USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 52:sc= 0.827 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.37! (180deg=-7.53!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.262 -3.668 -7.353 1.00 0.00 O ATOM 2 C5' DG A 1 3.344 -3.643 -8.777 1.00 0.00 C ATOM 3 C4' DG A 1 1.993 -3.309 -9.412 1.00 0.00 C ATOM 4 O4' DG A 1 1.013 -4.265 -9.000 1.00 0.00 O ATOM 5 C3' DG A 1 1.444 -1.948 -9.033 1.00 0.00 C ATOM 6 O3' DG A 1 1.939 -0.950 -9.931 1.00 0.00 O ATOM 7 C2' DG A 1 -0.056 -2.122 -9.227 1.00 0.00 C ATOM 8 C1' DG A 1 -0.267 -3.613 -8.959 1.00 0.00 C ATOM 9 N9 DG A 1 -0.879 -3.890 -7.646 1.00 0.00 N ATOM 10 C8 DG A 1 -2.188 -3.780 -7.270 1.00 0.00 C ATOM 11 N7 DG A 1 -2.432 -4.068 -6.027 1.00 0.00 N ATOM 12 C5 DG A 1 -1.176 -4.401 -5.523 1.00 0.00 C ATOM 13 C6 DG A 1 -0.799 -4.807 -4.213 1.00 0.00 C ATOM 14 O6 DG A 1 -1.513 -4.947 -3.223 1.00 0.00 O ATOM 15 N1 DG A 1 0.566 -5.050 -4.130 1.00 0.00 N ATOM 16 C2 DG A 1 1.460 -4.921 -5.172 1.00 0.00 C ATOM 17 N2 DG A 1 2.733 -5.204 -4.894 1.00 0.00 N ATOM 18 N3 DG A 1 1.110 -4.538 -6.406 1.00 0.00 N ATOM 19 C4 DG A 1 -0.218 -4.297 -6.509 1.00 0.00 C ATOM 0 H5' DG A 1 3.688 -4.612 -9.139 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.085 -2.906 -9.087 1.00 0.00 H new ATOM 0 H4' DG A 1 2.178 -3.321 -10.486 1.00 0.00 H new ATOM 0 H3' DG A 1 1.721 -1.633 -8.027 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.627 -1.503 -8.535 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.368 -1.845 -10.234 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.527 -4.255 -7.078 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.950 -3.984 -9.723 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.964 -3.476 -7.957 1.00 0.00 H new ATOM 0 H1 DG A 1 0.936 -5.347 -3.227 1.00 0.00 H new ATOM 0 H21 DG A 1 3.443 -5.128 -5.622 1.00 0.00 H new ATOM 0 H22 DG A 1 2.997 -5.497 -3.953 1.00 0.00 H new ATOM 32 P DG A 2 2.147 0.564 -9.423 1.00 0.00 P ATOM 33 OP1 DG A 2 2.649 1.371 -10.558 1.00 0.00 O ATOM 34 OP2 DG A 2 2.905 0.521 -8.154 1.00 0.00 O ATOM 35 O5' DG A 2 0.639 1.033 -9.097 1.00 0.00 O ATOM 36 C5' DG A 2 -0.321 1.168 -10.148 1.00 0.00 C ATOM 37 C4' DG A 2 -1.746 1.285 -9.606 1.00 0.00 C ATOM 38 O4' DG A 2 -2.103 0.110 -8.882 1.00 0.00 O ATOM 39 C3' DG A 2 -1.957 2.458 -8.660 1.00 0.00 C ATOM 40 O3' DG A 2 -2.368 3.614 -9.394 1.00 0.00 O ATOM 41 C2' DG A 2 -3.085 1.982 -7.765 1.00 0.00 C ATOM 42 C1' DG A 2 -2.816 0.482 -7.691 1.00 0.00 C ATOM 43 N9 DG A 2 -1.991 0.088 -6.533 1.00 0.00 N ATOM 44 C8 DG A 2 -0.631 0.007 -6.433 1.00 0.00 C ATOM 45 N7 DG A 2 -0.183 -0.341 -5.263 1.00 0.00 N ATOM 46 C5 DG A 2 -1.346 -0.509 -4.513 1.00 0.00 C ATOM 47 C6 DG A 2 -1.506 -0.888 -3.150 1.00 0.00 C ATOM 48 O6 DG A 2 -0.634 -1.146 -2.323 1.00 0.00 O ATOM 49 N1 DG A 2 -2.847 -0.942 -2.791 1.00 0.00 N ATOM 50 C2 DG A 2 -3.905 -0.666 -3.633 1.00 0.00 C ATOM 51 N2 DG A 2 -5.125 -0.775 -3.106 1.00 0.00 N ATOM 52 N3 DG A 2 -3.758 -0.308 -4.913 1.00 0.00 N ATOM 53 C4 DG A 2 -2.458 -0.250 -5.283 1.00 0.00 C ATOM 0 H5' DG A 2 -0.255 0.307 -10.813 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.086 2.050 -10.744 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.365 1.433 -10.491 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.058 2.736 -8.111 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.052 2.452 -6.782 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.064 2.201 -8.191 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.779 -0.019 -7.590 1.00 0.00 H new ATOM 0 H8 DG A 2 0.024 0.217 -7.265 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.067 -1.206 -1.831 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.947 -0.584 -3.679 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.236 -1.050 -2.130 1.00 0.00 H new ATOM 65 P DG A 3 -2.249 5.073 -8.727 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.341 6.083 -9.804 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.084 5.069 -7.814 1.00 0.00 O ATOM 68 O5' DG A 3 -3.589 5.159 -7.839 1.00 0.00 O ATOM 69 C5' DG A 3 -4.873 5.035 -8.457 1.00 0.00 C ATOM 70 C4' DG A 3 -6.004 5.177 -7.443 1.00 0.00 C ATOM 71 O4' DG A 3 -5.788 4.232 -6.378 1.00 0.00 O ATOM 72 C3' DG A 3 -6.098 6.567 -6.819 1.00 0.00 C ATOM 73 O3' DG A 3 -7.468 6.981 -6.804 1.00 0.00 O ATOM 74 C2' DG A 3 -5.596 6.410 -5.390 1.00 0.00 C ATOM 75 C1' DG A 3 -5.659 4.910 -5.124 1.00 0.00 C ATOM 76 N9 DG A 3 -4.458 4.374 -4.453 1.00 0.00 N ATOM 77 C8 DG A 3 -3.188 4.240 -4.937 1.00 0.00 C ATOM 78 N7 DG A 3 -2.328 3.740 -4.101 1.00 0.00 N ATOM 79 C5 DG A 3 -3.088 3.520 -2.956 1.00 0.00 C ATOM 80 C6 DG A 3 -2.701 2.985 -1.698 1.00 0.00 C ATOM 81 O6 DG A 3 -1.590 2.596 -1.343 1.00 0.00 O ATOM 82 N1 DG A 3 -3.773 2.929 -0.817 1.00 0.00 N ATOM 83 C2 DG A 3 -5.059 3.336 -1.106 1.00 0.00 C ATOM 84 N2 DG A 3 -5.955 3.202 -0.129 1.00 0.00 N ATOM 85 N3 DG A 3 -5.426 3.842 -2.289 1.00 0.00 N ATOM 86 C4 DG A 3 -4.395 3.904 -3.162 1.00 0.00 C ATOM 0 H5' DG A 3 -4.947 4.066 -8.951 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.980 5.796 -9.230 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.933 4.996 -7.984 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.519 7.308 -7.371 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.580 6.789 -5.283 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.219 6.964 -4.688 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.509 4.746 -4.461 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.918 4.529 -5.942 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.596 2.558 0.116 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.923 3.486 -0.282 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.673 2.816 0.772 1.00 0.00 H new ATOM 98 P DG A 4 -8.025 7.996 -7.923 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.955 8.968 -8.240 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.356 8.478 -7.489 1.00 0.00 O ATOM 101 O5' DG A 4 -8.231 7.035 -9.198 1.00 0.00 O ATOM 102 C5' DG A 4 -9.495 6.411 -9.437 1.00 0.00 C ATOM 103 C4' DG A 4 -9.513 5.674 -10.775 1.00 0.00 C ATOM 104 O4' DG A 4 -9.238 6.596 -11.829 1.00 0.00 O ATOM 105 C3' DG A 4 -8.478 4.564 -10.875 1.00 0.00 C ATOM 106 O3' DG A 4 -8.985 3.509 -11.701 1.00 0.00 O ATOM 107 C2' DG A 4 -7.287 5.224 -11.555 1.00 0.00 C ATOM 108 C1' DG A 4 -7.902 6.399 -12.311 1.00 0.00 C ATOM 109 N9 DG A 4 -7.175 7.668 -12.134 1.00 0.00 N ATOM 110 C8 DG A 4 -6.575 8.168 -11.013 1.00 0.00 C ATOM 111 N7 DG A 4 -6.007 9.327 -11.160 1.00 0.00 N ATOM 112 C5 DG A 4 -6.249 9.631 -12.498 1.00 0.00 C ATOM 113 C6 DG A 4 -5.873 10.774 -13.253 1.00 0.00 C ATOM 114 O6 DG A 4 -5.241 11.761 -12.879 1.00 0.00 O ATOM 115 N1 DG A 4 -6.315 10.686 -14.566 1.00 0.00 N ATOM 116 C2 DG A 4 -7.030 9.629 -15.092 1.00 0.00 C ATOM 117 N2 DG A 4 -7.369 9.725 -16.378 1.00 0.00 N ATOM 118 N3 DG A 4 -7.386 8.552 -14.385 1.00 0.00 N ATOM 119 C4 DG A 4 -6.963 8.620 -13.101 1.00 0.00 C ATOM 0 H5' DG A 4 -10.282 7.165 -9.426 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.714 5.710 -8.632 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.504 5.227 -10.855 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.223 4.132 -9.907 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.547 5.560 -10.828 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.780 4.535 -12.231 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.863 6.144 -13.370 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.573 7.638 -10.072 1.00 0.00 H new ATOM 0 H1 DG A 4 -6.094 11.462 -15.190 1.00 0.00 H new ATOM 0 H21 DG A 4 -7.898 8.975 -16.823 1.00 0.00 H new ATOM 0 H22 DG A 4 -7.099 10.548 -16.916 1.00 0.00 H new ATOM 131 P DC A 5 -9.731 2.242 -11.043 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.538 1.583 -12.095 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.376 2.686 -9.789 1.00 0.00 O ATOM 134 O5' DC A 5 -8.506 1.267 -10.663 1.00 0.00 O ATOM 135 C5' DC A 5 -7.545 0.892 -11.653 1.00 0.00 C ATOM 136 C4' DC A 5 -6.682 -0.284 -11.193 1.00 0.00 C ATOM 137 O4' DC A 5 -5.992 0.060 -9.971 1.00 0.00 O ATOM 138 C3' DC A 5 -7.472 -1.564 -10.911 1.00 0.00 C ATOM 139 O3' DC A 5 -6.702 -2.705 -11.311 1.00 0.00 O ATOM 140 C2' DC A 5 -7.620 -1.560 -9.400 1.00 0.00 C ATOM 141 C1' DC A 5 -6.305 -0.924 -8.981 1.00 0.00 C ATOM 142 N1 DC A 5 -6.330 -0.261 -7.662 1.00 0.00 N ATOM 143 C2 DC A 5 -6.189 -1.069 -6.545 1.00 0.00 C ATOM 144 O2 DC A 5 -6.059 -2.284 -6.679 1.00 0.00 O ATOM 145 N3 DC A 5 -6.179 -0.480 -5.317 1.00 0.00 N ATOM 146 C4 DC A 5 -6.302 0.849 -5.190 1.00 0.00 C ATOM 147 N4 DC A 5 -6.285 1.394 -3.971 1.00 0.00 N ATOM 148 C5 DC A 5 -6.450 1.687 -6.341 1.00 0.00 C ATOM 149 C6 DC A 5 -6.459 1.093 -7.552 1.00 0.00 C ATOM 0 H5' DC A 5 -6.905 1.745 -11.880 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.060 0.625 -12.576 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.998 -0.477 -12.020 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.424 -1.607 -11.441 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.482 -0.979 -9.072 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.740 -2.565 -8.995 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.568 -1.722 -8.898 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.378 2.404 -3.863 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.179 0.800 -3.148 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.551 2.758 -6.243 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.569 1.694 -8.442 1.00 0.00 H new ATOM 161 P DG A 6 -7.423 -4.089 -11.716 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.423 -4.957 -12.377 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.688 -3.763 -12.412 1.00 0.00 O ATOM 164 O5' DG A 6 -7.785 -4.740 -10.283 1.00 0.00 O ATOM 165 C5' DG A 6 -8.893 -5.639 -10.156 1.00 0.00 C ATOM 166 C4' DG A 6 -9.019 -6.215 -8.745 1.00 0.00 C ATOM 167 O4' DG A 6 -7.896 -7.018 -8.419 1.00 0.00 O ATOM 168 C3' DG A 6 -9.105 -5.177 -7.640 1.00 0.00 C ATOM 169 O3' DG A 6 -10.459 -4.750 -7.479 1.00 0.00 O ATOM 170 C2' DG A 6 -8.660 -5.958 -6.410 1.00 0.00 C ATOM 171 C1' DG A 6 -7.811 -7.092 -6.989 1.00 0.00 C ATOM 172 N9 DG A 6 -6.393 -7.007 -6.610 1.00 0.00 N ATOM 173 C8 DG A 6 -5.366 -6.382 -7.255 1.00 0.00 C ATOM 174 N7 DG A 6 -4.214 -6.458 -6.659 1.00 0.00 N ATOM 175 C5 DG A 6 -4.499 -7.200 -5.513 1.00 0.00 C ATOM 176 C6 DG A 6 -3.640 -7.614 -4.461 1.00 0.00 C ATOM 177 O6 DG A 6 -2.437 -7.400 -4.332 1.00 0.00 O ATOM 178 N1 DG A 6 -4.327 -8.343 -3.499 1.00 0.00 N ATOM 179 C2 DG A 6 -5.673 -8.639 -3.540 1.00 0.00 C ATOM 180 N2 DG A 6 -6.151 -9.351 -2.518 1.00 0.00 N ATOM 181 N3 DG A 6 -6.484 -8.253 -4.528 1.00 0.00 N ATOM 182 C4 DG A 6 -5.831 -7.540 -5.477 1.00 0.00 C ATOM 0 H5' DG A 6 -8.779 -6.455 -10.870 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.813 -5.116 -10.415 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.951 -6.779 -8.785 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.509 -4.284 -7.831 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.083 -5.335 -5.727 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.512 -6.342 -5.849 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.198 -8.030 -6.591 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.501 -5.862 -8.192 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.794 -8.686 -2.700 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.139 -9.603 -2.490 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.528 -9.644 -1.765 1.00 0.00 H new ATOM 194 P DG A 7 -10.794 -3.251 -6.989 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.243 -3.020 -7.182 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.810 -2.330 -7.600 1.00 0.00 O ATOM 197 O5' DG A 7 -10.500 -3.324 -5.404 1.00 0.00 O ATOM 198 C5' DG A 7 -11.317 -4.144 -4.570 1.00 0.00 C ATOM 199 C4' DG A 7 -10.974 -4.000 -3.084 1.00 0.00 C ATOM 200 O4' DG A 7 -9.724 -4.625 -2.753 1.00 0.00 O ATOM 201 C3' DG A 7 -10.876 -2.558 -2.572 1.00 0.00 C ATOM 202 O3' DG A 7 -12.055 -2.247 -1.820 1.00 0.00 O ATOM 203 C2' DG A 7 -9.656 -2.575 -1.639 1.00 0.00 C ATOM 204 C1' DG A 7 -9.408 -4.068 -1.486 1.00 0.00 C ATOM 205 N9 DG A 7 -8.035 -4.462 -1.082 1.00 0.00 N ATOM 206 C8 DG A 7 -7.633 -4.915 0.141 1.00 0.00 C ATOM 207 N7 DG A 7 -6.368 -5.164 0.255 1.00 0.00 N ATOM 208 C5 DG A 7 -5.862 -4.856 -1.001 1.00 0.00 C ATOM 209 C6 DG A 7 -4.525 -4.934 -1.475 1.00 0.00 C ATOM 210 O6 DG A 7 -3.520 -5.286 -0.860 1.00 0.00 O ATOM 211 N1 DG A 7 -4.427 -4.540 -2.798 1.00 0.00 N ATOM 212 C2 DG A 7 -5.485 -4.120 -3.579 1.00 0.00 C ATOM 213 N2 DG A 7 -5.187 -3.785 -4.833 1.00 0.00 N ATOM 214 N3 DG A 7 -6.755 -4.042 -3.139 1.00 0.00 N ATOM 215 C4 DG A 7 -6.870 -4.424 -1.841 1.00 0.00 C ATOM 0 H5' DG A 7 -11.201 -5.187 -4.866 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.364 -3.883 -4.724 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.820 -4.490 -2.601 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.783 -1.823 -3.371 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.800 -2.060 -2.075 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.864 -2.094 -0.683 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.022 -4.437 -0.665 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.324 -5.056 0.959 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.503 -4.562 -3.229 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.922 -3.466 -5.464 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.224 -3.847 -5.162 1.00 0.00 H new ATOM 227 P DG A 8 -12.343 -0.747 -1.314 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.774 -0.655 -0.949 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.771 0.192 -2.303 1.00 0.00 O ATOM 230 O5' DG A 8 -11.470 -0.655 0.038 1.00 0.00 O ATOM 231 C5' DG A 8 -11.767 -1.510 1.146 1.00 0.00 C ATOM 232 C4' DG A 8 -10.624 -1.555 2.154 1.00 0.00 C ATOM 233 O4' DG A 8 -9.442 -2.051 1.554 1.00 0.00 O ATOM 234 C3' DG A 8 -10.259 -0.201 2.748 1.00 0.00 C ATOM 235 O3' DG A 8 -10.958 -0.010 3.980 1.00 0.00 O ATOM 236 C2' DG A 8 -8.759 -0.305 3.022 1.00 0.00 C ATOM 237 C1' DG A 8 -8.353 -1.633 2.376 1.00 0.00 C ATOM 238 N9 DG A 8 -7.146 -1.552 1.533 1.00 0.00 N ATOM 239 C8 DG A 8 -7.029 -1.211 0.216 1.00 0.00 C ATOM 240 N7 DG A 8 -5.815 -1.219 -0.250 1.00 0.00 N ATOM 241 C5 DG A 8 -5.052 -1.601 0.854 1.00 0.00 C ATOM 242 C6 DG A 8 -3.647 -1.788 0.973 1.00 0.00 C ATOM 243 O6 DG A 8 -2.782 -1.647 0.110 1.00 0.00 O ATOM 244 N1 DG A 8 -3.292 -2.176 2.259 1.00 0.00 N ATOM 245 C2 DG A 8 -4.175 -2.363 3.302 1.00 0.00 C ATOM 246 N2 DG A 8 -3.646 -2.744 4.465 1.00 0.00 N ATOM 247 N3 DG A 8 -5.494 -2.186 3.195 1.00 0.00 N ATOM 248 C4 DG A 8 -5.861 -1.808 1.949 1.00 0.00 C ATOM 0 H5' DG A 8 -11.970 -2.517 0.783 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.673 -1.161 1.641 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.995 -2.204 2.947 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.514 0.630 2.091 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.215 0.533 2.586 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.548 -0.301 4.091 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.121 -2.330 3.181 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.882 -0.953 -0.394 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.302 -2.335 2.446 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.249 -2.898 5.273 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.639 -2.881 4.546 1.00 0.00 H new ATOM 260 P DG A 9 -10.863 1.398 4.752 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.949 1.451 5.757 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.745 2.470 3.739 1.00 0.00 O ATOM 263 O5' DG A 9 -9.457 1.282 5.531 1.00 0.00 O ATOM 264 C5' DG A 9 -9.216 0.207 6.446 1.00 0.00 C ATOM 265 C4' DG A 9 -7.742 0.122 6.849 1.00 0.00 C ATOM 266 O4' DG A 9 -6.908 0.141 5.670 1.00 0.00 O ATOM 267 C3' DG A 9 -7.259 1.293 7.723 1.00 0.00 C ATOM 268 O3' DG A 9 -6.339 0.811 8.714 1.00 0.00 O ATOM 269 C2' DG A 9 -6.490 2.152 6.740 1.00 0.00 C ATOM 270 C1' DG A 9 -5.849 1.056 5.930 1.00 0.00 C ATOM 271 N9 DG A 9 -5.226 1.468 4.663 1.00 0.00 N ATOM 272 C8 DG A 9 -5.790 1.946 3.515 1.00 0.00 C ATOM 273 N7 DG A 9 -4.943 2.232 2.568 1.00 0.00 N ATOM 274 C5 DG A 9 -3.709 1.914 3.138 1.00 0.00 C ATOM 275 C6 DG A 9 -2.396 2.010 2.598 1.00 0.00 C ATOM 276 O6 DG A 9 -2.054 2.406 1.486 1.00 0.00 O ATOM 277 N1 DG A 9 -1.438 1.584 3.514 1.00 0.00 N ATOM 278 C2 DG A 9 -1.708 1.123 4.786 1.00 0.00 C ATOM 279 N2 DG A 9 -0.659 0.753 5.521 1.00 0.00 N ATOM 280 N3 DG A 9 -2.936 1.036 5.292 1.00 0.00 N ATOM 281 C4 DG A 9 -3.881 1.447 4.418 1.00 0.00 C ATOM 0 H5' DG A 9 -9.523 -0.734 5.990 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.829 0.344 7.337 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.662 -0.803 7.420 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.071 1.809 8.235 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.138 2.794 6.143 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.760 2.800 7.226 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.013 0.647 6.497 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.856 2.077 3.401 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.461 1.615 3.222 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.798 0.404 6.469 1.00 0.00 H new ATOM 0 H22 DG A 9 0.283 0.819 5.135 1.00 0.00 H new ATOM 293 P DC A 10 -6.850 0.176 10.100 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.100 0.862 10.493 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.703 0.136 11.037 1.00 0.00 O ATOM 296 O5' DC A 10 -7.205 -1.335 9.679 1.00 0.00 O ATOM 297 C5' DC A 10 -6.160 -2.277 9.418 1.00 0.00 C ATOM 298 C4' DC A 10 -6.713 -3.688 9.259 1.00 0.00 C ATOM 299 O4' DC A 10 -7.301 -4.107 10.491 1.00 0.00 O ATOM 300 C3' DC A 10 -7.782 -3.801 8.185 1.00 0.00 C ATOM 301 O3' DC A 10 -7.730 -5.101 7.592 1.00 0.00 O ATOM 302 C2' DC A 10 -9.082 -3.636 8.955 1.00 0.00 C ATOM 303 C1' DC A 10 -8.730 -4.133 10.357 1.00 0.00 C ATOM 304 N1 DC A 10 -9.290 -3.314 11.448 1.00 0.00 N ATOM 305 C2 DC A 10 -10.562 -3.633 11.898 1.00 0.00 C ATOM 306 O2 DC A 10 -11.183 -4.559 11.383 1.00 0.00 O ATOM 307 N3 DC A 10 -11.090 -2.898 12.917 1.00 0.00 N ATOM 308 C4 DC A 10 -10.400 -1.894 13.472 1.00 0.00 C ATOM 309 N4 DC A 10 -10.946 -1.198 14.469 1.00 0.00 N ATOM 310 C5 DC A 10 -9.086 -1.560 13.010 1.00 0.00 C ATOM 311 C6 DC A 10 -8.574 -2.292 12.001 1.00 0.00 C ATOM 0 H5' DC A 10 -5.438 -2.257 10.234 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.626 -1.989 8.512 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.870 -4.314 8.967 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.666 -3.072 7.383 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.412 -2.597 8.968 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.888 -4.221 8.512 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.158 -5.131 10.450 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.429 -0.431 14.899 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.881 -1.432 14.802 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.526 -0.751 13.454 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.586 -2.068 11.626 1.00 0.00 H new ATOM 323 P DG A 11 -6.903 -5.342 6.233 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.775 -4.045 5.532 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.489 -6.506 5.533 1.00 0.00 O ATOM 326 O5' DG A 11 -5.447 -5.762 6.778 1.00 0.00 O ATOM 327 C5' DG A 11 -5.297 -6.921 7.600 1.00 0.00 C ATOM 328 C4' DG A 11 -3.833 -7.313 7.779 1.00 0.00 C ATOM 329 O4' DG A 11 -3.268 -7.782 6.549 1.00 0.00 O ATOM 330 C3' DG A 11 -2.930 -6.184 8.247 1.00 0.00 C ATOM 331 O3' DG A 11 -2.920 -6.131 9.680 1.00 0.00 O ATOM 332 C2' DG A 11 -1.550 -6.593 7.737 1.00 0.00 C ATOM 333 C1' DG A 11 -1.848 -7.672 6.687 1.00 0.00 C ATOM 334 N9 DG A 11 -1.272 -7.378 5.361 1.00 0.00 N ATOM 335 C8 DG A 11 0.020 -7.521 4.949 1.00 0.00 C ATOM 336 N7 DG A 11 0.251 -7.172 3.721 1.00 0.00 N ATOM 337 C5 DG A 11 -0.999 -6.756 3.267 1.00 0.00 C ATOM 338 C6 DG A 11 -1.383 -6.259 1.993 1.00 0.00 C ATOM 339 O6 DG A 11 -0.681 -6.088 1.000 1.00 0.00 O ATOM 340 N1 DG A 11 -2.736 -5.953 1.952 1.00 0.00 N ATOM 341 C2 DG A 11 -3.615 -6.106 3.004 1.00 0.00 C ATOM 342 N2 DG A 11 -4.879 -5.753 2.769 1.00 0.00 N ATOM 343 N3 DG A 11 -3.259 -6.575 4.206 1.00 0.00 N ATOM 344 C4 DG A 11 -1.941 -6.879 4.266 1.00 0.00 C ATOM 0 H5' DG A 11 -5.843 -7.753 7.155 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.743 -6.732 8.576 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.867 -8.086 8.547 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.248 -5.205 7.888 1.00 0.00 H new ATOM 0 H2' DG A 11 -1.019 -5.747 7.301 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.926 -6.981 8.542 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.391 -8.598 7.036 1.00 0.00 H new ATOM 0 H8 DG A 11 0.796 -7.898 5.599 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.109 -5.587 1.076 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.579 -5.842 3.506 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.146 -5.394 1.852 1.00 0.00 H new ATOM 356 P DG A 12 -2.731 -4.727 10.442 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.788 -4.978 11.901 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.647 -3.745 9.824 1.00 0.00 O ATOM 359 O5' DG A 12 -1.221 -4.321 10.060 1.00 0.00 O ATOM 360 C5' DG A 12 -0.123 -5.113 10.522 1.00 0.00 C ATOM 361 C4' DG A 12 1.145 -4.847 9.712 1.00 0.00 C ATOM 362 O4' DG A 12 0.919 -5.097 8.331 1.00 0.00 O ATOM 363 C3' DG A 12 1.648 -3.414 9.795 1.00 0.00 C ATOM 364 O3' DG A 12 2.586 -3.300 10.870 1.00 0.00 O ATOM 365 C2' DG A 12 2.357 -3.182 8.466 1.00 0.00 C ATOM 366 C1' DG A 12 1.776 -4.260 7.545 1.00 0.00 C ATOM 367 N9 DG A 12 0.978 -3.729 6.425 1.00 0.00 N ATOM 368 C8 DG A 12 -0.356 -3.435 6.381 1.00 0.00 C ATOM 369 N7 DG A 12 -0.781 -2.970 5.244 1.00 0.00 N ATOM 370 C5 DG A 12 0.369 -2.952 4.458 1.00 0.00 C ATOM 371 C6 DG A 12 0.543 -2.542 3.108 1.00 0.00 C ATOM 372 O6 DG A 12 -0.300 -2.100 2.331 1.00 0.00 O ATOM 373 N1 DG A 12 1.862 -2.685 2.698 1.00 0.00 N ATOM 374 C2 DG A 12 2.889 -3.164 3.485 1.00 0.00 C ATOM 375 N2 DG A 12 4.091 -3.234 2.912 1.00 0.00 N ATOM 376 N3 DG A 12 2.730 -3.548 4.756 1.00 0.00 N ATOM 377 C4 DG A 12 1.451 -3.416 5.174 1.00 0.00 C ATOM 0 H5' DG A 12 -0.383 -6.170 10.455 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.065 -4.897 11.574 1.00 0.00 H new ATOM 0 H4' DG A 12 1.887 -5.515 10.148 1.00 0.00 H new ATOM 0 H3' DG A 12 0.848 -2.695 9.973 1.00 0.00 H new ATOM 0 H2' DG A 12 2.165 -2.181 8.080 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.438 -3.283 8.567 1.00 0.00 H new ATOM 0 H1' DG A 12 2.622 -4.793 7.111 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.009 -3.579 7.229 1.00 0.00 H new ATOM 0 H1 DG A 12 2.089 -2.415 1.741 1.00 0.00 H new ATOM 0 H21 DG A 12 4.890 -3.580 3.443 1.00 0.00 H new ATOM 0 H22 DG A 12 4.211 -2.941 1.942 1.00 0.00 H new ATOM 389 P DG A 13 2.993 -1.852 11.442 1.00 0.00 P ATOM 390 OP1 DG A 13 3.712 -2.046 12.722 1.00 0.00 O ATOM 391 OP2 DG A 13 1.800 -0.978 11.390 1.00 0.00 O ATOM 392 O5' DG A 13 4.051 -1.331 10.344 1.00 0.00 O ATOM 393 C5' DG A 13 5.257 -2.060 10.104 1.00 0.00 C ATOM 394 C4' DG A 13 5.977 -1.580 8.845 1.00 0.00 C ATOM 395 O4' DG A 13 5.117 -1.628 7.726 1.00 0.00 O ATOM 396 C3' DG A 13 6.473 -0.143 8.917 1.00 0.00 C ATOM 397 O3' DG A 13 7.822 -0.131 9.390 1.00 0.00 O ATOM 398 C2' DG A 13 6.432 0.347 7.470 1.00 0.00 C ATOM 399 C1' DG A 13 5.554 -0.680 6.749 1.00 0.00 C ATOM 400 N9 DG A 13 4.358 -0.108 6.104 1.00 0.00 N ATOM 401 C8 DG A 13 3.118 0.118 6.628 1.00 0.00 C ATOM 402 N7 DG A 13 2.259 0.646 5.807 1.00 0.00 N ATOM 403 C5 DG A 13 2.991 0.785 4.628 1.00 0.00 C ATOM 404 C6 DG A 13 2.596 1.305 3.365 1.00 0.00 C ATOM 405 O6 DG A 13 1.502 1.759 3.035 1.00 0.00 O ATOM 406 N1 DG A 13 3.639 1.261 2.448 1.00 0.00 N ATOM 407 C2 DG A 13 4.904 0.779 2.709 1.00 0.00 C ATOM 408 N2 DG A 13 5.772 0.814 1.699 1.00 0.00 N ATOM 409 N3 DG A 13 5.278 0.292 3.896 1.00 0.00 N ATOM 410 C4 DG A 13 4.277 0.325 4.803 1.00 0.00 C ATOM 0 H5' DG A 13 5.026 -3.121 10.007 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.920 -1.956 10.963 1.00 0.00 H new ATOM 0 H4' DG A 13 6.829 -2.253 8.756 1.00 0.00 H new ATOM 0 H3' DG A 13 5.877 0.478 9.586 1.00 0.00 H new ATOM 0 H2' DG A 13 6.010 1.350 7.401 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.431 0.391 7.036 1.00 0.00 H new ATOM 0 H1' DG A 13 6.157 -1.119 5.954 1.00 0.00 H new ATOM 0 H8 DG A 13 2.868 -0.124 7.650 1.00 0.00 H new ATOM 0 H1 DG A 13 3.454 1.613 1.509 1.00 0.00 H new ATOM 0 H21 DG A 13 6.723 0.471 1.832 1.00 0.00 H new ATOM 0 H22 DG A 13 5.485 1.184 0.793 1.00 0.00 H new ATOM 422 P DG A 14 8.389 1.143 10.193 1.00 0.00 P ATOM 423 OP1 DG A 14 9.680 0.767 10.809 1.00 0.00 O ATOM 424 OP2 DG A 14 7.297 1.678 11.038 1.00 0.00 O ATOM 425 O5' DG A 14 8.681 2.200 9.013 1.00 0.00 O ATOM 426 C5' DG A 14 9.571 1.867 7.941 1.00 0.00 C ATOM 427 C4' DG A 14 9.317 2.729 6.707 1.00 0.00 C ATOM 428 O4' DG A 14 7.906 2.705 6.433 1.00 0.00 O ATOM 429 C3' DG A 14 9.736 4.187 6.881 1.00 0.00 C ATOM 430 O3' DG A 14 10.488 4.590 5.733 1.00 0.00 O ATOM 431 C2' DG A 14 8.446 4.995 6.947 1.00 0.00 C ATOM 432 C1' DG A 14 7.337 3.998 6.650 1.00 0.00 C ATOM 433 N9 DG A 14 6.354 3.870 7.736 1.00 0.00 N ATOM 434 C8 DG A 14 6.560 3.610 9.060 1.00 0.00 C ATOM 435 N7 DG A 14 5.484 3.551 9.785 1.00 0.00 N ATOM 436 C5 DG A 14 4.467 3.792 8.864 1.00 0.00 C ATOM 437 C6 DG A 14 3.060 3.854 9.056 1.00 0.00 C ATOM 438 O6 DG A 14 2.426 3.711 10.099 1.00 0.00 O ATOM 439 N1 DG A 14 2.396 4.118 7.865 1.00 0.00 N ATOM 440 C2 DG A 14 3.006 4.300 6.641 1.00 0.00 C ATOM 441 N2 DG A 14 2.198 4.537 5.608 1.00 0.00 N ATOM 442 N3 DG A 14 4.327 4.246 6.458 1.00 0.00 N ATOM 443 C4 DG A 14 4.993 3.988 7.607 1.00 0.00 C ATOM 0 H5' DG A 14 9.450 0.815 7.681 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.602 1.998 8.270 1.00 0.00 H new ATOM 0 H4' DG A 14 9.916 2.315 5.896 1.00 0.00 H new ATOM 0 H3' DG A 14 10.344 4.333 7.774 1.00 0.00 H new ATOM 0 H2' DG A 14 8.315 5.449 7.929 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.452 5.806 6.219 1.00 0.00 H new ATOM 0 H1' DG A 14 6.820 4.377 5.768 1.00 0.00 H new ATOM 0 H8 DG A 14 7.546 3.464 9.475 1.00 0.00 H new ATOM 0 H1 DG A 14 1.379 4.182 7.898 1.00 0.00 H new ATOM 0 H21 DG A 14 2.589 4.680 4.677 1.00 0.00 H new ATOM 0 H22 DG A 14 1.188 4.575 5.749 1.00 0.00 H new ATOM 455 P DC A 15 12.084 4.778 5.815 1.00 0.00 P ATOM 456 OP1 DC A 15 12.418 5.369 7.130 1.00 0.00 O ATOM 457 OP2 DC A 15 12.536 5.440 4.572 1.00 0.00 O ATOM 458 O5' DC A 15 12.615 3.259 5.795 1.00 0.00 O ATOM 459 C5' DC A 15 13.043 2.663 4.569 1.00 0.00 C ATOM 460 C4' DC A 15 13.696 1.304 4.803 1.00 0.00 C ATOM 461 O4' DC A 15 14.842 1.468 5.642 1.00 0.00 O ATOM 462 C3' DC A 15 12.784 0.293 5.483 1.00 0.00 C ATOM 463 O3' DC A 15 13.130 -1.028 5.058 1.00 0.00 O ATOM 464 C2' DC A 15 13.120 0.455 6.953 1.00 0.00 C ATOM 465 C1' DC A 15 14.584 0.878 6.923 1.00 0.00 C ATOM 466 N1 DC A 15 14.947 1.866 7.956 1.00 0.00 N ATOM 467 C2 DC A 15 15.340 1.378 9.191 1.00 0.00 C ATOM 468 O2 DC A 15 15.365 0.165 9.392 1.00 0.00 O ATOM 469 N3 DC A 15 15.689 2.269 10.157 1.00 0.00 N ATOM 470 C4 DC A 15 15.654 3.586 9.923 1.00 0.00 C ATOM 471 N4 DC A 15 16.004 4.431 10.894 1.00 0.00 N ATOM 472 C5 DC A 15 15.249 4.097 8.649 1.00 0.00 C ATOM 473 C6 DC A 15 14.905 3.206 7.699 1.00 0.00 C ATOM 0 H5' DC A 15 13.749 3.325 4.069 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.188 2.547 3.902 1.00 0.00 H new ATOM 0 H4' DC A 15 13.949 0.921 3.814 1.00 0.00 H new ATOM 0 H3' DC A 15 11.728 0.445 5.259 1.00 0.00 H new ATOM 0 H2' DC A 15 12.492 1.207 7.430 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.979 -0.475 7.504 1.00 0.00 H new ATOM 0 H1' DC A 15 15.178 -0.015 7.116 1.00 0.00 H new ATOM 0 H41 DC A 15 15.981 5.437 10.727 1.00 0.00 H new ATOM 0 H42 DC A 15 16.294 4.071 11.803 1.00 0.00 H new ATOM 0 H5 DC A 15 15.220 5.159 8.456 1.00 0.00 H new ATOM 0 H6 DC A 15 14.593 3.555 6.726 1.00 0.00 H new ATOM 485 P DG A 16 12.479 -1.658 3.729 1.00 0.00 P ATOM 486 OP1 DG A 16 12.818 -3.098 3.689 1.00 0.00 O ATOM 487 OP2 DG A 16 12.827 -0.785 2.585 1.00 0.00 O ATOM 488 O5' DG A 16 10.899 -1.520 4.011 1.00 0.00 O ATOM 489 C5' DG A 16 10.317 -2.078 5.195 1.00 0.00 C ATOM 490 C4' DG A 16 8.801 -1.914 5.211 1.00 0.00 C ATOM 491 O4' DG A 16 8.495 -0.515 5.148 1.00 0.00 O ATOM 492 C3' DG A 16 8.101 -2.604 4.047 1.00 0.00 C ATOM 493 O3' DG A 16 6.937 -3.284 4.531 1.00 0.00 O ATOM 494 C2' DG A 16 7.678 -1.482 3.103 1.00 0.00 C ATOM 495 C1' DG A 16 7.928 -0.190 3.878 1.00 0.00 C ATOM 496 N9 DG A 16 8.857 0.735 3.204 1.00 0.00 N ATOM 497 C8 DG A 16 10.051 0.465 2.599 1.00 0.00 C ATOM 498 N7 DG A 16 10.647 1.491 2.072 1.00 0.00 N ATOM 499 C5 DG A 16 9.777 2.543 2.349 1.00 0.00 C ATOM 500 C6 DG A 16 9.883 3.923 2.024 1.00 0.00 C ATOM 501 O6 DG A 16 10.784 4.496 1.413 1.00 0.00 O ATOM 502 N1 DG A 16 8.792 4.642 2.492 1.00 0.00 N ATOM 503 C2 DG A 16 7.727 4.105 3.186 1.00 0.00 C ATOM 504 N2 DG A 16 6.774 4.960 3.560 1.00 0.00 N ATOM 505 N3 DG A 16 7.622 2.808 3.491 1.00 0.00 N ATOM 506 C4 DG A 16 8.678 2.089 3.044 1.00 0.00 C ATOM 0 H5' DG A 16 10.744 -1.594 6.073 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.569 -3.136 5.260 1.00 0.00 H new ATOM 0 H4' DG A 16 8.441 -2.380 6.128 1.00 0.00 H new ATOM 0 H3' DG A 16 8.745 -3.332 3.554 1.00 0.00 H new ATOM 0 H2' DG A 16 8.257 -1.505 2.180 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.629 -1.577 2.824 1.00 0.00 H new ATOM 0 H1' DG A 16 6.962 0.309 3.962 1.00 0.00 H new ATOM 0 H8 DG A 16 10.469 -0.530 2.562 1.00 0.00 H new ATOM 0 H1 DG A 16 8.776 5.645 2.309 1.00 0.00 H new ATOM 0 H21 DG A 16 5.961 4.624 4.076 1.00 0.00 H new ATOM 0 H22 DG A 16 6.858 5.950 3.330 1.00 0.00 H new ATOM 518 P DG A 17 6.964 -4.874 4.793 1.00 0.00 P ATOM 519 OP1 DG A 17 5.672 -5.266 5.396 1.00 0.00 O ATOM 520 OP2 DG A 17 8.234 -5.211 5.480 1.00 0.00 O ATOM 521 O5' DG A 17 7.017 -5.471 3.296 1.00 0.00 O ATOM 522 C5' DG A 17 7.716 -6.688 3.028 1.00 0.00 C ATOM 523 C4' DG A 17 8.157 -6.775 1.568 1.00 0.00 C ATOM 524 O4' DG A 17 7.108 -7.347 0.758 1.00 0.00 O ATOM 525 C3' DG A 17 8.536 -5.434 0.943 1.00 0.00 C ATOM 526 O3' DG A 17 9.965 -5.308 0.931 1.00 0.00 O ATOM 527 C2' DG A 17 8.013 -5.492 -0.495 1.00 0.00 C ATOM 528 C1' DG A 17 7.216 -6.798 -0.555 1.00 0.00 C ATOM 529 N9 DG A 17 5.853 -6.626 -1.078 1.00 0.00 N ATOM 530 C8 DG A 17 5.457 -6.457 -2.369 1.00 0.00 C ATOM 531 N7 DG A 17 4.178 -6.321 -2.543 1.00 0.00 N ATOM 532 C5 DG A 17 3.669 -6.407 -1.248 1.00 0.00 C ATOM 533 C6 DG A 17 2.327 -6.332 -0.789 1.00 0.00 C ATOM 534 O6 DG A 17 1.303 -6.170 -1.452 1.00 0.00 O ATOM 535 N1 DG A 17 2.250 -6.465 0.590 1.00 0.00 N ATOM 536 C2 DG A 17 3.328 -6.649 1.429 1.00 0.00 C ATOM 537 N2 DG A 17 3.054 -6.747 2.729 1.00 0.00 N ATOM 538 N3 DG A 17 4.595 -6.724 1.002 1.00 0.00 N ATOM 539 C4 DG A 17 4.690 -6.594 -0.342 1.00 0.00 C ATOM 0 H5' DG A 17 7.074 -7.536 3.266 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.589 -6.757 3.677 1.00 0.00 H new ATOM 0 H4' DG A 17 9.049 -7.401 1.585 1.00 0.00 H new ATOM 0 H3' DG A 17 8.121 -4.589 1.492 1.00 0.00 H new ATOM 0 H2' DG A 17 7.385 -4.632 -0.725 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.830 -5.491 -1.216 1.00 0.00 H new ATOM 0 H1' DG A 17 7.759 -7.456 -1.234 1.00 0.00 H new ATOM 0 H8 DG A 17 6.158 -6.437 -3.191 1.00 0.00 H new ATOM 0 H1 DG A 17 1.324 -6.423 1.016 1.00 0.00 H new ATOM 0 H21 DG A 17 3.809 -6.884 3.401 1.00 0.00 H new ATOM 0 H22 DG A 17 2.089 -6.685 3.053 1.00 0.00 H new ATOM 551 P DG A 18 10.664 -3.918 1.346 1.00 0.00 P ATOM 552 OP1 DG A 18 12.129 -4.073 1.195 1.00 0.00 O ATOM 553 OP2 DG A 18 10.098 -3.493 2.647 1.00 0.00 O ATOM 554 O5' DG A 18 10.139 -2.914 0.198 1.00 0.00 O ATOM 555 C5' DG A 18 10.583 -3.076 -1.152 1.00 0.00 C ATOM 556 C4' DG A 18 9.637 -2.413 -2.152 1.00 0.00 C ATOM 557 O4' DG A 18 8.354 -3.007 -2.067 1.00 0.00 O ATOM 558 C3' DG A 18 9.433 -0.934 -1.921 1.00 0.00 C ATOM 559 O3' DG A 18 10.436 -0.194 -2.616 1.00 0.00 O ATOM 560 C2' DG A 18 8.066 -0.678 -2.548 1.00 0.00 C ATOM 561 C1' DG A 18 7.394 -2.052 -2.549 1.00 0.00 C ATOM 562 N9 DG A 18 6.197 -2.120 -1.689 1.00 0.00 N ATOM 563 C8 DG A 18 6.103 -2.408 -0.356 1.00 0.00 C ATOM 564 N7 DG A 18 4.900 -2.358 0.135 1.00 0.00 N ATOM 565 C5 DG A 18 4.118 -2.008 -0.966 1.00 0.00 C ATOM 566 C6 DG A 18 2.714 -1.802 -1.060 1.00 0.00 C ATOM 567 O6 DG A 18 1.868 -1.886 -0.171 1.00 0.00 O ATOM 568 N1 DG A 18 2.335 -1.464 -2.354 1.00 0.00 N ATOM 569 C2 DG A 18 3.198 -1.340 -3.424 1.00 0.00 C ATOM 570 N2 DG A 18 2.649 -1.014 -4.594 1.00 0.00 N ATOM 571 N3 DG A 18 4.517 -1.531 -3.337 1.00 0.00 N ATOM 572 C4 DG A 18 4.906 -1.862 -2.085 1.00 0.00 C ATOM 0 H5' DG A 18 10.665 -4.138 -1.381 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.580 -2.649 -1.259 1.00 0.00 H new ATOM 0 H4' DG A 18 10.110 -2.554 -3.124 1.00 0.00 H new ATOM 0 H3' DG A 18 9.491 -0.642 -0.872 1.00 0.00 H new ATOM 0 H2' DG A 18 7.492 0.046 -1.970 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.159 -0.279 -3.558 1.00 0.00 H new ATOM 0 H1' DG A 18 7.066 -2.260 -3.567 1.00 0.00 H new ATOM 0 H8 DG A 18 6.965 -2.659 0.245 1.00 0.00 H new ATOM 0 H1 DG A 18 1.344 -1.295 -2.526 1.00 0.00 H new ATOM 0 H21 DG A 18 3.236 -0.908 -5.421 1.00 0.00 H new ATOM 0 H22 DG A 18 1.641 -0.871 -4.662 1.00 0.00 H new ATOM 584 P DG A 19 10.717 1.340 -2.231 1.00 0.00 P ATOM 585 OP1 DG A 19 11.981 1.758 -2.879 1.00 0.00 O ATOM 586 OP2 DG A 19 10.561 1.478 -0.765 1.00 0.00 O ATOM 587 O5' DG A 19 9.496 2.111 -2.951 1.00 0.00 O ATOM 588 C5' DG A 19 9.401 2.135 -4.379 1.00 0.00 C ATOM 589 C4' DG A 19 8.071 2.713 -4.861 1.00 0.00 C ATOM 590 O4' DG A 19 6.991 1.943 -4.352 1.00 0.00 O ATOM 591 C3' DG A 19 7.814 4.139 -4.424 1.00 0.00 C ATOM 592 O3' DG A 19 8.378 5.053 -5.369 1.00 0.00 O ATOM 593 C2' DG A 19 6.295 4.234 -4.456 1.00 0.00 C ATOM 594 C1' DG A 19 5.828 2.787 -4.295 1.00 0.00 C ATOM 595 N9 DG A 19 5.137 2.533 -3.016 1.00 0.00 N ATOM 596 C8 DG A 19 5.658 2.167 -1.809 1.00 0.00 C ATOM 597 N7 DG A 19 4.793 2.048 -0.846 1.00 0.00 N ATOM 598 C5 DG A 19 3.583 2.362 -1.464 1.00 0.00 C ATOM 599 C6 DG A 19 2.268 2.406 -0.925 1.00 0.00 C ATOM 600 O6 DG A 19 1.908 2.176 0.228 1.00 0.00 O ATOM 601 N1 DG A 19 1.335 2.764 -1.889 1.00 0.00 N ATOM 602 C2 DG A 19 1.627 3.047 -3.208 1.00 0.00 C ATOM 603 N2 DG A 19 0.596 3.367 -3.987 1.00 0.00 N ATOM 604 N3 DG A 19 2.861 3.008 -3.717 1.00 0.00 N ATOM 605 C4 DG A 19 3.786 2.659 -2.792 1.00 0.00 C ATOM 0 H5' DG A 19 9.516 1.123 -4.766 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.221 2.727 -4.786 1.00 0.00 H new ATOM 0 H4' DG A 19 8.138 2.688 -5.949 1.00 0.00 H new ATOM 0 H3' DG A 19 8.248 4.380 -3.454 1.00 0.00 H new ATOM 0 H2' DG A 19 5.918 4.866 -3.652 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.942 4.665 -5.393 1.00 0.00 H new ATOM 0 H1' DG A 19 5.114 2.580 -5.092 1.00 0.00 H new ATOM 0 H8 DG A 19 6.713 1.989 -1.664 1.00 0.00 H new ATOM 0 H1 DG A 19 0.358 2.822 -1.600 1.00 0.00 H new ATOM 0 H21 DG A 19 0.749 3.586 -4.971 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.347 3.393 -3.600 1.00 0.00 H new ATOM 617 P DT A 20 8.878 6.503 -4.882 1.00 0.00 P ATOM 618 OP1 DT A 20 9.449 7.220 -6.045 1.00 0.00 O ATOM 619 OP2 DT A 20 9.686 6.320 -3.657 1.00 0.00 O ATOM 620 O5' DT A 20 7.500 7.225 -4.471 1.00 0.00 O ATOM 621 C5' DT A 20 6.511 7.495 -5.463 1.00 0.00 C ATOM 622 C4' DT A 20 5.166 7.877 -4.843 1.00 0.00 C ATOM 623 O4' DT A 20 4.802 6.919 -3.827 1.00 0.00 O ATOM 624 C3' DT A 20 5.154 9.235 -4.158 1.00 0.00 C ATOM 625 O3' DT A 20 4.892 10.305 -5.075 1.00 0.00 O ATOM 626 C2' DT A 20 4.019 9.054 -3.163 1.00 0.00 C ATOM 627 C1' DT A 20 4.282 7.634 -2.695 1.00 0.00 C ATOM 628 N1 DT A 20 5.278 7.551 -1.620 1.00 0.00 N ATOM 629 C2 DT A 20 4.830 7.718 -0.325 1.00 0.00 C ATOM 630 O2 DT A 20 3.641 7.883 -0.062 1.00 0.00 O ATOM 631 N3 DT A 20 5.799 7.685 0.658 1.00 0.00 N ATOM 632 C4 DT A 20 7.156 7.499 0.459 1.00 0.00 C ATOM 633 O4 DT A 20 7.934 7.496 1.409 1.00 0.00 O ATOM 634 C5 DT A 20 7.528 7.329 -0.928 1.00 0.00 C ATOM 635 C7 DT A 20 8.994 7.127 -1.296 1.00 0.00 C ATOM 636 C6 DT A 20 6.600 7.358 -1.904 1.00 0.00 C ATOM 0 H5' DT A 20 6.382 6.616 -6.095 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.856 8.304 -6.108 1.00 0.00 H new ATOM 0 H4' DT A 20 4.472 7.900 -5.683 1.00 0.00 H new ATOM 0 H3' DT A 20 6.108 9.510 -3.707 1.00 0.00 H new ATOM 0 H2' DT A 20 4.065 9.774 -2.346 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.039 9.162 -3.628 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.892 11.157 -4.592 1.00 0.00 H new ATOM 0 H1' DT A 20 3.350 7.225 -2.304 1.00 0.00 H new ATOM 0 H3 DT A 20 5.486 7.809 1.621 1.00 0.00 H new ATOM 0 H71 DT A 20 9.625 7.640 -0.571 1.00 0.00 H new ATOM 0 H72 DT A 20 9.227 6.062 -1.291 1.00 0.00 H new ATOM 0 H73 DT A 20 9.179 7.534 -2.290 1.00 0.00 H new ATOM 0 H6 DT A 20 6.907 7.226 -2.931 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.431 5.660 0.923 1.00 0.00 C HETATM 652 C2 BER A 101 -1.755 5.864 0.546 1.00 0.00 C HETATM 653 N1 BER A 101 -0.134 5.508 2.221 1.00 0.00 N HETATM 654 C3 BER A 101 0.565 5.626 -0.045 1.00 0.00 C HETATM 655 C4 BER A 101 -2.752 5.927 1.509 1.00 0.00 C HETATM 656 C5 BER A 101 -2.106 6.035 -0.786 1.00 0.00 C HETATM 657 C6 BER A 101 1.193 5.298 2.618 1.00 0.00 C HETATM 658 C7 BER A 101 -1.211 5.179 3.185 1.00 0.00 C HETATM 659 C8 BER A 101 1.888 5.416 0.324 1.00 0.00 C HETATM 660 C9 BER A 101 -4.053 6.162 1.082 1.00 0.00 C HETATM 661 C10 BER A 101 -2.417 6.063 2.852 1.00 0.00 C HETATM 662 C11 BER A 101 -3.371 6.256 -1.132 1.00 0.00 C HETATM 663 C12 BER A 101 2.203 5.236 1.664 1.00 0.00 C HETATM 664 C13 BER A 101 2.860 5.257 -0.657 1.00 0.00 C HETATM 665 C14 BER A 101 -4.332 6.309 -0.212 1.00 0.00 C HETATM 666 O1 BER A 101 -3.890 6.403 -2.380 1.00 0.00 O HETATM 667 C15 BER A 101 3.507 4.925 2.033 1.00 0.00 C HETATM 668 C16 BER A 101 4.165 4.947 -0.294 1.00 0.00 C HETATM 669 O2 BER A 101 -5.542 6.533 -0.792 1.00 0.00 O HETATM 670 C17 BER A 101 -5.237 6.848 -2.159 1.00 0.00 C HETATM 671 C18 BER A 101 4.481 4.793 1.050 1.00 0.00 C HETATM 672 O3 BER A 101 3.825 4.732 3.342 1.00 0.00 O HETATM 673 O4 BER A 101 5.758 4.591 1.474 1.00 0.00 O HETATM 674 C19 BER A 101 4.112 5.988 3.961 1.00 0.00 C HETATM 675 C20 BER A 101 6.630 4.511 0.343 1.00 0.00 C HETATM 0 H203 BER A 101 6.324 3.681 -0.294 1.00 0.00 H new HETATM 0 H202 BER A 101 6.579 5.441 -0.223 1.00 0.00 H new HETATM 0 H201 BER A 101 7.653 4.349 0.683 1.00 0.00 H new HETATM 0 H193 BER A 101 4.952 6.461 3.452 1.00 0.00 H new HETATM 0 H192 BER A 101 3.237 6.635 3.895 1.00 0.00 H new HETATM 0 H191 BER A 101 4.366 5.828 5.009 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.328 7.919 -2.342 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.929 6.349 -2.838 1.00 0.00 H new HETATM 0 H161 BER A 101 4.934 4.826 -1.057 1.00 0.00 H new HETATM 0 H131 BER A 101 2.599 5.375 -1.709 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.186 7.105 3.074 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.266 5.784 3.477 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.856 6.227 1.816 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.478 4.125 3.115 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.877 5.356 4.207 1.00 0.00 H new HETATM 0 H61 BER A 101 1.434 5.183 3.675 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.337 5.988 -1.557 1.00 0.00 H new HETATM 0 H31 BER A 101 0.308 5.764 -1.095 1.00 0.00 H new