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= -1.44! (180deg=-1.44!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 26:sc= 0.00204 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.59! (180deg=-1.59!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.906 -9.059 -1.668 1.00 0.00 O ATOM 2 C5' DC A 1 3.904 -9.440 -0.308 1.00 0.00 C ATOM 3 C4' DC A 1 4.227 -8.233 0.578 1.00 0.00 C ATOM 4 O4' DC A 1 3.226 -7.241 0.479 1.00 0.00 O ATOM 5 C3' DC A 1 4.371 -8.597 2.059 1.00 0.00 C ATOM 6 O3' DC A 1 5.772 -8.710 2.275 1.00 0.00 O ATOM 7 C2' DC A 1 3.672 -7.400 2.760 1.00 0.00 C ATOM 8 C1' DC A 1 3.351 -6.423 1.621 1.00 0.00 C ATOM 9 N1 DC A 1 2.121 -5.622 1.838 1.00 0.00 N ATOM 10 C2 DC A 1 2.145 -4.226 1.791 1.00 0.00 C ATOM 11 O2 DC A 1 3.196 -3.608 1.635 1.00 0.00 O ATOM 12 N3 DC A 1 0.963 -3.553 1.922 1.00 0.00 N ATOM 13 C4 DC A 1 -0.195 -4.210 2.102 1.00 0.00 C ATOM 14 N4 DC A 1 -1.324 -3.507 2.241 1.00 0.00 N ATOM 15 C5 DC A 1 -0.241 -5.646 2.097 1.00 0.00 C ATOM 16 C6 DC A 1 0.940 -6.287 1.955 1.00 0.00 C ATOM 0 H5' DC A 1 4.638 -10.229 -0.142 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.930 -9.849 -0.038 1.00 0.00 H new ATOM 0 H4' DC A 1 5.182 -7.859 0.210 1.00 0.00 H new ATOM 0 H3' DC A 1 3.930 -9.525 2.422 1.00 0.00 H new ATOM 0 H2' DC A 1 2.767 -7.717 3.278 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.322 -6.941 3.505 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.700 -9.838 -2.226 1.00 0.00 H new ATOM 0 H1' DC A 1 4.137 -5.672 1.534 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.212 -3.990 2.378 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.297 -2.488 2.210 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.171 -6.185 2.201 1.00 0.00 H new ATOM 0 H6 DC A 1 0.947 -7.367 1.934 1.00 0.00 H new ATOM 29 P DG A 2 6.491 -8.556 3.707 1.00 0.00 P ATOM 30 OP1 DG A 2 7.865 -9.094 3.589 1.00 0.00 O ATOM 31 OP2 DG A 2 5.581 -9.080 4.749 1.00 0.00 O ATOM 32 O5' DG A 2 6.594 -6.952 3.874 1.00 0.00 O ATOM 33 C5' DG A 2 7.151 -6.117 2.871 1.00 0.00 C ATOM 34 C4' DG A 2 7.277 -4.678 3.355 1.00 0.00 C ATOM 35 O4' DG A 2 6.010 -4.054 3.221 1.00 0.00 O ATOM 36 C3' DG A 2 7.736 -4.565 4.814 1.00 0.00 C ATOM 37 O3' DG A 2 8.697 -3.531 4.875 1.00 0.00 O ATOM 38 C2' DG A 2 6.389 -4.277 5.465 1.00 0.00 C ATOM 39 C1' DG A 2 5.752 -3.374 4.420 1.00 0.00 C ATOM 40 N9 DG A 2 4.300 -3.197 4.638 1.00 0.00 N ATOM 41 C8 DG A 2 3.406 -4.141 5.064 1.00 0.00 C ATOM 42 N7 DG A 2 2.164 -3.753 5.060 1.00 0.00 N ATOM 43 C5 DG A 2 2.236 -2.436 4.621 1.00 0.00 C ATOM 44 C6 DG A 2 1.190 -1.494 4.391 1.00 0.00 C ATOM 45 O6 DG A 2 -0.020 -1.690 4.441 1.00 0.00 O ATOM 46 N1 DG A 2 1.673 -0.227 4.077 1.00 0.00 N ATOM 47 C2 DG A 2 3.012 0.071 3.899 1.00 0.00 C ATOM 48 N2 DG A 2 3.314 1.336 3.587 1.00 0.00 N ATOM 49 N3 DG A 2 3.993 -0.841 4.019 1.00 0.00 N ATOM 50 C4 DG A 2 3.543 -2.071 4.394 1.00 0.00 C ATOM 0 H5' DG A 2 6.525 -6.149 1.979 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.133 -6.494 2.585 1.00 0.00 H new ATOM 0 H4' DG A 2 8.040 -4.192 2.747 1.00 0.00 H new ATOM 0 H3' DG A 2 8.236 -5.407 5.292 1.00 0.00 H new ATOM 0 H2' DG A 2 5.810 -5.185 5.634 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.494 -3.781 6.430 1.00 0.00 H new ATOM 0 H1' DG A 2 6.153 -2.361 4.442 1.00 0.00 H new ATOM 0 H8 DG A 2 3.707 -5.129 5.378 1.00 0.00 H new ATOM 0 H1 DG A 2 0.997 0.529 3.971 1.00 0.00 H new ATOM 0 H21 DG A 2 4.287 1.608 3.445 1.00 0.00 H new ATOM 0 H22 DG A 2 2.571 2.029 3.491 1.00 0.00 H new ATOM 62 P DC A 3 9.217 -2.891 6.252 1.00 0.00 P ATOM 63 OP1 DC A 3 10.654 -2.568 6.108 1.00 0.00 O ATOM 64 OP2 DC A 3 8.754 -3.717 7.390 1.00 0.00 O ATOM 65 O5' DC A 3 8.373 -1.524 6.222 1.00 0.00 O ATOM 66 C5' DC A 3 8.639 -0.533 5.245 1.00 0.00 C ATOM 67 C4' DC A 3 7.883 0.753 5.570 1.00 0.00 C ATOM 68 O4' DC A 3 6.491 0.532 5.462 1.00 0.00 O ATOM 69 C3' DC A 3 8.195 1.262 6.985 1.00 0.00 C ATOM 70 O3' DC A 3 8.705 2.579 6.867 1.00 0.00 O ATOM 71 C2' DC A 3 6.860 1.144 7.699 1.00 0.00 C ATOM 72 C1' DC A 3 5.844 1.125 6.568 1.00 0.00 C ATOM 73 N1 DC A 3 4.694 0.276 6.960 1.00 0.00 N ATOM 74 C2 DC A 3 3.419 0.826 7.070 1.00 0.00 C ATOM 75 O2 DC A 3 3.206 2.014 6.846 1.00 0.00 O ATOM 76 N3 DC A 3 2.395 0.003 7.436 1.00 0.00 N ATOM 77 C4 DC A 3 2.597 -1.293 7.714 1.00 0.00 C ATOM 78 N4 DC A 3 1.550 -2.064 8.017 1.00 0.00 N ATOM 79 C5 DC A 3 3.910 -1.862 7.647 1.00 0.00 C ATOM 80 C6 DC A 3 4.908 -1.050 7.245 1.00 0.00 C ATOM 0 H5' DC A 3 8.345 -0.896 4.260 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.710 -0.332 5.204 1.00 0.00 H new ATOM 0 H4' DC A 3 8.207 1.508 4.854 1.00 0.00 H new ATOM 0 H3' DC A 3 8.953 0.716 7.546 1.00 0.00 H new ATOM 0 H2' DC A 3 6.807 0.236 8.300 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.692 1.983 8.374 1.00 0.00 H new ATOM 0 H1' DC A 3 5.485 2.128 6.338 1.00 0.00 H new ATOM 0 H41 DC A 3 1.689 -3.052 8.231 1.00 0.00 H new ATOM 0 H42 DC A 3 0.611 -1.665 8.035 1.00 0.00 H new ATOM 0 H5 DC A 3 4.092 -2.894 7.907 1.00 0.00 H new ATOM 0 H6 DC A 3 5.905 -1.454 7.144 1.00 0.00 H new ATOM 92 P DT A 4 9.059 3.506 8.136 1.00 0.00 P ATOM 93 OP1 DT A 4 9.919 4.617 7.671 1.00 0.00 O ATOM 94 OP2 DT A 4 9.509 2.639 9.247 1.00 0.00 O ATOM 95 O5' DT A 4 7.616 4.111 8.518 1.00 0.00 O ATOM 96 C5' DT A 4 6.843 4.836 7.579 1.00 0.00 C ATOM 97 C4' DT A 4 5.564 5.351 8.245 1.00 0.00 C ATOM 98 O4' DT A 4 4.677 4.268 8.468 1.00 0.00 O ATOM 99 C3' DT A 4 5.828 6.045 9.588 1.00 0.00 C ATOM 100 O3' DT A 4 5.275 7.349 9.576 1.00 0.00 O ATOM 101 C2' DT A 4 5.169 5.096 10.593 1.00 0.00 C ATOM 102 C1' DT A 4 4.101 4.395 9.752 1.00 0.00 C ATOM 103 N1 DT A 4 3.704 3.040 10.237 1.00 0.00 N ATOM 104 C2 DT A 4 2.347 2.711 10.244 1.00 0.00 C ATOM 105 O2 DT A 4 1.449 3.536 10.088 1.00 0.00 O ATOM 106 N3 DT A 4 2.037 1.373 10.439 1.00 0.00 N ATOM 107 C4 DT A 4 2.942 0.339 10.623 1.00 0.00 C ATOM 108 O4 DT A 4 2.536 -0.809 10.790 1.00 0.00 O ATOM 109 C5 DT A 4 4.334 0.752 10.595 1.00 0.00 C ATOM 110 C7 DT A 4 5.439 -0.292 10.683 1.00 0.00 C ATOM 111 C6 DT A 4 4.655 2.059 10.421 1.00 0.00 C ATOM 0 H5' DT A 4 6.591 4.198 6.732 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.422 5.672 7.187 1.00 0.00 H new ATOM 0 H4' DT A 4 5.131 6.086 7.567 1.00 0.00 H new ATOM 0 H3' DT A 4 6.879 6.205 9.829 1.00 0.00 H new ATOM 0 H2' DT A 4 5.885 4.387 11.009 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.732 5.637 11.432 1.00 0.00 H new ATOM 0 H1' DT A 4 3.184 4.983 9.789 1.00 0.00 H new ATOM 0 H3 DT A 4 1.047 1.126 10.448 1.00 0.00 H new ATOM 0 H71 DT A 4 6.317 0.061 10.142 1.00 0.00 H new ATOM 0 H72 DT A 4 5.699 -0.459 11.728 1.00 0.00 H new ATOM 0 H73 DT A 4 5.093 -1.226 10.241 1.00 0.00 H new ATOM 0 H6 DT A 4 5.697 2.342 10.427 1.00 0.00 H new ATOM 124 P DA A 5 5.325 8.320 10.866 1.00 0.00 P ATOM 125 OP1 DA A 5 5.289 9.723 10.397 1.00 0.00 O ATOM 126 OP2 DA A 5 6.407 7.870 11.770 1.00 0.00 O ATOM 127 O5' DA A 5 3.908 7.974 11.551 1.00 0.00 O ATOM 128 C5' DA A 5 2.708 8.310 10.889 1.00 0.00 C ATOM 129 C4' DA A 5 1.474 7.863 11.654 1.00 0.00 C ATOM 130 O4' DA A 5 1.391 6.461 11.733 1.00 0.00 O ATOM 131 C3' DA A 5 1.407 8.441 13.072 1.00 0.00 C ATOM 132 O3' DA A 5 0.316 9.341 13.063 1.00 0.00 O ATOM 133 C2' DA A 5 1.339 7.192 13.944 1.00 0.00 C ATOM 134 C1' DA A 5 0.822 6.135 12.981 1.00 0.00 C ATOM 135 N9 DA A 5 1.249 4.757 13.290 1.00 0.00 N ATOM 136 C8 DA A 5 2.525 4.264 13.379 1.00 0.00 C ATOM 137 N7 DA A 5 2.593 2.963 13.471 1.00 0.00 N ATOM 138 C5 DA A 5 1.261 2.562 13.434 1.00 0.00 C ATOM 139 C6 DA A 5 0.620 1.303 13.471 1.00 0.00 C ATOM 140 N6 DA A 5 1.281 0.141 13.534 1.00 0.00 N ATOM 141 N1 DA A 5 -0.726 1.273 13.432 1.00 0.00 N ATOM 142 C2 DA A 5 -1.398 2.417 13.326 1.00 0.00 C ATOM 143 N3 DA A 5 -0.917 3.649 13.234 1.00 0.00 N ATOM 144 C4 DA A 5 0.438 3.654 13.306 1.00 0.00 C ATOM 0 H5' DA A 5 2.703 7.853 9.900 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.669 9.389 10.742 1.00 0.00 H new ATOM 0 H4' DA A 5 0.629 8.250 11.085 1.00 0.00 H new ATOM 0 H3' DA A 5 2.233 9.040 13.457 1.00 0.00 H new ATOM 0 H2' DA A 5 2.316 6.927 14.348 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.669 7.328 14.793 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.267 6.143 13.026 1.00 0.00 H new ATOM 0 H8 DA A 5 3.400 4.898 13.374 1.00 0.00 H new ATOM 0 H61 DA A 5 0.765 -0.739 13.558 1.00 0.00 H new ATOM 0 H62 DA A 5 2.301 0.135 13.558 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.474 2.330 13.313 1.00 0.00 H new ATOM 156 P DG A 6 -0.195 10.112 14.367 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.954 11.312 13.951 1.00 0.00 O ATOM 158 OP2 DG A 6 0.915 10.226 15.340 1.00 0.00 O ATOM 159 O5' DG A 6 -1.220 9.000 14.873 1.00 0.00 O ATOM 160 C5' DG A 6 -2.374 8.662 14.127 1.00 0.00 C ATOM 161 C4' DG A 6 -3.074 7.498 14.825 1.00 0.00 C ATOM 162 O4' DG A 6 -2.341 6.283 14.638 1.00 0.00 O ATOM 163 C3' DG A 6 -3.156 7.778 16.337 1.00 0.00 C ATOM 164 O3' DG A 6 -4.471 7.648 16.835 1.00 0.00 O ATOM 165 C2' DG A 6 -2.188 6.724 16.839 1.00 0.00 C ATOM 166 C1' DG A 6 -2.387 5.589 15.866 1.00 0.00 C ATOM 167 N9 DG A 6 -1.364 4.542 16.104 1.00 0.00 N ATOM 168 C8 DG A 6 -0.010 4.667 16.315 1.00 0.00 C ATOM 169 N7 DG A 6 0.608 3.543 16.535 1.00 0.00 N ATOM 170 C5 DG A 6 -0.409 2.601 16.503 1.00 0.00 C ATOM 171 C6 DG A 6 -0.345 1.190 16.677 1.00 0.00 C ATOM 172 O6 DG A 6 0.659 0.501 16.823 1.00 0.00 O ATOM 173 N1 DG A 6 -1.604 0.596 16.666 1.00 0.00 N ATOM 174 C2 DG A 6 -2.791 1.279 16.483 1.00 0.00 C ATOM 175 N2 DG A 6 -3.920 0.566 16.543 1.00 0.00 N ATOM 176 N3 DG A 6 -2.848 2.604 16.280 1.00 0.00 N ATOM 177 C4 DG A 6 -1.626 3.206 16.300 1.00 0.00 C ATOM 0 H5' DG A 6 -2.100 8.385 13.109 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.044 9.519 14.055 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.071 7.395 14.397 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.905 8.792 16.649 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.160 7.085 16.833 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.414 6.423 17.862 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.307 5.009 15.935 1.00 0.00 H new ATOM 0 H8 DG A 6 0.498 5.620 16.299 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.654 -0.414 16.803 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.821 1.026 16.414 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.880 -0.438 16.718 1.00 0.00 H new ATOM 189 P DC A 7 -4.820 7.829 18.408 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.092 8.576 18.520 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.620 8.303 19.134 1.00 0.00 O ATOM 192 O5' DC A 7 -5.090 6.293 18.809 1.00 0.00 O ATOM 193 C5' DC A 7 -6.046 5.564 18.073 1.00 0.00 C ATOM 194 C4' DC A 7 -6.379 4.184 18.628 1.00 0.00 C ATOM 195 O4' DC A 7 -5.311 3.293 18.378 1.00 0.00 O ATOM 196 C3' DC A 7 -6.718 4.192 20.118 1.00 0.00 C ATOM 197 O3' DC A 7 -7.920 3.463 20.309 1.00 0.00 O ATOM 198 C2' DC A 7 -5.478 3.540 20.695 1.00 0.00 C ATOM 199 C1' DC A 7 -4.971 2.639 19.576 1.00 0.00 C ATOM 200 N1 DC A 7 -3.491 2.530 19.638 1.00 0.00 N ATOM 201 C2 DC A 7 -2.872 1.296 19.855 1.00 0.00 C ATOM 202 O2 DC A 7 -3.524 0.265 20.004 1.00 0.00 O ATOM 203 N3 DC A 7 -1.507 1.255 19.897 1.00 0.00 N ATOM 204 C4 DC A 7 -0.774 2.371 19.747 1.00 0.00 C ATOM 205 N4 DC A 7 0.559 2.281 19.752 1.00 0.00 N ATOM 206 C5 DC A 7 -1.394 3.639 19.501 1.00 0.00 C ATOM 207 C6 DC A 7 -2.738 3.663 19.441 1.00 0.00 C ATOM 0 H5' DC A 7 -5.684 5.449 17.051 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.965 6.149 18.022 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.278 3.849 18.110 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.914 5.157 20.585 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.732 4.283 20.976 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.711 2.967 21.592 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.400 1.640 19.653 1.00 0.00 H new ATOM 0 H41 DC A 7 1.127 3.120 19.639 1.00 0.00 H new ATOM 0 H42 DC A 7 1.008 1.373 19.869 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.808 4.537 19.369 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.238 4.597 19.233 1.00 0.00 H new ATOM 219 P DG A 8 -8.652 3.343 21.742 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.022 2.828 21.521 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.451 4.604 22.488 1.00 0.00 O ATOM 222 O5' DG A 8 -7.793 2.189 22.460 1.00 0.00 O ATOM 223 C5' DG A 8 -7.727 0.883 21.923 1.00 0.00 C ATOM 224 C4' DG A 8 -6.795 0.001 22.759 1.00 0.00 C ATOM 225 O4' DG A 8 -5.452 0.257 22.385 1.00 0.00 O ATOM 226 C3' DG A 8 -6.898 0.225 24.280 1.00 0.00 C ATOM 227 O3' DG A 8 -7.010 -1.006 24.966 1.00 0.00 O ATOM 228 C2' DG A 8 -5.565 0.886 24.605 1.00 0.00 C ATOM 229 C1' DG A 8 -4.677 0.227 23.561 1.00 0.00 C ATOM 230 N9 DG A 8 -3.374 0.900 23.375 1.00 0.00 N ATOM 231 C8 DG A 8 -3.076 2.240 23.330 1.00 0.00 C ATOM 232 N7 DG A 8 -1.813 2.492 23.121 1.00 0.00 N ATOM 233 C5 DG A 8 -1.227 1.233 23.018 1.00 0.00 C ATOM 234 C6 DG A 8 0.131 0.853 22.779 1.00 0.00 C ATOM 235 O6 DG A 8 1.107 1.582 22.620 1.00 0.00 O ATOM 236 N1 DG A 8 0.300 -0.530 22.732 1.00 0.00 N ATOM 237 C2 DG A 8 -0.720 -1.446 22.909 1.00 0.00 C ATOM 238 N2 DG A 8 -0.399 -2.741 22.855 1.00 0.00 N ATOM 239 N3 DG A 8 -1.995 -1.092 23.124 1.00 0.00 N ATOM 240 C4 DG A 8 -2.181 0.254 23.165 1.00 0.00 C ATOM 0 H5' DG A 8 -7.370 0.925 20.894 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.724 0.444 21.897 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.104 -1.025 22.557 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.769 0.812 24.571 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.601 1.970 24.496 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.235 0.678 25.623 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.072 -0.839 25.930 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.397 -0.782 23.865 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.819 3.014 23.456 1.00 0.00 H new ATOM 0 H1 DG A 8 1.238 -0.890 22.555 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.121 -3.451 22.980 1.00 0.00 H new ATOM 0 H22 DG A 8 0.568 -3.020 22.688 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 8.265 -5.688 23.997 1.00 0.00 O ATOM 255 C5' DC B 1 7.324 -6.690 24.322 1.00 0.00 C ATOM 256 C4' DC B 1 6.106 -6.617 23.396 1.00 0.00 C ATOM 257 O4' DC B 1 5.465 -5.362 23.494 1.00 0.00 O ATOM 258 C3' DC B 1 6.415 -6.885 21.919 1.00 0.00 C ATOM 259 O3' DC B 1 6.053 -8.243 21.706 1.00 0.00 O ATOM 260 C2' DC B 1 5.521 -5.834 21.210 1.00 0.00 C ATOM 261 C1' DC B 1 4.678 -5.218 22.334 1.00 0.00 C ATOM 262 N1 DC B 1 4.333 -3.792 22.108 1.00 0.00 N ATOM 263 C2 DC B 1 3.006 -3.356 22.111 1.00 0.00 C ATOM 264 O2 DC B 1 2.072 -4.145 22.238 1.00 0.00 O ATOM 265 N3 DC B 1 2.763 -2.018 21.969 1.00 0.00 N ATOM 266 C4 DC B 1 3.771 -1.141 21.819 1.00 0.00 C ATOM 267 N4 DC B 1 3.485 0.157 21.667 1.00 0.00 N ATOM 268 C5 DC B 1 5.141 -1.570 21.871 1.00 0.00 C ATOM 269 C6 DC B 1 5.353 -2.896 22.024 1.00 0.00 C ATOM 0 H5' DC B 1 7.006 -6.573 25.358 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.790 -7.672 24.240 1.00 0.00 H new ATOM 0 H4' DC B 1 5.453 -7.417 23.744 1.00 0.00 H new ATOM 0 H3' DC B 1 7.441 -6.783 21.565 1.00 0.00 H new ATOM 0 H2' DC B 1 6.123 -5.078 20.706 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.891 -6.298 20.451 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.807 -4.936 23.567 1.00 0.00 H new ATOM 0 H1' DC B 1 3.714 -5.721 22.402 1.00 0.00 H new ATOM 0 H41 DC B 1 4.238 0.835 21.552 1.00 0.00 H new ATOM 0 H42 DC B 1 2.514 0.468 21.666 1.00 0.00 H new ATOM 0 H5 DC B 1 5.959 -0.869 21.792 1.00 0.00 H new ATOM 0 H6 DC B 1 6.369 -3.257 22.082 1.00 0.00 H new ATOM 282 P DG B 2 5.719 -8.884 20.267 1.00 0.00 P ATOM 283 OP1 DG B 2 5.763 -10.357 20.400 1.00 0.00 O ATOM 284 OP2 DG B 2 6.553 -8.210 19.246 1.00 0.00 O ATOM 285 O5' DG B 2 4.180 -8.446 20.042 1.00 0.00 O ATOM 286 C5' DG B 2 3.173 -8.694 21.010 1.00 0.00 C ATOM 287 C4' DG B 2 1.796 -8.313 20.485 1.00 0.00 C ATOM 288 O4' DG B 2 1.637 -6.910 20.618 1.00 0.00 O ATOM 289 C3' DG B 2 1.577 -8.703 19.017 1.00 0.00 C ATOM 290 O3' DG B 2 0.288 -9.275 18.925 1.00 0.00 O ATOM 291 C2' DG B 2 1.767 -7.332 18.380 1.00 0.00 C ATOM 292 C1' DG B 2 1.096 -6.440 19.413 1.00 0.00 C ATOM 293 N9 DG B 2 1.415 -5.011 19.202 1.00 0.00 N ATOM 294 C8 DG B 2 2.617 -4.482 18.819 1.00 0.00 C ATOM 295 N7 DG B 2 2.663 -3.181 18.821 1.00 0.00 N ATOM 296 C5 DG B 2 1.382 -2.812 19.212 1.00 0.00 C ATOM 297 C6 DG B 2 0.832 -1.513 19.418 1.00 0.00 C ATOM 298 O6 DG B 2 1.420 -0.436 19.390 1.00 0.00 O ATOM 299 N1 DG B 2 -0.534 -1.548 19.679 1.00 0.00 N ATOM 300 C2 DG B 2 -1.267 -2.711 19.833 1.00 0.00 C ATOM 301 N2 DG B 2 -2.571 -2.575 20.092 1.00 0.00 N ATOM 302 N3 DG B 2 -0.727 -3.939 19.739 1.00 0.00 N ATOM 303 C4 DG B 2 0.595 -3.924 19.413 1.00 0.00 C ATOM 0 H5' DG B 2 3.389 -8.127 21.916 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.181 -9.749 21.284 1.00 0.00 H new ATOM 0 H4' DG B 2 1.060 -8.862 21.072 1.00 0.00 H new ATOM 0 H3' DG B 2 2.218 -9.448 18.546 1.00 0.00 H new ATOM 0 H2' DG B 2 2.819 -7.084 18.241 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.291 -7.262 17.402 1.00 0.00 H new ATOM 0 H1' DG B 2 0.008 -6.486 19.374 1.00 0.00 H new ATOM 0 H8 DG B 2 3.461 -5.095 18.537 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.027 -0.659 19.762 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.156 -3.402 20.214 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.982 -1.644 20.168 1.00 0.00 H new ATOM 315 P DC B 3 -0.458 -9.539 17.531 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.256 -10.779 17.650 1.00 0.00 O ATOM 317 OP2 DC B 3 0.502 -9.379 16.416 1.00 0.00 O ATOM 318 O5' DC B 3 -1.452 -8.277 17.548 1.00 0.00 O ATOM 319 C5' DC B 3 -2.512 -8.200 18.485 1.00 0.00 C ATOM 320 C4' DC B 3 -3.432 -7.038 18.118 1.00 0.00 C ATOM 321 O4' DC B 3 -2.741 -5.810 18.222 1.00 0.00 O ATOM 322 C3' DC B 3 -3.992 -7.174 16.694 1.00 0.00 C ATOM 323 O3' DC B 3 -5.407 -7.214 16.769 1.00 0.00 O ATOM 324 C2' DC B 3 -3.420 -5.959 15.984 1.00 0.00 C ATOM 325 C1' DC B 3 -3.078 -5.000 17.116 1.00 0.00 C ATOM 326 N1 DC B 3 -1.887 -4.202 16.739 1.00 0.00 N ATOM 327 C2 DC B 3 -1.968 -2.815 16.629 1.00 0.00 C ATOM 328 O2 DC B 3 -3.021 -2.211 16.821 1.00 0.00 O ATOM 329 N3 DC B 3 -0.834 -2.132 16.302 1.00 0.00 N ATOM 330 C4 DC B 3 0.325 -2.764 16.062 1.00 0.00 C ATOM 331 N4 DC B 3 1.415 -2.042 15.790 1.00 0.00 N ATOM 332 C5 DC B 3 0.412 -4.191 16.133 1.00 0.00 C ATOM 333 C6 DC B 3 -0.705 -4.853 16.494 1.00 0.00 C ATOM 0 H5' DC B 3 -2.114 -8.059 19.490 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.074 -9.134 18.493 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.265 -7.060 18.820 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.721 -8.081 16.154 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.537 -6.217 15.399 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.143 -5.522 15.295 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.906 -4.326 17.333 1.00 0.00 H new ATOM 0 H41 DC B 3 2.303 -2.509 15.606 1.00 0.00 H new ATOM 0 H42 DC B 3 1.360 -1.024 15.767 1.00 0.00 H new ATOM 0 H5 DC B 3 1.330 -4.713 15.908 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.668 -5.928 16.593 1.00 0.00 H new ATOM 345 P DT B 4 -6.356 -7.262 15.466 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.705 -7.694 15.894 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.652 -7.996 14.391 1.00 0.00 O ATOM 348 O5' DT B 4 -6.433 -5.707 15.052 1.00 0.00 O ATOM 349 C5' DT B 4 -6.866 -4.722 15.972 1.00 0.00 C ATOM 350 C4' DT B 4 -6.909 -3.341 15.316 1.00 0.00 C ATOM 351 O4' DT B 4 -5.591 -2.854 15.143 1.00 0.00 O ATOM 352 C3' DT B 4 -7.618 -3.345 13.959 1.00 0.00 C ATOM 353 O3' DT B 4 -8.706 -2.436 13.983 1.00 0.00 O ATOM 354 C2' DT B 4 -6.498 -2.954 12.993 1.00 0.00 C ATOM 355 C1' DT B 4 -5.484 -2.231 13.880 1.00 0.00 C ATOM 356 N1 DT B 4 -4.065 -2.338 13.429 1.00 0.00 N ATOM 357 C2 DT B 4 -3.281 -1.183 13.431 1.00 0.00 C ATOM 358 O2 DT B 4 -3.742 -0.052 13.566 1.00 0.00 O ATOM 359 N3 DT B 4 -1.916 -1.365 13.268 1.00 0.00 N ATOM 360 C4 DT B 4 -1.261 -2.575 13.106 1.00 0.00 C ATOM 361 O4 DT B 4 -0.040 -2.595 12.963 1.00 0.00 O ATOM 362 C5 DT B 4 -2.136 -3.734 13.125 1.00 0.00 C ATOM 363 C7 DT B 4 -1.539 -5.133 13.049 1.00 0.00 C ATOM 364 C6 DT B 4 -3.478 -3.575 13.272 1.00 0.00 C ATOM 0 H5' DT B 4 -6.194 -4.700 16.830 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.856 -4.981 16.348 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.480 -2.695 15.983 1.00 0.00 H new ATOM 0 H3' DT B 4 -8.070 -4.295 13.672 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.058 -3.830 12.515 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.865 -2.307 12.196 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.713 -1.165 13.867 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.337 -0.525 13.267 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.183 -5.833 13.582 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.458 -5.438 12.006 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.549 -5.131 13.505 1.00 0.00 H new ATOM 0 H6 DT B 4 -4.109 -4.452 13.266 1.00 0.00 H new ATOM 377 P DA B 5 -9.586 -2.098 12.670 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.905 -1.591 13.109 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.508 -3.239 11.731 1.00 0.00 O ATOM 380 O5' DA B 5 -8.741 -0.868 12.057 1.00 0.00 O ATOM 381 C5' DA B 5 -8.603 0.326 12.794 1.00 0.00 C ATOM 382 C4' DA B 5 -7.815 1.407 12.075 1.00 0.00 C ATOM 383 O4' DA B 5 -6.438 1.097 12.017 1.00 0.00 O ATOM 384 C3' DA B 5 -8.329 1.629 10.650 1.00 0.00 C ATOM 385 O3' DA B 5 -8.688 2.991 10.575 1.00 0.00 O ATOM 386 C2' DA B 5 -7.168 1.109 9.818 1.00 0.00 C ATOM 387 C1' DA B 5 -5.978 1.397 10.718 1.00 0.00 C ATOM 388 N9 DA B 5 -4.812 0.538 10.446 1.00 0.00 N ATOM 389 C8 DA B 5 -4.769 -0.823 10.329 1.00 0.00 C ATOM 390 N7 DA B 5 -3.564 -1.321 10.244 1.00 0.00 N ATOM 391 C5 DA B 5 -2.745 -0.197 10.301 1.00 0.00 C ATOM 392 C6 DA B 5 -1.346 -0.008 10.259 1.00 0.00 C ATOM 393 N6 DA B 5 -0.473 -1.020 10.196 1.00 0.00 N ATOM 394 N1 DA B 5 -0.873 1.254 10.279 1.00 0.00 N ATOM 395 C2 DA B 5 -1.733 2.267 10.377 1.00 0.00 C ATOM 396 N3 DA B 5 -3.054 2.219 10.479 1.00 0.00 N ATOM 397 C4 DA B 5 -3.503 0.941 10.425 1.00 0.00 C ATOM 0 H5' DA B 5 -8.112 0.102 13.741 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.595 0.711 13.032 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.955 2.320 12.654 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.227 1.120 10.299 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.267 0.046 9.600 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.089 1.624 8.861 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.646 2.424 10.568 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.658 -1.436 10.308 1.00 0.00 H new ATOM 0 H61 DA B 5 0.528 -0.829 10.168 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.809 -1.983 10.176 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.298 3.255 10.373 1.00 0.00 H new ATOM 409 P DG B 6 -9.266 3.666 9.247 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.141 4.800 9.620 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.747 2.618 8.319 1.00 0.00 O ATOM 412 O5' DG B 6 -7.876 4.234 8.718 1.00 0.00 O ATOM 413 C5' DG B 6 -7.191 5.258 9.412 1.00 0.00 C ATOM 414 C4' DG B 6 -5.860 5.489 8.708 1.00 0.00 C ATOM 415 O4' DG B 6 -4.977 4.388 8.944 1.00 0.00 O ATOM 416 C3' DG B 6 -6.096 5.599 7.192 1.00 0.00 C ATOM 417 O3' DG B 6 -5.571 6.793 6.653 1.00 0.00 O ATOM 418 C2' DG B 6 -5.410 4.330 6.731 1.00 0.00 C ATOM 419 C1' DG B 6 -4.294 4.156 7.732 1.00 0.00 C ATOM 420 N9 DG B 6 -3.662 2.828 7.549 1.00 0.00 N ATOM 421 C8 DG B 6 -4.244 1.589 7.416 1.00 0.00 C ATOM 422 N7 DG B 6 -3.402 0.616 7.227 1.00 0.00 N ATOM 423 C5 DG B 6 -2.169 1.251 7.205 1.00 0.00 C ATOM 424 C6 DG B 6 -0.867 0.701 7.045 1.00 0.00 C ATOM 425 O6 DG B 6 -0.564 -0.483 6.947 1.00 0.00 O ATOM 426 N1 DG B 6 0.121 1.681 7.004 1.00 0.00 N ATOM 427 C2 DG B 6 -0.113 3.037 7.125 1.00 0.00 C ATOM 428 N2 DG B 6 0.943 3.851 7.033 1.00 0.00 N ATOM 429 N3 DG B 6 -1.338 3.553 7.312 1.00 0.00 N ATOM 430 C4 DG B 6 -2.320 2.610 7.345 1.00 0.00 C ATOM 0 H5' DG B 6 -7.029 4.972 10.451 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.782 6.174 9.422 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.417 6.407 9.095 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.136 5.666 6.874 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.092 3.479 6.736 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.028 4.426 5.715 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.434 4.821 7.654 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.312 1.437 7.465 1.00 0.00 H new ATOM 0 H1 DG B 6 1.086 1.376 6.876 1.00 0.00 H new ATOM 0 H21 DG B 6 0.818 4.860 7.116 1.00 0.00 H new ATOM 0 H22 DG B 6 1.874 3.463 6.880 1.00 0.00 H new ATOM 442 P DC B 7 -5.637 7.117 5.068 1.00 0.00 P ATOM 443 OP1 DC B 7 -5.877 8.567 4.895 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.517 6.137 4.392 1.00 0.00 O ATOM 445 O5' DC B 7 -4.111 6.797 4.668 1.00 0.00 O ATOM 446 C5' DC B 7 -3.079 7.458 5.363 1.00 0.00 C ATOM 447 C4' DC B 7 -1.691 7.268 4.766 1.00 0.00 C ATOM 448 O4' DC B 7 -1.219 5.963 5.033 1.00 0.00 O ATOM 449 C3' DC B 7 -1.640 7.563 3.271 1.00 0.00 C ATOM 450 O3' DC B 7 -0.529 8.407 3.012 1.00 0.00 O ATOM 451 C2' DC B 7 -1.512 6.155 2.736 1.00 0.00 C ATOM 452 C1' DC B 7 -0.777 5.388 3.829 1.00 0.00 C ATOM 453 N1 DC B 7 -1.175 3.956 3.830 1.00 0.00 N ATOM 454 C2 DC B 7 -0.216 2.945 3.719 1.00 0.00 C ATOM 455 O2 DC B 7 0.975 3.201 3.555 1.00 0.00 O ATOM 456 N3 DC B 7 -0.633 1.646 3.799 1.00 0.00 N ATOM 457 C4 DC B 7 -1.930 1.342 3.980 1.00 0.00 C ATOM 458 N4 DC B 7 -2.290 0.061 4.086 1.00 0.00 N ATOM 459 C5 DC B 7 -2.919 2.369 4.133 1.00 0.00 C ATOM 460 C6 DC B 7 -2.491 3.644 4.057 1.00 0.00 C ATOM 0 H5' DC B 7 -3.068 7.104 6.394 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.304 8.524 5.394 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.037 7.996 5.246 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.479 8.096 2.824 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.490 5.718 2.535 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.956 6.137 1.798 1.00 0.00 H new ATOM 0 H1' DC B 7 0.302 5.440 3.687 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.271 -0.183 4.224 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.584 -0.673 4.029 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.959 2.131 4.301 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.206 4.445 4.178 1.00 0.00 H new ATOM 472 P DG B 8 -0.195 8.988 1.544 1.00 0.00 P ATOM 473 OP1 DG B 8 0.754 10.114 1.695 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.463 9.188 0.808 1.00 0.00 O ATOM 475 O5' DG B 8 0.591 7.757 0.870 1.00 0.00 O ATOM 476 C5' DG B 8 1.813 7.289 1.405 1.00 0.00 C ATOM 477 C4' DG B 8 2.313 6.073 0.620 1.00 0.00 C ATOM 478 O4' DG B 8 1.620 4.918 1.062 1.00 0.00 O ATOM 479 C3' DG B 8 2.114 6.176 -0.904 1.00 0.00 C ATOM 480 O3' DG B 8 3.287 5.795 -1.596 1.00 0.00 O ATOM 481 C2' DG B 8 1.010 5.154 -1.152 1.00 0.00 C ATOM 482 C1' DG B 8 1.350 4.134 -0.076 1.00 0.00 C ATOM 483 N9 DG B 8 0.285 3.142 0.185 1.00 0.00 N ATOM 484 C8 DG B 8 -1.077 3.309 0.252 1.00 0.00 C ATOM 485 N7 DG B 8 -1.729 2.217 0.543 1.00 0.00 N ATOM 486 C5 DG B 8 -0.733 1.253 0.682 1.00 0.00 C ATOM 487 C6 DG B 8 -0.820 -0.136 1.010 1.00 0.00 C ATOM 488 O6 DG B 8 -1.828 -0.802 1.234 1.00 0.00 O ATOM 489 N1 DG B 8 0.430 -0.751 1.067 1.00 0.00 N ATOM 490 C2 DG B 8 1.627 -0.106 0.824 1.00 0.00 C ATOM 491 N2 DG B 8 2.745 -0.834 0.898 1.00 0.00 N ATOM 492 N3 DG B 8 1.712 1.198 0.525 1.00 0.00 N ATOM 493 C4 DG B 8 0.502 1.817 0.471 1.00 0.00 C ATOM 0 H5' DG B 8 1.679 7.022 2.453 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.559 8.083 1.371 1.00 0.00 H new ATOM 0 H4' DG B 8 3.386 6.021 0.807 1.00 0.00 H new ATOM 0 H3' DG B 8 1.879 7.185 -1.242 1.00 0.00 H new ATOM 0 H2' DG B 8 0.014 5.577 -1.025 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.051 4.731 -2.156 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.135 5.867 -2.561 1.00 0.00 H new ATOM 0 H1' DG B 8 2.190 3.512 -0.386 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.564 4.258 0.080 1.00 0.00 H new ATOM 0 H1 DG B 8 0.463 -1.743 1.304 1.00 0.00 H new ATOM 0 H21 DG B 8 3.650 -0.397 0.726 1.00 0.00 H new ATOM 0 H22 DG B 8 2.693 -1.827 1.127 1.00 0.00 H new TER 506 DG B 8