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 68:sc= 1.05 USER MOD Single : A 8 DT C7 :methyl 150:sc= -3.76! (180deg=-3.76!) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 70:sc= 1.06 USER MOD Single : B 8 DT C7 :methyl 150:sc= -3.65 (180deg=-3.65) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.427 7.964 2.892 1.00 0.00 O ATOM 2 C5' DG A 1 7.848 8.046 2.807 1.00 0.00 C ATOM 3 C4' DG A 1 8.583 7.115 3.757 1.00 0.00 C ATOM 4 O4' DG A 1 9.982 7.340 3.477 1.00 0.00 O ATOM 5 C3' DG A 1 8.430 7.279 5.312 1.00 0.00 C ATOM 6 O3' DG A 1 7.398 6.495 5.933 1.00 0.00 O ATOM 7 C2' DG A 1 9.758 6.701 5.745 1.00 0.00 C ATOM 8 C1' DG A 1 10.543 7.504 4.769 1.00 0.00 C ATOM 9 N9 DG A 1 11.004 8.839 5.133 1.00 0.00 N ATOM 10 C8 DG A 1 11.739 9.065 6.239 1.00 0.00 C ATOM 11 N7 DG A 1 12.042 10.315 6.445 1.00 0.00 N ATOM 12 C5 DG A 1 11.446 10.970 5.376 1.00 0.00 C ATOM 13 C6 DG A 1 11.427 12.352 5.052 1.00 0.00 C ATOM 14 O6 DG A 1 11.947 13.280 5.667 1.00 0.00 O ATOM 15 N1 DG A 1 10.719 12.595 3.893 1.00 0.00 N ATOM 16 C2 DG A 1 10.102 11.635 3.134 1.00 0.00 C ATOM 17 N2 DG A 1 9.464 12.062 2.040 1.00 0.00 N ATOM 18 N3 DG A 1 10.108 10.328 3.421 1.00 0.00 N ATOM 19 C4 DG A 1 10.795 10.069 4.550 1.00 0.00 C ATOM 0 H5' DG A 1 8.155 9.072 3.012 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.153 7.820 1.785 1.00 0.00 H new ATOM 0 H4' DG A 1 8.148 6.134 3.565 1.00 0.00 H new ATOM 0 H3' DG A 1 8.174 8.304 5.581 1.00 0.00 H new ATOM 0 H2' DG A 1 10.009 6.902 6.786 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.840 5.624 5.599 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.130 8.318 3.756 1.00 0.00 H new ATOM 0 H1' DG A 1 11.545 7.075 4.778 1.00 0.00 H new ATOM 0 H8 DG A 1 12.052 8.272 6.902 1.00 0.00 H new ATOM 0 H1 DG A 1 10.650 13.562 3.577 1.00 0.00 H new ATOM 0 H21 DG A 1 8.986 11.394 1.435 1.00 0.00 H new ATOM 0 H22 DG A 1 9.455 13.056 1.810 1.00 0.00 H new ATOM 32 P DA A 2 5.826 6.536 5.576 1.00 0.00 P ATOM 33 OP1 DA A 2 5.473 7.940 5.246 1.00 0.00 O ATOM 34 OP2 DA A 2 5.092 5.866 6.675 1.00 0.00 O ATOM 35 O5' DA A 2 5.643 5.643 4.241 1.00 0.00 O ATOM 36 C5' DA A 2 5.521 4.210 4.192 1.00 0.00 C ATOM 37 C4' DA A 2 5.591 3.775 2.736 1.00 0.00 C ATOM 38 O4' DA A 2 6.767 4.277 2.140 1.00 0.00 O ATOM 39 C3' DA A 2 5.514 2.335 2.242 1.00 0.00 C ATOM 40 O3' DA A 2 4.900 2.298 0.928 1.00 0.00 O ATOM 41 C2' DA A 2 6.966 1.946 2.228 1.00 0.00 C ATOM 42 C1' DA A 2 7.714 3.234 1.908 1.00 0.00 C ATOM 43 N9 DA A 2 8.780 3.497 2.880 1.00 0.00 N ATOM 44 C8 DA A 2 8.870 3.134 4.214 1.00 0.00 C ATOM 45 N7 DA A 2 9.980 3.523 4.772 1.00 0.00 N ATOM 46 C5 DA A 2 10.658 4.173 3.763 1.00 0.00 C ATOM 47 C6 DA A 2 11.893 4.807 3.735 1.00 0.00 C ATOM 48 N6 DA A 2 12.661 4.897 4.826 1.00 0.00 N ATOM 49 N1 DA A 2 12.272 5.351 2.577 1.00 0.00 N ATOM 50 C2 DA A 2 11.469 5.271 1.509 1.00 0.00 C ATOM 51 N3 DA A 2 10.274 4.696 1.414 1.00 0.00 N ATOM 52 C4 DA A 2 9.934 4.163 2.595 1.00 0.00 C ATOM 0 H5' DA A 2 4.578 3.894 4.638 1.00 0.00 H new ATOM 0 H5'' DA A 2 6.319 3.741 4.767 1.00 0.00 H new ATOM 0 H4' DA A 2 4.616 4.176 2.458 1.00 0.00 H new ATOM 0 H3' DA A 2 4.908 1.660 2.846 1.00 0.00 H new ATOM 0 H2' DA A 2 7.275 1.538 3.191 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.162 1.179 1.479 1.00 0.00 H new ATOM 0 H1' DA A 2 8.129 3.171 0.902 1.00 0.00 H new ATOM 0 H8 DA A 2 8.100 2.586 4.736 1.00 0.00 H new ATOM 0 H61 DA A 2 13.564 5.369 4.776 1.00 0.00 H new ATOM 0 H62 DA A 2 12.344 4.494 5.708 1.00 0.00 H new ATOM 0 H2 DA A 2 11.840 5.734 0.607 1.00 0.00 H new ATOM 64 P DG A 3 5.474 1.805 -0.517 1.00 0.00 P ATOM 65 OP1 DG A 3 4.307 1.623 -1.417 1.00 0.00 O ATOM 66 OP2 DG A 3 6.391 0.658 -0.285 1.00 0.00 O ATOM 67 O5' DG A 3 6.350 3.032 -1.096 1.00 0.00 O ATOM 68 C5' DG A 3 6.669 3.267 -2.486 1.00 0.00 C ATOM 69 C4' DG A 3 8.024 2.681 -2.874 1.00 0.00 C ATOM 70 O4' DG A 3 8.938 3.085 -1.860 1.00 0.00 O ATOM 71 C3' DG A 3 8.148 1.166 -2.791 1.00 0.00 C ATOM 72 O3' DG A 3 7.634 0.445 -3.921 1.00 0.00 O ATOM 73 C2' DG A 3 9.646 0.985 -2.607 1.00 0.00 C ATOM 74 C1' DG A 3 10.129 2.375 -2.189 1.00 0.00 C ATOM 75 N9 DG A 3 10.927 2.370 -0.980 1.00 0.00 N ATOM 76 C8 DG A 3 12.071 3.050 -0.711 1.00 0.00 C ATOM 77 N7 DG A 3 12.529 2.843 0.493 1.00 0.00 N ATOM 78 C5 DG A 3 11.614 1.961 1.042 1.00 0.00 C ATOM 79 C6 DG A 3 11.569 1.369 2.315 1.00 0.00 C ATOM 80 O6 DG A 3 12.375 1.550 3.218 1.00 0.00 O ATOM 81 N1 DG A 3 10.472 0.529 2.454 1.00 0.00 N ATOM 82 C2 DG A 3 9.540 0.305 1.469 1.00 0.00 C ATOM 83 N2 DG A 3 8.540 -0.537 1.700 1.00 0.00 N ATOM 84 N3 DG A 3 9.572 0.861 0.274 1.00 0.00 N ATOM 85 C4 DG A 3 10.628 1.666 0.136 1.00 0.00 C ATOM 0 H5' DG A 3 6.670 4.340 -2.680 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.893 2.830 -3.114 1.00 0.00 H new ATOM 0 H4' DG A 3 8.189 3.010 -3.900 1.00 0.00 H new ATOM 0 H3' DG A 3 7.540 0.749 -1.988 1.00 0.00 H new ATOM 0 H2' DG A 3 9.869 0.238 -1.845 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.126 0.654 -3.528 1.00 0.00 H new ATOM 0 H1' DG A 3 10.737 2.794 -2.991 1.00 0.00 H new ATOM 0 H8 DG A 3 12.555 3.700 -1.425 1.00 0.00 H new ATOM 0 H1 DG A 3 10.350 0.047 3.345 1.00 0.00 H new ATOM 0 H21 DG A 3 7.842 -0.711 0.976 1.00 0.00 H new ATOM 0 H22 DG A 3 8.469 -1.010 2.601 1.00 0.00 H new ATOM 97 P DC A 4 8.080 0.767 -5.438 1.00 0.00 P ATOM 98 OP1 DC A 4 7.645 2.145 -5.786 1.00 0.00 O ATOM 99 OP2 DC A 4 7.676 -0.376 -6.295 1.00 0.00 O ATOM 100 O5' DC A 4 9.668 0.742 -5.297 1.00 0.00 O ATOM 101 C5' DC A 4 10.608 1.647 -5.875 1.00 0.00 C ATOM 102 C4' DC A 4 11.989 1.326 -5.322 1.00 0.00 C ATOM 103 O4' DC A 4 12.205 1.610 -3.917 1.00 0.00 O ATOM 104 C3' DC A 4 12.220 -0.181 -5.283 1.00 0.00 C ATOM 105 O3' DC A 4 12.324 -1.065 -6.391 1.00 0.00 O ATOM 106 C2' DC A 4 13.265 -0.415 -4.225 1.00 0.00 C ATOM 107 C1' DC A 4 13.418 0.933 -3.505 1.00 0.00 C ATOM 108 N1 DC A 4 13.500 0.605 -2.070 1.00 0.00 N ATOM 109 C2 DC A 4 14.568 0.992 -1.245 1.00 0.00 C ATOM 110 O2 DC A 4 15.502 1.698 -1.630 1.00 0.00 O ATOM 111 N3 DC A 4 14.561 0.566 0.038 1.00 0.00 N ATOM 112 C4 DC A 4 13.567 -0.198 0.501 1.00 0.00 C ATOM 113 N4 DC A 4 13.611 -0.592 1.769 1.00 0.00 N ATOM 114 C5 DC A 4 12.487 -0.589 -0.324 1.00 0.00 C ATOM 115 C6 DC A 4 12.495 -0.168 -1.570 1.00 0.00 C ATOM 0 H5' DC A 4 10.336 2.676 -5.641 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.604 1.555 -6.961 1.00 0.00 H new ATOM 0 H4' DC A 4 12.618 1.929 -5.977 1.00 0.00 H new ATOM 0 H3' DC A 4 11.201 -0.530 -5.114 1.00 0.00 H new ATOM 0 H2' DC A 4 12.956 -1.198 -3.533 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.209 -0.735 -4.667 1.00 0.00 H new ATOM 0 H1' DC A 4 14.286 1.556 -3.722 1.00 0.00 H new ATOM 0 H41 DC A 4 12.865 -1.176 2.148 1.00 0.00 H new ATOM 0 H42 DC A 4 14.391 -0.311 2.364 1.00 0.00 H new ATOM 0 H5 DC A 4 11.687 -1.209 0.054 1.00 0.00 H new ATOM 0 H6 DC A 4 11.677 -0.444 -2.219 1.00 0.00 H new ATOM 127 P DA A 5 11.557 -2.483 -6.266 1.00 0.00 P ATOM 128 OP1 DA A 5 12.460 -3.532 -6.806 1.00 0.00 O ATOM 129 OP2 DA A 5 10.202 -2.313 -6.851 1.00 0.00 O ATOM 130 O5' DA A 5 11.383 -2.758 -4.673 1.00 0.00 O ATOM 131 C5' DA A 5 10.511 -3.776 -4.159 1.00 0.00 C ATOM 132 C4' DA A 5 11.146 -4.579 -3.023 1.00 0.00 C ATOM 133 O4' DA A 5 12.458 -4.986 -3.484 1.00 0.00 O ATOM 134 C3' DA A 5 11.368 -4.074 -1.604 1.00 0.00 C ATOM 135 O3' DA A 5 11.591 -5.088 -0.598 1.00 0.00 O ATOM 136 C2' DA A 5 12.680 -3.406 -1.796 1.00 0.00 C ATOM 137 C1' DA A 5 13.434 -4.465 -2.557 1.00 0.00 C ATOM 138 N9 DA A 5 14.557 -3.751 -3.156 1.00 0.00 N ATOM 139 C8 DA A 5 14.826 -3.435 -4.460 1.00 0.00 C ATOM 140 N7 DA A 5 15.940 -2.754 -4.608 1.00 0.00 N ATOM 141 C5 DA A 5 16.422 -2.619 -3.309 1.00 0.00 C ATOM 142 C6 DA A 5 17.560 -2.004 -2.756 1.00 0.00 C ATOM 143 N6 DA A 5 18.487 -1.365 -3.476 1.00 0.00 N ATOM 144 N1 DA A 5 17.711 -2.071 -1.421 1.00 0.00 N ATOM 145 C2 DA A 5 16.789 -2.708 -0.684 1.00 0.00 C ATOM 146 N3 DA A 5 15.689 -3.319 -1.092 1.00 0.00 N ATOM 147 C4 DA A 5 15.574 -3.231 -2.422 1.00 0.00 C ATOM 0 H5' DA A 5 10.234 -4.454 -4.967 1.00 0.00 H new ATOM 0 H5'' DA A 5 9.591 -3.314 -3.802 1.00 0.00 H new ATOM 0 H4' DA A 5 10.347 -5.302 -2.861 1.00 0.00 H new ATOM 0 H3' DA A 5 10.505 -3.510 -1.250 1.00 0.00 H new ATOM 0 H2' DA A 5 12.591 -2.478 -2.360 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.159 -3.159 -0.849 1.00 0.00 H new ATOM 0 H1' DA A 5 13.847 -5.308 -2.002 1.00 0.00 H new ATOM 0 H8 DA A 5 14.187 -3.717 -5.284 1.00 0.00 H new ATOM 0 H61 DA A 5 19.290 -0.940 -3.012 1.00 0.00 H new ATOM 0 H62 DA A 5 18.392 -1.302 -4.490 1.00 0.00 H new ATOM 0 H2 DA A 5 16.968 -2.724 0.381 1.00 0.00 H new ATOM 159 P DG A 6 11.572 -6.700 -0.740 1.00 0.00 P ATOM 160 OP1 DG A 6 11.960 -7.266 0.578 1.00 0.00 O ATOM 161 OP2 DG A 6 12.343 -7.106 -1.939 1.00 0.00 O ATOM 162 O5' DG A 6 10.022 -7.033 -1.024 1.00 0.00 O ATOM 163 C5' DG A 6 9.240 -7.876 -0.176 1.00 0.00 C ATOM 164 C4' DG A 6 8.682 -7.112 1.007 1.00 0.00 C ATOM 165 O4' DG A 6 9.742 -6.454 1.711 1.00 0.00 O ATOM 166 C3' DG A 6 7.629 -6.025 0.790 1.00 0.00 C ATOM 167 O3' DG A 6 6.628 -6.041 1.811 1.00 0.00 O ATOM 168 C2' DG A 6 8.446 -4.804 1.065 1.00 0.00 C ATOM 169 C1' DG A 6 9.240 -5.261 2.306 1.00 0.00 C ATOM 170 N9 DG A 6 10.369 -4.393 2.579 1.00 0.00 N ATOM 171 C8 DG A 6 10.890 -3.522 1.683 1.00 0.00 C ATOM 172 N7 DG A 6 11.859 -2.806 2.123 1.00 0.00 N ATOM 173 C5 DG A 6 11.993 -3.235 3.422 1.00 0.00 C ATOM 174 C6 DG A 6 12.894 -2.798 4.370 1.00 0.00 C ATOM 175 O6 DG A 6 13.721 -1.931 4.176 1.00 0.00 O ATOM 176 N1 DG A 6 12.762 -3.440 5.576 1.00 0.00 N ATOM 177 C2 DG A 6 11.837 -4.414 5.837 1.00 0.00 C ATOM 178 N2 DG A 6 11.873 -4.913 7.081 1.00 0.00 N ATOM 179 N3 DG A 6 10.946 -4.857 4.932 1.00 0.00 N ATOM 180 C4 DG A 6 11.084 -4.220 3.745 1.00 0.00 C ATOM 0 H5' DG A 6 9.853 -8.704 0.181 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.421 -8.310 -0.749 1.00 0.00 H new ATOM 0 H4' DG A 6 8.172 -7.921 1.531 1.00 0.00 H new ATOM 0 H3' DG A 6 7.132 -6.113 -0.176 1.00 0.00 H new ATOM 0 H2' DG A 6 9.097 -4.546 0.230 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.827 -3.930 1.269 1.00 0.00 H new ATOM 0 H1' DG A 6 8.683 -5.313 3.241 1.00 0.00 H new ATOM 0 H8 DG A 6 10.517 -3.436 0.673 1.00 0.00 H new ATOM 0 H1 DG A 6 13.396 -3.173 6.329 1.00 0.00 H new ATOM 0 H21 DG A 6 11.216 -5.643 7.357 1.00 0.00 H new ATOM 0 H22 DG A 6 12.557 -4.562 7.751 1.00 0.00 H new ATOM 192 P DG A 7 5.615 -7.260 2.034 1.00 0.00 P ATOM 193 OP1 DG A 7 6.402 -8.511 2.187 1.00 0.00 O ATOM 194 OP2 DG A 7 4.560 -7.178 0.994 1.00 0.00 O ATOM 195 O5' DG A 7 4.949 -6.913 3.445 1.00 0.00 O ATOM 196 C5' DG A 7 5.440 -7.318 4.728 1.00 0.00 C ATOM 197 C4' DG A 7 5.886 -6.123 5.554 1.00 0.00 C ATOM 198 O4' DG A 7 7.199 -5.567 5.255 1.00 0.00 O ATOM 199 C3' DG A 7 4.918 -4.920 5.531 1.00 0.00 C ATOM 200 O3' DG A 7 4.710 -4.363 6.830 1.00 0.00 O ATOM 201 C2' DG A 7 5.841 -3.960 4.773 1.00 0.00 C ATOM 202 C1' DG A 7 7.085 -4.185 5.632 1.00 0.00 C ATOM 203 N9 DG A 7 8.129 -3.214 5.284 1.00 0.00 N ATOM 204 C8 DG A 7 8.300 -2.627 4.062 1.00 0.00 C ATOM 205 N7 DG A 7 9.257 -1.758 4.041 1.00 0.00 N ATOM 206 C5 DG A 7 9.764 -1.753 5.311 1.00 0.00 C ATOM 207 C6 DG A 7 10.819 -0.986 5.821 1.00 0.00 C ATOM 208 O6 DG A 7 11.463 -0.164 5.177 1.00 0.00 O ATOM 209 N1 DG A 7 11.059 -1.249 7.156 1.00 0.00 N ATOM 210 C2 DG A 7 10.337 -2.162 7.898 1.00 0.00 C ATOM 211 N2 DG A 7 10.671 -2.322 9.183 1.00 0.00 N ATOM 212 N3 DG A 7 9.322 -2.900 7.416 1.00 0.00 N ATOM 213 C4 DG A 7 9.090 -2.646 6.115 1.00 0.00 C ATOM 0 H5' DG A 7 6.276 -8.005 4.599 1.00 0.00 H new ATOM 0 H5'' DG A 7 4.661 -7.861 5.263 1.00 0.00 H new ATOM 0 H4' DG A 7 5.910 -6.603 6.533 1.00 0.00 H new ATOM 0 H3' DG A 7 3.925 -5.138 5.137 1.00 0.00 H new ATOM 0 H2' DG A 7 5.984 -4.236 3.728 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.491 -2.928 4.785 1.00 0.00 H new ATOM 0 H1' DG A 7 7.109 -4.030 6.711 1.00 0.00 H new ATOM 0 H8 DG A 7 7.696 -2.865 3.199 1.00 0.00 H new ATOM 0 H1 DG A 7 11.812 -0.740 7.619 1.00 0.00 H new ATOM 0 H21 DG A 7 10.161 -2.987 9.764 1.00 0.00 H new ATOM 0 H22 DG A 7 11.436 -1.779 9.582 1.00 0.00 H new ATOM 225 P DT A 8 3.414 -4.635 7.726 1.00 0.00 P ATOM 226 OP1 DT A 8 3.113 -6.090 7.692 1.00 0.00 O ATOM 227 OP2 DT A 8 2.366 -3.655 7.347 1.00 0.00 O ATOM 228 O5' DT A 8 3.962 -4.250 9.184 1.00 0.00 O ATOM 229 C5' DT A 8 4.760 -5.190 9.895 1.00 0.00 C ATOM 230 C4' DT A 8 5.590 -4.583 11.006 1.00 0.00 C ATOM 231 O4' DT A 8 6.706 -3.804 10.573 1.00 0.00 O ATOM 232 C3' DT A 8 4.975 -3.807 12.163 1.00 0.00 C ATOM 233 O3' DT A 8 5.736 -3.898 13.352 1.00 0.00 O ATOM 234 C2' DT A 8 5.091 -2.430 11.591 1.00 0.00 C ATOM 235 C1' DT A 8 6.501 -2.455 11.008 1.00 0.00 C ATOM 236 N1 DT A 8 6.665 -1.700 9.760 1.00 0.00 N ATOM 237 C2 DT A 8 7.777 -0.909 9.551 1.00 0.00 C ATOM 238 O2 DT A 8 8.667 -0.784 10.390 1.00 0.00 O ATOM 239 N3 DT A 8 7.807 -0.262 8.328 1.00 0.00 N ATOM 240 C4 DT A 8 6.871 -0.318 7.333 1.00 0.00 C ATOM 241 O4 DT A 8 7.031 0.314 6.291 1.00 0.00 O ATOM 242 C5 DT A 8 5.747 -1.160 7.637 1.00 0.00 C ATOM 243 C7 DT A 8 4.614 -1.297 6.665 1.00 0.00 C ATOM 244 C6 DT A 8 5.701 -1.798 8.803 1.00 0.00 C ATOM 0 H5' DT A 8 5.425 -5.691 9.192 1.00 0.00 H new ATOM 0 H5'' DT A 8 4.110 -5.955 10.319 1.00 0.00 H new ATOM 0 H4' DT A 8 5.845 -5.559 11.420 1.00 0.00 H new ATOM 0 H3' DT A 8 3.981 -4.145 12.457 1.00 0.00 H new ATOM 0 H2' DT A 8 4.336 -2.239 10.828 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.977 -1.659 12.353 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.298 -3.382 14.061 1.00 0.00 H new ATOM 0 H1' DT A 8 7.163 -2.048 11.772 1.00 0.00 H new ATOM 0 H3 DT A 8 8.622 0.325 8.148 1.00 0.00 H new ATOM 0 H71 DT A 8 4.165 -2.285 6.766 1.00 0.00 H new ATOM 0 H72 DT A 8 3.863 -0.535 6.872 1.00 0.00 H new ATOM 0 H73 DT A 8 4.989 -1.171 5.649 1.00 0.00 H new ATOM 0 H6 DT A 8 4.849 -2.431 9.003 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 9.663 6.463 12.208 1.00 0.00 O ATOM 260 C5' DG B 1 9.176 5.194 11.777 1.00 0.00 C ATOM 261 C4' DG B 1 9.397 4.912 10.300 1.00 0.00 C ATOM 262 O4' DG B 1 8.866 3.583 10.100 1.00 0.00 O ATOM 263 C3' DG B 1 8.716 5.810 9.205 1.00 0.00 C ATOM 264 O3' DG B 1 9.489 6.924 8.728 1.00 0.00 O ATOM 265 C2' DG B 1 8.637 4.801 8.081 1.00 0.00 C ATOM 266 C1' DG B 1 8.058 3.734 8.943 1.00 0.00 C ATOM 267 N9 DG B 1 6.613 3.651 9.122 1.00 0.00 N ATOM 268 C8 DG B 1 5.768 3.566 8.076 1.00 0.00 C ATOM 269 N7 DG B 1 4.506 3.535 8.398 1.00 0.00 N ATOM 270 C5 DG B 1 4.527 3.610 9.785 1.00 0.00 C ATOM 271 C6 DG B 1 3.451 3.618 10.712 1.00 0.00 C ATOM 272 O6 DG B 1 2.247 3.560 10.473 1.00 0.00 O ATOM 273 N1 DG B 1 3.900 3.703 12.013 1.00 0.00 N ATOM 274 C2 DG B 1 5.217 3.772 12.387 1.00 0.00 C ATOM 275 N2 DG B 1 5.459 3.848 13.699 1.00 0.00 N ATOM 276 N3 DG B 1 6.244 3.767 11.531 1.00 0.00 N ATOM 277 C4 DG B 1 5.828 3.683 10.252 1.00 0.00 C ATOM 0 H5' DG B 1 8.109 5.135 11.991 1.00 0.00 H new ATOM 0 H5'' DG B 1 9.662 4.413 12.361 1.00 0.00 H new ATOM 0 H4' DG B 1 10.461 5.095 10.147 1.00 0.00 H new ATOM 0 H3' DG B 1 7.803 6.271 9.581 1.00 0.00 H new ATOM 0 H2' DG B 1 7.990 5.105 7.258 1.00 0.00 H new ATOM 0 H2'' DG B 1 9.604 4.544 7.648 1.00 0.00 H new ATOM 0 HO5' DG B 1 9.102 7.173 11.832 1.00 0.00 H new ATOM 0 H1' DG B 1 8.112 2.821 8.350 1.00 0.00 H new ATOM 0 H8 DG B 1 6.110 3.527 7.052 1.00 0.00 H new ATOM 0 H1 DG B 1 3.199 3.715 12.754 1.00 0.00 H new ATOM 0 H21 DG B 1 6.419 3.902 14.038 1.00 0.00 H new ATOM 0 H22 DG B 1 4.683 3.852 14.361 1.00 0.00 H new ATOM 290 P DA B 2 10.083 8.124 9.626 1.00 0.00 P ATOM 291 OP1 DA B 2 9.096 8.422 10.694 1.00 0.00 O ATOM 292 OP2 DA B 2 10.483 9.219 8.711 1.00 0.00 O ATOM 293 O5' DA B 2 11.423 7.546 10.323 1.00 0.00 O ATOM 294 C5' DA B 2 12.727 7.476 9.720 1.00 0.00 C ATOM 295 C4' DA B 2 13.633 6.669 10.637 1.00 0.00 C ATOM 296 O4' DA B 2 13.050 5.412 10.905 1.00 0.00 O ATOM 297 C3' DA B 2 15.098 6.344 10.366 1.00 0.00 C ATOM 298 O3' DA B 2 15.820 6.243 11.621 1.00 0.00 O ATOM 299 C2' DA B 2 14.984 5.032 9.643 1.00 0.00 C ATOM 300 C1' DA B 2 13.748 4.366 10.230 1.00 0.00 C ATOM 301 N9 DA B 2 12.817 3.933 9.184 1.00 0.00 N ATOM 302 C8 DA B 2 12.601 4.458 7.919 1.00 0.00 C ATOM 303 N7 DA B 2 11.701 3.801 7.244 1.00 0.00 N ATOM 304 C5 DA B 2 11.302 2.795 8.098 1.00 0.00 C ATOM 305 C6 DA B 2 10.372 1.775 7.957 1.00 0.00 C ATOM 306 N6 DA B 2 9.640 1.640 6.847 1.00 0.00 N ATOM 307 N1 DA B 2 10.216 0.947 8.992 1.00 0.00 N ATOM 308 C2 DA B 2 10.941 1.124 10.102 1.00 0.00 C ATOM 309 N3 DA B 2 11.854 2.057 10.353 1.00 0.00 N ATOM 310 C4 DA B 2 11.981 2.863 9.292 1.00 0.00 C ATOM 0 H5' DA B 2 13.131 8.477 9.572 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.667 7.008 8.737 1.00 0.00 H new ATOM 0 H4' DA B 2 13.697 7.427 11.418 1.00 0.00 H new ATOM 0 H3' DA B 2 15.649 7.090 9.793 1.00 0.00 H new ATOM 0 H2' DA B 2 14.879 5.181 8.568 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.872 4.419 9.795 1.00 0.00 H new ATOM 0 H1' DA B 2 14.052 3.515 10.839 1.00 0.00 H new ATOM 0 H8 DA B 2 13.124 5.321 7.534 1.00 0.00 H new ATOM 0 H61 DA B 2 8.964 0.880 6.771 1.00 0.00 H new ATOM 0 H62 DA B 2 9.758 2.297 6.076 1.00 0.00 H new ATOM 0 H2 DA B 2 10.761 0.417 10.898 1.00 0.00 H new ATOM 322 P DG B 3 16.613 4.996 12.312 1.00 0.00 P ATOM 323 OP1 DG B 3 17.480 5.559 13.378 1.00 0.00 O ATOM 324 OP2 DG B 3 17.236 4.187 11.230 1.00 0.00 O ATOM 325 O5' DG B 3 15.487 4.088 13.027 1.00 0.00 O ATOM 326 C5' DG B 3 15.706 3.165 14.119 1.00 0.00 C ATOM 327 C4' DG B 3 15.936 1.737 13.632 1.00 0.00 C ATOM 328 O4' DG B 3 14.914 1.472 12.677 1.00 0.00 O ATOM 329 C3' DG B 3 17.184 1.507 12.793 1.00 0.00 C ATOM 330 O3' DG B 3 18.400 1.335 13.535 1.00 0.00 O ATOM 331 C2' DG B 3 16.801 0.272 11.993 1.00 0.00 C ATOM 332 C1' DG B 3 15.280 0.202 12.147 1.00 0.00 C ATOM 333 N9 DG B 3 14.578 0.089 10.885 1.00 0.00 N ATOM 334 C8 DG B 3 13.523 -0.706 10.565 1.00 0.00 C ATOM 335 N7 DG B 3 13.104 -0.547 9.340 1.00 0.00 N ATOM 336 C5 DG B 3 13.954 0.419 8.828 1.00 0.00 C ATOM 337 C6 DG B 3 14.003 1.007 7.554 1.00 0.00 C ATOM 338 O6 DG B 3 13.252 0.759 6.620 1.00 0.00 O ATOM 339 N1 DG B 3 15.028 1.940 7.455 1.00 0.00 N ATOM 340 C2 DG B 3 15.888 2.253 8.481 1.00 0.00 C ATOM 341 N2 DG B 3 16.850 3.144 8.271 1.00 0.00 N ATOM 342 N3 DG B 3 15.845 1.709 9.682 1.00 0.00 N ATOM 343 C4 DG B 3 14.863 0.810 9.777 1.00 0.00 C ATOM 0 H5' DG B 3 14.845 3.185 14.787 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.568 3.492 14.701 1.00 0.00 H new ATOM 0 H4' DG B 3 15.984 1.136 14.540 1.00 0.00 H new ATOM 0 H3' DG B 3 17.435 2.378 12.188 1.00 0.00 H new ATOM 0 H2' DG B 3 17.094 0.365 10.947 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.285 -0.624 12.382 1.00 0.00 H new ATOM 0 H1' DG B 3 15.025 -0.667 12.753 1.00 0.00 H new ATOM 0 H8 DG B 3 13.075 -1.402 11.258 1.00 0.00 H new ATOM 0 H1 DG B 3 15.150 2.423 6.565 1.00 0.00 H new ATOM 0 H21 DG B 3 17.495 3.385 9.024 1.00 0.00 H new ATOM 0 H22 DG B 3 16.944 3.587 7.357 1.00 0.00 H new ATOM 355 P DC B 4 18.552 0.252 14.721 1.00 0.00 P ATOM 356 OP1 DC B 4 17.620 0.609 15.823 1.00 0.00 O ATOM 357 OP2 DC B 4 19.998 0.068 15.005 1.00 0.00 O ATOM 358 O5' DC B 4 18.020 -1.067 13.998 1.00 0.00 O ATOM 359 C5' DC B 4 17.154 -2.065 14.534 1.00 0.00 C ATOM 360 C4' DC B 4 16.790 -3.035 13.419 1.00 0.00 C ATOM 361 O4' DC B 4 15.945 -2.517 12.361 1.00 0.00 O ATOM 362 C3' DC B 4 18.014 -3.378 12.577 1.00 0.00 C ATOM 363 O3' DC B 4 19.169 -4.095 12.991 1.00 0.00 O ATOM 364 C2' DC B 4 17.491 -3.803 11.232 1.00 0.00 C ATOM 365 C1' DC B 4 15.997 -3.447 11.252 1.00 0.00 C ATOM 366 N1 DC B 4 15.715 -2.863 9.927 1.00 0.00 N ATOM 367 C2 DC B 4 14.730 -3.355 9.056 1.00 0.00 C ATOM 368 O2 DC B 4 13.968 -4.277 9.349 1.00 0.00 O ATOM 369 N3 DC B 4 14.619 -2.778 7.839 1.00 0.00 N ATOM 370 C4 DC B 4 15.423 -1.771 7.481 1.00 0.00 C ATOM 371 N4 DC B 4 15.274 -1.241 6.272 1.00 0.00 N ATOM 372 C5 DC B 4 16.415 -1.269 8.355 1.00 0.00 C ATOM 373 C6 DC B 4 16.516 -1.831 9.542 1.00 0.00 C ATOM 0 H5' DC B 4 16.255 -1.606 14.945 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.645 -2.594 15.351 1.00 0.00 H new ATOM 0 H4' DC B 4 16.314 -3.833 13.989 1.00 0.00 H new ATOM 0 H3' DC B 4 18.574 -2.446 12.661 1.00 0.00 H new ATOM 0 H2' DC B 4 18.009 -3.284 10.426 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.640 -4.871 11.071 1.00 0.00 H new ATOM 0 H1' DC B 4 15.263 -4.240 11.395 1.00 0.00 H new ATOM 0 H41 DC B 4 15.875 -0.472 5.975 1.00 0.00 H new ATOM 0 H42 DC B 4 14.559 -1.603 5.641 1.00 0.00 H new ATOM 0 H5 DC B 4 17.064 -0.457 8.061 1.00 0.00 H new ATOM 0 H6 DC B 4 17.259 -1.461 10.233 1.00 0.00 H new ATOM 385 P DA B 5 20.600 -3.519 12.501 1.00 0.00 P ATOM 386 OP1 DA B 5 21.432 -4.676 12.085 1.00 0.00 O ATOM 387 OP2 DA B 5 21.098 -2.603 13.559 1.00 0.00 O ATOM 388 O5' DA B 5 20.292 -2.632 11.175 1.00 0.00 O ATOM 389 C5' DA B 5 21.260 -1.734 10.609 1.00 0.00 C ATOM 390 C4' DA B 5 21.331 -1.825 9.084 1.00 0.00 C ATOM 391 O4' DA B 5 21.444 -3.233 8.758 1.00 0.00 O ATOM 392 C3' DA B 5 20.285 -1.284 8.120 1.00 0.00 C ATOM 393 O3' DA B 5 20.718 -1.102 6.752 1.00 0.00 O ATOM 394 C2' DA B 5 19.363 -2.446 8.096 1.00 0.00 C ATOM 395 C1' DA B 5 20.335 -3.581 7.905 1.00 0.00 C ATOM 396 N9 DA B 5 19.585 -4.771 8.296 1.00 0.00 N ATOM 397 C8 DA B 5 19.717 -5.598 9.378 1.00 0.00 C ATOM 398 N7 DA B 5 18.828 -6.565 9.400 1.00 0.00 N ATOM 399 C5 DA B 5 18.068 -6.347 8.255 1.00 0.00 C ATOM 400 C6 DA B 5 16.966 -7.005 7.681 1.00 0.00 C ATOM 401 N6 DA B 5 16.389 -8.089 8.207 1.00 0.00 N ATOM 402 N1 DA B 5 16.472 -6.501 6.535 1.00 0.00 N ATOM 403 C2 DA B 5 17.040 -5.413 5.995 1.00 0.00 C ATOM 404 N3 DA B 5 18.072 -4.717 6.441 1.00 0.00 N ATOM 405 C4 DA B 5 18.534 -5.246 7.579 1.00 0.00 C ATOM 0 H5' DA B 5 22.242 -1.954 11.028 1.00 0.00 H new ATOM 0 H5'' DA B 5 21.013 -0.712 10.896 1.00 0.00 H new ATOM 0 H4' DA B 5 22.152 -1.129 8.910 1.00 0.00 H new ATOM 0 H3' DA B 5 19.931 -0.303 8.438 1.00 0.00 H new ATOM 0 H2' DA B 5 18.795 -2.541 9.022 1.00 0.00 H new ATOM 0 H2'' DA B 5 18.640 -2.382 7.283 1.00 0.00 H new ATOM 0 H1' DA B 5 20.730 -3.763 6.906 1.00 0.00 H new ATOM 0 H8 DA B 5 20.475 -5.469 10.137 1.00 0.00 H new ATOM 0 H61 DA B 5 15.591 -8.519 7.740 1.00 0.00 H new ATOM 0 H62 DA B 5 16.747 -8.486 9.076 1.00 0.00 H new ATOM 0 H2 DA B 5 16.597 -5.059 5.076 1.00 0.00 H new ATOM 417 P DG B 6 22.182 -1.325 6.099 1.00 0.00 P ATOM 418 OP1 DG B 6 22.056 -1.090 4.637 1.00 0.00 O ATOM 419 OP2 DG B 6 22.746 -2.617 6.561 1.00 0.00 O ATOM 420 O5' DG B 6 23.067 -0.149 6.750 1.00 0.00 O ATOM 421 C5' DG B 6 23.727 0.851 5.970 1.00 0.00 C ATOM 422 C4' DG B 6 22.793 1.985 5.611 1.00 0.00 C ATOM 423 O4' DG B 6 21.620 1.472 4.969 1.00 0.00 O ATOM 424 C3' DG B 6 22.260 2.914 6.703 1.00 0.00 C ATOM 425 O3' DG B 6 22.203 4.274 6.267 1.00 0.00 O ATOM 426 C2' DG B 6 20.835 2.465 6.763 1.00 0.00 C ATOM 427 C1' DG B 6 20.514 2.323 5.261 1.00 0.00 C ATOM 428 N9 DG B 6 19.300 1.563 5.033 1.00 0.00 N ATOM 429 C8 DG B 6 18.715 0.772 5.963 1.00 0.00 C ATOM 430 N7 DG B 6 17.620 0.218 5.591 1.00 0.00 N ATOM 431 C5 DG B 6 17.462 0.679 4.307 1.00 0.00 C ATOM 432 C6 DG B 6 16.440 0.397 3.424 1.00 0.00 C ATOM 433 O6 DG B 6 15.497 -0.323 3.682 1.00 0.00 O ATOM 434 N1 DG B 6 16.585 1.023 2.213 1.00 0.00 N ATOM 435 C2 DG B 6 17.625 1.849 1.888 1.00 0.00 C ATOM 436 N2 DG B 6 17.578 2.364 0.651 1.00 0.00 N ATOM 437 N3 DG B 6 18.635 2.144 2.730 1.00 0.00 N ATOM 438 C4 DG B 6 18.485 1.520 3.923 1.00 0.00 C ATOM 0 H5' DG B 6 24.121 0.401 5.059 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.579 1.243 6.526 1.00 0.00 H new ATOM 0 H4' DG B 6 23.461 2.593 5.000 1.00 0.00 H new ATOM 0 H3' DG B 6 22.859 2.873 7.613 1.00 0.00 H new ATOM 0 H2' DG B 6 20.720 1.524 7.301 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.192 3.194 7.256 1.00 0.00 H new ATOM 0 H1' DG B 6 20.381 3.253 4.708 1.00 0.00 H new ATOM 0 H8 DG B 6 19.139 0.619 6.945 1.00 0.00 H new ATOM 0 H1 DG B 6 15.868 0.861 1.506 1.00 0.00 H new ATOM 0 H21 DG B 6 18.317 2.990 0.331 1.00 0.00 H new ATOM 0 H22 DG B 6 16.803 2.130 0.030 1.00 0.00 H new ATOM 450 P DG B 7 23.499 5.132 5.888 1.00 0.00 P ATOM 451 OP1 DG B 7 24.284 4.389 4.869 1.00 0.00 O ATOM 452 OP2 DG B 7 24.155 5.560 7.151 1.00 0.00 O ATOM 453 O5' DG B 7 22.875 6.428 5.191 1.00 0.00 O ATOM 454 C5' DG B 7 22.590 6.575 3.795 1.00 0.00 C ATOM 455 C4' DG B 7 21.097 6.711 3.545 1.00 0.00 C ATOM 456 O4' DG B 7 20.312 5.483 3.553 1.00 0.00 O ATOM 457 C3' DG B 7 20.363 7.670 4.509 1.00 0.00 C ATOM 458 O3' DG B 7 19.453 8.536 3.824 1.00 0.00 O ATOM 459 C2' DG B 7 19.522 6.605 5.218 1.00 0.00 C ATOM 460 C1' DG B 7 19.002 5.913 3.960 1.00 0.00 C ATOM 461 N9 DG B 7 17.958 4.940 4.306 1.00 0.00 N ATOM 462 C8 DG B 7 17.854 4.266 5.490 1.00 0.00 C ATOM 463 N7 DG B 7 16.804 3.515 5.562 1.00 0.00 N ATOM 464 C5 DG B 7 16.161 3.684 4.367 1.00 0.00 C ATOM 465 C6 DG B 7 14.967 3.094 3.933 1.00 0.00 C ATOM 466 O6 DG B 7 14.291 2.311 4.593 1.00 0.00 O ATOM 467 N1 DG B 7 14.617 3.498 2.658 1.00 0.00 N ATOM 468 C2 DG B 7 15.361 4.386 1.907 1.00 0.00 C ATOM 469 N2 DG B 7 14.909 4.697 0.687 1.00 0.00 N ATOM 470 N3 DG B 7 16.504 4.960 2.318 1.00 0.00 N ATOM 471 C4 DG B 7 16.848 4.563 3.557 1.00 0.00 C ATOM 0 H5' DG B 7 22.974 5.712 3.251 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.107 7.453 3.407 1.00 0.00 H new ATOM 0 H4' DG B 7 21.137 7.109 2.531 1.00 0.00 H new ATOM 0 H3' DG B 7 21.013 8.321 5.094 1.00 0.00 H new ATOM 0 H2' DG B 7 20.111 5.948 5.858 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.729 7.025 5.837 1.00 0.00 H new ATOM 0 H1' DG B 7 18.453 6.429 3.172 1.00 0.00 H new ATOM 0 H8 DG B 7 18.578 4.352 6.287 1.00 0.00 H new ATOM 0 H1 DG B 7 13.762 3.119 2.250 1.00 0.00 H new ATOM 0 H21 DG B 7 15.430 5.349 0.101 1.00 0.00 H new ATOM 0 H22 DG B 7 14.043 4.282 0.343 1.00 0.00 H new ATOM 483 P DT B 8 19.761 10.066 3.476 1.00 0.00 P ATOM 484 OP1 DT B 8 21.136 10.156 2.919 1.00 0.00 O ATOM 485 OP2 DT B 8 19.381 10.900 4.643 1.00 0.00 O ATOM 486 O5' DT B 8 18.702 10.331 2.300 1.00 0.00 O ATOM 487 C5' DT B 8 19.002 9.878 0.984 1.00 0.00 C ATOM 488 C4' DT B 8 17.792 9.755 0.082 1.00 0.00 C ATOM 489 O4' DT B 8 16.926 8.657 0.375 1.00 0.00 O ATOM 490 C3' DT B 8 16.874 10.930 -0.229 1.00 0.00 C ATOM 491 O3' DT B 8 16.265 10.828 -1.501 1.00 0.00 O ATOM 492 C2' DT B 8 15.854 10.700 0.840 1.00 0.00 C ATOM 493 C1' DT B 8 15.651 9.190 0.756 1.00 0.00 C ATOM 494 N1 DT B 8 15.413 8.527 2.044 1.00 0.00 N ATOM 495 C2 DT B 8 14.453 7.543 2.168 1.00 0.00 C ATOM 496 O2 DT B 8 13.745 7.185 1.227 1.00 0.00 O ATOM 497 N3 DT B 8 14.340 6.998 3.435 1.00 0.00 N ATOM 498 C4 DT B 8 15.060 7.328 4.549 1.00 0.00 C ATOM 499 O4 DT B 8 14.852 6.755 5.618 1.00 0.00 O ATOM 500 C5 DT B 8 16.033 8.363 4.332 1.00 0.00 C ATOM 501 C7 DT B 8 16.876 8.867 5.463 1.00 0.00 C ATOM 502 C6 DT B 8 16.163 8.896 3.119 1.00 0.00 C ATOM 0 H5' DT B 8 19.494 8.907 1.049 1.00 0.00 H new ATOM 0 H5'' DT B 8 19.714 10.566 0.528 1.00 0.00 H new ATOM 0 H4' DT B 8 18.405 9.629 -0.811 1.00 0.00 H new ATOM 0 H3' DT B 8 17.370 11.900 -0.248 1.00 0.00 H new ATOM 0 H2' DT B 8 16.213 11.011 1.821 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.931 11.248 0.650 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.686 11.605 -1.650 1.00 0.00 H new ATOM 0 H1' DT B 8 14.799 9.026 0.096 1.00 0.00 H new ATOM 0 H3 DT B 8 13.639 6.266 3.551 1.00 0.00 H new ATOM 0 H71 DT B 8 17.839 9.201 5.078 1.00 0.00 H new ATOM 0 H72 DT B 8 16.371 9.701 5.950 1.00 0.00 H new ATOM 0 H73 DT B 8 17.032 8.066 6.186 1.00 0.00 H new ATOM 0 H6 DT B 8 16.907 9.666 2.979 1.00 0.00 H new TER 516 DT B 8