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 10:sc= 0.363 USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.65 (180deg=-0.65) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 21:sc= 0.25 USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.637 (180deg=-0.637) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.611 7.780 6.819 1.00 0.00 O ATOM 2 C5' DG A 1 6.162 7.170 5.651 1.00 0.00 C ATOM 3 C4' DG A 1 6.509 5.721 5.869 1.00 0.00 C ATOM 4 O4' DG A 1 7.626 5.498 6.745 1.00 0.00 O ATOM 5 C3' DG A 1 5.392 4.805 6.414 1.00 0.00 C ATOM 6 O3' DG A 1 4.207 4.789 5.612 1.00 0.00 O ATOM 7 C2' DG A 1 6.221 3.556 6.443 1.00 0.00 C ATOM 8 C1' DG A 1 7.325 4.201 7.268 1.00 0.00 C ATOM 9 N9 DG A 1 6.945 4.266 8.674 1.00 0.00 N ATOM 10 C8 DG A 1 6.804 3.157 9.394 1.00 0.00 C ATOM 11 N7 DG A 1 6.388 3.339 10.619 1.00 0.00 N ATOM 12 C5 DG A 1 6.241 4.721 10.695 1.00 0.00 C ATOM 13 C6 DG A 1 5.813 5.541 11.773 1.00 0.00 C ATOM 14 O6 DG A 1 5.473 5.191 12.902 1.00 0.00 O ATOM 15 N1 DG A 1 5.806 6.880 11.428 1.00 0.00 N ATOM 16 C2 DG A 1 6.164 7.375 10.201 1.00 0.00 C ATOM 17 N2 DG A 1 6.099 8.699 10.033 1.00 0.00 N ATOM 18 N3 DG A 1 6.569 6.621 9.177 1.00 0.00 N ATOM 19 C4 DG A 1 6.582 5.313 9.492 1.00 0.00 C ATOM 0 H5' DG A 1 7.057 7.714 5.349 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.448 7.250 4.831 1.00 0.00 H new ATOM 0 H4' DG A 1 6.732 5.451 4.837 1.00 0.00 H new ATOM 0 H3' DG A 1 4.918 5.070 7.359 1.00 0.00 H new ATOM 0 H2' DG A 1 5.736 2.711 6.932 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.543 3.213 5.460 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.718 7.177 7.584 1.00 0.00 H new ATOM 0 H1' DG A 1 8.225 3.589 7.202 1.00 0.00 H new ATOM 0 H8 DG A 1 7.018 2.177 8.995 1.00 0.00 H new ATOM 0 H1 DG A 1 5.513 7.549 12.140 1.00 0.00 H new ATOM 0 H21 DG A 1 6.356 9.113 9.137 1.00 0.00 H new ATOM 0 H22 DG A 1 5.793 9.296 10.801 1.00 0.00 H new ATOM 32 P DA A 2 3.367 3.483 5.206 1.00 0.00 P ATOM 33 OP1 DA A 2 2.033 3.924 4.722 1.00 0.00 O ATOM 34 OP2 DA A 2 3.458 2.488 6.305 1.00 0.00 O ATOM 35 O5' DA A 2 4.204 2.936 3.959 1.00 0.00 O ATOM 36 C5' DA A 2 4.248 3.657 2.725 1.00 0.00 C ATOM 37 C4' DA A 2 5.517 3.351 1.986 1.00 0.00 C ATOM 38 O4' DA A 2 6.649 3.737 2.750 1.00 0.00 O ATOM 39 C3' DA A 2 5.789 1.879 1.714 1.00 0.00 C ATOM 40 O3' DA A 2 5.245 1.309 0.514 1.00 0.00 O ATOM 41 C2' DA A 2 7.305 1.812 1.723 1.00 0.00 C ATOM 42 C1' DA A 2 7.740 3.248 1.957 1.00 0.00 C ATOM 43 N9 DA A 2 8.887 3.453 2.838 1.00 0.00 N ATOM 44 C8 DA A 2 9.041 2.944 4.094 1.00 0.00 C ATOM 45 N7 DA A 2 10.131 3.340 4.692 1.00 0.00 N ATOM 46 C5 DA A 2 10.740 4.162 3.763 1.00 0.00 C ATOM 47 C6 DA A 2 11.933 4.894 3.788 1.00 0.00 C ATOM 48 N6 DA A 2 12.756 4.957 4.843 1.00 0.00 N ATOM 49 N1 DA A 2 12.231 5.593 2.696 1.00 0.00 N ATOM 50 C2 DA A 2 11.414 5.581 1.643 1.00 0.00 C ATOM 51 N3 DA A 2 10.259 4.935 1.496 1.00 0.00 N ATOM 52 C4 DA A 2 9.986 4.239 2.611 1.00 0.00 C ATOM 0 H5' DA A 2 4.182 4.727 2.919 1.00 0.00 H new ATOM 0 H5'' DA A 2 3.388 3.391 2.110 1.00 0.00 H new ATOM 0 H4' DA A 2 5.374 3.891 1.050 1.00 0.00 H new ATOM 0 H3' DA A 2 5.281 1.273 2.464 1.00 0.00 H new ATOM 0 H2' DA A 2 7.670 1.152 2.510 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.692 1.427 0.780 1.00 0.00 H new ATOM 0 H1' DA A 2 7.991 3.694 0.995 1.00 0.00 H new ATOM 0 H8 DA A 2 8.327 2.275 4.551 1.00 0.00 H new ATOM 0 H61 DA A 2 13.611 5.511 4.791 1.00 0.00 H new ATOM 0 H62 DA A 2 12.528 4.451 5.699 1.00 0.00 H new ATOM 0 H2 DA A 2 11.731 6.173 0.797 1.00 0.00 H new ATOM 64 P DG A 3 4.995 2.090 -0.882 1.00 0.00 P ATOM 65 OP1 DG A 3 3.925 3.095 -0.656 1.00 0.00 O ATOM 66 OP2 DG A 3 4.816 1.063 -1.939 1.00 0.00 O ATOM 67 O5' DG A 3 6.354 2.887 -1.202 1.00 0.00 O ATOM 68 C5' DG A 3 6.730 3.355 -2.510 1.00 0.00 C ATOM 69 C4' DG A 3 8.085 2.777 -2.868 1.00 0.00 C ATOM 70 O4' DG A 3 8.977 3.089 -1.811 1.00 0.00 O ATOM 71 C3' DG A 3 8.138 1.254 -2.850 1.00 0.00 C ATOM 72 O3' DG A 3 7.591 0.622 -4.014 1.00 0.00 O ATOM 73 C2' DG A 3 9.618 0.989 -2.621 1.00 0.00 C ATOM 74 C1' DG A 3 10.141 2.351 -2.165 1.00 0.00 C ATOM 75 N9 DG A 3 10.919 2.347 -0.950 1.00 0.00 N ATOM 76 C8 DG A 3 11.993 3.113 -0.646 1.00 0.00 C ATOM 77 N7 DG A 3 12.446 2.923 0.563 1.00 0.00 N ATOM 78 C5 DG A 3 11.599 1.953 1.072 1.00 0.00 C ATOM 79 C6 DG A 3 11.577 1.329 2.329 1.00 0.00 C ATOM 80 O6 DG A 3 12.344 1.552 3.254 1.00 0.00 O ATOM 81 N1 DG A 3 10.552 0.396 2.424 1.00 0.00 N ATOM 82 C2 DG A 3 9.665 0.116 1.414 1.00 0.00 C ATOM 83 N2 DG A 3 8.736 -0.816 1.598 1.00 0.00 N ATOM 84 N3 DG A 3 9.676 0.702 0.233 1.00 0.00 N ATOM 85 C4 DG A 3 10.660 1.596 0.139 1.00 0.00 C ATOM 0 H5' DG A 3 6.769 4.444 -2.524 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.985 3.054 -3.247 1.00 0.00 H new ATOM 0 H4' DG A 3 8.314 3.173 -3.857 1.00 0.00 H new ATOM 0 H3' DG A 3 7.502 0.815 -2.081 1.00 0.00 H new ATOM 0 H2' DG A 3 9.779 0.221 -1.865 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.113 0.650 -3.531 1.00 0.00 H new ATOM 0 H1' DG A 3 10.771 2.732 -2.969 1.00 0.00 H new ATOM 0 H8 DG A 3 12.433 3.815 -1.339 1.00 0.00 H new ATOM 0 H1 DG A 3 10.452 -0.114 3.301 1.00 0.00 H new ATOM 0 H21 DG A 3 8.073 -1.030 0.853 1.00 0.00 H new ATOM 0 H22 DG A 3 8.686 -1.318 2.485 1.00 0.00 H new ATOM 97 P DC A 4 8.060 1.023 -5.500 1.00 0.00 P ATOM 98 OP1 DC A 4 7.778 2.463 -5.731 1.00 0.00 O ATOM 99 OP2 DC A 4 7.538 0.006 -6.448 1.00 0.00 O ATOM 100 O5' DC A 4 9.633 0.818 -5.339 1.00 0.00 O ATOM 101 C5' DC A 4 10.663 1.604 -5.922 1.00 0.00 C ATOM 102 C4' DC A 4 11.988 1.237 -5.278 1.00 0.00 C ATOM 103 O4' DC A 4 12.148 1.576 -3.875 1.00 0.00 O ATOM 104 C3' DC A 4 12.210 -0.269 -5.157 1.00 0.00 C ATOM 105 O3' DC A 4 12.293 -1.185 -6.252 1.00 0.00 O ATOM 106 C2' DC A 4 13.343 -0.358 -4.151 1.00 0.00 C ATOM 107 C1' DC A 4 13.383 0.993 -3.401 1.00 0.00 C ATOM 108 N1 DC A 4 13.460 0.630 -1.972 1.00 0.00 N ATOM 109 C2 DC A 4 14.513 1.031 -1.129 1.00 0.00 C ATOM 110 O2 DC A 4 15.432 1.771 -1.487 1.00 0.00 O ATOM 111 N3 DC A 4 14.514 0.577 0.145 1.00 0.00 N ATOM 112 C4 DC A 4 13.540 -0.227 0.584 1.00 0.00 C ATOM 113 N4 DC A 4 13.586 -0.650 1.843 1.00 0.00 N ATOM 114 C5 DC A 4 12.478 -0.629 -0.258 1.00 0.00 C ATOM 115 C6 DC A 4 12.477 -0.184 -1.499 1.00 0.00 C ATOM 0 H5' DC A 4 10.455 2.664 -5.778 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.706 1.431 -6.997 1.00 0.00 H new ATOM 0 H4' DC A 4 12.652 1.786 -5.946 1.00 0.00 H new ATOM 0 H3' DC A 4 11.241 -0.691 -4.889 1.00 0.00 H new ATOM 0 H2' DC A 4 13.179 -1.181 -3.456 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.291 -0.549 -4.653 1.00 0.00 H new ATOM 0 H1' DC A 4 14.199 1.699 -3.554 1.00 0.00 H new ATOM 0 H41 DC A 4 12.855 -1.264 2.202 1.00 0.00 H new ATOM 0 H42 DC A 4 14.353 -0.361 2.451 1.00 0.00 H new ATOM 0 H5 DC A 4 11.694 -1.278 0.103 1.00 0.00 H new ATOM 0 H6 DC A 4 11.673 -0.474 -2.159 1.00 0.00 H new ATOM 127 P DA A 5 11.112 -2.259 -6.565 1.00 0.00 P ATOM 128 OP1 DA A 5 11.544 -3.023 -7.763 1.00 0.00 O ATOM 129 OP2 DA A 5 9.824 -1.528 -6.618 1.00 0.00 O ATOM 130 O5' DA A 5 11.012 -3.325 -5.351 1.00 0.00 O ATOM 131 C5' DA A 5 10.718 -3.059 -3.966 1.00 0.00 C ATOM 132 C4' DA A 5 11.040 -4.286 -3.118 1.00 0.00 C ATOM 133 O4' DA A 5 12.272 -4.855 -3.577 1.00 0.00 O ATOM 134 C3' DA A 5 11.185 -4.173 -1.616 1.00 0.00 C ATOM 135 O3' DA A 5 11.153 -5.375 -0.817 1.00 0.00 O ATOM 136 C2' DA A 5 12.595 -3.673 -1.557 1.00 0.00 C ATOM 137 C1' DA A 5 13.273 -4.538 -2.605 1.00 0.00 C ATOM 138 N9 DA A 5 14.359 -3.762 -3.201 1.00 0.00 N ATOM 139 C8 DA A 5 14.625 -3.436 -4.506 1.00 0.00 C ATOM 140 N7 DA A 5 15.709 -2.707 -4.646 1.00 0.00 N ATOM 141 C5 DA A 5 16.173 -2.549 -3.344 1.00 0.00 C ATOM 142 C6 DA A 5 17.276 -1.885 -2.780 1.00 0.00 C ATOM 143 N6 DA A 5 18.182 -1.211 -3.495 1.00 0.00 N ATOM 144 N1 DA A 5 17.414 -1.944 -1.443 1.00 0.00 N ATOM 145 C2 DA A 5 16.509 -2.621 -0.720 1.00 0.00 C ATOM 146 N3 DA A 5 15.446 -3.278 -1.137 1.00 0.00 N ATOM 147 C4 DA A 5 15.344 -3.196 -2.464 1.00 0.00 C ATOM 0 H5' DA A 5 9.666 -2.795 -3.853 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.300 -2.205 -3.620 1.00 0.00 H new ATOM 0 H4' DA A 5 10.132 -4.873 -3.260 1.00 0.00 H new ATOM 0 H3' DA A 5 10.354 -3.595 -1.213 1.00 0.00 H new ATOM 0 H2' DA A 5 12.663 -2.612 -1.796 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.036 -3.806 -0.569 1.00 0.00 H new ATOM 0 H1' DA A 5 13.693 -5.455 -2.191 1.00 0.00 H new ATOM 0 H8 DA A 5 14.006 -3.747 -5.335 1.00 0.00 H new ATOM 0 H61 DA A 5 18.961 -0.750 -3.026 1.00 0.00 H new ATOM 0 H62 DA A 5 18.094 -1.158 -4.510 1.00 0.00 H new ATOM 0 H2 DA A 5 16.674 -2.628 0.347 1.00 0.00 H new ATOM 159 P DG A 6 10.949 -6.924 -1.239 1.00 0.00 P ATOM 160 OP1 DG A 6 11.526 -7.747 -0.146 1.00 0.00 O ATOM 161 OP2 DG A 6 11.438 -7.135 -2.624 1.00 0.00 O ATOM 162 O5' DG A 6 9.359 -7.160 -1.257 1.00 0.00 O ATOM 163 C5' DG A 6 8.665 -7.880 -0.231 1.00 0.00 C ATOM 164 C4' DG A 6 8.342 -6.995 0.953 1.00 0.00 C ATOM 165 O4' DG A 6 9.540 -6.444 1.528 1.00 0.00 O ATOM 166 C3' DG A 6 7.416 -5.791 0.675 1.00 0.00 C ATOM 167 O3' DG A 6 6.300 -5.602 1.559 1.00 0.00 O ATOM 168 C2' DG A 6 8.376 -4.683 0.992 1.00 0.00 C ATOM 169 C1' DG A 6 9.156 -5.245 2.202 1.00 0.00 C ATOM 170 N9 DG A 6 10.336 -4.442 2.525 1.00 0.00 N ATOM 171 C8 DG A 6 10.924 -3.616 1.634 1.00 0.00 C ATOM 172 N7 DG A 6 11.921 -2.943 2.079 1.00 0.00 N ATOM 173 C5 DG A 6 12.011 -3.353 3.388 1.00 0.00 C ATOM 174 C6 DG A 6 12.924 -2.940 4.346 1.00 0.00 C ATOM 175 O6 DG A 6 13.806 -2.120 4.155 1.00 0.00 O ATOM 176 N1 DG A 6 12.736 -3.549 5.562 1.00 0.00 N ATOM 177 C2 DG A 6 11.759 -4.470 5.825 1.00 0.00 C ATOM 178 N2 DG A 6 11.752 -4.941 7.082 1.00 0.00 N ATOM 179 N3 DG A 6 10.858 -4.889 4.911 1.00 0.00 N ATOM 180 C4 DG A 6 11.044 -4.286 3.710 1.00 0.00 C ATOM 0 H5' DG A 6 9.274 -8.721 0.099 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.743 -8.295 -0.638 1.00 0.00 H new ATOM 0 H4' DG A 6 7.814 -7.678 1.618 1.00 0.00 H new ATOM 0 H3' DG A 6 6.962 -5.880 -0.312 1.00 0.00 H new ATOM 0 H2' DG A 6 9.035 -4.465 0.151 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.858 -3.757 1.239 1.00 0.00 H new ATOM 0 H1' DG A 6 8.630 -5.312 3.155 1.00 0.00 H new ATOM 0 H8 DG A 6 10.578 -3.528 0.615 1.00 0.00 H new ATOM 0 H1 DG A 6 13.368 -3.297 6.322 1.00 0.00 H new ATOM 0 H21 DG A 6 11.056 -5.632 7.364 1.00 0.00 H new ATOM 0 H22 DG A 6 12.442 -4.608 7.755 1.00 0.00 H new ATOM 192 P DG A 7 5.449 -6.785 2.231 1.00 0.00 P ATOM 193 OP1 DG A 7 5.284 -7.872 1.231 1.00 0.00 O ATOM 194 OP2 DG A 7 4.249 -6.196 2.878 1.00 0.00 O ATOM 195 O5' DG A 7 6.478 -7.292 3.355 1.00 0.00 O ATOM 196 C5' DG A 7 6.190 -7.567 4.728 1.00 0.00 C ATOM 197 C4' DG A 7 6.214 -6.319 5.597 1.00 0.00 C ATOM 198 O4' DG A 7 7.470 -5.609 5.465 1.00 0.00 O ATOM 199 C3' DG A 7 5.132 -5.232 5.397 1.00 0.00 C ATOM 200 O3' DG A 7 4.607 -4.743 6.637 1.00 0.00 O ATOM 201 C2' DG A 7 6.006 -4.143 4.796 1.00 0.00 C ATOM 202 C1' DG A 7 7.184 -4.237 5.769 1.00 0.00 C ATOM 203 N9 DG A 7 8.204 -3.261 5.375 1.00 0.00 N ATOM 204 C8 DG A 7 8.366 -2.713 4.130 1.00 0.00 C ATOM 205 N7 DG A 7 9.311 -1.834 4.075 1.00 0.00 N ATOM 206 C5 DG A 7 9.817 -1.782 5.345 1.00 0.00 C ATOM 207 C6 DG A 7 10.860 -0.989 5.833 1.00 0.00 C ATOM 208 O6 DG A 7 11.502 -0.184 5.168 1.00 0.00 O ATOM 209 N1 DG A 7 11.096 -1.212 7.177 1.00 0.00 N ATOM 210 C2 DG A 7 10.379 -2.111 7.937 1.00 0.00 C ATOM 211 N2 DG A 7 10.697 -2.237 9.225 1.00 0.00 N ATOM 212 N3 DG A 7 9.378 -2.871 7.480 1.00 0.00 N ATOM 213 C4 DG A 7 9.151 -2.656 6.176 1.00 0.00 C ATOM 0 H5' DG A 7 6.916 -8.284 5.110 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.209 -8.037 4.802 1.00 0.00 H new ATOM 0 H4' DG A 7 6.028 -6.776 6.569 1.00 0.00 H new ATOM 0 H3' DG A 7 4.267 -5.570 4.826 1.00 0.00 H new ATOM 0 H2' DG A 7 6.291 -4.350 3.765 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.528 -3.164 4.804 1.00 0.00 H new ATOM 0 H1' DG A 7 7.064 -4.019 6.830 1.00 0.00 H new ATOM 0 H8 DG A 7 7.763 -2.989 3.278 1.00 0.00 H new ATOM 0 H1 DG A 7 11.841 -0.683 7.630 1.00 0.00 H new ATOM 0 H21 DG A 7 10.186 -2.894 9.815 1.00 0.00 H new ATOM 0 H22 DG A 7 11.452 -1.677 9.621 1.00 0.00 H new ATOM 225 P DT A 8 3.598 -5.607 7.540 1.00 0.00 P ATOM 226 OP1 DT A 8 3.651 -7.025 7.101 1.00 0.00 O ATOM 227 OP2 DT A 8 2.292 -4.899 7.559 1.00 0.00 O ATOM 228 O5' DT A 8 4.244 -5.525 9.005 1.00 0.00 O ATOM 229 C5' DT A 8 3.825 -4.583 9.992 1.00 0.00 C ATOM 230 C4' DT A 8 4.937 -4.350 11.004 1.00 0.00 C ATOM 231 O4' DT A 8 6.172 -3.890 10.434 1.00 0.00 O ATOM 232 C3' DT A 8 4.679 -3.401 12.161 1.00 0.00 C ATOM 233 O3' DT A 8 5.512 -3.648 13.278 1.00 0.00 O ATOM 234 C2' DT A 8 5.064 -2.121 11.493 1.00 0.00 C ATOM 235 C1' DT A 8 6.366 -2.517 10.827 1.00 0.00 C ATOM 236 N1 DT A 8 6.588 -1.762 9.584 1.00 0.00 N ATOM 237 C2 DT A 8 7.724 -1.011 9.386 1.00 0.00 C ATOM 238 O2 DT A 8 8.604 -0.916 10.239 1.00 0.00 O ATOM 239 N3 DT A 8 7.786 -0.363 8.161 1.00 0.00 N ATOM 240 C4 DT A 8 6.851 -0.393 7.154 1.00 0.00 C ATOM 241 O4 DT A 8 7.034 0.231 6.109 1.00 0.00 O ATOM 242 C5 DT A 8 5.697 -1.199 7.452 1.00 0.00 C ATOM 243 C7 DT A 8 4.551 -1.327 6.478 1.00 0.00 C ATOM 244 C6 DT A 8 5.632 -1.826 8.622 1.00 0.00 C ATOM 0 H5' DT A 8 2.933 -4.950 10.500 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.555 -3.641 9.514 1.00 0.00 H new ATOM 0 H4' DT A 8 4.989 -5.368 11.390 1.00 0.00 H new ATOM 0 H3' DT A 8 3.673 -3.458 12.576 1.00 0.00 H new ATOM 0 H2' DT A 8 4.316 -1.792 10.772 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.197 -1.308 12.207 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.303 -3.008 13.990 1.00 0.00 H new ATOM 0 H1' DT A 8 7.204 -2.340 11.501 1.00 0.00 H new ATOM 0 H3 DT A 8 8.619 0.199 7.988 1.00 0.00 H new ATOM 0 H71 DT A 8 4.080 -2.303 6.596 1.00 0.00 H new ATOM 0 H72 DT A 8 3.818 -0.544 6.674 1.00 0.00 H new ATOM 0 H73 DT A 8 4.926 -1.226 5.460 1.00 0.00 H new ATOM 0 H6 DT A 8 4.758 -2.428 8.821 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 8.601 9.045 9.323 1.00 0.00 O ATOM 260 C5' DG B 1 9.399 7.938 9.746 1.00 0.00 C ATOM 261 C4' DG B 1 10.470 7.587 8.747 1.00 0.00 C ATOM 262 O4' DG B 1 9.980 7.012 7.523 1.00 0.00 O ATOM 263 C3' DG B 1 11.413 8.723 8.298 1.00 0.00 C ATOM 264 O3' DG B 1 12.103 9.366 9.374 1.00 0.00 O ATOM 265 C2' DG B 1 12.228 7.881 7.362 1.00 0.00 C ATOM 266 C1' DG B 1 11.007 7.387 6.601 1.00 0.00 C ATOM 267 N9 DG B 1 10.540 8.401 5.664 1.00 0.00 N ATOM 268 C8 DG B 1 11.278 8.752 4.614 1.00 0.00 C ATOM 269 N7 DG B 1 10.788 9.721 3.889 1.00 0.00 N ATOM 270 C5 DG B 1 9.603 10.034 4.549 1.00 0.00 C ATOM 271 C6 DG B 1 8.617 11.013 4.251 1.00 0.00 C ATOM 272 O6 DG B 1 8.603 11.814 3.318 1.00 0.00 O ATOM 273 N1 DG B 1 7.583 10.996 5.169 1.00 0.00 N ATOM 274 C2 DG B 1 7.502 10.147 6.243 1.00 0.00 C ATOM 275 N2 DG B 1 6.434 10.264 7.037 1.00 0.00 N ATOM 276 N3 DG B 1 8.418 9.221 6.538 1.00 0.00 N ATOM 277 C4 DG B 1 9.434 9.221 5.656 1.00 0.00 C ATOM 0 H5' DG B 1 8.757 7.071 9.906 1.00 0.00 H new ATOM 0 H5'' DG B 1 9.863 8.173 10.704 1.00 0.00 H new ATOM 0 H4' DG B 1 11.026 6.869 9.350 1.00 0.00 H new ATOM 0 H3' DG B 1 10.975 9.618 7.856 1.00 0.00 H new ATOM 0 H2' DG B 1 12.933 8.448 6.753 1.00 0.00 H new ATOM 0 H2'' DG B 1 12.795 7.091 7.854 1.00 0.00 H new ATOM 0 HO5' DG B 1 8.670 9.145 8.351 1.00 0.00 H new ATOM 0 H1' DG B 1 11.281 6.507 6.019 1.00 0.00 H new ATOM 0 H8 DG B 1 12.215 8.270 4.378 1.00 0.00 H new ATOM 0 H1 DG B 1 6.824 11.665 5.038 1.00 0.00 H new ATOM 0 H21 DG B 1 6.332 9.653 7.848 1.00 0.00 H new ATOM 0 H22 DG B 1 5.721 10.964 6.833 1.00 0.00 H new ATOM 290 P DA B 2 13.659 9.763 9.386 1.00 0.00 P ATOM 291 OP1 DA B 2 13.879 10.737 10.485 1.00 0.00 O ATOM 292 OP2 DA B 2 14.082 10.106 8.004 1.00 0.00 O ATOM 293 O5' DA B 2 14.341 8.376 9.793 1.00 0.00 O ATOM 294 C5' DA B 2 14.166 7.822 11.098 1.00 0.00 C ATOM 295 C4' DA B 2 14.312 6.329 11.057 1.00 0.00 C ATOM 296 O4' DA B 2 13.330 5.752 10.208 1.00 0.00 O ATOM 297 C3' DA B 2 15.609 5.805 10.463 1.00 0.00 C ATOM 298 O3' DA B 2 16.730 5.640 11.345 1.00 0.00 O ATOM 299 C2' DA B 2 15.186 4.482 9.850 1.00 0.00 C ATOM 300 C1' DA B 2 13.710 4.370 10.189 1.00 0.00 C ATOM 301 N9 DA B 2 12.838 3.816 9.156 1.00 0.00 N ATOM 302 C8 DA B 2 12.758 4.233 7.859 1.00 0.00 C ATOM 303 N7 DA B 2 11.843 3.614 7.164 1.00 0.00 N ATOM 304 C5 DA B 2 11.286 2.724 8.064 1.00 0.00 C ATOM 305 C6 DA B 2 10.263 1.777 7.944 1.00 0.00 C ATOM 306 N6 DA B 2 9.550 1.575 6.829 1.00 0.00 N ATOM 307 N1 DA B 2 9.974 1.068 9.032 1.00 0.00 N ATOM 308 C2 DA B 2 10.638 1.271 10.169 1.00 0.00 C ATOM 309 N3 DA B 2 11.621 2.137 10.411 1.00 0.00 N ATOM 310 C4 DA B 2 11.893 2.836 9.298 1.00 0.00 C ATOM 0 H5' DA B 2 13.181 8.087 11.483 1.00 0.00 H new ATOM 0 H5'' DA B 2 14.901 8.247 11.782 1.00 0.00 H new ATOM 0 H4' DA B 2 14.241 6.061 12.111 1.00 0.00 H new ATOM 0 H3' DA B 2 16.013 6.543 9.771 1.00 0.00 H new ATOM 0 H2' DA B 2 15.349 4.472 8.772 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.755 3.650 10.266 1.00 0.00 H new ATOM 0 H1' DA B 2 13.604 3.737 11.070 1.00 0.00 H new ATOM 0 H8 DA B 2 13.393 5.003 7.446 1.00 0.00 H new ATOM 0 H61 DA B 2 8.817 0.865 6.814 1.00 0.00 H new ATOM 0 H62 DA B 2 9.739 2.131 5.995 1.00 0.00 H new ATOM 0 H2 DA B 2 10.341 0.653 11.003 1.00 0.00 H new ATOM 322 P DG B 3 16.655 5.270 12.918 1.00 0.00 P ATOM 323 OP1 DG B 3 16.033 6.416 13.626 1.00 0.00 O ATOM 324 OP2 DG B 3 18.006 4.806 13.329 1.00 0.00 O ATOM 325 O5' DG B 3 15.655 4.017 13.039 1.00 0.00 O ATOM 326 C5' DG B 3 15.622 3.112 14.158 1.00 0.00 C ATOM 327 C4' DG B 3 15.833 1.698 13.651 1.00 0.00 C ATOM 328 O4' DG B 3 14.880 1.464 12.626 1.00 0.00 O ATOM 329 C3' DG B 3 17.135 1.498 12.885 1.00 0.00 C ATOM 330 O3' DG B 3 18.298 1.346 13.710 1.00 0.00 O ATOM 331 C2' DG B 3 16.812 0.292 12.016 1.00 0.00 C ATOM 332 C1' DG B 3 15.290 0.201 12.112 1.00 0.00 C ATOM 333 N9 DG B 3 14.588 0.108 10.854 1.00 0.00 N ATOM 334 C8 DG B 3 13.469 -0.597 10.575 1.00 0.00 C ATOM 335 N7 DG B 3 13.034 -0.431 9.356 1.00 0.00 N ATOM 336 C5 DG B 3 13.954 0.448 8.807 1.00 0.00 C ATOM 337 C6 DG B 3 14.031 1.004 7.521 1.00 0.00 C ATOM 338 O6 DG B 3 13.245 0.806 6.606 1.00 0.00 O ATOM 339 N1 DG B 3 15.130 1.842 7.386 1.00 0.00 N ATOM 340 C2 DG B 3 16.035 2.098 8.386 1.00 0.00 C ATOM 341 N2 DG B 3 17.070 2.896 8.146 1.00 0.00 N ATOM 342 N3 DG B 3 15.967 1.584 9.598 1.00 0.00 N ATOM 343 C4 DG B 3 14.914 0.778 9.730 1.00 0.00 C ATOM 0 H5' DG B 3 14.666 3.188 14.677 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.397 3.374 14.878 1.00 0.00 H new ATOM 0 H4' DG B 3 15.789 1.065 14.537 1.00 0.00 H new ATOM 0 H3' DG B 3 17.427 2.374 12.306 1.00 0.00 H new ATOM 0 H2' DG B 3 17.144 0.434 10.988 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.295 -0.613 12.385 1.00 0.00 H new ATOM 0 H1' DG B 3 15.065 -0.693 12.693 1.00 0.00 H new ATOM 0 H8 DG B 3 12.980 -1.238 11.294 1.00 0.00 H new ATOM 0 H1 DG B 3 15.274 2.297 6.485 1.00 0.00 H new ATOM 0 H21 DG B 3 17.746 3.090 8.885 1.00 0.00 H new ATOM 0 H22 DG B 3 17.188 3.314 7.223 1.00 0.00 H new ATOM 355 P DC B 4 18.361 0.267 14.901 1.00 0.00 P ATOM 356 OP1 DC B 4 17.283 0.555 15.881 1.00 0.00 O ATOM 357 OP2 DC B 4 19.768 0.156 15.360 1.00 0.00 O ATOM 358 O5' DC B 4 17.982 -1.047 14.080 1.00 0.00 O ATOM 359 C5' DC B 4 17.193 -2.140 14.530 1.00 0.00 C ATOM 360 C4' DC B 4 16.851 -3.022 13.342 1.00 0.00 C ATOM 361 O4' DC B 4 15.977 -2.451 12.334 1.00 0.00 O ATOM 362 C3' DC B 4 18.047 -3.318 12.439 1.00 0.00 C ATOM 363 O3' DC B 4 19.231 -4.015 12.834 1.00 0.00 O ATOM 364 C2' DC B 4 17.387 -3.830 11.171 1.00 0.00 C ATOM 365 C1' DC B 4 15.916 -3.359 11.211 1.00 0.00 C ATOM 366 N1 DC B 4 15.668 -2.777 9.878 1.00 0.00 N ATOM 367 C2 DC B 4 14.669 -3.246 9.005 1.00 0.00 C ATOM 368 O2 DC B 4 13.871 -4.137 9.296 1.00 0.00 O ATOM 369 N3 DC B 4 14.582 -2.682 7.778 1.00 0.00 N ATOM 370 C4 DC B 4 15.424 -1.709 7.413 1.00 0.00 C ATOM 371 N4 DC B 4 15.302 -1.189 6.196 1.00 0.00 N ATOM 372 C5 DC B 4 16.427 -1.233 8.287 1.00 0.00 C ATOM 373 C6 DC B 4 16.509 -1.781 9.484 1.00 0.00 C ATOM 0 H5' DC B 4 16.281 -1.777 15.004 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.737 -2.713 15.281 1.00 0.00 H new ATOM 0 H4' DC B 4 16.415 -3.861 13.883 1.00 0.00 H new ATOM 0 H3' DC B 4 18.619 -2.391 12.391 1.00 0.00 H new ATOM 0 H2' DC B 4 17.893 -3.441 10.288 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.443 -4.917 11.118 1.00 0.00 H new ATOM 0 H1' DC B 4 15.101 -4.067 11.361 1.00 0.00 H new ATOM 0 H41 DC B 4 15.932 -0.446 5.893 1.00 0.00 H new ATOM 0 H42 DC B 4 14.579 -1.533 5.565 1.00 0.00 H new ATOM 0 H5 DC B 4 17.104 -0.447 7.985 1.00 0.00 H new ATOM 0 H6 DC B 4 17.265 -1.430 10.171 1.00 0.00 H new ATOM 385 P DA B 5 20.657 -3.253 13.013 1.00 0.00 P ATOM 386 OP1 DA B 5 21.638 -4.286 13.430 1.00 0.00 O ATOM 387 OP2 DA B 5 20.447 -2.078 13.893 1.00 0.00 O ATOM 388 O5' DA B 5 21.159 -2.695 11.578 1.00 0.00 O ATOM 389 C5' DA B 5 20.497 -1.745 10.721 1.00 0.00 C ATOM 390 C4' DA B 5 21.143 -1.748 9.339 1.00 0.00 C ATOM 391 O4' DA B 5 21.423 -3.103 8.962 1.00 0.00 O ATOM 392 C3' DA B 5 20.432 -1.140 8.150 1.00 0.00 C ATOM 393 O3' DA B 5 21.188 -0.856 6.953 1.00 0.00 O ATOM 394 C2' DA B 5 19.530 -2.285 7.810 1.00 0.00 C ATOM 395 C1' DA B 5 20.465 -3.472 7.967 1.00 0.00 C ATOM 396 N9 DA B 5 19.671 -4.620 8.400 1.00 0.00 N ATOM 397 C8 DA B 5 19.797 -5.444 9.489 1.00 0.00 C ATOM 398 N7 DA B 5 18.872 -6.378 9.539 1.00 0.00 N ATOM 399 C5 DA B 5 18.097 -6.138 8.409 1.00 0.00 C ATOM 400 C6 DA B 5 16.958 -6.755 7.865 1.00 0.00 C ATOM 401 N6 DA B 5 16.355 -7.816 8.412 1.00 0.00 N ATOM 402 N1 DA B 5 16.461 -6.239 6.726 1.00 0.00 N ATOM 403 C2 DA B 5 17.063 -5.177 6.170 1.00 0.00 C ATOM 404 N3 DA B 5 18.129 -4.522 6.588 1.00 0.00 N ATOM 405 C4 DA B 5 18.589 -5.062 7.716 1.00 0.00 C ATOM 0 H5' DA B 5 20.556 -0.748 11.157 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.439 -1.994 10.637 1.00 0.00 H new ATOM 0 H4' DA B 5 21.994 -1.089 9.513 1.00 0.00 H new ATOM 0 H3' DA B 5 20.038 -0.161 8.423 1.00 0.00 H new ATOM 0 H2' DA B 5 18.675 -2.346 8.483 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.134 -2.207 6.797 1.00 0.00 H new ATOM 0 H1' DA B 5 20.974 -3.737 7.040 1.00 0.00 H new ATOM 0 H8 DA B 5 20.576 -5.337 10.230 1.00 0.00 H new ATOM 0 H61 DA B 5 15.530 -8.219 7.968 1.00 0.00 H new ATOM 0 H62 DA B 5 16.720 -8.222 9.273 1.00 0.00 H new ATOM 0 H2 DA B 5 16.615 -4.809 5.259 1.00 0.00 H new ATOM 417 P DG B 6 22.760 -1.048 6.620 1.00 0.00 P ATOM 418 OP1 DG B 6 22.881 -1.112 5.141 1.00 0.00 O ATOM 419 OP2 DG B 6 23.313 -2.162 7.429 1.00 0.00 O ATOM 420 O5' DG B 6 23.474 0.302 7.121 1.00 0.00 O ATOM 421 C5' DG B 6 23.932 1.323 6.227 1.00 0.00 C ATOM 422 C4' DG B 6 22.817 2.268 5.837 1.00 0.00 C ATOM 423 O4' DG B 6 21.742 1.561 5.193 1.00 0.00 O ATOM 424 C3' DG B 6 22.165 3.069 6.986 1.00 0.00 C ATOM 425 O3' DG B 6 22.019 4.485 6.799 1.00 0.00 O ATOM 426 C2' DG B 6 20.779 2.504 6.903 1.00 0.00 C ATOM 427 C1' DG B 6 20.565 2.347 5.382 1.00 0.00 C ATOM 428 N9 DG B 6 19.373 1.562 5.064 1.00 0.00 N ATOM 429 C8 DG B 6 18.803 0.709 5.944 1.00 0.00 C ATOM 430 N7 DG B 6 17.735 0.128 5.536 1.00 0.00 N ATOM 431 C5 DG B 6 17.568 0.635 4.271 1.00 0.00 C ATOM 432 C6 DG B 6 16.559 0.347 3.365 1.00 0.00 C ATOM 433 O6 DG B 6 15.640 -0.426 3.576 1.00 0.00 O ATOM 434 N1 DG B 6 16.689 1.029 2.182 1.00 0.00 N ATOM 435 C2 DG B 6 17.701 1.908 1.901 1.00 0.00 C ATOM 436 N2 DG B 6 17.639 2.467 0.683 1.00 0.00 N ATOM 437 N3 DG B 6 18.695 2.208 2.764 1.00 0.00 N ATOM 438 C4 DG B 6 18.566 1.532 3.933 1.00 0.00 C ATOM 0 H5' DG B 6 24.348 0.862 5.331 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.737 1.886 6.699 1.00 0.00 H new ATOM 0 H4' DG B 6 23.328 2.974 5.182 1.00 0.00 H new ATOM 0 H3' DG B 6 22.757 2.980 7.897 1.00 0.00 H new ATOM 0 H2' DG B 6 20.699 1.550 7.423 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.042 3.172 7.348 1.00 0.00 H new ATOM 0 H1' DG B 6 20.429 3.256 4.796 1.00 0.00 H new ATOM 0 H8 DG B 6 19.219 0.529 6.924 1.00 0.00 H new ATOM 0 H1 DG B 6 15.984 0.871 1.462 1.00 0.00 H new ATOM 0 H21 DG B 6 18.353 3.134 0.391 1.00 0.00 H new ATOM 0 H22 DG B 6 16.877 2.225 0.049 1.00 0.00 H new ATOM 450 P DG B 7 23.066 5.423 6.021 1.00 0.00 P ATOM 451 OP1 DG B 7 24.440 4.969 6.353 1.00 0.00 O ATOM 452 OP2 DG B 7 22.686 6.840 6.245 1.00 0.00 O ATOM 453 O5' DG B 7 22.757 5.014 4.498 1.00 0.00 O ATOM 454 C5' DG B 7 22.570 5.894 3.388 1.00 0.00 C ATOM 455 C4' DG B 7 21.147 6.426 3.292 1.00 0.00 C ATOM 456 O4' DG B 7 20.183 5.345 3.263 1.00 0.00 O ATOM 457 C3' DG B 7 20.618 7.387 4.382 1.00 0.00 C ATOM 458 O3' DG B 7 19.890 8.492 3.834 1.00 0.00 O ATOM 459 C2' DG B 7 19.621 6.454 5.049 1.00 0.00 C ATOM 460 C1' DG B 7 18.963 5.886 3.789 1.00 0.00 C ATOM 461 N9 DG B 7 17.941 4.913 4.184 1.00 0.00 N ATOM 462 C8 DG B 7 17.883 4.234 5.369 1.00 0.00 C ATOM 463 N7 DG B 7 16.840 3.479 5.478 1.00 0.00 N ATOM 464 C5 DG B 7 16.155 3.654 4.307 1.00 0.00 C ATOM 465 C6 DG B 7 14.951 3.065 3.906 1.00 0.00 C ATOM 466 O6 DG B 7 14.299 2.272 4.577 1.00 0.00 O ATOM 467 N1 DG B 7 14.564 3.483 2.647 1.00 0.00 N ATOM 468 C2 DG B 7 15.285 4.376 1.885 1.00 0.00 C ATOM 469 N2 DG B 7 14.809 4.705 0.685 1.00 0.00 N ATOM 470 N3 DG B 7 16.436 4.946 2.261 1.00 0.00 N ATOM 471 C4 DG B 7 16.813 4.540 3.482 1.00 0.00 C ATOM 0 H5' DG B 7 22.819 5.368 2.467 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.262 6.732 3.474 1.00 0.00 H new ATOM 0 H4' DG B 7 21.236 7.008 2.375 1.00 0.00 H new ATOM 0 H3' DG B 7 21.401 7.828 4.999 1.00 0.00 H new ATOM 0 H2' DG B 7 20.101 5.688 5.658 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.917 6.979 5.694 1.00 0.00 H new ATOM 0 H1' DG B 7 18.409 6.523 3.099 1.00 0.00 H new ATOM 0 H8 DG B 7 18.635 4.320 6.139 1.00 0.00 H new ATOM 0 H1 DG B 7 13.697 3.110 2.261 1.00 0.00 H new ATOM 0 H21 DG B 7 15.320 5.364 0.097 1.00 0.00 H new ATOM 0 H22 DG B 7 13.934 4.298 0.354 1.00 0.00 H new ATOM 483 P DT B 8 20.619 9.712 3.086 1.00 0.00 P ATOM 484 OP1 DT B 8 22.003 9.304 2.732 1.00 0.00 O ATOM 485 OP2 DT B 8 20.407 10.934 3.905 1.00 0.00 O ATOM 486 O5' DT B 8 19.791 9.863 1.720 1.00 0.00 O ATOM 487 C5' DT B 8 18.730 10.803 1.551 1.00 0.00 C ATOM 488 C4' DT B 8 17.795 10.347 0.442 1.00 0.00 C ATOM 489 O4' DT B 8 17.220 9.047 0.646 1.00 0.00 O ATOM 490 C3' DT B 8 16.614 11.230 0.079 1.00 0.00 C ATOM 491 O3' DT B 8 16.144 11.016 -1.238 1.00 0.00 O ATOM 492 C2' DT B 8 15.630 10.710 1.077 1.00 0.00 C ATOM 493 C1' DT B 8 15.815 9.215 0.922 1.00 0.00 C ATOM 494 N1 DT B 8 15.557 8.504 2.183 1.00 0.00 N ATOM 495 C2 DT B 8 14.618 7.501 2.271 1.00 0.00 C ATOM 496 O2 DT B 8 13.937 7.156 1.308 1.00 0.00 O ATOM 497 N3 DT B 8 14.498 6.926 3.528 1.00 0.00 N ATOM 498 C4 DT B 8 15.198 7.253 4.665 1.00 0.00 C ATOM 499 O4 DT B 8 14.992 6.658 5.722 1.00 0.00 O ATOM 500 C5 DT B 8 16.152 8.315 4.478 1.00 0.00 C ATOM 501 C7 DT B 8 16.993 8.830 5.621 1.00 0.00 C ATOM 502 C6 DT B 8 16.277 8.866 3.275 1.00 0.00 C ATOM 0 H5' DT B 8 19.139 11.784 1.311 1.00 0.00 H new ATOM 0 H5'' DT B 8 18.176 10.908 2.484 1.00 0.00 H new ATOM 0 H4' DT B 8 18.520 10.378 -0.372 1.00 0.00 H new ATOM 0 H3' DT B 8 16.825 12.299 0.103 1.00 0.00 H new ATOM 0 H2' DT B 8 15.852 11.049 2.089 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.611 11.024 0.852 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.384 11.609 -1.415 1.00 0.00 H new ATOM 0 H1' DT B 8 15.141 8.830 0.157 1.00 0.00 H new ATOM 0 H3 DT B 8 13.813 6.176 3.619 1.00 0.00 H new ATOM 0 H71 DT B 8 17.947 9.192 5.237 1.00 0.00 H new ATOM 0 H72 DT B 8 16.469 9.646 6.119 1.00 0.00 H new ATOM 0 H73 DT B 8 17.171 8.024 6.333 1.00 0.00 H new ATOM 0 H6 DT B 8 17.003 9.657 3.158 1.00 0.00 H new TER 516 DT B 8