535 1.00 0.00 C ATOM 265 N1 DC B 1 26.592 -14.202 5.845 1.00 0.00 N ATOM 266 C2 DC B 1 27.976 -14.314 5.882 1.00 0.00 C ATOM 267 O2 DC B 1 28.652 -13.474 6.469 1.00 0.00 O ATOM 268 N3 DC B 1 28.554 -15.375 5.253 1.00 0.00 N ATOM 269 C4 DC B 1 27.810 -16.286 4.616 1.00 0.00 C ATOM 270 N4 DC B 1 28.410 -17.310 4.011 1.00 0.00 N ATOM 271 C5 DC B 1 26.386 -16.174 4.574 1.00 0.00 C ATOM 272 C6 DC B 1 25.822 -15.122 5.199 1.00 0.00 C ATOM 0 H5' DC B 1 22.834 -14.647 8.279 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.814 -13.395 7.599 1.00 0.00 H new ATOM 0 H4' DC B 1 23.737 -12.401 8.604 1.00 0.00 H new ATOM 0 H3' DC B 1 22.974 -11.717 6.042 1.00 0.00 H new ATOM 0 H2' DC B 1 24.703 -12.780 4.788 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.587 -11.339 5.249 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.083 -15.195 6.145 1.00 0.00 H new ATOM 0 H1' DC B 1 26.778 -12.401 6.872 1.00 0.00 H new ATOM 0 H41 DC B 1 27.853 -18.011 3.522 1.00 0.00 H new ATOM 0 H42 DC B 1 29.426 -17.393 4.037 1.00 0.00 H new ATOM 0 H5 DC B 1 25.783 -16.907 4.059 1.00 0.00 H new ATOM 0 H6 DC B 1 24.748 -15.007 5.188 1.00 0.00 H new ATOM 285 P DA B 2 23.935 -9.163 6.356 1.00 0.00 P ATOM 286 OP1 DA B 2 23.325 -8.186 7.286 1.00 0.00 O ATOM 287 OP2 DA B 2 23.248 -9.503 5.089 1.00 0.00 O ATOM 288 O5' DA B 2 25.427 -8.664 5.998 1.00 0.00 O ATOM 289 C5' DA B 2 26.251 -8.061 7.004 1.00 0.00 C ATOM 290 C4' DA B 2 27.677 -7.809 6.513 1.00 0.00 C ATOM 291 O4' DA B 2 28.273 -9.041 6.089 1.00 0.00 O ATOM 292 C3' DA B 2 27.782 -6.822 5.351 1.00 0.00 C ATOM 293 O3' DA B 2 28.903 -5.950 5.581 1.00 0.00 O ATOM 294 C2' DA B 2 28.025 -7.704 4.139 1.00 0.00 C ATOM 295 C1' DA B 2 28.709 -8.921 4.731 1.00 0.00 C ATOM 296 N9 DA B 2 28.373 -10.174 4.044 1.00 0.00 N ATOM 297 C8 DA B 2 27.177 -10.545 3.493 1.00 0.00 C ATOM 298 N7 DA B 2 27.191 -11.736 2.957 1.00 0.00 N ATOM 299 C5 DA B 2 28.496 -12.178 3.171 1.00 0.00 C ATOM 300 C6 DA B 2 29.167 -13.369 2.843 1.00 0.00 C ATOM 301 N6 DA B 2 28.592 -14.385 2.202 1.00 0.00 N ATOM 302 N1 DA B 2 30.455 -13.468 3.206 1.00 0.00 N ATOM 303 C2 DA B 2 31.030 -12.461 3.846 1.00 0.00 C ATOM 304 N3 DA B 2 30.512 -11.300 4.211 1.00 0.00 N ATOM 305 C4 DA B 2 29.219 -11.228 3.833 1.00 0.00 C ATOM 0 H5' DA B 2 26.280 -8.707 7.881 1.00 0.00 H new ATOM 0 H5'' DA B 2 25.805 -7.117 7.318 1.00 0.00 H new ATOM 0 H4' DA B 2 28.196 -7.370 7.365 1.00 0.00 H new ATOM 0 H3' DA B 2 26.900 -6.193 5.227 1.00 0.00 H new ATOM 0 H2' DA B 2 27.093 -7.969 3.640 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.654 -7.208 3.399 1.00 0.00 H new ATOM 0 H1' DA B 2 29.784 -8.774 4.632 1.00 0.00 H new ATOM 0 H8 DA B 2 26.302 -9.912 3.501 1.00 0.00 H new ATOM 0 H61 DA B 2 29.130 -15.225 1.991 1.00 0.00 H new ATOM 0 H62 DA B 2 27.613 -14.323 1.922 1.00 0.00 H new ATOM 0 H2 DA B 2 32.068 -12.609 4.106 1.00 0.00 H new ATOM 317 P DG B 3 29.496 -4.990 4.425 1.00 0.00 P ATOM 318 OP1 DG B 3 29.964 -3.737 5.059 1.00 0.00 O ATOM 319 OP2 DG B 3 28.517 -4.928 3.314 1.00 0.00 O ATOM 320 O5' DG B 3 30.791 -5.810 3.912 1.00 0.00 O ATOM 321 C5' DG B 3 31.878 -6.084 4.807 1.00 0.00 C ATOM 322 C4' DG B 3 33.080 -6.711 4.092 1.00 0.00 C ATOM 323 O4' DG B 3 32.748 -8.026 3.619 1.00 0.00 O ATOM 324 C3' DG B 3 33.592 -5.912 2.902 1.00 0.00 C ATOM 325 O3' DG B 3 35.027 -5.945 2.890 1.00 0.00 O ATOM 326 C2' DG B 3 33.035 -6.659 1.706 1.00 0.00 C ATOM 327 C1' DG B 3 32.968 -8.091 2.208 1.00 0.00 C ATOM 328 N9 DG B 3 31.869 -8.871 1.621 1.00 0.00 N ATOM 329 C8 DG B 3 30.556 -8.515 1.490 1.00 0.00 C ATOM 330 N7 DG B 3 29.814 -9.425 0.926 1.00 0.00 N ATOM 331 C5 DG B 3 30.704 -10.465 0.663 1.00 0.00 C ATOM 332 C6 DG B 3 30.475 -11.729 0.056 1.00 0.00 C ATOM 333 O6 DG B 3 29.419 -12.187 -0.375 1.00 0.00 O ATOM 334 N1 DG B 3 31.642 -12.478 -0.018 1.00 0.00 N ATOM 335 C2 DG B 3 32.875 -12.065 0.434 1.00 0.00 C ATOM 336 N2 DG B 3 33.880 -12.922 0.275 1.00 0.00 N ATOM 337 N3 DG B 3 33.094 -10.879 1.005 1.00 0.00 N ATOM 338 C4 DG B 3 31.966 -10.134 1.087 1.00 0.00 C ATOM 0 H5' DG B 3 31.536 -6.756 5.594 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.189 -5.158 5.291 1.00 0.00 H new ATOM 0 H4' DG B 3 33.870 -6.733 4.842 1.00 0.00 H new ATOM 0 H3' DG B 3 33.294 -4.864 2.917 1.00 0.00 H new ATOM 0 H2' DG B 3 32.053 -6.285 1.417 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.681 -6.566 0.833 1.00 0.00 H new ATOM 0 H1' DG B 3 33.898 -8.587 1.929 1.00 0.00 H new ATOM 0 H8 DG B 3 30.168 -7.564 1.824 1.00 0.00 H new ATOM 0 H1 DG B 3 31.581 -13.405 -0.439 1.00 0.00 H new ATOM 0 H21 DG B 3 34.818 -12.673 0.590 1.00 0.00 H new ATOM 0 H22 DG B 3 33.713 -13.828 -0.162 1.00 0.00 H new HETATM 350 P N4S B 4 35.870 -5.269 1.692 1.00 0.00 P HETATM 351 OP1 N4S B 4 37.034 -4.572 2.284 1.00 0.00 O HETATM 352 OP2 N4S B 4 34.932 -4.526 0.819 1.00 0.00 O HETATM 353 C5' N4S B 4 37.459 -7.370 1.407 1.00 0.00 C HETATM 354 O5' N4S B 4 36.414 -6.545 0.871 1.00 0.00 O HETATM 355 C4' N4S B 4 37.902 -8.444 0.412 1.00 0.00 C HETATM 356 O4' N4S B 4 36.764 -9.215 0.002 1.00 0.00 O HETATM 357 C3' N4S B 4 38.553 -7.896 -0.858 1.00 0.00 C HETATM 358 O3' N4S B 4 39.584 -8.801 -1.286 1.00 0.00 O HETATM 359 C2' N4S B 4 37.407 -7.883 -1.854 1.00 0.00 C HETATM 360 C1' N4S B 4 36.589 -9.084 -1.414 1.00 0.00 C HETATM 361 N1 N4S B 4 35.145 -8.959 -1.675 1.00 0.00 N HETATM 362 C2 N4S B 4 34.513 -10.023 -2.296 1.00 0.00 C HETATM 363 O2 N4S B 4 35.148 -11.025 -2.617 1.00 0.00 O HETATM 364 N3 N4S B 4 33.184 -9.923 -2.540 1.00 0.00 N HETATM 365 C4 N4S B 4 32.495 -8.830 -2.197 1.00 0.00 C HETATM 366 N4 N4S B 4 31.196 -8.793 -2.465 1.00 0.00 N HETATM 367 C5 N4S B 4 33.144 -7.726 -1.555 1.00 0.00 C HETATM 368 C6 N4S B 4 34.462 -7.834 -1.314 1.00 0.00 C HETATM 369 CA N4S B 4 30.369 -7.607 -2.109 1.00 0.00 C HETATM 370 CB N4S B 4 29.180 -7.491 -3.075 1.00 0.00 C HETATM 371 CC N4S B 4 29.649 -6.894 -4.416 1.00 0.00 C HETATM 372 CE N4S B 4 27.503 -6.408 -5.430 1.00 0.00 C HETATM 373 CF N4S B 4 27.788 -4.993 -5.978 1.00 0.00 C HETATM 374 CG N4S B 4 27.792 -3.970 -4.826 1.00 0.00 C HETATM 375 CH N4S B 4 28.228 -2.587 -5.339 1.00 0.00 C HETATM 376 CJ N4S B 4 28.710 -0.289 -4.685 1.00 0.00 C HETATM 377 CK N4S B 4 30.210 -0.178 -4.337 1.00 0.00 C HETATM 378 CL N4S B 4 30.610 1.300 -4.168 1.00 0.00 C HETATM 379 ND N4S B 4 28.712 -7.254 -5.502 1.00 0.00 N HETATM 380 NI N4S B 4 28.163 -1.595 -4.240 1.00 0.00 N HETATM 381 NM N4S B 4 32.061 1.469 -4.386 1.00 0.00 N ATOM 416 P DC B 5 40.207 -8.732 -2.774 1.00 0.00 P ATOM 417 OP1 DC B 5 41.577 -9.292 -2.728 1.00 0.00 O ATOM 418 OP2 DC B 5 39.989 -7.370 -3.311 1.00 0.00 O ATOM 419 O5' DC B 5 39.273 -9.760 -3.594 1.00 0.00 O ATOM 420 C5' DC B 5 39.346 -11.168 -3.336 1.00 0.00 C ATOM 421 C4' DC B 5 38.954 -11.991 -4.559 1.00 0.00 C ATOM 422 O4' DC B 5 37.550 -11.858 -4.811 1.00 0.00 O ATOM 423 C3' DC B 5 39.701 -11.610 -5.829 1.00 0.00 C ATOM 424 O3' DC B 5 40.103 -12.800 -6.519 1.00 0.00 O ATOM 425 C2' DC B 5 38.676 -10.847 -6.650 1.00 0.00 C ATOM 426 C1' DC B 5 37.342 -11.371 -6.136 1.00 0.00 C ATOM 427 N1 DC B 5 36.276 -10.351 -6.068 1.00 0.00 N ATOM 428 C2 DC B 5 35.095 -10.608 -6.749 1.00 0.00 C ATOM 429 O2 DC B 5 34.960 -11.647 -7.389 1.00 0.00 O ATOM 430 N3 DC B 5 34.103 -9.681 -6.684 1.00 0.00 N ATOM 431 C4 DC B 5 34.258 -8.550 -5.984 1.00 0.00 C ATOM 432 N4 DC B 5 33.266 -7.664 -5.945 1.00 0.00 N ATOM 433 C5 DC B 5 35.471 -8.281 -5.282 1.00 0.00 C ATOM 434 C6 DC B 5 36.450 -9.203 -5.349 1.00 0.00 C ATOM 0 H5' DC B 5 38.689 -11.419 -2.503 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.360 -11.429 -3.032 1.00 0.00 H new ATOM 0 H4' DC B 5 39.224 -13.019 -4.316 1.00 0.00 H new ATOM 0 H3' DC B 5 40.599 -11.023 -5.639 1.00 0.00 H new ATOM 0 H2' DC B 5 38.767 -9.771 -6.504 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.796 -11.035 -7.717 1.00 0.00 H new ATOM 0 H1' DC B 5 37.011 -12.136 -6.839 1.00 0.00 H new ATOM 0 H41 DC B 5 33.375 -6.800 -5.414 1.00 0.00 H new ATOM 0 H42 DC B 5 32.397 -7.849 -6.446 1.00 0.00 H new ATOM 0 H5 DC B 5 35.599 -7.370 -4.717 1.00 0.00 H new ATOM 0 H6 DC B 5 37.381 -9.033 -4.829 1.00 0.00 H new ATOM 446 P DG B 6 40.996 -12.721 -7.859 1.00 0.00 P ATOM 447 OP1 DG B 6 41.953 -13.851 -7.848 1.00 0.00 O ATOM 448 OP2 DG B 6 41.494 -11.334 -8.006 1.00 0.00 O ATOM 449 O5' DG B 6 39.909 -12.989 -9.019 1.00 0.00 O ATOM 450 C5' DG B 6 39.232 -14.249 -9.095 1.00 0.00 C ATOM 451 C4' DG B 6 38.163 -14.268 -10.186 1.00 0.00 C ATOM 452 O4' DG B 6 37.114 -13.337 -9.872 1.00 0.00 O ATOM 453 C3' DG B 6 38.679 -13.925 -11.578 1.00 0.00 C ATOM 454 O3' DG B 6 38.043 -14.781 -12.537 1.00 0.00 O ATOM 455 C2' DG B 6 38.235 -12.484 -11.780 1.00 0.00 C ATOM 456 C1' DG B 6 36.955 -12.423 -10.963 1.00 0.00 C ATOM 457 N9 DG B 6 36.642 -11.091 -10.405 1.00 0.00 N ATOM 458 C8 DG B 6 37.478 -10.185 -9.804 1.00 0.00 C ATOM 459 N7 DG B 6 36.883 -9.089 -9.420 1.00 0.00 N ATOM 460 C5 DG B 6 35.556 -9.281 -9.794 1.00 0.00 C ATOM 461 C6 DG B 6 34.427 -8.427 -9.638 1.00 0.00 C ATOM 462 O6 DG B 6 34.379 -7.307 -9.131 1.00 0.00 O ATOM 463 N1 DG B 6 33.278 -9.007 -10.153 1.00 0.00 N ATOM 464 C2 DG B 6 33.216 -10.249 -10.744 1.00 0.00 C ATOM 465 N2 DG B 6 32.020 -10.637 -11.179 1.00 0.00 N ATOM 466 N3 DG B 6 34.269 -11.049 -10.892 1.00 0.00 N ATOM 467 C4 DG B 6 35.402 -10.504 -10.396 1.00 0.00 C ATOM 0 H5' DG B 6 38.770 -14.469 -8.133 1.00 0.00 H new ATOM 0 H5'' DG B 6 39.959 -15.038 -9.288 1.00 0.00 H new ATOM 0 H4' DG B 6 37.804 -15.297 -10.208 1.00 0.00 H new ATOM 0 H3' DG B 6 39.756 -14.051 -11.690 1.00 0.00 H new ATOM 0 H2' DG B 6 38.981 -11.774 -11.421 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.058 -12.256 -12.831 1.00 0.00 H new ATOM 0 H1' DG B 6 36.131 -12.671 -11.632 1.00 0.00 H new ATOM 0 H8 DG B 6 38.534 -10.363 -9.661 1.00 0.00 H new ATOM 0 H1 DG B 6 32.412 -8.472 -10.089 1.00 0.00 H new ATOM 0 H21 DG B 6 31.911 -11.547 -11.626 1.00 0.00 H new ATOM 0 H22 DG B 6 31.213 -10.024 -11.066 1.00 0.00 H new ATOM 479 P DA B 7 38.463 -14.761 -14.094 1.00 0.00 P ATOM 480 OP1 DA B 7 38.757 -16.152 -14.510 1.00 0.00 O ATOM 481 OP2 DA B 7 39.476 -13.701 -14.296 1.00 0.00 O ATOM 482 O5' DA B 7 37.094 -14.298 -14.811 1.00 0.00 O ATOM 483 C5' DA B 7 35.919 -15.115 -14.728 1.00 0.00 C ATOM 484 C4' DA B 7 34.709 -14.462 -15.399 1.00 0.00 C ATOM 485 O4' DA B 7 34.280 -13.321 -14.643 1.00 0.00 O ATOM 486 C3' DA B 7 34.960 -14.001 -16.832 1.00 0.00 C ATOM 487 O3' DA B 7 33.833 -14.357 -17.647 1.00 0.00 O ATOM 488 C2' DA B 7 35.086 -12.490 -16.724 1.00 0.00 C ATOM 489 C1' DA B 7 34.282 -12.158 -15.478 1.00 0.00 C ATOM 490 N9 DA B 7 34.852 -11.053 -14.694 1.00 0.00 N ATOM 491 C8 DA B 7 36.145 -10.885 -14.288 1.00 0.00 C ATOM 492 N7 DA B 7 36.349 -9.785 -13.614 1.00 0.00 N ATOM 493 C5 DA B 7 35.092 -9.184 -13.574 1.00 0.00 C ATOM 494 C6 DA B 7 34.627 -7.985 -13.005 1.00 0.00 C ATOM 495 N6 DA B 7 35.411 -7.138 -12.338 1.00 0.00 N ATOM 496 N1 DA B 7 33.322 -7.697 -13.152 1.00 0.00 N ATOM 497 C2 DA B 7 32.545 -8.542 -13.820 1.00 0.00 C ATOM 498 N3 DA B 7 32.861 -9.690 -14.396 1.00 0.00 N ATOM 499 C4 DA B 7 34.174 -9.953 -14.230 1.00 0.00 C ATOM 0 H5' DA B 7 35.689 -15.311 -13.681 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.116 -16.079 -15.197 1.00 0.00 H new ATOM 0 H4' DA B 7 33.947 -15.241 -15.430 1.00 0.00 H new ATOM 0 H3' DA B 7 35.843 -14.453 -17.283 1.00 0.00 H new ATOM 0 H2' DA B 7 36.126 -12.180 -16.626 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.686 -11.989 -17.606 1.00 0.00 H new ATOM 0 H1' DA B 7 33.286 -11.854 -15.801 1.00 0.00 H new ATOM 0 H8 DA B 7 36.928 -11.597 -14.505 1.00 0.00 H new ATOM 0 H61 DA B 7 35.019 -6.282 -11.946 1.00 0.00 H new ATOM 0 H62 DA B 7 36.402 -7.346 -12.220 1.00 0.00 H new ATOM 0 H2 DA B 7 31.509 -8.251 -13.905 1.00 0.00 H new ATOM 511 P DC B 8 33.701 -13.850 -19.174 1.00 0.00 P ATOM 512 OP1 DC B 8 32.953 -14.873 -19.939 1.00 0.00 O ATOM 513 OP2 DC B 8 35.035 -13.410 -19.639 1.00 0.00 O ATOM 514 O5' DC B 8 32.762 -12.547 -19.028 1.00 0.00 O ATOM 515 C5' DC B 8 31.411 -12.671 -18.567 1.00 0.00 C ATOM 516 C4' DC B 8 30.713 -11.317 -18.498 1.00 0.00 C ATOM 517 O4' DC B 8 31.401 -10.473 -17.564 1.00 0.00 O ATOM 518 C3' DC B 8 30.656 -10.578 -19.841 1.00 0.00 C ATOM 519 O3' DC B 8 29.336 -10.087 -20.106 1.00 0.00 O ATOM 520 C2' DC B 8 31.645 -9.433 -19.661 1.00 0.00 C ATOM 521 C1' DC B 8 31.601 -9.196 -18.162 1.00 0.00 C ATOM 522 N1 DC B 8 32.838 -8.620 -17.593 1.00 0.00 N ATOM 523 C2 DC B 8 32.723 -7.440 -16.875 1.00 0.00 C ATOM 524 O2 DC B 8 31.626 -6.905 -16.738 1.00 0.00 O ATOM 525 N3 DC B 8 33.847 -6.900 -16.335 1.00 0.00 N ATOM 526 C4 DC B 8 35.037 -7.488 -16.490 1.00 0.00 C ATOM 527 N4 DC B 8 36.114 -6.929 -15.944 1.00 0.00 N ATOM 528 C5 DC B 8 35.165 -8.705 -17.230 1.00 0.00 C ATOM 529 C6 DC B 8 34.046 -9.235 -17.762 1.00 0.00 C ATOM 0 H5' DC B 8 31.404 -13.135 -17.581 1.00 0.00 H new ATOM 0 H5'' DC B 8 30.858 -13.332 -19.234 1.00 0.00 H new ATOM 0 H4' DC B 8 29.688 -11.524 -18.191 1.00 0.00 H new ATOM 0 H3' DC B 8 30.902 -11.219 -20.688 1.00 0.00 H new ATOM 0 H2' DC B 8 32.645 -9.703 -20.000 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.347 -8.547 -20.221 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.328 -9.619 -20.967 1.00 0.00 H new ATOM 0 H1' DC B 8 30.810 -8.473 -17.963 1.00 0.00 H new ATOM 0 H41 DC B 8 37.028 -7.368 -16.055 1.00 0.00 H new ATOM 0 H42 DC B 8 36.025 -6.062 -15.415 1.00 0.00 H new ATOM 0 H5 DC B 8 36.125 -9.183 -17.358 1.00 0.00 H new ATOM 0 H6 DC B 8 34.105 -10.154 -18.327 1.00 0.00 H new TER 542 DC B 8