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 4.338 -8.695 -2.150 1.00 0.00 O ATOM 2 C5' DC A 1 4.039 -9.172 -0.855 1.00 0.00 C ATOM 3 C4' DC A 1 4.230 -8.056 0.178 1.00 0.00 C ATOM 4 O4' DC A 1 3.284 -7.014 -0.027 1.00 0.00 O ATOM 5 C3' DC A 1 3.958 -8.535 1.612 1.00 0.00 C ATOM 6 O3' DC A 1 5.011 -9.159 2.343 1.00 0.00 O ATOM 7 C2' DC A 1 3.389 -7.273 2.304 1.00 0.00 C ATOM 8 C1' DC A 1 3.231 -6.250 1.165 1.00 0.00 C ATOM 9 N1 DC A 1 2.015 -5.395 1.275 1.00 0.00 N ATOM 10 C2 DC A 1 2.101 -3.996 1.287 1.00 0.00 C ATOM 11 O2 DC A 1 3.179 -3.414 1.194 1.00 0.00 O ATOM 12 N3 DC A 1 0.946 -3.273 1.404 1.00 0.00 N ATOM 13 C4 DC A 1 -0.247 -3.881 1.509 1.00 0.00 C ATOM 14 N4 DC A 1 -1.351 -3.137 1.640 1.00 0.00 N ATOM 15 C5 DC A 1 -0.358 -5.310 1.452 1.00 0.00 C ATOM 16 C6 DC A 1 0.798 -6.002 1.331 1.00 0.00 C ATOM 0 H5' DC A 1 4.685 -10.016 -0.613 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.012 -9.536 -0.822 1.00 0.00 H new ATOM 0 H4' DC A 1 5.262 -7.728 0.055 1.00 0.00 H new ATOM 0 H3' DC A 1 3.280 -9.388 1.579 1.00 0.00 H new ATOM 0 H2' DC A 1 2.434 -7.481 2.787 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.064 -6.906 3.077 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.214 -9.417 -2.801 1.00 0.00 H new ATOM 0 H1' DC A 1 4.028 -5.507 1.197 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.263 -3.587 1.721 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.281 -2.120 1.659 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.315 -5.808 1.503 1.00 0.00 H new ATOM 0 H6 DC A 1 0.754 -7.080 1.277 1.00 0.00 H new ATOM 29 P DG A 2 6.539 -8.619 2.485 1.00 0.00 P ATOM 30 OP1 DG A 2 7.166 -8.648 1.145 1.00 0.00 O ATOM 31 OP2 DG A 2 7.163 -9.393 3.580 1.00 0.00 O ATOM 32 O5' DG A 2 6.459 -7.080 2.985 1.00 0.00 O ATOM 33 C5' DG A 2 7.005 -6.028 2.211 1.00 0.00 C ATOM 34 C4' DG A 2 7.001 -4.685 2.924 1.00 0.00 C ATOM 35 O4' DG A 2 5.691 -4.148 2.874 1.00 0.00 O ATOM 36 C3' DG A 2 7.464 -4.724 4.390 1.00 0.00 C ATOM 37 O3' DG A 2 8.420 -3.694 4.538 1.00 0.00 O ATOM 38 C2' DG A 2 6.117 -4.516 5.079 1.00 0.00 C ATOM 39 C1' DG A 2 5.458 -3.542 4.116 1.00 0.00 C ATOM 40 N9 DG A 2 4.010 -3.373 4.373 1.00 0.00 N ATOM 41 C8 DG A 2 3.115 -4.322 4.791 1.00 0.00 C ATOM 42 N7 DG A 2 1.874 -3.930 4.795 1.00 0.00 N ATOM 43 C5 DG A 2 1.951 -2.603 4.394 1.00 0.00 C ATOM 44 C6 DG A 2 0.911 -1.644 4.222 1.00 0.00 C ATOM 45 O6 DG A 2 -0.299 -1.839 4.269 1.00 0.00 O ATOM 46 N1 DG A 2 1.400 -0.364 3.976 1.00 0.00 N ATOM 47 C2 DG A 2 2.740 -0.064 3.811 1.00 0.00 C ATOM 48 N2 DG A 2 3.051 1.219 3.598 1.00 0.00 N ATOM 49 N3 DG A 2 3.715 -0.989 3.869 1.00 0.00 N ATOM 50 C4 DG A 2 3.259 -2.234 4.180 1.00 0.00 C ATOM 0 H5' DG A 2 6.440 -5.939 1.283 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.029 -6.282 1.938 1.00 0.00 H new ATOM 0 H4' DG A 2 7.728 -4.065 2.399 1.00 0.00 H new ATOM 0 H3' DG A 2 7.966 -5.607 4.784 1.00 0.00 H new ATOM 0 H2' DG A 2 5.555 -5.445 5.178 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.224 -4.100 6.081 1.00 0.00 H new ATOM 0 H1' DG A 2 5.857 -2.531 4.199 1.00 0.00 H new ATOM 0 H8 DG A 2 3.415 -5.315 5.093 1.00 0.00 H new ATOM 0 H1 DG A 2 0.728 0.401 3.914 1.00 0.00 H new ATOM 0 H21 DG A 2 4.025 1.493 3.470 1.00 0.00 H new ATOM 0 H22 DG A 2 2.314 1.923 3.564 1.00 0.00 H new ATOM 62 P DC A 3 8.935 -3.151 5.958 1.00 0.00 P ATOM 63 OP1 DC A 3 10.378 -2.841 5.850 1.00 0.00 O ATOM 64 OP2 DC A 3 8.444 -4.032 7.041 1.00 0.00 O ATOM 65 O5' DC A 3 8.110 -1.772 5.988 1.00 0.00 O ATOM 66 C5' DC A 3 8.377 -0.754 5.039 1.00 0.00 C ATOM 67 C4' DC A 3 7.631 0.525 5.405 1.00 0.00 C ATOM 68 O4' DC A 3 6.238 0.312 5.299 1.00 0.00 O ATOM 69 C3' DC A 3 7.953 0.993 6.832 1.00 0.00 C ATOM 70 O3' DC A 3 8.431 2.326 6.748 1.00 0.00 O ATOM 71 C2' DC A 3 6.630 0.824 7.556 1.00 0.00 C ATOM 72 C1' DC A 3 5.603 0.857 6.435 1.00 0.00 C ATOM 73 N1 DC A 3 4.459 -0.012 6.806 1.00 0.00 N ATOM 74 C2 DC A 3 3.187 0.532 6.974 1.00 0.00 C ATOM 75 O2 DC A 3 2.970 1.730 6.810 1.00 0.00 O ATOM 76 N3 DC A 3 2.173 -0.307 7.327 1.00 0.00 N ATOM 77 C4 DC A 3 2.382 -1.612 7.550 1.00 0.00 C ATOM 78 N4 DC A 3 1.340 -2.398 7.835 1.00 0.00 N ATOM 79 C5 DC A 3 3.694 -2.174 7.444 1.00 0.00 C ATOM 80 C6 DC A 3 4.681 -1.347 7.043 1.00 0.00 C ATOM 0 H5' DC A 3 8.076 -1.086 4.046 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.449 -0.558 4.998 1.00 0.00 H new ATOM 0 H4' DC A 3 7.956 1.300 4.710 1.00 0.00 H new ATOM 0 H3' DC A 3 8.730 0.446 7.366 1.00 0.00 H new ATOM 0 H2' DC A 3 6.592 -0.115 8.107 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.462 1.624 8.277 1.00 0.00 H new ATOM 0 H1' DC A 3 5.242 1.869 6.250 1.00 0.00 H new ATOM 0 H41 DC A 3 1.484 -3.393 8.007 1.00 0.00 H new ATOM 0 H42 DC A 3 0.401 -2.003 7.881 1.00 0.00 H new ATOM 0 H5 DC A 3 3.885 -3.212 7.674 1.00 0.00 H new ATOM 0 H6 DC A 3 5.675 -1.746 6.904 1.00 0.00 H new ATOM 92 P DT A 4 8.790 3.216 8.041 1.00 0.00 P ATOM 93 OP1 DT A 4 9.600 4.372 7.596 1.00 0.00 O ATOM 94 OP2 DT A 4 9.301 2.322 9.104 1.00 0.00 O ATOM 95 O5' DT A 4 7.339 3.753 8.483 1.00 0.00 O ATOM 96 C5' DT A 4 6.536 4.535 7.617 1.00 0.00 C ATOM 97 C4' DT A 4 5.257 4.969 8.338 1.00 0.00 C ATOM 98 O4' DT A 4 4.412 3.848 8.518 1.00 0.00 O ATOM 99 C3' DT A 4 5.525 5.597 9.710 1.00 0.00 C ATOM 100 O3' DT A 4 5.132 6.958 9.733 1.00 0.00 O ATOM 101 C2' DT A 4 4.741 4.701 10.670 1.00 0.00 C ATOM 102 C1' DT A 4 3.760 3.959 9.766 1.00 0.00 C ATOM 103 N1 DT A 4 3.399 2.590 10.239 1.00 0.00 N ATOM 104 C2 DT A 4 2.049 2.251 10.317 1.00 0.00 C ATOM 105 O2 DT A 4 1.141 3.077 10.275 1.00 0.00 O ATOM 106 N3 DT A 4 1.762 0.901 10.451 1.00 0.00 N ATOM 107 C4 DT A 4 2.679 -0.136 10.522 1.00 0.00 C ATOM 108 O4 DT A 4 2.278 -1.294 10.627 1.00 0.00 O ATOM 109 C5 DT A 4 4.068 0.294 10.462 1.00 0.00 C ATOM 110 C7 DT A 4 5.192 -0.736 10.457 1.00 0.00 C ATOM 111 C6 DT A 4 4.367 1.614 10.339 1.00 0.00 C ATOM 0 H5' DT A 4 6.284 3.962 6.725 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.092 5.412 7.285 1.00 0.00 H new ATOM 0 H4' DT A 4 4.787 5.726 7.711 1.00 0.00 H new ATOM 0 H3' DT A 4 6.579 5.635 9.985 1.00 0.00 H new ATOM 0 H2' DT A 4 5.398 4.010 11.198 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.221 5.287 11.428 1.00 0.00 H new ATOM 0 H1' DT A 4 2.822 4.513 9.738 1.00 0.00 H new ATOM 0 H3 DT A 4 0.776 0.645 10.503 1.00 0.00 H new ATOM 0 H71 DT A 4 6.044 -0.343 9.902 1.00 0.00 H new ATOM 0 H72 DT A 4 5.494 -0.949 11.482 1.00 0.00 H new ATOM 0 H73 DT A 4 4.843 -1.653 9.983 1.00 0.00 H new ATOM 0 H6 DT A 4 5.405 1.910 10.319 1.00 0.00 H new ATOM 124 P DA A 5 5.375 7.897 11.028 1.00 0.00 P ATOM 125 OP1 DA A 5 5.546 9.293 10.567 1.00 0.00 O ATOM 126 OP2 DA A 5 6.403 7.273 11.890 1.00 0.00 O ATOM 127 O5' DA A 5 3.954 7.777 11.773 1.00 0.00 O ATOM 128 C5' DA A 5 2.806 8.387 11.223 1.00 0.00 C ATOM 129 C4' DA A 5 1.536 7.970 11.959 1.00 0.00 C ATOM 130 O4' DA A 5 1.465 6.555 11.968 1.00 0.00 O ATOM 131 C3' DA A 5 1.536 8.451 13.418 1.00 0.00 C ATOM 132 O3' DA A 5 0.243 8.734 13.897 1.00 0.00 O ATOM 133 C2' DA A 5 1.975 7.211 14.158 1.00 0.00 C ATOM 134 C1' DA A 5 1.278 6.151 13.305 1.00 0.00 C ATOM 135 N9 DA A 5 1.786 4.782 13.516 1.00 0.00 N ATOM 136 C8 DA A 5 3.067 4.346 13.736 1.00 0.00 C ATOM 137 N7 DA A 5 3.186 3.045 13.790 1.00 0.00 N ATOM 138 C5 DA A 5 1.884 2.585 13.611 1.00 0.00 C ATOM 139 C6 DA A 5 1.294 1.300 13.566 1.00 0.00 C ATOM 140 N6 DA A 5 1.981 0.156 13.676 1.00 0.00 N ATOM 141 N1 DA A 5 -0.039 1.220 13.394 1.00 0.00 N ATOM 142 C2 DA A 5 -0.748 2.337 13.256 1.00 0.00 C ATOM 143 N3 DA A 5 -0.316 3.589 13.252 1.00 0.00 N ATOM 144 C4 DA A 5 1.028 3.644 13.441 1.00 0.00 C ATOM 0 H5' DA A 5 2.721 8.119 10.170 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.913 9.471 11.268 1.00 0.00 H new ATOM 0 H4' DA A 5 0.686 8.418 11.444 1.00 0.00 H new ATOM 0 H3' DA A 5 2.141 9.351 13.533 1.00 0.00 H new ATOM 0 H2' DA A 5 3.058 7.092 14.172 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.640 7.201 15.195 1.00 0.00 H new ATOM 0 H1' DA A 5 0.226 6.092 13.584 1.00 0.00 H new ATOM 0 H8 DA A 5 3.904 5.018 13.854 1.00 0.00 H new ATOM 0 H61 DA A 5 1.492 -0.738 13.635 1.00 0.00 H new ATOM 0 H62 DA A 5 2.993 0.179 13.801 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.813 2.206 13.131 1.00 0.00 H new ATOM 156 P DG A 6 -0.491 10.134 13.649 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.654 10.359 12.195 1.00 0.00 O ATOM 158 OP2 DG A 6 0.149 11.164 14.496 1.00 0.00 O ATOM 159 O5' DG A 6 -1.918 9.758 14.279 1.00 0.00 O ATOM 160 C5' DG A 6 -2.665 8.648 13.812 1.00 0.00 C ATOM 161 C4' DG A 6 -2.813 7.507 14.837 1.00 0.00 C ATOM 162 O4' DG A 6 -1.926 6.395 14.713 1.00 0.00 O ATOM 163 C3' DG A 6 -2.795 7.905 16.325 1.00 0.00 C ATOM 164 O3' DG A 6 -4.129 7.989 16.802 1.00 0.00 O ATOM 165 C2' DG A 6 -1.920 6.820 16.946 1.00 0.00 C ATOM 166 C1' DG A 6 -1.994 5.685 15.946 1.00 0.00 C ATOM 167 N9 DG A 6 -0.962 4.648 16.195 1.00 0.00 N ATOM 168 C8 DG A 6 0.362 4.781 16.537 1.00 0.00 C ATOM 169 N7 DG A 6 0.986 3.657 16.737 1.00 0.00 N ATOM 170 C5 DG A 6 -0.001 2.701 16.560 1.00 0.00 C ATOM 171 C6 DG A 6 0.072 1.284 16.679 1.00 0.00 C ATOM 172 O6 DG A 6 1.075 0.600 16.855 1.00 0.00 O ATOM 173 N1 DG A 6 -1.175 0.677 16.571 1.00 0.00 N ATOM 174 C2 DG A 6 -2.356 1.350 16.329 1.00 0.00 C ATOM 175 N2 DG A 6 -3.480 0.626 16.303 1.00 0.00 N ATOM 176 N3 DG A 6 -2.417 2.679 16.161 1.00 0.00 N ATOM 177 C4 DG A 6 -1.210 3.297 16.291 1.00 0.00 C ATOM 0 H5' DG A 6 -2.187 8.255 12.915 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.658 8.990 13.520 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.818 7.204 14.542 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.387 8.887 16.565 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.895 7.164 17.087 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.292 6.517 17.925 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.889 5.064 15.988 1.00 0.00 H new ATOM 0 H8 DG A 6 0.846 5.742 16.632 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.220 -0.336 16.678 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.376 1.081 16.128 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.441 -0.381 16.458 1.00 0.00 H new ATOM 189 P DC A 7 -4.531 8.068 18.369 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.770 8.869 18.486 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.340 8.434 19.168 1.00 0.00 O ATOM 192 O5' DC A 7 -4.903 6.521 18.661 1.00 0.00 O ATOM 193 C5' DC A 7 -5.829 5.858 17.821 1.00 0.00 C ATOM 194 C4' DC A 7 -6.255 4.468 18.302 1.00 0.00 C ATOM 195 O4' DC A 7 -5.211 3.534 18.097 1.00 0.00 O ATOM 196 C3' DC A 7 -6.700 4.435 19.765 1.00 0.00 C ATOM 197 O3' DC A 7 -7.921 3.719 19.860 1.00 0.00 O ATOM 198 C2' DC A 7 -5.513 3.739 20.395 1.00 0.00 C ATOM 199 C1' DC A 7 -4.983 2.825 19.295 1.00 0.00 C ATOM 200 N1 DC A 7 -3.518 2.634 19.459 1.00 0.00 N ATOM 201 C2 DC A 7 -2.961 1.369 19.677 1.00 0.00 C ATOM 202 O2 DC A 7 -3.657 0.357 19.732 1.00 0.00 O ATOM 203 N3 DC A 7 -1.605 1.279 19.829 1.00 0.00 N ATOM 204 C4 DC A 7 -0.826 2.375 19.780 1.00 0.00 C ATOM 205 N4 DC A 7 0.497 2.247 19.904 1.00 0.00 N ATOM 206 C5 DC A 7 -1.383 3.673 19.547 1.00 0.00 C ATOM 207 C6 DC A 7 -2.716 3.741 19.382 1.00 0.00 C ATOM 0 H5' DC A 7 -5.393 5.765 16.826 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.718 6.481 17.722 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.125 4.196 17.705 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.917 5.390 20.244 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.756 4.455 20.716 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.808 3.170 21.277 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.462 1.846 19.313 1.00 0.00 H new ATOM 0 H41 DC A 7 1.095 3.073 19.868 1.00 0.00 H new ATOM 0 H42 DC A 7 0.910 1.324 20.035 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.762 4.556 19.506 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.169 4.701 19.182 1.00 0.00 H new ATOM 219 P DG A 8 -8.741 3.566 21.244 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.105 3.093 20.923 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.559 4.798 22.043 1.00 0.00 O ATOM 222 O5' DG A 8 -7.955 2.370 21.977 1.00 0.00 O ATOM 223 C5' DG A 8 -7.905 1.074 21.415 1.00 0.00 C ATOM 224 C4' DG A 8 -7.033 0.148 22.269 1.00 0.00 C ATOM 225 O4' DG A 8 -5.665 0.422 22.015 1.00 0.00 O ATOM 226 C3' DG A 8 -7.257 0.291 23.785 1.00 0.00 C ATOM 227 O3' DG A 8 -7.429 -0.973 24.393 1.00 0.00 O ATOM 228 C2' DG A 8 -5.950 0.921 24.252 1.00 0.00 C ATOM 229 C1' DG A 8 -4.982 0.319 23.243 1.00 0.00 C ATOM 230 N9 DG A 8 -3.668 0.998 23.201 1.00 0.00 N ATOM 231 C8 DG A 8 -3.376 2.339 23.228 1.00 0.00 C ATOM 232 N7 DG A 8 -2.101 2.604 23.126 1.00 0.00 N ATOM 233 C5 DG A 8 -1.500 1.351 23.037 1.00 0.00 C ATOM 234 C6 DG A 8 -0.122 0.988 22.917 1.00 0.00 C ATOM 235 O6 DG A 8 0.856 1.728 22.846 1.00 0.00 O ATOM 236 N1 DG A 8 0.065 -0.394 22.881 1.00 0.00 N ATOM 237 C2 DG A 8 -0.956 -1.320 22.965 1.00 0.00 C ATOM 238 N2 DG A 8 -0.614 -2.612 22.953 1.00 0.00 N ATOM 239 N3 DG A 8 -2.250 -0.981 23.061 1.00 0.00 N ATOM 240 C4 DG A 8 -2.454 0.364 23.091 1.00 0.00 C ATOM 0 H5' DG A 8 -7.506 1.126 20.402 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.913 0.666 21.339 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.317 -0.866 21.986 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.146 0.870 24.035 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.974 2.010 24.206 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.702 0.651 25.278 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.568 -0.857 25.356 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.725 -0.707 23.505 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.131 3.105 23.325 1.00 0.00 H new ATOM 0 H1 DG A 8 1.019 -0.743 22.786 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.335 -3.331 23.013 1.00 0.00 H new ATOM 0 H22 DG A 8 0.368 -2.879 22.884 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.515 -6.316 26.427 1.00 0.00 O ATOM 255 C5' DC B 1 7.028 -6.437 25.117 1.00 0.00 C ATOM 256 C4' DC B 1 5.887 -6.385 24.096 1.00 0.00 C ATOM 257 O4' DC B 1 5.242 -5.127 24.110 1.00 0.00 O ATOM 258 C3' DC B 1 6.354 -6.649 22.662 1.00 0.00 C ATOM 259 O3' DC B 1 6.065 -8.020 22.423 1.00 0.00 O ATOM 260 C2' DC B 1 5.512 -5.626 21.852 1.00 0.00 C ATOM 261 C1' DC B 1 4.558 -5.008 22.883 1.00 0.00 C ATOM 262 N1 DC B 1 4.200 -3.593 22.608 1.00 0.00 N ATOM 263 C2 DC B 1 2.867 -3.184 22.513 1.00 0.00 C ATOM 264 O2 DC B 1 1.941 -3.987 22.591 1.00 0.00 O ATOM 265 N3 DC B 1 2.608 -1.854 22.330 1.00 0.00 N ATOM 266 C4 DC B 1 3.606 -0.958 22.240 1.00 0.00 C ATOM 267 N4 DC B 1 3.307 0.333 22.052 1.00 0.00 N ATOM 268 C5 DC B 1 4.977 -1.356 22.397 1.00 0.00 C ATOM 269 C6 DC B 1 5.204 -2.675 22.584 1.00 0.00 C ATOM 0 H5' DC B 1 7.573 -7.376 25.017 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.738 -5.634 24.921 1.00 0.00 H new ATOM 0 H4' DC B 1 5.200 -7.176 24.397 1.00 0.00 H new ATOM 0 H3' DC B 1 7.407 -6.515 22.415 1.00 0.00 H new ATOM 0 H2' DC B 1 6.145 -4.867 21.393 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.963 -6.114 21.046 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.252 -6.352 27.072 1.00 0.00 H new ATOM 0 H1' DC B 1 3.598 -5.524 22.868 1.00 0.00 H new ATOM 0 H41 DC B 1 4.054 1.024 21.982 1.00 0.00 H new ATOM 0 H42 DC B 1 2.333 0.625 21.979 1.00 0.00 H new ATOM 0 H5 DC B 1 5.784 -0.639 22.367 1.00 0.00 H new ATOM 0 H6 DC B 1 6.221 -3.013 22.720 1.00 0.00 H new ATOM 282 P DG B 2 5.868 -8.673 20.963 1.00 0.00 P ATOM 283 OP1 DG B 2 5.949 -10.143 21.104 1.00 0.00 O ATOM 284 OP2 DG B 2 6.757 -7.972 20.010 1.00 0.00 O ATOM 285 O5' DG B 2 4.338 -8.285 20.617 1.00 0.00 O ATOM 286 C5' DG B 2 3.271 -8.543 21.516 1.00 0.00 C ATOM 287 C4' DG B 2 1.930 -8.168 20.901 1.00 0.00 C ATOM 288 O4' DG B 2 1.776 -6.761 20.995 1.00 0.00 O ATOM 289 C3' DG B 2 1.790 -8.590 19.432 1.00 0.00 C ATOM 290 O3' DG B 2 0.511 -9.174 19.286 1.00 0.00 O ATOM 291 C2' DG B 2 2.009 -7.235 18.775 1.00 0.00 C ATOM 292 C1' DG B 2 1.295 -6.317 19.755 1.00 0.00 C ATOM 293 N9 DG B 2 1.632 -4.896 19.522 1.00 0.00 N ATOM 294 C8 DG B 2 2.856 -4.386 19.183 1.00 0.00 C ATOM 295 N7 DG B 2 2.909 -3.088 19.133 1.00 0.00 N ATOM 296 C5 DG B 2 1.610 -2.700 19.432 1.00 0.00 C ATOM 297 C6 DG B 2 1.056 -1.391 19.530 1.00 0.00 C ATOM 298 O6 DG B 2 1.654 -0.322 19.470 1.00 0.00 O ATOM 299 N1 DG B 2 -0.323 -1.407 19.715 1.00 0.00 N ATOM 300 C2 DG B 2 -1.071 -2.558 19.881 1.00 0.00 C ATOM 301 N2 DG B 2 -2.390 -2.404 20.038 1.00 0.00 N ATOM 302 N3 DG B 2 -0.534 -3.792 19.882 1.00 0.00 N ATOM 303 C4 DG B 2 0.807 -3.798 19.639 1.00 0.00 C ATOM 0 H5' DG B 2 3.423 -7.979 22.436 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.267 -9.599 21.787 1.00 0.00 H new ATOM 0 H4' DG B 2 1.157 -8.702 21.454 1.00 0.00 H new ATOM 0 H3' DG B 2 2.458 -9.341 19.011 1.00 0.00 H new ATOM 0 H2' DG B 2 3.067 -6.991 18.677 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.577 -7.187 17.775 1.00 0.00 H new ATOM 0 H1' DG B 2 0.209 -6.359 19.669 1.00 0.00 H new ATOM 0 H8 DG B 2 3.710 -5.012 18.974 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.813 -0.513 19.729 1.00 0.00 H new ATOM 0 H21 DG B 2 -2.987 -3.221 20.164 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.799 -1.469 20.032 1.00 0.00 H new ATOM 315 P DC B 3 -0.165 -9.460 17.861 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.975 -10.695 17.962 1.00 0.00 O ATOM 317 OP2 DC B 3 0.850 -9.323 16.793 1.00 0.00 O ATOM 318 O5' DC B 3 -1.152 -8.194 17.809 1.00 0.00 O ATOM 319 C5' DC B 3 -2.256 -8.095 18.691 1.00 0.00 C ATOM 320 C4' DC B 3 -3.148 -6.934 18.259 1.00 0.00 C ATOM 321 O4' DC B 3 -2.457 -5.706 18.364 1.00 0.00 O ATOM 322 C3' DC B 3 -3.642 -7.101 16.814 1.00 0.00 C ATOM 323 O3' DC B 3 -5.059 -7.125 16.831 1.00 0.00 O ATOM 324 C2' DC B 3 -3.023 -5.911 16.102 1.00 0.00 C ATOM 325 C1' DC B 3 -2.740 -4.923 17.223 1.00 0.00 C ATOM 326 N1 DC B 3 -1.531 -4.135 16.876 1.00 0.00 N ATOM 327 C2 DC B 3 -1.612 -2.758 16.683 1.00 0.00 C ATOM 328 O2 DC B 3 -2.676 -2.152 16.784 1.00 0.00 O ATOM 329 N3 DC B 3 -0.465 -2.086 16.377 1.00 0.00 N ATOM 330 C4 DC B 3 0.707 -2.722 16.232 1.00 0.00 C ATOM 331 N4 DC B 3 1.808 -2.010 15.978 1.00 0.00 N ATOM 332 C5 DC B 3 0.795 -4.144 16.380 1.00 0.00 C ATOM 333 C6 DC B 3 -0.337 -4.791 16.720 1.00 0.00 C ATOM 0 H5' DC B 3 -1.907 -7.940 19.712 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.824 -9.025 18.686 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.009 -6.934 18.927 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.357 -8.022 16.305 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.110 -6.190 15.576 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.703 -5.491 15.361 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.576 -4.244 17.388 1.00 0.00 H new ATOM 0 H41 DC B 3 2.706 -2.481 15.866 1.00 0.00 H new ATOM 0 H42 DC B 3 1.751 -0.995 15.896 1.00 0.00 H new ATOM 0 H5 DC B 3 1.724 -4.672 16.226 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.303 -5.859 16.874 1.00 0.00 H new ATOM 345 P DT B 4 -5.953 -7.183 15.491 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.324 -7.590 15.868 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.213 -7.943 14.459 1.00 0.00 O ATOM 348 O5' DT B 4 -5.987 -5.633 15.054 1.00 0.00 O ATOM 349 C5' DT B 4 -6.478 -4.631 15.926 1.00 0.00 C ATOM 350 C4' DT B 4 -6.489 -3.266 15.235 1.00 0.00 C ATOM 351 O4' DT B 4 -5.160 -2.800 15.096 1.00 0.00 O ATOM 352 C3' DT B 4 -7.145 -3.306 13.853 1.00 0.00 C ATOM 353 O3' DT B 4 -8.300 -2.489 13.809 1.00 0.00 O ATOM 354 C2' DT B 4 -6.020 -2.853 12.925 1.00 0.00 C ATOM 355 C1' DT B 4 -5.021 -2.159 13.846 1.00 0.00 C ATOM 356 N1 DT B 4 -3.598 -2.275 13.412 1.00 0.00 N ATOM 357 C2 DT B 4 -2.828 -1.115 13.344 1.00 0.00 C ATOM 358 O2 DT B 4 -3.306 0.016 13.365 1.00 0.00 O ATOM 359 N3 DT B 4 -1.456 -1.294 13.247 1.00 0.00 N ATOM 360 C4 DT B 4 -0.781 -2.503 13.202 1.00 0.00 C ATOM 361 O4 DT B 4 0.447 -2.512 13.129 1.00 0.00 O ATOM 362 C5 DT B 4 -1.649 -3.669 13.247 1.00 0.00 C ATOM 363 C7 DT B 4 -1.043 -5.067 13.269 1.00 0.00 C ATOM 364 C6 DT B 4 -2.997 -3.513 13.338 1.00 0.00 C ATOM 0 H5' DT B 4 -5.857 -4.585 16.821 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.487 -4.887 16.250 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.078 -2.596 15.861 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.525 -4.286 13.565 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.564 -3.699 12.411 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.389 -2.174 12.156 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.238 -1.091 13.856 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.886 -0.449 13.204 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.705 -5.742 13.812 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.918 -5.426 12.247 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.072 -5.035 13.763 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.621 -4.394 13.353 1.00 0.00 H new ATOM 377 P DA B 5 -9.224 -2.394 12.487 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.611 -2.092 12.905 1.00 0.00 O ATOM 379 OP2 DA B 5 -8.953 -3.564 11.622 1.00 0.00 O ATOM 380 O5' DA B 5 -8.609 -1.089 11.776 1.00 0.00 O ATOM 381 C5' DA B 5 -8.853 0.194 12.309 1.00 0.00 C ATOM 382 C4' DA B 5 -8.038 1.280 11.611 1.00 0.00 C ATOM 383 O4' DA B 5 -6.670 0.910 11.641 1.00 0.00 O ATOM 384 C3' DA B 5 -8.452 1.436 10.140 1.00 0.00 C ATOM 385 O3' DA B 5 -8.251 2.741 9.653 1.00 0.00 O ATOM 386 C2' DA B 5 -7.413 0.587 9.447 1.00 0.00 C ATOM 387 C1' DA B 5 -6.199 0.928 10.312 1.00 0.00 C ATOM 388 N9 DA B 5 -5.070 -0.004 10.130 1.00 0.00 N ATOM 389 C8 DA B 5 -5.080 -1.351 9.884 1.00 0.00 C ATOM 390 N7 DA B 5 -3.891 -1.896 9.854 1.00 0.00 N ATOM 391 C5 DA B 5 -3.029 -0.823 10.065 1.00 0.00 C ATOM 392 C6 DA B 5 -1.622 -0.691 10.138 1.00 0.00 C ATOM 393 N6 DA B 5 -0.769 -1.720 10.047 1.00 0.00 N ATOM 394 N1 DA B 5 -1.108 0.541 10.315 1.00 0.00 N ATOM 395 C2 DA B 5 -1.931 1.579 10.436 1.00 0.00 C ATOM 396 N3 DA B 5 -3.255 1.585 10.421 1.00 0.00 N ATOM 397 C4 DA B 5 -3.748 0.336 10.226 1.00 0.00 C ATOM 0 H5' DA B 5 -8.616 0.193 13.373 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.914 0.426 12.219 1.00 0.00 H new ATOM 0 H4' DA B 5 -8.213 2.223 12.130 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.503 1.184 9.994 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.658 -0.475 9.467 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.275 0.863 8.402 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.793 1.899 10.028 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.989 -1.914 9.729 1.00 0.00 H new ATOM 0 H61 DA B 5 0.236 -1.556 10.108 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.125 -2.667 9.917 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.458 2.542 10.563 1.00 0.00 H new ATOM 409 P DG B 6 -9.330 3.909 9.829 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.508 4.205 11.268 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.501 3.608 8.977 1.00 0.00 O ATOM 412 O5' DG B 6 -8.490 5.098 9.152 1.00 0.00 O ATOM 413 C5' DG B 6 -7.226 5.492 9.657 1.00 0.00 C ATOM 414 C4' DG B 6 -6.051 5.223 8.698 1.00 0.00 C ATOM 415 O4' DG B 6 -5.329 4.002 8.874 1.00 0.00 O ATOM 416 C3' DG B 6 -6.357 5.325 7.195 1.00 0.00 C ATOM 417 O3' DG B 6 -5.980 6.605 6.713 1.00 0.00 O ATOM 418 C2' DG B 6 -5.595 4.136 6.624 1.00 0.00 C ATOM 419 C1' DG B 6 -4.569 3.809 7.685 1.00 0.00 C ATOM 420 N9 DG B 6 -3.951 2.477 7.452 1.00 0.00 N ATOM 421 C8 DG B 6 -4.524 1.272 7.115 1.00 0.00 C ATOM 422 N7 DG B 6 -3.676 0.302 6.934 1.00 0.00 N ATOM 423 C5 DG B 6 -2.443 0.910 7.109 1.00 0.00 C ATOM 424 C6 DG B 6 -1.135 0.359 7.003 1.00 0.00 C ATOM 425 O6 DG B 6 -0.829 -0.819 6.854 1.00 0.00 O ATOM 426 N1 DG B 6 -0.143 1.332 7.087 1.00 0.00 N ATOM 427 C2 DG B 6 -0.377 2.675 7.300 1.00 0.00 C ATOM 428 N2 DG B 6 0.684 3.488 7.310 1.00 0.00 N ATOM 429 N3 DG B 6 -1.607 3.183 7.462 1.00 0.00 N ATOM 430 C4 DG B 6 -2.596 2.253 7.351 1.00 0.00 C ATOM 0 H5' DG B 6 -7.042 4.967 10.595 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.255 6.557 9.888 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.428 6.059 9.014 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.407 5.265 6.909 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.258 3.291 6.437 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.121 4.385 5.675 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.669 4.424 7.712 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.591 1.142 7.009 1.00 0.00 H new ATOM 0 H1 DG B 6 0.826 1.031 6.984 1.00 0.00 H new ATOM 0 H21 DG B 6 0.558 4.488 7.464 1.00 0.00 H new ATOM 0 H22 DG B 6 1.619 3.108 7.164 1.00 0.00 H new ATOM 442 P DC B 7 -5.901 6.984 5.142 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.203 8.426 4.998 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.665 5.989 4.356 1.00 0.00 O ATOM 445 O5' DC B 7 -4.325 6.767 4.864 1.00 0.00 O ATOM 446 C5' DC B 7 -3.376 7.389 5.708 1.00 0.00 C ATOM 447 C4' DC B 7 -1.932 7.277 5.217 1.00 0.00 C ATOM 448 O4' DC B 7 -1.449 5.959 5.403 1.00 0.00 O ATOM 449 C3' DC B 7 -1.752 7.707 3.764 1.00 0.00 C ATOM 450 O3' DC B 7 -0.616 8.553 3.664 1.00 0.00 O ATOM 451 C2' DC B 7 -1.584 6.351 3.126 1.00 0.00 C ATOM 452 C1' DC B 7 -0.898 5.500 4.190 1.00 0.00 C ATOM 453 N1 DC B 7 -1.248 4.065 4.021 1.00 0.00 N ATOM 454 C2 DC B 7 -0.263 3.079 3.901 1.00 0.00 C ATOM 455 O2 DC B 7 0.932 3.362 3.863 1.00 0.00 O ATOM 456 N3 DC B 7 -0.663 1.773 3.827 1.00 0.00 N ATOM 457 C4 DC B 7 -1.965 1.440 3.868 1.00 0.00 C ATOM 458 N4 DC B 7 -2.315 0.153 3.817 1.00 0.00 N ATOM 459 C5 DC B 7 -2.983 2.439 4.005 1.00 0.00 C ATOM 460 C6 DC B 7 -2.571 3.717 4.078 1.00 0.00 C ATOM 0 H5' DC B 7 -3.445 6.947 6.702 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.633 8.443 5.810 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.347 7.971 5.820 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.547 8.294 3.304 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.547 5.927 2.840 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.981 6.412 2.220 1.00 0.00 H new ATOM 0 H1' DC B 7 0.188 5.582 4.140 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.300 -0.109 3.848 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.597 -0.568 3.748 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.030 2.178 4.048 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.310 4.497 4.185 1.00 0.00 H new ATOM 472 P DG B 8 -0.155 9.240 2.276 1.00 0.00 P ATOM 473 OP1 DG B 8 0.769 10.351 2.594 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.355 9.495 1.449 1.00 0.00 O ATOM 475 O5' DG B 8 0.696 8.066 1.576 1.00 0.00 O ATOM 476 C5' DG B 8 1.886 7.575 2.162 1.00 0.00 C ATOM 477 C4' DG B 8 2.463 6.427 1.328 1.00 0.00 C ATOM 478 O4' DG B 8 1.715 5.247 1.572 1.00 0.00 O ATOM 479 C3' DG B 8 2.443 6.681 -0.190 1.00 0.00 C ATOM 480 O3' DG B 8 3.686 6.352 -0.774 1.00 0.00 O ATOM 481 C2' DG B 8 1.370 5.705 -0.663 1.00 0.00 C ATOM 482 C1' DG B 8 1.575 4.579 0.341 1.00 0.00 C ATOM 483 N9 DG B 8 0.474 3.591 0.381 1.00 0.00 N ATOM 484 C8 DG B 8 -0.885 3.792 0.355 1.00 0.00 C ATOM 485 N7 DG B 8 -1.584 2.699 0.490 1.00 0.00 N ATOM 486 C5 DG B 8 -0.626 1.695 0.600 1.00 0.00 C ATOM 487 C6 DG B 8 -0.776 0.283 0.764 1.00 0.00 C ATOM 488 O6 DG B 8 -1.816 -0.363 0.864 1.00 0.00 O ATOM 489 N1 DG B 8 0.448 -0.384 0.806 1.00 0.00 N ATOM 490 C2 DG B 8 1.677 0.237 0.694 1.00 0.00 C ATOM 491 N2 DG B 8 2.762 -0.544 0.726 1.00 0.00 N ATOM 492 N3 DG B 8 1.821 1.564 0.561 1.00 0.00 N ATOM 493 C4 DG B 8 0.636 2.233 0.521 1.00 0.00 C ATOM 0 H5' DG B 8 1.683 7.229 3.176 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.618 8.379 2.240 1.00 0.00 H new ATOM 0 H4' DG B 8 3.505 6.333 1.634 1.00 0.00 H new ATOM 0 H3' DG B 8 2.253 7.721 -0.453 1.00 0.00 H new ATOM 0 H2' DG B 8 0.368 6.131 -0.613 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.527 5.380 -1.692 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.649 6.520 -1.739 1.00 0.00 H new ATOM 0 H1' DG B 8 2.440 3.972 0.072 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.334 4.767 0.234 1.00 0.00 H new ATOM 0 H1 DG B 8 0.435 -1.397 0.927 1.00 0.00 H new ATOM 0 H21 DG B 8 3.691 -0.130 0.647 1.00 0.00 H new ATOM 0 H22 DG B 8 2.661 -1.554 0.830 1.00 0.00 H new TER 506 DG B 8