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= -0.275 (180deg=-0.275) 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= -0.268 (180deg=-0.268) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.140 11.614 25.999 1.00 0.00 O ATOM 2 C5' DG A 1 5.249 11.583 24.592 1.00 0.00 C ATOM 3 C4' DG A 1 3.927 11.141 23.951 1.00 0.00 C ATOM 4 O4' DG A 1 4.019 11.316 22.542 1.00 0.00 O ATOM 5 C3' DG A 1 3.585 9.670 24.224 1.00 0.00 C ATOM 6 O3' DG A 1 2.178 9.507 24.305 1.00 0.00 O ATOM 7 C2' DG A 1 4.176 9.048 22.969 1.00 0.00 C ATOM 8 C1' DG A 1 3.765 10.073 21.921 1.00 0.00 C ATOM 9 N9 DG A 1 4.527 9.920 20.654 1.00 0.00 N ATOM 10 C8 DG A 1 5.891 9.901 20.452 1.00 0.00 C ATOM 11 N7 DG A 1 6.243 9.780 19.204 1.00 0.00 N ATOM 12 C5 DG A 1 5.037 9.724 18.517 1.00 0.00 C ATOM 13 C6 DG A 1 4.788 9.625 17.115 1.00 0.00 C ATOM 14 O6 DG A 1 5.612 9.563 16.206 1.00 0.00 O ATOM 15 N1 DG A 1 3.427 9.604 16.818 1.00 0.00 N ATOM 16 C2 DG A 1 2.420 9.686 17.764 1.00 0.00 C ATOM 17 N2 DG A 1 1.159 9.643 17.324 1.00 0.00 N ATOM 18 N3 DG A 1 2.656 9.800 19.081 1.00 0.00 N ATOM 19 C4 DG A 1 3.981 9.813 19.394 1.00 0.00 C ATOM 0 H5' DG A 1 6.046 10.899 24.300 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.525 12.571 24.223 1.00 0.00 H new ATOM 0 H4' DG A 1 3.140 11.753 24.392 1.00 0.00 H new ATOM 0 H3' DG A 1 3.959 9.243 25.155 1.00 0.00 H new ATOM 0 H2' DG A 1 5.258 8.935 23.034 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.764 8.060 22.764 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.994 11.897 26.387 1.00 0.00 H new ATOM 0 H1' DG A 1 2.723 9.961 21.623 1.00 0.00 H new ATOM 0 H8 DG A 1 6.605 9.980 21.258 1.00 0.00 H new ATOM 0 H1 DG A 1 3.155 9.523 15.838 1.00 0.00 H new ATOM 0 H21 DG A 1 0.385 9.700 17.986 1.00 0.00 H new ATOM 0 H22 DG A 1 0.970 9.553 16.326 1.00 0.00 H new ATOM 32 P DC A 2 1.482 8.068 24.550 1.00 0.00 P ATOM 33 OP1 DC A 2 0.442 8.232 25.590 1.00 0.00 O ATOM 34 OP2 DC A 2 2.537 7.045 24.726 1.00 0.00 O ATOM 35 O5' DC A 2 0.749 7.794 23.135 1.00 0.00 O ATOM 36 C5' DC A 2 -0.375 8.559 22.745 1.00 0.00 C ATOM 37 C4' DC A 2 -1.132 8.018 21.534 1.00 0.00 C ATOM 38 O4' DC A 2 -0.366 8.130 20.346 1.00 0.00 O ATOM 39 C3' DC A 2 -1.491 6.549 21.764 1.00 0.00 C ATOM 40 O3' DC A 2 -2.803 6.308 21.283 1.00 0.00 O ATOM 41 C2' DC A 2 -0.388 5.881 20.980 1.00 0.00 C ATOM 42 C1' DC A 2 -0.188 6.836 19.807 1.00 0.00 C ATOM 43 N1 DC A 2 1.183 6.713 19.265 1.00 0.00 N ATOM 44 C2 DC A 2 1.400 6.504 17.902 1.00 0.00 C ATOM 45 O2 DC A 2 0.470 6.479 17.099 1.00 0.00 O ATOM 46 N3 DC A 2 2.684 6.326 17.473 1.00 0.00 N ATOM 47 C4 DC A 2 3.713 6.326 18.337 1.00 0.00 C ATOM 48 N4 DC A 2 4.955 6.189 17.865 1.00 0.00 N ATOM 49 C5 DC A 2 3.497 6.563 19.735 1.00 0.00 C ATOM 50 C6 DC A 2 2.236 6.779 20.133 1.00 0.00 C ATOM 0 H5' DC A 2 -0.046 9.575 22.526 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.064 8.622 23.588 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.037 8.614 21.415 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.532 6.194 22.794 1.00 0.00 H new ATOM 0 H2' DC A 2 0.520 5.770 21.572 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.674 4.884 20.646 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.882 6.622 18.994 1.00 0.00 H new ATOM 0 H41 DC A 2 5.747 6.187 18.507 1.00 0.00 H new ATOM 0 H42 DC A 2 5.111 6.086 16.862 1.00 0.00 H new ATOM 0 H5 DC A 2 4.317 6.567 20.438 1.00 0.00 H new ATOM 0 H6 DC A 2 2.046 7.012 21.170 1.00 0.00 H new ATOM 62 P DG A 3 -3.423 4.826 21.108 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.887 4.914 21.304 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.630 3.870 21.912 1.00 0.00 O ATOM 65 O5' DG A 3 -3.134 4.554 19.542 1.00 0.00 O ATOM 66 C5' DG A 3 -3.789 5.332 18.557 1.00 0.00 C ATOM 67 C4' DG A 3 -3.572 4.830 17.140 1.00 0.00 C ATOM 68 O4' DG A 3 -2.207 4.877 16.767 1.00 0.00 O ATOM 69 C3' DG A 3 -4.101 3.399 17.054 1.00 0.00 C ATOM 70 O3' DG A 3 -5.119 3.302 16.073 1.00 0.00 O ATOM 71 C2' DG A 3 -2.822 2.642 16.748 1.00 0.00 C ATOM 72 C1' DG A 3 -1.864 3.658 16.143 1.00 0.00 C ATOM 73 N9 DG A 3 -0.447 3.364 16.449 1.00 0.00 N ATOM 74 C8 DG A 3 0.141 3.227 17.679 1.00 0.00 C ATOM 75 N7 DG A 3 1.443 3.258 17.662 1.00 0.00 N ATOM 76 C5 DG A 3 1.745 3.396 16.314 1.00 0.00 C ATOM 77 C6 DG A 3 3.008 3.542 15.671 1.00 0.00 C ATOM 78 O6 DG A 3 4.107 3.697 16.197 1.00 0.00 O ATOM 79 N1 DG A 3 2.900 3.495 14.283 1.00 0.00 N ATOM 80 C2 DG A 3 1.703 3.420 13.592 1.00 0.00 C ATOM 81 N2 DG A 3 1.759 3.396 12.257 1.00 0.00 N ATOM 82 N3 DG A 3 0.508 3.402 14.200 1.00 0.00 N ATOM 83 C4 DG A 3 0.597 3.381 15.557 1.00 0.00 C ATOM 0 H5' DG A 3 -3.437 6.361 18.626 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.858 5.345 18.769 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.109 5.477 16.447 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.599 3.008 17.941 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.403 2.203 17.653 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.011 1.823 16.054 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.953 3.661 15.057 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.429 3.103 18.588 1.00 0.00 H new ATOM 0 H1 DG A 3 3.762 3.517 13.738 1.00 0.00 H new ATOM 0 H21 DG A 3 0.899 3.341 11.711 1.00 0.00 H new ATOM 0 H22 DG A 3 2.662 3.433 11.784 1.00 0.00 H new ATOM 95 P DT A 4 -5.844 1.900 15.708 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.084 2.199 14.959 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.896 1.054 16.921 1.00 0.00 O ATOM 98 O5' DT A 4 -4.773 1.266 14.685 1.00 0.00 O ATOM 99 C5' DT A 4 -4.402 1.984 13.530 1.00 0.00 C ATOM 100 C4' DT A 4 -3.201 1.401 12.794 1.00 0.00 C ATOM 101 O4' DT A 4 -2.038 1.549 13.580 1.00 0.00 O ATOM 102 C3' DT A 4 -3.351 -0.084 12.430 1.00 0.00 C ATOM 103 O3' DT A 4 -3.386 -0.213 11.020 1.00 0.00 O ATOM 104 C2' DT A 4 -2.117 -0.694 13.093 1.00 0.00 C ATOM 105 C1' DT A 4 -1.175 0.498 13.227 1.00 0.00 C ATOM 106 N1 DT A 4 -0.170 0.255 14.285 1.00 0.00 N ATOM 107 C2 DT A 4 1.187 0.214 13.968 1.00 0.00 C ATOM 108 O2 DT A 4 1.617 0.237 12.817 1.00 0.00 O ATOM 109 N3 DT A 4 2.059 0.146 15.046 1.00 0.00 N ATOM 110 C4 DT A 4 1.695 0.065 16.385 1.00 0.00 C ATOM 111 O4 DT A 4 2.559 0.032 17.257 1.00 0.00 O ATOM 112 C5 DT A 4 0.261 0.029 16.612 1.00 0.00 C ATOM 113 C7 DT A 4 -0.295 -0.111 18.010 1.00 0.00 C ATOM 114 C6 DT A 4 -0.602 0.128 15.577 1.00 0.00 C ATOM 0 H5' DT A 4 -4.178 3.013 13.811 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.251 2.018 12.848 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.129 1.959 11.860 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.263 -0.577 12.766 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.355 -1.132 14.063 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.682 -1.486 12.484 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.605 0.702 12.321 1.00 0.00 H new ATOM 0 H3 DT A 4 3.057 0.156 14.837 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.261 0.390 18.069 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.419 -1.167 18.248 1.00 0.00 H new ATOM 0 H73 DT A 4 0.393 0.343 18.723 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.663 0.106 15.775 1.00 0.00 H new ATOM 127 P DA A 5 -3.491 -1.644 10.285 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.143 -1.445 8.971 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.040 -2.633 11.239 1.00 0.00 O ATOM 130 O5' DA A 5 -1.939 -1.989 10.035 1.00 0.00 O ATOM 131 C5' DA A 5 -1.150 -1.203 9.163 1.00 0.00 C ATOM 132 C4' DA A 5 0.259 -1.787 9.059 1.00 0.00 C ATOM 133 O4' DA A 5 0.938 -1.681 10.299 1.00 0.00 O ATOM 134 C3' DA A 5 0.245 -3.267 8.647 1.00 0.00 C ATOM 135 O3' DA A 5 1.002 -3.395 7.457 1.00 0.00 O ATOM 136 C2' DA A 5 0.839 -3.947 9.885 1.00 0.00 C ATOM 137 C1' DA A 5 1.725 -2.842 10.469 1.00 0.00 C ATOM 138 N9 DA A 5 2.008 -3.037 11.908 1.00 0.00 N ATOM 139 C8 DA A 5 1.081 -3.244 12.886 1.00 0.00 C ATOM 140 N7 DA A 5 1.526 -3.124 14.103 1.00 0.00 N ATOM 141 C5 DA A 5 2.878 -2.866 13.918 1.00 0.00 C ATOM 142 C6 DA A 5 3.934 -2.634 14.822 1.00 0.00 C ATOM 143 N6 DA A 5 3.740 -2.525 16.140 1.00 0.00 N ATOM 144 N1 DA A 5 5.180 -2.491 14.331 1.00 0.00 N ATOM 145 C2 DA A 5 5.361 -2.545 13.013 1.00 0.00 C ATOM 146 N3 DA A 5 4.445 -2.699 12.057 1.00 0.00 N ATOM 147 C4 DA A 5 3.199 -2.861 12.581 1.00 0.00 C ATOM 0 H5' DA A 5 -1.101 -0.178 9.529 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.611 -1.167 8.176 1.00 0.00 H new ATOM 0 H4' DA A 5 0.774 -1.210 8.291 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.720 -3.712 8.403 1.00 0.00 H new ATOM 0 H2' DA A 5 0.066 -4.262 10.586 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.415 -4.835 9.625 1.00 0.00 H new ATOM 0 H1' DA A 5 2.700 -2.810 9.983 1.00 0.00 H new ATOM 0 H8 DA A 5 0.052 -3.490 12.667 1.00 0.00 H new ATOM 0 H61 DA A 5 4.532 -2.357 16.760 1.00 0.00 H new ATOM 0 H62 DA A 5 2.800 -2.610 16.526 1.00 0.00 H new ATOM 0 H2 DA A 5 6.382 -2.452 12.675 1.00 0.00 H new ATOM 159 P DC A 6 1.279 -4.812 6.741 1.00 0.00 P ATOM 160 OP1 DC A 6 1.626 -4.559 5.325 1.00 0.00 O ATOM 161 OP2 DC A 6 0.183 -5.746 7.081 1.00 0.00 O ATOM 162 O5' DC A 6 2.608 -5.278 7.513 1.00 0.00 O ATOM 163 C5' DC A 6 3.781 -4.489 7.479 1.00 0.00 C ATOM 164 C4' DC A 6 4.818 -5.063 8.439 1.00 0.00 C ATOM 165 O4' DC A 6 4.336 -4.905 9.754 1.00 0.00 O ATOM 166 C3' DC A 6 5.164 -6.543 8.263 1.00 0.00 C ATOM 167 O3' DC A 6 6.367 -6.724 7.534 1.00 0.00 O ATOM 168 C2' DC A 6 5.230 -7.051 9.701 1.00 0.00 C ATOM 169 C1' DC A 6 5.056 -5.807 10.553 1.00 0.00 C ATOM 170 N1 DC A 6 4.339 -6.080 11.824 1.00 0.00 N ATOM 171 C2 DC A 6 5.016 -5.907 13.028 1.00 0.00 C ATOM 172 O2 DC A 6 6.232 -5.739 13.064 1.00 0.00 O ATOM 173 N3 DC A 6 4.298 -5.925 14.184 1.00 0.00 N ATOM 174 C4 DC A 6 2.975 -6.140 14.182 1.00 0.00 C ATOM 175 N4 DC A 6 2.324 -6.081 15.348 1.00 0.00 N ATOM 176 C5 DC A 6 2.264 -6.380 12.956 1.00 0.00 C ATOM 177 C6 DC A 6 2.991 -6.345 11.815 1.00 0.00 C ATOM 0 H5' DC A 6 3.547 -3.461 7.755 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.184 -4.464 6.467 1.00 0.00 H new ATOM 0 H4' DC A 6 5.733 -4.512 8.222 1.00 0.00 H new ATOM 0 H3' DC A 6 4.437 -7.097 7.669 1.00 0.00 H new ATOM 0 H2' DC A 6 4.446 -7.781 9.900 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.182 -7.542 9.905 1.00 0.00 H new ATOM 0 H1' DC A 6 6.025 -5.410 10.855 1.00 0.00 H new ATOM 0 H41 DC A 6 1.317 -6.240 15.378 1.00 0.00 H new ATOM 0 H42 DC A 6 2.834 -5.877 16.207 1.00 0.00 H new ATOM 0 H5 DC A 6 1.202 -6.578 12.946 1.00 0.00 H new ATOM 0 H6 DC A 6 2.498 -6.530 10.872 1.00 0.00 H new ATOM 189 P DG A 7 6.987 -8.193 7.242 1.00 0.00 P ATOM 190 OP1 DG A 7 7.944 -8.073 6.120 1.00 0.00 O ATOM 191 OP2 DG A 7 5.875 -9.167 7.159 1.00 0.00 O ATOM 192 O5' DG A 7 7.825 -8.496 8.589 1.00 0.00 O ATOM 193 C5' DG A 7 8.925 -7.685 8.950 1.00 0.00 C ATOM 194 C4' DG A 7 9.555 -8.084 10.286 1.00 0.00 C ATOM 195 O4' DG A 7 8.668 -7.813 11.361 1.00 0.00 O ATOM 196 C3' DG A 7 9.920 -9.575 10.317 1.00 0.00 C ATOM 197 O3' DG A 7 11.253 -9.739 10.769 1.00 0.00 O ATOM 198 C2' DG A 7 8.868 -10.105 11.280 1.00 0.00 C ATOM 199 C1' DG A 7 8.688 -8.928 12.227 1.00 0.00 C ATOM 200 N9 DG A 7 7.422 -9.021 12.984 1.00 0.00 N ATOM 201 C8 DG A 7 6.180 -9.346 12.507 1.00 0.00 C ATOM 202 N7 DG A 7 5.217 -9.212 13.374 1.00 0.00 N ATOM 203 C5 DG A 7 5.874 -8.810 14.532 1.00 0.00 C ATOM 204 C6 DG A 7 5.353 -8.542 15.834 1.00 0.00 C ATOM 205 O6 DG A 7 4.177 -8.511 16.183 1.00 0.00 O ATOM 206 N1 DG A 7 6.355 -8.296 16.768 1.00 0.00 N ATOM 207 C2 DG A 7 7.707 -8.281 16.477 1.00 0.00 C ATOM 208 N2 DG A 7 8.549 -8.065 17.492 1.00 0.00 N ATOM 209 N3 DG A 7 8.194 -8.477 15.242 1.00 0.00 N ATOM 210 C4 DG A 7 7.231 -8.742 14.318 1.00 0.00 C ATOM 0 H5' DG A 7 8.600 -6.646 9.005 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.682 -7.741 8.168 1.00 0.00 H new ATOM 0 H4' DG A 7 10.464 -7.493 10.395 1.00 0.00 H new ATOM 0 H3' DG A 7 9.908 -10.096 9.360 1.00 0.00 H new ATOM 0 H2' DG A 7 7.940 -10.364 10.769 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.206 -11.001 11.801 1.00 0.00 H new ATOM 0 H1' DG A 7 9.473 -8.879 12.982 1.00 0.00 H new ATOM 0 H8 DG A 7 6.013 -9.685 11.495 1.00 0.00 H new ATOM 0 H1 DG A 7 6.073 -8.115 17.731 1.00 0.00 H new ATOM 0 H21 DG A 7 9.555 -8.045 17.325 1.00 0.00 H new ATOM 0 H22 DG A 7 8.186 -7.920 18.434 1.00 0.00 H new ATOM 222 P DC A 8 11.928 -11.196 10.947 1.00 0.00 P ATOM 223 OP1 DC A 8 13.396 -11.045 10.847 1.00 0.00 O ATOM 224 OP2 DC A 8 11.224 -12.159 10.070 1.00 0.00 O ATOM 225 O5' DC A 8 11.553 -11.535 12.476 1.00 0.00 O ATOM 226 C5' DC A 8 12.198 -10.868 13.541 1.00 0.00 C ATOM 227 C4' DC A 8 11.561 -11.218 14.886 1.00 0.00 C ATOM 228 O4' DC A 8 10.211 -10.818 14.899 1.00 0.00 O ATOM 229 C3' DC A 8 11.530 -12.712 15.210 1.00 0.00 C ATOM 230 O3' DC A 8 12.737 -13.164 15.788 1.00 0.00 O ATOM 231 C2' DC A 8 10.358 -12.807 16.185 1.00 0.00 C ATOM 232 C1' DC A 8 9.590 -11.497 15.971 1.00 0.00 C ATOM 233 N1 DC A 8 8.155 -11.745 15.668 1.00 0.00 N ATOM 234 C2 DC A 8 7.204 -11.557 16.672 1.00 0.00 C ATOM 235 O2 DC A 8 7.531 -11.266 17.820 1.00 0.00 O ATOM 236 N3 DC A 8 5.888 -11.703 16.354 1.00 0.00 N ATOM 237 C4 DC A 8 5.502 -12.034 15.113 1.00 0.00 C ATOM 238 N4 DC A 8 4.193 -12.108 14.853 1.00 0.00 N ATOM 239 C5 DC A 8 6.465 -12.272 14.074 1.00 0.00 C ATOM 240 C6 DC A 8 7.769 -12.114 14.401 1.00 0.00 C ATOM 0 H5' DC A 8 12.147 -9.791 13.382 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.254 -11.138 13.555 1.00 0.00 H new ATOM 0 H4' DC A 8 12.185 -10.703 15.617 1.00 0.00 H new ATOM 0 H3' DC A 8 11.416 -13.341 14.327 1.00 0.00 H new ATOM 0 H2' DC A 8 9.733 -13.675 15.975 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.702 -12.904 17.215 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.669 -14.123 15.979 1.00 0.00 H new ATOM 0 H1' DC A 8 9.617 -10.899 16.882 1.00 0.00 H new ATOM 0 H41 DC A 8 3.872 -12.358 13.917 1.00 0.00 H new ATOM 0 H42 DC A 8 3.515 -11.915 15.590 1.00 0.00 H new ATOM 0 H5 DC A 8 6.163 -12.563 13.079 1.00 0.00 H new ATOM 0 H6 DC A 8 8.525 -12.282 13.648 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.146 -12.869 24.865 1.00 0.00 O ATOM 255 C5' DG B 1 -0.950 -11.472 24.932 1.00 0.00 C ATOM 256 C4' DG B 1 0.550 -11.154 24.969 1.00 0.00 C ATOM 257 O4' DG B 1 1.155 -11.570 23.750 1.00 0.00 O ATOM 258 C3' DG B 1 0.811 -9.652 25.136 1.00 0.00 C ATOM 259 O3' DG B 1 2.005 -9.441 25.871 1.00 0.00 O ATOM 260 C2' DG B 1 0.945 -9.265 23.673 1.00 0.00 C ATOM 261 C1' DG B 1 1.749 -10.443 23.138 1.00 0.00 C ATOM 262 N9 DG B 1 1.705 -10.530 21.656 1.00 0.00 N ATOM 263 C8 DG B 1 0.612 -10.597 20.818 1.00 0.00 C ATOM 264 N7 DG B 1 0.915 -10.694 19.554 1.00 0.00 N ATOM 265 C5 DG B 1 2.304 -10.704 19.540 1.00 0.00 C ATOM 266 C6 DG B 1 3.206 -10.826 18.440 1.00 0.00 C ATOM 267 O6 DG B 1 2.929 -10.944 17.248 1.00 0.00 O ATOM 268 N1 DG B 1 4.539 -10.803 18.841 1.00 0.00 N ATOM 269 C2 DG B 1 4.957 -10.692 20.156 1.00 0.00 C ATOM 270 N2 DG B 1 6.274 -10.674 20.383 1.00 0.00 N ATOM 271 N3 DG B 1 4.107 -10.597 21.192 1.00 0.00 N ATOM 272 C4 DG B 1 2.798 -10.609 20.820 1.00 0.00 C ATOM 0 H5' DG B 1 -1.437 -11.070 25.820 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.411 -10.990 24.070 1.00 0.00 H new ATOM 0 H4' DG B 1 0.973 -11.684 25.822 1.00 0.00 H new ATOM 0 H3' DG B 1 0.060 -9.083 25.683 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.023 -9.168 23.181 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.466 -8.316 23.543 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.106 -13.064 24.843 1.00 0.00 H new ATOM 0 H1' DG B 1 2.810 -10.353 23.370 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.406 -10.571 21.178 1.00 0.00 H new ATOM 0 H1 DG B 1 5.255 -10.873 18.118 1.00 0.00 H new ATOM 0 H21 DG B 1 6.626 -10.594 21.337 1.00 0.00 H new ATOM 0 H22 DG B 1 6.927 -10.741 19.602 1.00 0.00 H new ATOM 285 P DC B 2 2.576 -7.963 26.194 1.00 0.00 P ATOM 286 OP1 DC B 2 2.976 -7.928 27.618 1.00 0.00 O ATOM 287 OP2 DC B 2 1.621 -6.957 25.679 1.00 0.00 O ATOM 288 O5' DC B 2 3.912 -7.899 25.286 1.00 0.00 O ATOM 289 C5' DC B 2 5.045 -8.680 25.612 1.00 0.00 C ATOM 290 C4' DC B 2 6.319 -8.316 24.854 1.00 0.00 C ATOM 291 O4' DC B 2 6.221 -8.642 23.479 1.00 0.00 O ATOM 292 C3' DC B 2 6.593 -6.818 24.997 1.00 0.00 C ATOM 293 O3' DC B 2 7.984 -6.612 25.183 1.00 0.00 O ATOM 294 C2' DC B 2 6.042 -6.321 23.683 1.00 0.00 C ATOM 295 C1' DC B 2 6.390 -7.458 22.727 1.00 0.00 C ATOM 296 N1 DC B 2 5.463 -7.471 21.574 1.00 0.00 N ATOM 297 C2 DC B 2 5.946 -7.496 20.264 1.00 0.00 C ATOM 298 O2 DC B 2 7.148 -7.571 20.023 1.00 0.00 O ATOM 299 N3 DC B 2 5.041 -7.438 19.243 1.00 0.00 N ATOM 300 C4 DC B 2 3.724 -7.332 19.484 1.00 0.00 C ATOM 301 N4 DC B 2 2.875 -7.321 18.453 1.00 0.00 N ATOM 302 C5 DC B 2 3.222 -7.327 20.828 1.00 0.00 C ATOM 303 C6 DC B 2 4.119 -7.430 21.818 1.00 0.00 C ATOM 0 H5' DC B 2 4.813 -9.728 25.420 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.237 -8.586 26.681 1.00 0.00 H new ATOM 0 H4' DC B 2 7.138 -8.893 25.284 1.00 0.00 H new ATOM 0 H3' DC B 2 6.147 -6.303 25.848 1.00 0.00 H new ATOM 0 H2' DC B 2 4.967 -6.148 23.733 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.502 -5.381 23.380 1.00 0.00 H new ATOM 0 H1' DC B 2 7.401 -7.353 22.333 1.00 0.00 H new ATOM 0 H41 DC B 2 1.872 -7.241 18.619 1.00 0.00 H new ATOM 0 H42 DC B 2 3.230 -7.392 17.499 1.00 0.00 H new ATOM 0 H5 DC B 2 2.165 -7.244 21.033 1.00 0.00 H new ATOM 0 H6 DC B 2 3.770 -7.482 22.839 1.00 0.00 H new ATOM 315 P DG B 3 8.682 -5.157 25.104 1.00 0.00 P ATOM 316 OP1 DG B 3 9.862 -5.163 25.997 1.00 0.00 O ATOM 317 OP2 DG B 3 7.646 -4.112 25.263 1.00 0.00 O ATOM 318 O5' DG B 3 9.201 -5.145 23.574 1.00 0.00 O ATOM 319 C5' DG B 3 10.216 -6.044 23.166 1.00 0.00 C ATOM 320 C4' DG B 3 10.734 -5.781 21.762 1.00 0.00 C ATOM 321 O4' DG B 3 9.720 -5.938 20.787 1.00 0.00 O ATOM 322 C3' DG B 3 11.301 -4.362 21.719 1.00 0.00 C ATOM 323 O3' DG B 3 12.671 -4.384 21.355 1.00 0.00 O ATOM 324 C2' DG B 3 10.366 -3.714 20.715 1.00 0.00 C ATOM 325 C1' DG B 3 9.779 -4.850 19.890 1.00 0.00 C ATOM 326 N9 DG B 3 8.407 -4.565 19.417 1.00 0.00 N ATOM 327 C8 DG B 3 7.302 -4.257 20.166 1.00 0.00 C ATOM 328 N7 DG B 3 6.173 -4.340 19.523 1.00 0.00 N ATOM 329 C5 DG B 3 6.558 -4.702 18.238 1.00 0.00 C ATOM 330 C6 DG B 3 5.763 -4.996 17.094 1.00 0.00 C ATOM 331 O6 DG B 3 4.541 -5.107 17.036 1.00 0.00 O ATOM 332 N1 DG B 3 6.534 -5.167 15.947 1.00 0.00 N ATOM 333 C2 DG B 3 7.917 -5.157 15.924 1.00 0.00 C ATOM 334 N2 DG B 3 8.518 -5.348 14.746 1.00 0.00 N ATOM 335 N3 DG B 3 8.666 -4.997 17.026 1.00 0.00 N ATOM 336 C4 DG B 3 7.928 -4.764 18.145 1.00 0.00 C ATOM 0 H5' DG B 3 9.830 -7.062 23.217 1.00 0.00 H new ATOM 0 H5'' DG B 3 11.047 -5.983 23.868 1.00 0.00 H new ATOM 0 H4' DG B 3 11.510 -6.510 21.528 1.00 0.00 H new ATOM 0 H3' DG B 3 11.323 -3.815 22.662 1.00 0.00 H new ATOM 0 H2' DG B 3 9.580 -3.153 21.220 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.903 -3.009 20.081 1.00 0.00 H new ATOM 0 H1' DG B 3 10.384 -5.025 19.000 1.00 0.00 H new ATOM 0 H8 DG B 3 7.363 -3.969 21.205 1.00 0.00 H new ATOM 0 H1 DG B 3 6.045 -5.309 15.063 1.00 0.00 H new ATOM 0 H21 DG B 3 9.536 -5.348 14.687 1.00 0.00 H new ATOM 0 H22 DG B 3 7.958 -5.494 13.906 1.00 0.00 H new ATOM 348 P DT B 4 13.543 -3.031 21.174 1.00 0.00 P ATOM 349 OP1 DT B 4 14.976 -3.398 21.180 1.00 0.00 O ATOM 350 OP2 DT B 4 13.036 -2.002 22.109 1.00 0.00 O ATOM 351 O5' DT B 4 13.133 -2.609 19.674 1.00 0.00 O ATOM 352 C5' DT B 4 13.338 -3.514 18.613 1.00 0.00 C ATOM 353 C4' DT B 4 12.671 -3.102 17.306 1.00 0.00 C ATOM 354 O4' DT B 4 11.268 -3.167 17.442 1.00 0.00 O ATOM 355 C3' DT B 4 13.045 -1.690 16.831 1.00 0.00 C ATOM 356 O3' DT B 4 13.764 -1.785 15.615 1.00 0.00 O ATOM 357 C2' DT B 4 11.672 -1.029 16.706 1.00 0.00 C ATOM 358 C1' DT B 4 10.732 -2.220 16.554 1.00 0.00 C ATOM 359 N1 DT B 4 9.352 -1.851 16.937 1.00 0.00 N ATOM 360 C2 DT B 4 8.322 -1.913 15.999 1.00 0.00 C ATOM 361 O2 DT B 4 8.504 -2.134 14.804 1.00 0.00 O ATOM 362 N3 DT B 4 7.040 -1.708 16.492 1.00 0.00 N ATOM 363 C4 DT B 4 6.713 -1.403 17.808 1.00 0.00 C ATOM 364 O4 DT B 4 5.537 -1.266 18.134 1.00 0.00 O ATOM 365 C5 DT B 4 7.857 -1.274 18.694 1.00 0.00 C ATOM 366 C7 DT B 4 7.671 -0.893 20.144 1.00 0.00 C ATOM 367 C6 DT B 4 9.109 -1.503 18.238 1.00 0.00 C ATOM 0 H5' DT B 4 12.962 -4.494 18.907 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.409 -3.622 18.444 1.00 0.00 H new ATOM 0 H4' DT B 4 13.035 -3.804 16.556 1.00 0.00 H new ATOM 0 H3' DT B 4 13.701 -1.116 17.485 1.00 0.00 H new ATOM 0 H2' DT B 4 11.429 -0.433 17.586 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.622 -0.362 15.845 1.00 0.00 H new ATOM 0 H1' DT B 4 10.665 -2.588 15.530 1.00 0.00 H new ATOM 0 H3 DT B 4 6.269 -1.788 15.829 1.00 0.00 H new ATOM 0 H71 DT B 4 8.465 -1.339 20.742 1.00 0.00 H new ATOM 0 H72 DT B 4 7.708 0.192 20.243 1.00 0.00 H new ATOM 0 H73 DT B 4 6.705 -1.256 20.495 1.00 0.00 H new ATOM 0 H6 DT B 4 9.941 -1.409 18.920 1.00 0.00 H new ATOM 380 P DA B 5 14.280 -0.486 14.812 1.00 0.00 P ATOM 381 OP1 DA B 5 15.472 -0.871 14.023 1.00 0.00 O ATOM 382 OP2 DA B 5 14.353 0.658 15.748 1.00 0.00 O ATOM 383 O5' DA B 5 13.058 -0.232 13.795 1.00 0.00 O ATOM 384 C5' DA B 5 12.749 -1.168 12.781 1.00 0.00 C ATOM 385 C4' DA B 5 11.590 -0.653 11.927 1.00 0.00 C ATOM 386 O4' DA B 5 10.395 -0.592 12.687 1.00 0.00 O ATOM 387 C3' DA B 5 11.866 0.748 11.356 1.00 0.00 C ATOM 388 O3' DA B 5 11.790 0.664 9.945 1.00 0.00 O ATOM 389 C2' DA B 5 10.773 1.585 12.029 1.00 0.00 C ATOM 390 C1' DA B 5 9.671 0.548 12.273 1.00 0.00 C ATOM 391 N9 DA B 5 8.734 0.951 13.344 1.00 0.00 N ATOM 392 C8 DA B 5 9.079 1.343 14.604 1.00 0.00 C ATOM 393 N7 DA B 5 8.094 1.399 15.454 1.00 0.00 N ATOM 394 C5 DA B 5 6.992 1.063 14.678 1.00 0.00 C ATOM 395 C6 DA B 5 5.621 0.936 14.979 1.00 0.00 C ATOM 396 N6 DA B 5 5.147 1.045 16.224 1.00 0.00 N ATOM 397 N1 DA B 5 4.765 0.667 13.976 1.00 0.00 N ATOM 398 C2 DA B 5 5.249 0.505 12.746 1.00 0.00 C ATOM 399 N3 DA B 5 6.519 0.543 12.343 1.00 0.00 N ATOM 400 C4 DA B 5 7.360 0.835 13.373 1.00 0.00 C ATOM 0 H5' DA B 5 12.484 -2.126 13.228 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.624 -1.340 12.155 1.00 0.00 H new ATOM 0 H4' DA B 5 11.482 -1.357 11.102 1.00 0.00 H new ATOM 0 H3' DA B 5 12.845 1.187 11.549 1.00 0.00 H new ATOM 0 H2' DA B 5 11.120 2.036 12.959 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.431 2.398 11.389 1.00 0.00 H new ATOM 0 H1' DA B 5 9.053 0.401 11.387 1.00 0.00 H new ATOM 0 H8 DA B 5 10.095 1.589 14.877 1.00 0.00 H new ATOM 0 H61 DA B 5 4.147 0.946 16.399 1.00 0.00 H new ATOM 0 H62 DA B 5 5.785 1.227 16.999 1.00 0.00 H new ATOM 0 H2 DA B 5 4.517 0.318 11.974 1.00 0.00 H new ATOM 412 P DC B 6 11.951 1.945 8.980 1.00 0.00 P ATOM 413 OP1 DC B 6 12.331 1.469 7.632 1.00 0.00 O ATOM 414 OP2 DC B 6 12.774 2.965 9.667 1.00 0.00 O ATOM 415 O5' DC B 6 10.432 2.464 8.924 1.00 0.00 O ATOM 416 C5' DC B 6 9.397 1.628 8.446 1.00 0.00 C ATOM 417 C4' DC B 6 8.044 2.296 8.676 1.00 0.00 C ATOM 418 O4' DC B 6 7.819 2.366 10.065 1.00 0.00 O ATOM 419 C3' DC B 6 7.883 3.714 8.123 1.00 0.00 C ATOM 420 O3' DC B 6 7.196 3.724 6.882 1.00 0.00 O ATOM 421 C2' DC B 6 7.143 4.436 9.246 1.00 0.00 C ATOM 422 C1' DC B 6 6.836 3.348 10.260 1.00 0.00 C ATOM 423 N1 DC B 6 6.855 3.848 11.658 1.00 0.00 N ATOM 424 C2 DC B 6 5.672 3.837 12.392 1.00 0.00 C ATOM 425 O2 DC B 6 4.586 3.628 11.858 1.00 0.00 O ATOM 426 N3 DC B 6 5.738 4.065 13.732 1.00 0.00 N ATOM 427 C4 DC B 6 6.903 4.330 14.339 1.00 0.00 C ATOM 428 N4 DC B 6 6.901 4.483 15.667 1.00 0.00 N ATOM 429 C5 DC B 6 8.129 4.404 13.593 1.00 0.00 C ATOM 430 C6 DC B 6 8.047 4.163 12.264 1.00 0.00 C ATOM 0 H5' DC B 6 9.429 0.666 8.957 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.539 1.430 7.384 1.00 0.00 H new ATOM 0 H4' DC B 6 7.330 1.678 8.132 1.00 0.00 H new ATOM 0 H3' DC B 6 8.827 4.202 7.880 1.00 0.00 H new ATOM 0 H2' DC B 6 7.756 5.224 9.683 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.230 4.907 8.881 1.00 0.00 H new ATOM 0 H1' DC B 6 5.829 2.959 10.112 1.00 0.00 H new ATOM 0 H41 DC B 6 7.772 4.685 16.158 1.00 0.00 H new ATOM 0 H42 DC B 6 6.029 4.397 16.189 1.00 0.00 H new ATOM 0 H5 DC B 6 9.069 4.640 14.069 1.00 0.00 H new ATOM 0 H6 DC B 6 8.943 4.220 11.663 1.00 0.00 H new ATOM 442 P DG B 7 6.849 5.098 6.099 1.00 0.00 P ATOM 443 OP1 DG B 7 6.558 4.762 4.687 1.00 0.00 O ATOM 444 OP2 DG B 7 7.891 6.100 6.417 1.00 0.00 O ATOM 445 O5' DG B 7 5.470 5.565 6.799 1.00 0.00 O ATOM 446 C5' DG B 7 4.308 4.766 6.703 1.00 0.00 C ATOM 447 C4' DG B 7 3.119 5.338 7.478 1.00 0.00 C ATOM 448 O4' DG B 7 3.357 5.283 8.877 1.00 0.00 O ATOM 449 C3' DG B 7 2.837 6.795 7.087 1.00 0.00 C ATOM 450 O3' DG B 7 1.459 6.964 6.802 1.00 0.00 O ATOM 451 C2' DG B 7 3.305 7.521 8.340 1.00 0.00 C ATOM 452 C1' DG B 7 2.959 6.519 9.431 1.00 0.00 C ATOM 453 N9 DG B 7 3.700 6.791 10.682 1.00 0.00 N ATOM 454 C8 DG B 7 5.028 7.095 10.823 1.00 0.00 C ATOM 455 N7 DG B 7 5.442 7.142 12.057 1.00 0.00 N ATOM 456 C5 DG B 7 4.291 6.896 12.798 1.00 0.00 C ATOM 457 C6 DG B 7 4.104 6.858 14.212 1.00 0.00 C ATOM 458 O6 DG B 7 4.961 6.933 15.088 1.00 0.00 O ATOM 459 N1 DG B 7 2.766 6.717 14.569 1.00 0.00 N ATOM 460 C2 DG B 7 1.726 6.597 13.665 1.00 0.00 C ATOM 461 N2 DG B 7 0.490 6.505 14.164 1.00 0.00 N ATOM 462 N3 DG B 7 1.908 6.574 12.335 1.00 0.00 N ATOM 463 C4 DG B 7 3.208 6.734 11.966 1.00 0.00 C ATOM 0 H5' DG B 7 4.530 3.766 7.076 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.033 4.660 5.654 1.00 0.00 H new ATOM 0 H4' DG B 7 2.253 4.727 7.223 1.00 0.00 H new ATOM 0 H3' DG B 7 3.331 7.158 6.186 1.00 0.00 H new ATOM 0 H2' DG B 7 4.372 7.740 8.310 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.788 8.471 8.479 1.00 0.00 H new ATOM 0 H1' DG B 7 1.905 6.553 9.706 1.00 0.00 H new ATOM 0 H8 DG B 7 5.678 7.280 9.981 1.00 0.00 H new ATOM 0 H1 DG B 7 2.537 6.701 15.563 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.308 6.415 13.536 1.00 0.00 H new ATOM 0 H22 DG B 7 0.345 6.525 15.173 1.00 0.00 H new ATOM 475 P DC B 8 0.836 8.397 6.391 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.403 8.160 5.616 1.00 0.00 O ATOM 477 OP2 DC B 8 1.911 9.242 5.824 1.00 0.00 O ATOM 478 O5' DC B 8 0.430 8.991 7.831 1.00 0.00 O ATOM 479 C5' DC B 8 -0.675 8.470 8.540 1.00 0.00 C ATOM 480 C4' DC B 8 -0.761 9.058 9.949 1.00 0.00 C ATOM 481 O4' DC B 8 0.397 8.730 10.680 1.00 0.00 O ATOM 482 C3' DC B 8 -0.840 10.584 10.002 1.00 0.00 C ATOM 483 O3' DC B 8 -2.160 11.059 9.844 1.00 0.00 O ATOM 484 C2' DC B 8 -0.288 10.887 11.394 1.00 0.00 C ATOM 485 C1' DC B 8 0.442 9.598 11.793 1.00 0.00 C ATOM 486 N1 DC B 8 1.851 9.864 12.188 1.00 0.00 N ATOM 487 C2 DC B 8 2.186 9.881 13.543 1.00 0.00 C ATOM 488 O2 DC B 8 1.333 9.758 14.418 1.00 0.00 O ATOM 489 N3 DC B 8 3.496 10.037 13.885 1.00 0.00 N ATOM 490 C4 DC B 8 4.447 10.188 12.952 1.00 0.00 C ATOM 491 N4 DC B 8 5.720 10.283 13.351 1.00 0.00 N ATOM 492 C5 DC B 8 4.120 10.216 11.553 1.00 0.00 C ATOM 493 C6 DC B 8 2.817 10.049 11.228 1.00 0.00 C ATOM 0 H5' DC B 8 -0.591 7.385 8.601 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.594 8.688 7.996 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.679 8.635 10.357 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.290 11.072 9.197 1.00 0.00 H new ATOM 0 H2' DC B 8 0.390 11.741 11.377 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.086 11.127 12.096 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.163 12.038 9.886 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.045 9.150 12.659 1.00 0.00 H new ATOM 0 H41 DC B 8 6.463 10.398 12.662 1.00 0.00 H new ATOM 0 H42 DC B 8 5.948 10.240 14.344 1.00 0.00 H new ATOM 0 H5 DC B 8 4.878 10.363 10.797 1.00 0.00 H new ATOM 0 H6 DC B 8 2.529 10.061 10.187 1.00 0.00 H new TER 506 DC B 8