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 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.263 (180deg=-0.263) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.243 (180deg=-0.243) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.598 12.841 24.437 1.00 0.00 O ATOM 2 C5' DG A 1 5.354 11.464 24.626 1.00 0.00 C ATOM 3 C4' DG A 1 4.015 11.074 23.986 1.00 0.00 C ATOM 4 O4' DG A 1 4.086 11.267 22.578 1.00 0.00 O ATOM 5 C3' DG A 1 3.667 9.602 24.243 1.00 0.00 C ATOM 6 O3' DG A 1 2.261 9.442 24.336 1.00 0.00 O ATOM 7 C2' DG A 1 4.247 8.992 22.978 1.00 0.00 C ATOM 8 C1' DG A 1 3.833 10.030 21.944 1.00 0.00 C ATOM 9 N9 DG A 1 4.590 9.893 20.672 1.00 0.00 N ATOM 10 C8 DG A 1 5.953 9.890 20.464 1.00 0.00 C ATOM 11 N7 DG A 1 6.301 9.781 19.214 1.00 0.00 N ATOM 12 C5 DG A 1 5.093 9.718 18.532 1.00 0.00 C ATOM 13 C6 DG A 1 4.838 9.628 17.130 1.00 0.00 C ATOM 14 O6 DG A 1 5.659 9.580 16.216 1.00 0.00 O ATOM 15 N1 DG A 1 3.477 9.598 16.838 1.00 0.00 N ATOM 16 C2 DG A 1 2.473 9.664 17.788 1.00 0.00 C ATOM 17 N2 DG A 1 1.210 9.616 17.353 1.00 0.00 N ATOM 18 N3 DG A 1 2.713 9.769 19.105 1.00 0.00 N ATOM 19 C4 DG A 1 4.040 9.790 19.413 1.00 0.00 C ATOM 0 H5' DG A 1 5.338 11.232 25.691 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.161 10.880 24.184 1.00 0.00 H new ATOM 0 H4' DG A 1 3.246 11.704 24.434 1.00 0.00 H new ATOM 0 H3' DG A 1 4.045 9.162 25.166 1.00 0.00 H new ATOM 0 H2' DG A 1 5.329 8.874 23.035 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.830 8.008 22.765 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.454 13.081 24.850 1.00 0.00 H new ATOM 0 H1' DG A 1 2.790 9.920 21.648 1.00 0.00 H new ATOM 0 H8 DG A 1 6.670 9.971 21.268 1.00 0.00 H new ATOM 0 H1 DG A 1 3.202 9.522 15.859 1.00 0.00 H new ATOM 0 H21 DG A 1 0.439 9.662 18.019 1.00 0.00 H new ATOM 0 H22 DG A 1 1.017 9.534 16.355 1.00 0.00 H new ATOM 32 P DC A 2 1.566 8.002 24.578 1.00 0.00 P ATOM 33 OP1 DC A 2 0.535 8.162 25.627 1.00 0.00 O ATOM 34 OP2 DC A 2 2.624 6.980 24.742 1.00 0.00 O ATOM 35 O5' DC A 2 0.822 7.732 23.168 1.00 0.00 O ATOM 36 C5' DC A 2 -0.306 8.497 22.790 1.00 0.00 C ATOM 37 C4' DC A 2 -1.072 7.962 21.583 1.00 0.00 C ATOM 38 O4' DC A 2 -0.317 8.083 20.389 1.00 0.00 O ATOM 39 C3' DC A 2 -1.426 6.490 21.807 1.00 0.00 C ATOM 40 O3' DC A 2 -2.742 6.250 21.336 1.00 0.00 O ATOM 41 C2' DC A 2 -0.328 5.830 21.009 1.00 0.00 C ATOM 42 C1' DC A 2 -0.140 6.793 19.841 1.00 0.00 C ATOM 43 N1 DC A 2 1.226 6.678 19.286 1.00 0.00 N ATOM 44 C2 DC A 2 1.432 6.480 17.919 1.00 0.00 C ATOM 45 O2 DC A 2 0.496 6.458 17.124 1.00 0.00 O ATOM 46 N3 DC A 2 2.714 6.313 17.478 1.00 0.00 N ATOM 47 C4 DC A 2 3.750 6.309 18.333 1.00 0.00 C ATOM 48 N4 DC A 2 4.989 6.185 17.851 1.00 0.00 N ATOM 49 C5 DC A 2 3.544 6.532 19.735 1.00 0.00 C ATOM 50 C6 DC A 2 2.286 6.739 20.146 1.00 0.00 C ATOM 0 H5' DC A 2 0.020 9.514 22.573 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.988 8.555 23.638 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.979 8.556 21.476 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.457 6.128 22.834 1.00 0.00 H new ATOM 0 H2' DC A 2 0.586 5.718 21.593 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.615 4.834 20.671 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.841 6.581 19.033 1.00 0.00 H new ATOM 0 H41 DC A 2 5.786 6.180 18.488 1.00 0.00 H new ATOM 0 H42 DC A 2 5.139 6.095 16.846 1.00 0.00 H new ATOM 0 H5 DC A 2 4.370 6.533 20.431 1.00 0.00 H new ATOM 0 H6 DC A 2 2.104 6.961 21.187 1.00 0.00 H new ATOM 62 P DG A 3 -3.360 4.768 21.156 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.823 4.851 21.367 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.557 3.807 21.944 1.00 0.00 O ATOM 65 O5' DG A 3 -3.087 4.508 19.585 1.00 0.00 O ATOM 66 C5' DG A 3 -3.753 5.292 18.612 1.00 0.00 C ATOM 67 C4' DG A 3 -3.548 4.799 17.190 1.00 0.00 C ATOM 68 O4' DG A 3 -2.185 4.849 16.805 1.00 0.00 O ATOM 69 C3' DG A 3 -4.076 3.368 17.097 1.00 0.00 C ATOM 70 O3' DG A 3 -5.100 3.277 16.121 1.00 0.00 O ATOM 71 C2' DG A 3 -2.799 2.614 16.778 1.00 0.00 C ATOM 72 C1' DG A 3 -1.846 3.635 16.172 1.00 0.00 C ATOM 73 N9 DG A 3 -0.427 3.339 16.467 1.00 0.00 N ATOM 74 C8 DG A 3 0.169 3.196 17.693 1.00 0.00 C ATOM 75 N7 DG A 3 1.470 3.235 17.669 1.00 0.00 N ATOM 76 C5 DG A 3 1.764 3.383 16.320 1.00 0.00 C ATOM 77 C6 DG A 3 3.022 3.542 15.671 1.00 0.00 C ATOM 78 O6 DG A 3 4.123 3.704 16.192 1.00 0.00 O ATOM 79 N1 DG A 3 2.907 3.498 14.284 1.00 0.00 N ATOM 80 C2 DG A 3 1.708 3.417 13.599 1.00 0.00 C ATOM 81 N2 DG A 3 1.759 3.396 12.264 1.00 0.00 N ATOM 82 N3 DG A 3 0.516 3.391 14.213 1.00 0.00 N ATOM 83 C4 DG A 3 0.613 3.365 15.569 1.00 0.00 C ATOM 0 H5' DG A 3 -3.402 6.322 18.685 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.820 5.302 18.834 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.092 5.451 16.507 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.568 2.971 17.985 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.374 2.170 17.678 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.992 1.799 16.081 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.942 3.645 15.086 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.395 3.062 18.604 1.00 0.00 H new ATOM 0 H1 DG A 3 3.766 3.528 13.735 1.00 0.00 H new ATOM 0 H21 DG A 3 0.897 3.337 11.722 1.00 0.00 H new ATOM 0 H22 DG A 3 2.660 3.439 11.787 1.00 0.00 H new ATOM 95 P DT A 4 -5.827 1.878 15.752 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.072 2.181 15.013 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.871 1.024 16.961 1.00 0.00 O ATOM 98 O5' DT A 4 -4.763 1.249 14.719 1.00 0.00 O ATOM 99 C5' DT A 4 -4.400 1.972 13.565 1.00 0.00 C ATOM 100 C4' DT A 4 -3.203 1.394 12.819 1.00 0.00 C ATOM 101 O4' DT A 4 -2.037 1.538 13.601 1.00 0.00 O ATOM 102 C3' DT A 4 -3.354 -0.088 12.445 1.00 0.00 C ATOM 103 O3' DT A 4 -3.388 -0.210 11.035 1.00 0.00 O ATOM 104 C2' DT A 4 -2.121 -0.703 13.104 1.00 0.00 C ATOM 105 C1' DT A 4 -1.177 0.487 13.241 1.00 0.00 C ATOM 106 N1 DT A 4 -0.169 0.239 14.295 1.00 0.00 N ATOM 107 C2 DT A 4 1.188 0.205 13.973 1.00 0.00 C ATOM 108 O2 DT A 4 1.614 0.234 12.821 1.00 0.00 O ATOM 109 N3 DT A 4 2.064 0.136 15.048 1.00 0.00 N ATOM 110 C4 DT A 4 1.704 0.050 16.388 1.00 0.00 C ATOM 111 O4 DT A 4 2.571 0.020 17.258 1.00 0.00 O ATOM 112 C5 DT A 4 0.271 0.003 16.619 1.00 0.00 C ATOM 113 C7 DT A 4 -0.279 -0.149 18.018 1.00 0.00 C ATOM 114 C6 DT A 4 -0.596 0.103 15.587 1.00 0.00 C ATOM 0 H5' DT A 4 -4.175 3.000 13.849 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.254 2.008 12.888 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.136 1.957 11.888 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.267 -0.581 12.778 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.358 -1.144 14.072 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.688 -1.494 12.491 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.609 0.693 12.334 1.00 0.00 H new ATOM 0 H3 DT A 4 3.062 0.150 14.835 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.248 0.345 18.083 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.395 -1.208 18.250 1.00 0.00 H new ATOM 0 H73 DT A 4 0.409 0.306 18.731 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.657 0.075 15.789 1.00 0.00 H new ATOM 127 P DA A 5 -3.501 -1.638 10.292 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.155 -1.429 8.982 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.053 -2.629 11.243 1.00 0.00 O ATOM 130 O5' DA A 5 -1.952 -1.990 10.036 1.00 0.00 O ATOM 131 C5' DA A 5 -1.162 -1.208 9.161 1.00 0.00 C ATOM 132 C4' DA A 5 0.246 -1.794 9.058 1.00 0.00 C ATOM 133 O4' DA A 5 0.923 -1.690 10.299 1.00 0.00 O ATOM 134 C3' DA A 5 0.232 -3.274 8.644 1.00 0.00 C ATOM 135 O3' DA A 5 0.992 -3.402 7.455 1.00 0.00 O ATOM 136 C2' DA A 5 0.825 -3.956 9.881 1.00 0.00 C ATOM 137 C1' DA A 5 1.709 -2.851 10.469 1.00 0.00 C ATOM 138 N9 DA A 5 1.989 -3.049 11.908 1.00 0.00 N ATOM 139 C8 DA A 5 1.061 -3.263 12.883 1.00 0.00 C ATOM 140 N7 DA A 5 1.503 -3.145 14.102 1.00 0.00 N ATOM 141 C5 DA A 5 2.854 -2.882 13.920 1.00 0.00 C ATOM 142 C6 DA A 5 3.908 -2.650 14.827 1.00 0.00 C ATOM 143 N6 DA A 5 3.710 -2.549 16.145 1.00 0.00 N ATOM 144 N1 DA A 5 5.154 -2.499 14.340 1.00 0.00 N ATOM 145 C2 DA A 5 5.337 -2.547 13.022 1.00 0.00 C ATOM 146 N3 DA A 5 4.425 -2.701 12.063 1.00 0.00 N ATOM 147 C4 DA A 5 3.178 -2.870 12.584 1.00 0.00 C ATOM 0 H5' DA A 5 -1.111 -0.181 9.524 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.623 -1.175 8.174 1.00 0.00 H new ATOM 0 H4' DA A 5 0.762 -1.217 8.290 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.733 -3.716 8.398 1.00 0.00 H new ATOM 0 H2' DA A 5 0.052 -4.274 10.580 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.402 -4.843 9.619 1.00 0.00 H new ATOM 0 H1' DA A 5 2.685 -2.817 9.985 1.00 0.00 H new ATOM 0 H8 DA A 5 0.034 -3.512 12.661 1.00 0.00 H new ATOM 0 H61 DA A 5 4.500 -2.381 16.768 1.00 0.00 H new ATOM 0 H62 DA A 5 2.769 -2.640 16.528 1.00 0.00 H new ATOM 0 H2 DA A 5 6.359 -2.448 12.686 1.00 0.00 H new ATOM 159 P DC A 6 1.274 -4.819 6.742 1.00 0.00 P ATOM 160 OP1 DC A 6 1.620 -4.567 5.325 1.00 0.00 O ATOM 161 OP2 DC A 6 0.181 -5.756 7.083 1.00 0.00 O ATOM 162 O5' DC A 6 2.605 -5.280 7.514 1.00 0.00 O ATOM 163 C5' DC A 6 3.775 -4.486 7.480 1.00 0.00 C ATOM 164 C4' DC A 6 4.816 -5.055 8.440 1.00 0.00 C ATOM 165 O4' DC A 6 4.331 -4.903 9.754 1.00 0.00 O ATOM 166 C3' DC A 6 5.172 -6.532 8.260 1.00 0.00 C ATOM 167 O3' DC A 6 6.379 -6.703 7.535 1.00 0.00 O ATOM 168 C2' DC A 6 5.238 -7.044 9.697 1.00 0.00 C ATOM 169 C1' DC A 6 5.053 -5.803 10.552 1.00 0.00 C ATOM 170 N1 DC A 6 4.333 -6.084 11.820 1.00 0.00 N ATOM 171 C2 DC A 6 5.004 -5.911 13.027 1.00 0.00 C ATOM 172 O2 DC A 6 6.219 -5.738 13.069 1.00 0.00 O ATOM 173 N3 DC A 6 4.281 -5.936 14.179 1.00 0.00 N ATOM 174 C4 DC A 6 2.959 -6.157 14.171 1.00 0.00 C ATOM 175 N4 DC A 6 2.303 -6.105 15.335 1.00 0.00 N ATOM 176 C5 DC A 6 2.254 -6.395 12.942 1.00 0.00 C ATOM 177 C6 DC A 6 2.986 -6.355 11.804 1.00 0.00 C ATOM 0 H5' DC A 6 3.536 -3.459 7.756 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.178 -4.459 6.467 1.00 0.00 H new ATOM 0 H4' DC A 6 5.728 -4.498 8.226 1.00 0.00 H new ATOM 0 H3' DC A 6 4.450 -7.088 7.662 1.00 0.00 H new ATOM 0 H2' DC A 6 4.458 -7.780 9.892 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.193 -7.529 9.902 1.00 0.00 H new ATOM 0 H1' DC A 6 6.019 -5.401 10.858 1.00 0.00 H new ATOM 0 H41 DC A 6 1.297 -6.269 15.361 1.00 0.00 H new ATOM 0 H42 DC A 6 2.809 -5.902 16.197 1.00 0.00 H new ATOM 0 H5 DC A 6 1.193 -6.596 12.927 1.00 0.00 H new ATOM 0 H6 DC A 6 2.498 -6.541 10.858 1.00 0.00 H new ATOM 189 P DG A 7 7.011 -8.165 7.241 1.00 0.00 P ATOM 190 OP1 DG A 7 7.969 -8.036 6.121 1.00 0.00 O ATOM 191 OP2 DG A 7 5.908 -9.149 7.156 1.00 0.00 O ATOM 192 O5' DG A 7 7.850 -8.464 8.589 1.00 0.00 O ATOM 193 C5' DG A 7 8.945 -7.647 8.952 1.00 0.00 C ATOM 194 C4' DG A 7 9.573 -8.041 10.290 1.00 0.00 C ATOM 195 O4' DG A 7 8.679 -7.779 11.361 1.00 0.00 O ATOM 196 C3' DG A 7 9.952 -9.528 10.322 1.00 0.00 C ATOM 197 O3' DG A 7 11.284 -9.681 10.782 1.00 0.00 O ATOM 198 C2' DG A 7 8.900 -10.069 11.279 1.00 0.00 C ATOM 199 C1' DG A 7 8.703 -8.895 12.226 1.00 0.00 C ATOM 200 N9 DG A 7 7.432 -9.002 12.975 1.00 0.00 N ATOM 201 C8 DG A 7 6.198 -9.342 12.490 1.00 0.00 C ATOM 202 N7 DG A 7 5.228 -9.220 13.352 1.00 0.00 N ATOM 203 C5 DG A 7 5.873 -8.812 14.514 1.00 0.00 C ATOM 204 C6 DG A 7 5.341 -8.553 15.813 1.00 0.00 C ATOM 205 O6 DG A 7 4.163 -8.537 16.155 1.00 0.00 O ATOM 206 N1 DG A 7 6.334 -8.297 16.754 1.00 0.00 N ATOM 207 C2 DG A 7 7.687 -8.267 16.472 1.00 0.00 C ATOM 208 N2 DG A 7 8.520 -8.042 17.493 1.00 0.00 N ATOM 209 N3 DG A 7 8.185 -8.454 15.239 1.00 0.00 N ATOM 210 C4 DG A 7 7.230 -8.728 14.308 1.00 0.00 C ATOM 0 H5' DG A 7 8.614 -6.610 9.005 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.704 -7.700 8.172 1.00 0.00 H new ATOM 0 H4' DG A 7 10.476 -7.441 10.403 1.00 0.00 H new ATOM 0 H3' DG A 7 9.951 -10.047 9.364 1.00 0.00 H new ATOM 0 H2' DG A 7 7.978 -10.337 10.763 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.244 -10.962 11.801 1.00 0.00 H new ATOM 0 H1' DG A 7 9.482 -8.839 12.986 1.00 0.00 H new ATOM 0 H8 DG A 7 6.041 -9.683 11.477 1.00 0.00 H new ATOM 0 H1 DG A 7 6.044 -8.120 17.716 1.00 0.00 H new ATOM 0 H21 DG A 7 9.527 -8.011 17.332 1.00 0.00 H new ATOM 0 H22 DG A 7 8.149 -7.901 18.433 1.00 0.00 H new ATOM 222 P DC A 8 11.970 -11.132 10.965 1.00 0.00 P ATOM 223 OP1 DC A 8 13.438 -10.967 10.873 1.00 0.00 O ATOM 224 OP2 DC A 8 11.280 -12.101 10.086 1.00 0.00 O ATOM 225 O5' DC A 8 11.591 -11.472 12.492 1.00 0.00 O ATOM 226 C5' DC A 8 12.223 -10.796 13.560 1.00 0.00 C ATOM 227 C4' DC A 8 11.583 -11.153 14.902 1.00 0.00 C ATOM 228 O4' DC A 8 10.229 -10.768 14.910 1.00 0.00 O ATOM 229 C3' DC A 8 11.569 -12.647 15.226 1.00 0.00 C ATOM 230 O3' DC A 8 12.778 -13.082 15.813 1.00 0.00 O ATOM 231 C2' DC A 8 10.394 -12.755 16.197 1.00 0.00 C ATOM 232 C1' DC A 8 9.610 -11.455 15.977 1.00 0.00 C ATOM 233 N1 DC A 8 8.181 -11.721 15.666 1.00 0.00 N ATOM 234 C2 DC A 8 7.222 -11.545 16.665 1.00 0.00 C ATOM 235 O2 DC A 8 7.539 -11.251 17.815 1.00 0.00 O ATOM 236 N3 DC A 8 5.909 -11.705 16.339 1.00 0.00 N ATOM 237 C4 DC A 8 5.534 -12.039 15.095 1.00 0.00 C ATOM 238 N4 DC A 8 4.228 -12.128 14.826 1.00 0.00 N ATOM 239 C5 DC A 8 6.507 -12.266 14.061 1.00 0.00 C ATOM 240 C6 DC A 8 7.806 -12.093 14.396 1.00 0.00 C ATOM 0 H5' DC A 8 12.160 -9.720 13.400 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.282 -11.054 13.580 1.00 0.00 H new ATOM 0 H4' DC A 8 12.197 -10.630 15.636 1.00 0.00 H new ATOM 0 H3' DC A 8 11.468 -13.277 14.343 1.00 0.00 H new ATOM 0 H2' DC A 8 9.781 -13.631 15.986 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.735 -12.846 17.228 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.722 -14.042 16.004 1.00 0.00 H new ATOM 0 H1' DC A 8 9.623 -10.856 16.888 1.00 0.00 H new ATOM 0 H41 DC A 8 3.917 -12.380 13.888 1.00 0.00 H new ATOM 0 H42 DC A 8 3.543 -11.944 15.559 1.00 0.00 H new ATOM 0 H5 DC A 8 6.214 -12.561 13.064 1.00 0.00 H new ATOM 0 H6 DC A 8 8.568 -12.251 13.647 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.730 -11.085 24.194 1.00 0.00 O ATOM 255 C5' DG B 1 -0.887 -11.696 25.148 1.00 0.00 C ATOM 256 C4' DG B 1 0.572 -11.264 24.961 1.00 0.00 C ATOM 257 O4' DG B 1 1.044 -11.673 23.684 1.00 0.00 O ATOM 258 C3' DG B 1 0.788 -9.750 25.102 1.00 0.00 C ATOM 259 O3' DG B 1 1.963 -9.495 25.853 1.00 0.00 O ATOM 260 C2' DG B 1 0.940 -9.376 23.637 1.00 0.00 C ATOM 261 C1' DG B 1 1.707 -10.574 23.098 1.00 0.00 C ATOM 262 N9 DG B 1 1.676 -10.635 21.614 1.00 0.00 N ATOM 263 C8 DG B 1 0.590 -10.708 20.769 1.00 0.00 C ATOM 264 N7 DG B 1 0.901 -10.783 19.506 1.00 0.00 N ATOM 265 C5 DG B 1 2.290 -10.769 19.500 1.00 0.00 C ATOM 266 C6 DG B 1 3.201 -10.863 18.405 1.00 0.00 C ATOM 267 O6 DG B 1 2.934 -10.974 17.210 1.00 0.00 O ATOM 268 N1 DG B 1 4.532 -10.820 18.814 1.00 0.00 N ATOM 269 C2 DG B 1 4.939 -10.714 20.132 1.00 0.00 C ATOM 270 N2 DG B 1 6.254 -10.675 20.367 1.00 0.00 N ATOM 271 N3 DG B 1 4.082 -10.647 21.164 1.00 0.00 N ATOM 272 C4 DG B 1 2.775 -10.680 20.785 1.00 0.00 C ATOM 0 H5' DG B 1 -0.961 -12.780 25.061 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.220 -11.433 26.152 1.00 0.00 H new ATOM 0 H4' DG B 1 1.131 -11.750 25.760 1.00 0.00 H new ATOM 0 H3' DG B 1 0.007 -9.196 25.623 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.024 -9.250 23.143 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.490 -8.444 23.506 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.653 -11.380 24.337 1.00 0.00 H new ATOM 0 H1' DG B 1 2.769 -10.539 23.343 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.430 -10.703 21.123 1.00 0.00 H new ATOM 0 H1 DG B 1 5.254 -10.870 18.095 1.00 0.00 H new ATOM 0 H21 DG B 1 6.599 -10.597 21.324 1.00 0.00 H new ATOM 0 H22 DG B 1 6.913 -10.723 19.590 1.00 0.00 H new ATOM 285 P DC B 2 2.494 -7.999 26.160 1.00 0.00 P ATOM 286 OP1 DC B 2 2.879 -7.933 27.587 1.00 0.00 O ATOM 287 OP2 DC B 2 1.521 -7.023 25.619 1.00 0.00 O ATOM 288 O5' DC B 2 3.838 -7.916 25.264 1.00 0.00 O ATOM 289 C5' DC B 2 4.980 -8.677 25.607 1.00 0.00 C ATOM 290 C4' DC B 2 6.255 -8.299 24.857 1.00 0.00 C ATOM 291 O4' DC B 2 6.174 -8.637 23.482 1.00 0.00 O ATOM 292 C3' DC B 2 6.507 -6.797 24.992 1.00 0.00 C ATOM 293 O3' DC B 2 7.892 -6.571 25.190 1.00 0.00 O ATOM 294 C2' DC B 2 5.961 -6.317 23.668 1.00 0.00 C ATOM 295 C1' DC B 2 6.333 -7.456 22.723 1.00 0.00 C ATOM 296 N1 DC B 2 5.415 -7.489 21.563 1.00 0.00 N ATOM 297 C2 DC B 2 5.908 -7.502 20.257 1.00 0.00 C ATOM 298 O2 DC B 2 7.113 -7.557 20.024 1.00 0.00 O ATOM 299 N3 DC B 2 5.010 -7.455 19.229 1.00 0.00 N ATOM 300 C4 DC B 2 3.690 -7.371 19.461 1.00 0.00 C ATOM 301 N4 DC B 2 2.847 -7.369 18.424 1.00 0.00 N ATOM 302 C5 DC B 2 3.178 -7.379 20.801 1.00 0.00 C ATOM 303 C6 DC B 2 4.069 -7.470 21.797 1.00 0.00 C ATOM 0 H5' DC B 2 4.766 -9.730 25.422 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.161 -8.572 26.677 1.00 0.00 H new ATOM 0 H4' DC B 2 7.078 -8.861 25.298 1.00 0.00 H new ATOM 0 H3' DC B 2 6.046 -6.281 25.835 1.00 0.00 H new ATOM 0 H2' DC B 2 4.883 -6.158 23.707 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.411 -5.373 23.362 1.00 0.00 H new ATOM 0 H1' DC B 2 7.346 -7.340 22.337 1.00 0.00 H new ATOM 0 H41 DC B 2 1.842 -7.306 18.584 1.00 0.00 H new ATOM 0 H42 DC B 2 3.209 -7.431 17.472 1.00 0.00 H new ATOM 0 H5 DC B 2 2.118 -7.314 20.999 1.00 0.00 H new ATOM 0 H6 DC B 2 3.713 -7.530 22.815 1.00 0.00 H new ATOM 315 P DG B 3 8.573 -5.109 25.105 1.00 0.00 P ATOM 316 OP1 DG B 3 9.742 -5.091 26.012 1.00 0.00 O ATOM 317 OP2 DG B 3 7.522 -4.075 25.240 1.00 0.00 O ATOM 318 O5' DG B 3 9.110 -5.107 23.582 1.00 0.00 O ATOM 319 C5' DG B 3 10.135 -6.004 23.193 1.00 0.00 C ATOM 320 C4' DG B 3 10.671 -5.745 21.796 1.00 0.00 C ATOM 321 O4' DG B 3 9.670 -5.910 20.808 1.00 0.00 O ATOM 322 C3' DG B 3 11.234 -4.325 21.754 1.00 0.00 C ATOM 323 O3' DG B 3 12.606 -4.342 21.399 1.00 0.00 O ATOM 324 C2' DG B 3 10.304 -3.681 20.743 1.00 0.00 C ATOM 325 C1' DG B 3 9.729 -4.819 19.913 1.00 0.00 C ATOM 326 N9 DG B 3 8.358 -4.541 19.431 1.00 0.00 N ATOM 327 C8 DG B 3 7.247 -4.238 20.174 1.00 0.00 C ATOM 328 N7 DG B 3 6.121 -4.333 19.527 1.00 0.00 N ATOM 329 C5 DG B 3 6.515 -4.697 18.246 1.00 0.00 C ATOM 330 C6 DG B 3 5.728 -5.003 17.099 1.00 0.00 C ATOM 331 O6 DG B 3 4.507 -5.130 17.037 1.00 0.00 O ATOM 332 N1 DG B 3 6.505 -5.166 15.955 1.00 0.00 N ATOM 333 C2 DG B 3 7.888 -5.141 15.937 1.00 0.00 C ATOM 334 N2 DG B 3 8.495 -5.325 14.761 1.00 0.00 N ATOM 335 N3 DG B 3 8.631 -4.972 17.042 1.00 0.00 N ATOM 336 C4 DG B 3 7.887 -4.745 18.158 1.00 0.00 C ATOM 0 H5' DG B 3 9.753 -7.023 23.243 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.956 -5.936 23.907 1.00 0.00 H new ATOM 0 H4' DG B 3 11.453 -6.471 21.576 1.00 0.00 H new ATOM 0 H3' DG B 3 11.248 -3.777 22.696 1.00 0.00 H new ATOM 0 H2' DG B 3 9.511 -3.124 21.242 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.843 -2.973 20.113 1.00 0.00 H new ATOM 0 H1' DG B 3 10.342 -4.989 19.028 1.00 0.00 H new ATOM 0 H8 DG B 3 7.301 -3.944 21.212 1.00 0.00 H new ATOM 0 H1 DG B 3 6.021 -5.314 15.069 1.00 0.00 H new ATOM 0 H21 DG B 3 9.513 -5.314 14.705 1.00 0.00 H new ATOM 0 H22 DG B 3 7.940 -5.477 13.919 1.00 0.00 H new ATOM 348 P DT B 4 13.474 -2.986 21.223 1.00 0.00 P ATOM 349 OP1 DT B 4 14.909 -3.347 21.240 1.00 0.00 O ATOM 350 OP2 DT B 4 12.957 -1.958 22.154 1.00 0.00 O ATOM 351 O5' DT B 4 13.073 -2.566 19.721 1.00 0.00 O ATOM 352 C5' DT B 4 13.291 -3.470 18.662 1.00 0.00 C ATOM 353 C4' DT B 4 12.634 -3.062 17.348 1.00 0.00 C ATOM 354 O4' DT B 4 11.230 -3.133 17.474 1.00 0.00 O ATOM 355 C3' DT B 4 13.005 -1.649 16.875 1.00 0.00 C ATOM 356 O3' DT B 4 13.730 -1.741 15.662 1.00 0.00 O ATOM 357 C2' DT B 4 11.632 -0.993 16.744 1.00 0.00 C ATOM 358 C1' DT B 4 10.696 -2.186 16.584 1.00 0.00 C ATOM 359 N1 DT B 4 9.312 -1.823 16.959 1.00 0.00 N ATOM 360 C2 DT B 4 8.288 -1.893 16.016 1.00 0.00 C ATOM 361 O2 DT B 4 8.478 -2.114 14.822 1.00 0.00 O ATOM 362 N3 DT B 4 7.002 -1.697 16.502 1.00 0.00 N ATOM 363 C4 DT B 4 6.665 -1.392 17.815 1.00 0.00 C ATOM 364 O4 DT B 4 5.486 -1.265 18.134 1.00 0.00 O ATOM 365 C5 DT B 4 7.803 -1.253 18.706 1.00 0.00 C ATOM 366 C7 DT B 4 7.606 -0.866 20.153 1.00 0.00 C ATOM 367 C6 DT B 4 9.059 -1.474 18.258 1.00 0.00 C ATOM 0 H5' DT B 4 12.916 -4.451 18.954 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.364 -3.573 18.502 1.00 0.00 H new ATOM 0 H4' DT B 4 13.008 -3.762 16.601 1.00 0.00 H new ATOM 0 H3' DT B 4 13.656 -1.073 17.532 1.00 0.00 H new ATOM 0 H2' DT B 4 11.383 -0.399 17.624 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.584 -0.324 15.884 1.00 0.00 H new ATOM 0 H1' DT B 4 10.636 -2.552 15.559 1.00 0.00 H new ATOM 0 H3 DT B 4 6.236 -1.785 15.835 1.00 0.00 H new ATOM 0 H71 DT B 4 8.399 -1.305 20.758 1.00 0.00 H new ATOM 0 H72 DT B 4 7.637 0.220 20.247 1.00 0.00 H new ATOM 0 H73 DT B 4 6.640 -1.233 20.499 1.00 0.00 H new ATOM 0 H6 DT B 4 9.886 -1.372 18.945 1.00 0.00 H new ATOM 380 P DA B 5 14.244 -0.440 14.859 1.00 0.00 P ATOM 381 OP1 DA B 5 15.449 -0.817 14.088 1.00 0.00 O ATOM 382 OP2 DA B 5 14.293 0.708 15.792 1.00 0.00 O ATOM 383 O5' DA B 5 13.033 -0.202 13.825 1.00 0.00 O ATOM 384 C5' DA B 5 12.746 -1.145 12.810 1.00 0.00 C ATOM 385 C4' DA B 5 11.593 -0.645 11.939 1.00 0.00 C ATOM 386 O4' DA B 5 10.392 -0.584 12.689 1.00 0.00 O ATOM 387 C3' DA B 5 11.866 0.751 11.357 1.00 0.00 C ATOM 388 O3' DA B 5 11.788 0.659 9.946 1.00 0.00 O ATOM 389 C2' DA B 5 10.773 1.592 12.025 1.00 0.00 C ATOM 390 C1' DA B 5 9.671 0.556 12.271 1.00 0.00 C ATOM 391 N9 DA B 5 8.732 0.964 13.338 1.00 0.00 N ATOM 392 C8 DA B 5 9.074 1.365 14.596 1.00 0.00 C ATOM 393 N7 DA B 5 8.089 1.418 15.446 1.00 0.00 N ATOM 394 C5 DA B 5 6.989 1.073 14.671 1.00 0.00 C ATOM 395 C6 DA B 5 5.619 0.940 14.972 1.00 0.00 C ATOM 396 N6 DA B 5 5.144 1.050 16.216 1.00 0.00 N ATOM 397 N1 DA B 5 4.764 0.665 13.969 1.00 0.00 N ATOM 398 C2 DA B 5 5.249 0.502 12.739 1.00 0.00 C ATOM 399 N3 DA B 5 6.519 0.544 12.337 1.00 0.00 N ATOM 400 C4 DA B 5 7.358 0.842 13.367 1.00 0.00 C ATOM 0 H5' DA B 5 12.485 -2.104 13.257 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.631 -1.310 12.196 1.00 0.00 H new ATOM 0 H4' DA B 5 11.497 -1.356 11.119 1.00 0.00 H new ATOM 0 H3' DA B 5 12.846 1.191 11.545 1.00 0.00 H new ATOM 0 H2' DA B 5 11.119 2.046 12.953 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.433 2.403 11.381 1.00 0.00 H new ATOM 0 H1' DA B 5 9.055 0.406 11.384 1.00 0.00 H new ATOM 0 H8 DA B 5 10.088 1.620 14.867 1.00 0.00 H new ATOM 0 H61 DA B 5 4.144 0.947 16.391 1.00 0.00 H new ATOM 0 H62 DA B 5 5.781 1.237 16.990 1.00 0.00 H new ATOM 0 H2 DA B 5 4.518 0.311 11.967 1.00 0.00 H new ATOM 412 P DC B 6 11.947 1.934 8.973 1.00 0.00 P ATOM 413 OP1 DC B 6 12.325 1.449 7.628 1.00 0.00 O ATOM 414 OP2 DC B 6 12.772 2.958 9.652 1.00 0.00 O ATOM 415 O5' DC B 6 10.429 2.456 8.916 1.00 0.00 O ATOM 416 C5' DC B 6 9.392 1.619 8.441 1.00 0.00 C ATOM 417 C4' DC B 6 8.040 2.288 8.669 1.00 0.00 C ATOM 418 O4' DC B 6 7.816 2.362 10.059 1.00 0.00 O ATOM 419 C3' DC B 6 7.877 3.703 8.111 1.00 0.00 C ATOM 420 O3' DC B 6 7.182 3.709 6.875 1.00 0.00 O ATOM 421 C2' DC B 6 7.142 4.430 9.236 1.00 0.00 C ATOM 422 C1' DC B 6 6.835 3.346 10.252 1.00 0.00 C ATOM 423 N1 DC B 6 6.856 3.849 11.649 1.00 0.00 N ATOM 424 C2 DC B 6 5.675 3.838 12.386 1.00 0.00 C ATOM 425 O2 DC B 6 4.588 3.624 11.856 1.00 0.00 O ATOM 426 N3 DC B 6 5.745 4.070 13.725 1.00 0.00 N ATOM 427 C4 DC B 6 6.910 4.342 14.328 1.00 0.00 C ATOM 428 N4 DC B 6 6.913 4.497 15.655 1.00 0.00 N ATOM 429 C5 DC B 6 8.134 4.417 13.578 1.00 0.00 C ATOM 430 C6 DC B 6 8.049 4.170 12.250 1.00 0.00 C ATOM 0 H5' DC B 6 9.424 0.658 8.955 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.533 1.417 7.379 1.00 0.00 H new ATOM 0 H4' DC B 6 7.326 1.668 8.127 1.00 0.00 H new ATOM 0 H3' DC B 6 8.820 4.188 7.861 1.00 0.00 H new ATOM 0 H2' DC B 6 7.759 5.217 9.670 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.230 4.904 8.873 1.00 0.00 H new ATOM 0 H1' DC B 6 5.827 2.959 10.105 1.00 0.00 H new ATOM 0 H41 DC B 6 7.785 4.705 16.142 1.00 0.00 H new ATOM 0 H42 DC B 6 6.044 4.408 16.181 1.00 0.00 H new ATOM 0 H5 DC B 6 9.075 4.658 14.051 1.00 0.00 H new ATOM 0 H6 DC B 6 8.943 4.227 11.647 1.00 0.00 H new ATOM 442 P DG B 7 6.835 5.082 6.087 1.00 0.00 P ATOM 443 OP1 DG B 7 6.536 4.740 4.678 1.00 0.00 O ATOM 444 OP2 DG B 7 7.881 6.082 6.395 1.00 0.00 O ATOM 445 O5' DG B 7 5.461 5.556 6.792 1.00 0.00 O ATOM 446 C5' DG B 7 4.293 4.765 6.699 1.00 0.00 C ATOM 447 C4' DG B 7 3.112 5.338 7.484 1.00 0.00 C ATOM 448 O4' DG B 7 3.361 5.281 8.880 1.00 0.00 O ATOM 449 C3' DG B 7 2.830 6.797 7.097 1.00 0.00 C ATOM 450 O3' DG B 7 1.451 6.968 6.819 1.00 0.00 O ATOM 451 C2' DG B 7 3.306 7.520 8.348 1.00 0.00 C ATOM 452 C1' DG B 7 2.967 6.516 9.439 1.00 0.00 C ATOM 453 N9 DG B 7 3.715 6.788 10.686 1.00 0.00 N ATOM 454 C8 DG B 7 5.044 7.095 10.817 1.00 0.00 C ATOM 455 N7 DG B 7 5.465 7.148 12.049 1.00 0.00 N ATOM 456 C5 DG B 7 4.319 6.902 12.798 1.00 0.00 C ATOM 457 C6 DG B 7 4.141 6.870 14.213 1.00 0.00 C ATOM 458 O6 DG B 7 5.002 6.956 15.083 1.00 0.00 O ATOM 459 N1 DG B 7 2.805 6.723 14.578 1.00 0.00 N ATOM 460 C2 DG B 7 1.761 6.595 13.681 1.00 0.00 C ATOM 461 N2 DG B 7 0.528 6.498 14.188 1.00 0.00 N ATOM 462 N3 DG B 7 1.935 6.569 12.350 1.00 0.00 N ATOM 463 C4 DG B 7 3.232 6.732 11.973 1.00 0.00 C ATOM 0 H5' DG B 7 4.512 3.762 7.065 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.011 4.667 5.651 1.00 0.00 H new ATOM 0 H4' DG B 7 2.243 4.729 7.236 1.00 0.00 H new ATOM 0 H3' DG B 7 3.320 7.161 6.194 1.00 0.00 H new ATOM 0 H2' DG B 7 4.373 7.739 8.312 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.790 8.469 8.492 1.00 0.00 H new ATOM 0 H1' DG B 7 1.915 6.548 9.721 1.00 0.00 H new ATOM 0 H8 DG B 7 5.689 7.278 9.970 1.00 0.00 H new ATOM 0 H1 DG B 7 2.582 6.709 15.573 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.274 6.402 13.565 1.00 0.00 H new ATOM 0 H22 DG B 7 0.389 6.520 15.198 1.00 0.00 H new ATOM 475 P DC B 8 0.825 8.402 6.418 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.418 8.169 5.649 1.00 0.00 O ATOM 477 OP2 DC B 8 1.897 9.249 5.848 1.00 0.00 O ATOM 478 O5' DC B 8 0.427 8.991 7.863 1.00 0.00 O ATOM 479 C5' DC B 8 -0.673 8.466 8.577 1.00 0.00 C ATOM 480 C4' DC B 8 -0.752 9.051 9.988 1.00 0.00 C ATOM 481 O4' DC B 8 0.410 8.725 10.713 1.00 0.00 O ATOM 482 C3' DC B 8 -0.833 10.577 10.043 1.00 0.00 C ATOM 483 O3' DC B 8 -2.154 11.052 9.891 1.00 0.00 O ATOM 484 C2' DC B 8 -0.276 10.879 11.433 1.00 0.00 C ATOM 485 C1' DC B 8 0.459 9.592 11.826 1.00 0.00 C ATOM 486 N1 DC B 8 1.869 9.862 12.213 1.00 0.00 N ATOM 487 C2 DC B 8 2.212 9.882 13.566 1.00 0.00 C ATOM 488 O2 DC B 8 1.363 9.759 14.446 1.00 0.00 O ATOM 489 N3 DC B 8 3.523 10.040 13.901 1.00 0.00 N ATOM 490 C4 DC B 8 4.470 10.190 12.963 1.00 0.00 C ATOM 491 N4 DC B 8 5.744 10.287 13.355 1.00 0.00 N ATOM 492 C5 DC B 8 4.135 10.214 11.565 1.00 0.00 C ATOM 493 C6 DC B 8 2.830 10.045 11.247 1.00 0.00 C ATOM 0 H5' DC B 8 -0.587 7.381 8.635 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.596 8.684 8.039 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.667 8.625 10.400 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.287 11.066 9.236 1.00 0.00 H new ATOM 0 H2' DC B 8 0.399 11.735 11.415 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.072 11.116 12.139 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.157 12.031 9.934 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.022 9.142 12.694 1.00 0.00 H new ATOM 0 H41 DC B 8 6.484 10.402 12.662 1.00 0.00 H new ATOM 0 H42 DC B 8 5.977 10.246 14.347 1.00 0.00 H new ATOM 0 H5 DC B 8 4.888 10.360 10.805 1.00 0.00 H new ATOM 0 H6 DC B 8 2.536 10.054 10.208 1.00 0.00 H new TER 506 DC B 8