USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 188 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 Set 1.1: A 8 DT C7 :methyl -30:sc= -0.0264 (180deg=-0.497) USER MOD Set 1.2: B 12 DT C7 :methyl -30:sc= -0.0013 (180deg=0) USER MOD Set 2.1: A 4 DT C7 :methyl 150:sc= -0.0564 (180deg=-0.0298) USER MOD Set 2.2: B 16 DT C7 :methyl -30:sc= -0.121 (180deg=-0.507) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= -0.0453 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 180:sc= -0.144 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 10.829 -1.080 -8.280 1.00 0.00 O ATOM 2 C5' DT A 1 11.572 0.094 -7.991 1.00 0.00 C ATOM 3 C4' DT A 1 10.656 1.257 -7.591 1.00 0.00 C ATOM 4 O4' DT A 1 9.795 1.583 -8.671 1.00 0.00 O ATOM 5 C3' DT A 1 9.737 0.944 -6.405 1.00 0.00 C ATOM 6 O3' DT A 1 9.687 2.037 -5.501 1.00 0.00 O ATOM 7 C2' DT A 1 8.372 0.871 -7.043 1.00 0.00 C ATOM 8 C1' DT A 1 8.541 1.944 -8.115 1.00 0.00 C ATOM 9 N1 DT A 1 7.435 2.006 -9.105 1.00 0.00 N ATOM 10 C2 DT A 1 7.656 2.662 -10.330 1.00 0.00 C ATOM 11 O2 DT A 1 8.692 3.233 -10.659 1.00 0.00 O ATOM 12 N3 DT A 1 6.597 2.678 -11.208 1.00 0.00 N ATOM 13 C4 DT A 1 5.333 2.182 -10.967 1.00 0.00 C ATOM 14 O4 DT A 1 4.493 2.278 -11.852 1.00 0.00 O ATOM 15 C5 DT A 1 5.137 1.611 -9.638 1.00 0.00 C ATOM 16 C7 DT A 1 3.760 1.110 -9.233 1.00 0.00 C ATOM 17 C6 DT A 1 6.173 1.554 -8.763 1.00 0.00 C ATOM 0 H5' DT A 1 12.160 0.377 -8.864 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.276 -0.110 -7.184 1.00 0.00 H new ATOM 0 H4' DT A 1 11.330 2.068 -7.316 1.00 0.00 H new ATOM 0 H3' DT A 1 10.064 0.054 -5.867 1.00 0.00 H new ATOM 0 H2' DT A 1 8.157 -0.112 -7.463 1.00 0.00 H new ATOM 0 H2'' DT A 1 7.569 1.101 -6.343 1.00 0.00 H new ATOM 0 HO5' DT A 1 11.442 -1.801 -8.533 1.00 0.00 H new ATOM 0 H1' DT A 1 8.509 2.960 -7.720 1.00 0.00 H new ATOM 0 H3 DT A 1 6.762 3.096 -12.124 1.00 0.00 H new ATOM 0 H71 DT A 1 3.866 0.290 -8.522 1.00 0.00 H new ATOM 0 H72 DT A 1 3.199 1.922 -8.770 1.00 0.00 H new ATOM 0 H73 DT A 1 3.227 0.758 -10.116 1.00 0.00 H new ATOM 0 H6 DT A 1 6.008 1.146 -7.777 1.00 0.00 H new ATOM 31 P DG A 2 10.650 2.066 -4.230 1.00 0.00 P ATOM 32 OP1 DG A 2 10.366 3.290 -3.438 1.00 0.00 O ATOM 33 OP2 DG A 2 12.020 1.741 -4.669 1.00 0.00 O ATOM 34 O5' DG A 2 10.018 0.794 -3.491 1.00 0.00 O ATOM 35 C5' DG A 2 9.714 0.768 -2.114 1.00 0.00 C ATOM 36 C4' DG A 2 8.549 -0.193 -1.897 1.00 0.00 C ATOM 37 O4' DG A 2 7.358 0.335 -2.416 1.00 0.00 O ATOM 38 C3' DG A 2 8.710 -1.576 -2.533 1.00 0.00 C ATOM 39 O3' DG A 2 9.476 -2.560 -1.839 1.00 0.00 O ATOM 40 C2' DG A 2 7.258 -1.999 -2.707 1.00 0.00 C ATOM 41 C1' DG A 2 6.443 -0.733 -2.392 1.00 0.00 C ATOM 42 N9 DG A 2 5.483 -0.432 -3.446 1.00 0.00 N ATOM 43 C8 DG A 2 5.730 -0.503 -4.772 1.00 0.00 C ATOM 44 N7 DG A 2 4.709 -0.213 -5.535 1.00 0.00 N ATOM 45 C5 DG A 2 3.725 0.169 -4.601 1.00 0.00 C ATOM 46 C6 DG A 2 2.383 0.673 -4.751 1.00 0.00 C ATOM 47 O6 DG A 2 1.695 0.830 -5.757 1.00 0.00 O ATOM 48 N1 DG A 2 1.812 1.062 -3.556 1.00 0.00 N ATOM 49 C2 DG A 2 2.398 0.899 -2.343 1.00 0.00 C ATOM 50 N2 DG A 2 1.736 1.344 -1.310 1.00 0.00 N ATOM 51 N3 DG A 2 3.596 0.360 -2.144 1.00 0.00 N ATOM 52 C4 DG A 2 4.216 0.050 -3.316 1.00 0.00 C ATOM 0 H5' DG A 2 9.452 1.767 -1.764 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.583 0.447 -1.540 1.00 0.00 H new ATOM 0 H4' DG A 2 8.526 -0.313 -0.814 1.00 0.00 H new ATOM 0 H3' DG A 2 9.311 -1.502 -3.439 1.00 0.00 H new ATOM 0 H2' DG A 2 7.067 -2.351 -3.721 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.999 -2.815 -2.032 1.00 0.00 H new ATOM 0 H1' DG A 2 5.921 -0.876 -1.446 1.00 0.00 H new ATOM 0 H8 DG A 2 6.695 -0.778 -5.171 1.00 0.00 H new ATOM 0 H1 DG A 2 0.891 1.500 -3.587 1.00 0.00 H new ATOM 0 H21 DG A 2 2.128 1.248 -0.373 1.00 0.00 H new ATOM 0 H22 DG A 2 0.827 1.787 -1.440 1.00 0.00 H new ATOM 64 P DC A 3 9.439 -2.837 -0.246 1.00 0.00 P ATOM 65 OP1 DC A 3 9.934 -1.633 0.449 1.00 0.00 O ATOM 66 OP2 DC A 3 10.088 -4.143 0.001 1.00 0.00 O ATOM 67 O5' DC A 3 7.887 -3.055 0.114 1.00 0.00 O ATOM 68 C5' DC A 3 7.223 -2.435 1.210 1.00 0.00 C ATOM 69 C4' DC A 3 5.801 -3.011 1.345 1.00 0.00 C ATOM 70 O4' DC A 3 4.936 -2.547 0.333 1.00 0.00 O ATOM 71 C3' DC A 3 5.765 -4.533 1.197 1.00 0.00 C ATOM 72 O3' DC A 3 6.320 -5.193 2.332 1.00 0.00 O ATOM 73 C2' DC A 3 4.331 -4.807 0.745 1.00 0.00 C ATOM 74 C1' DC A 3 3.833 -3.442 0.280 1.00 0.00 C ATOM 75 N1 DC A 3 3.363 -3.489 -1.127 1.00 0.00 N ATOM 76 C2 DC A 3 2.034 -3.248 -1.475 1.00 0.00 C ATOM 77 O2 DC A 3 1.146 -3.271 -0.642 1.00 0.00 O ATOM 78 N3 DC A 3 1.682 -2.933 -2.745 1.00 0.00 N ATOM 79 C4 DC A 3 2.626 -2.953 -3.662 1.00 0.00 C ATOM 80 N4 DC A 3 2.307 -2.568 -4.868 1.00 0.00 N ATOM 81 C5 DC A 3 3.960 -3.353 -3.380 1.00 0.00 C ATOM 82 C6 DC A 3 4.290 -3.635 -2.108 1.00 0.00 C ATOM 0 H5' DC A 3 7.177 -1.357 1.057 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.783 -2.603 2.130 1.00 0.00 H new ATOM 0 H4' DC A 3 5.486 -2.690 2.338 1.00 0.00 H new ATOM 0 H3' DC A 3 6.423 -4.975 0.449 1.00 0.00 H new ATOM 0 H2' DC A 3 4.298 -5.541 -0.060 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.722 -5.200 1.559 1.00 0.00 H new ATOM 0 H1' DC A 3 3.006 -3.130 0.918 1.00 0.00 H new ATOM 0 H41 DC A 3 3.011 -2.569 -5.607 1.00 0.00 H new ATOM 0 H42 DC A 3 1.354 -2.266 -5.072 1.00 0.00 H new ATOM 0 H5 DC A 3 4.692 -3.429 -4.170 1.00 0.00 H new ATOM 0 H6 DC A 3 5.286 -3.976 -1.868 1.00 0.00 H new ATOM 94 P DT A 4 5.474 -5.862 3.538 1.00 0.00 P ATOM 95 OP1 DT A 4 6.429 -6.121 4.633 1.00 0.00 O ATOM 96 OP2 DT A 4 4.701 -6.981 2.957 1.00 0.00 O ATOM 97 O5' DT A 4 4.421 -4.724 4.015 1.00 0.00 O ATOM 98 C5' DT A 4 4.778 -3.618 4.835 1.00 0.00 C ATOM 99 C4' DT A 4 3.710 -3.375 5.907 1.00 0.00 C ATOM 100 O4' DT A 4 2.444 -3.063 5.370 1.00 0.00 O ATOM 101 C3' DT A 4 3.577 -4.540 6.868 1.00 0.00 C ATOM 102 O3' DT A 4 4.432 -4.296 7.964 1.00 0.00 O ATOM 103 C2' DT A 4 2.133 -4.398 7.302 1.00 0.00 C ATOM 104 C1' DT A 4 1.434 -3.635 6.184 1.00 0.00 C ATOM 105 N1 DT A 4 0.582 -4.530 5.366 1.00 0.00 N ATOM 106 C2 DT A 4 -0.700 -4.834 5.832 1.00 0.00 C ATOM 107 O2 DT A 4 -1.133 -4.478 6.923 1.00 0.00 O ATOM 108 N3 DT A 4 -1.495 -5.584 4.994 1.00 0.00 N ATOM 109 C4 DT A 4 -1.145 -6.035 3.737 1.00 0.00 C ATOM 110 O4 DT A 4 -1.970 -6.678 3.096 1.00 0.00 O ATOM 111 C5 DT A 4 0.210 -5.680 3.316 1.00 0.00 C ATOM 112 C7 DT A 4 0.719 -6.068 1.943 1.00 0.00 C ATOM 113 C6 DT A 4 1.024 -4.970 4.141 1.00 0.00 C ATOM 0 H5' DT A 4 4.894 -2.725 4.221 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.741 -3.806 5.309 1.00 0.00 H new ATOM 0 H4' DT A 4 4.066 -2.504 6.458 1.00 0.00 H new ATOM 0 H3' DT A 4 3.823 -5.521 6.461 1.00 0.00 H new ATOM 0 H2' DT A 4 1.673 -5.374 7.455 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.060 -3.860 8.247 1.00 0.00 H new ATOM 0 H1' DT A 4 0.784 -2.871 6.611 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.426 -5.828 5.332 1.00 0.00 H new ATOM 0 H71 DT A 4 1.447 -5.331 1.603 1.00 0.00 H new ATOM 0 H72 DT A 4 1.192 -7.049 1.994 1.00 0.00 H new ATOM 0 H73 DT A 4 -0.115 -6.104 1.242 1.00 0.00 H new ATOM 0 H6 DT A 4 2.034 -4.748 3.829 1.00 0.00 H new ATOM 126 P DT A 5 4.863 -5.443 8.999 1.00 0.00 P ATOM 127 OP1 DT A 5 4.823 -6.757 8.323 1.00 0.00 O ATOM 128 OP2 DT A 5 4.129 -5.226 10.264 1.00 0.00 O ATOM 129 O5' DT A 5 6.392 -4.999 9.190 1.00 0.00 O ATOM 130 C5' DT A 5 7.305 -5.053 8.107 1.00 0.00 C ATOM 131 C4' DT A 5 8.593 -4.356 8.521 1.00 0.00 C ATOM 132 O4' DT A 5 9.282 -5.141 9.469 1.00 0.00 O ATOM 133 C3' DT A 5 9.583 -4.193 7.366 1.00 0.00 C ATOM 134 O3' DT A 5 9.432 -2.962 6.687 1.00 0.00 O ATOM 135 C2' DT A 5 10.944 -4.269 8.057 1.00 0.00 C ATOM 136 C1' DT A 5 10.600 -4.656 9.499 1.00 0.00 C ATOM 137 N1 DT A 5 11.462 -5.716 10.052 1.00 0.00 N ATOM 138 C2 DT A 5 12.027 -5.533 11.314 1.00 0.00 C ATOM 139 O2 DT A 5 11.880 -4.520 11.992 1.00 0.00 O ATOM 140 N3 DT A 5 12.799 -6.568 11.790 1.00 0.00 N ATOM 141 C4 DT A 5 13.055 -7.755 11.131 1.00 0.00 C ATOM 142 O4 DT A 5 13.769 -8.583 11.686 1.00 0.00 O ATOM 143 C5 DT A 5 12.422 -7.880 9.819 1.00 0.00 C ATOM 144 C7 DT A 5 12.600 -9.129 8.972 1.00 0.00 C ATOM 145 C6 DT A 5 11.650 -6.874 9.337 1.00 0.00 C ATOM 0 H5' DT A 5 6.879 -4.569 7.229 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.507 -6.089 7.834 1.00 0.00 H new ATOM 0 H4' DT A 5 8.283 -3.383 8.901 1.00 0.00 H new ATOM 0 H3' DT A 5 9.438 -4.950 6.595 1.00 0.00 H new ATOM 0 H2' DT A 5 11.590 -5.010 7.587 1.00 0.00 H new ATOM 0 H2'' DT A 5 11.469 -3.315 8.013 1.00 0.00 H new ATOM 0 H1' DT A 5 10.739 -3.780 10.133 1.00 0.00 H new ATOM 0 H3 DT A 5 13.220 -6.448 12.711 1.00 0.00 H new ATOM 0 H71 DT A 5 11.713 -9.280 8.356 1.00 0.00 H new ATOM 0 H72 DT A 5 13.472 -9.011 8.329 1.00 0.00 H new ATOM 0 H73 DT A 5 12.742 -9.992 9.622 1.00 0.00 H new ATOM 0 H6 DT A 5 11.175 -6.985 8.374 1.00 0.00 H new ATOM 158 P DC A 6 10.318 -2.634 5.377 1.00 0.00 P ATOM 159 OP1 DC A 6 10.531 -3.893 4.629 1.00 0.00 O ATOM 160 OP2 DC A 6 11.479 -1.820 5.796 1.00 0.00 O ATOM 161 O5' DC A 6 9.351 -1.699 4.503 1.00 0.00 O ATOM 162 C5' DC A 6 9.170 -0.337 4.836 1.00 0.00 C ATOM 163 C4' DC A 6 8.049 0.236 3.975 1.00 0.00 C ATOM 164 O4' DC A 6 6.817 -0.348 4.321 1.00 0.00 O ATOM 165 C3' DC A 6 7.853 1.739 4.194 1.00 0.00 C ATOM 166 O3' DC A 6 8.735 2.640 3.505 1.00 0.00 O ATOM 167 C2' DC A 6 6.357 1.928 3.970 1.00 0.00 C ATOM 168 C1' DC A 6 5.812 0.501 3.822 1.00 0.00 C ATOM 169 N1 DC A 6 4.614 0.275 4.656 1.00 0.00 N ATOM 170 C2 DC A 6 3.413 -0.108 4.061 1.00 0.00 C ATOM 171 O2 DC A 6 3.340 -0.367 2.860 1.00 0.00 O ATOM 172 N3 DC A 6 2.299 -0.222 4.822 1.00 0.00 N ATOM 173 C4 DC A 6 2.381 -0.009 6.126 1.00 0.00 C ATOM 174 N4 DC A 6 1.285 -0.202 6.812 1.00 0.00 N ATOM 175 C5 DC A 6 3.603 0.303 6.793 1.00 0.00 C ATOM 176 C6 DC A 6 4.704 0.428 6.014 1.00 0.00 C ATOM 0 H5' DC A 6 10.094 0.218 4.671 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.923 -0.237 5.893 1.00 0.00 H new ATOM 0 H4' DC A 6 8.339 0.030 2.945 1.00 0.00 H new ATOM 0 H3' DC A 6 8.164 2.039 5.195 1.00 0.00 H new ATOM 0 H2' DC A 6 5.892 2.446 4.808 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.160 2.523 3.078 1.00 0.00 H new ATOM 0 H1' DC A 6 5.547 0.323 2.780 1.00 0.00 H new ATOM 0 H41 DC A 6 1.283 -0.055 7.821 1.00 0.00 H new ATOM 0 H42 DC A 6 0.432 -0.500 6.338 1.00 0.00 H new ATOM 0 H5 DC A 6 3.648 0.433 7.864 1.00 0.00 H new ATOM 0 H6 DC A 6 5.659 0.650 6.467 1.00 0.00 H new ATOM 188 P DG A 7 8.981 2.713 1.896 1.00 0.00 P ATOM 189 OP1 DG A 7 9.332 1.361 1.414 1.00 0.00 O ATOM 190 OP2 DG A 7 9.909 3.821 1.590 1.00 0.00 O ATOM 191 O5' DG A 7 7.545 3.109 1.321 1.00 0.00 O ATOM 192 C5' DG A 7 6.969 2.516 0.170 1.00 0.00 C ATOM 193 C4' DG A 7 5.555 3.081 -0.049 1.00 0.00 C ATOM 194 O4' DG A 7 4.668 2.415 0.829 1.00 0.00 O ATOM 195 C3' DG A 7 5.392 4.582 0.274 1.00 0.00 C ATOM 196 O3' DG A 7 5.384 5.493 -0.811 1.00 0.00 O ATOM 197 C2' DG A 7 3.990 4.662 0.854 1.00 0.00 C ATOM 198 C1' DG A 7 3.514 3.216 0.925 1.00 0.00 C ATOM 199 N9 DG A 7 2.817 2.960 2.194 1.00 0.00 N ATOM 200 C8 DG A 7 3.242 3.277 3.455 1.00 0.00 C ATOM 201 N7 DG A 7 2.368 3.026 4.391 1.00 0.00 N ATOM 202 C5 DG A 7 1.267 2.515 3.686 1.00 0.00 C ATOM 203 C6 DG A 7 -0.032 2.071 4.120 1.00 0.00 C ATOM 204 O6 DG A 7 -0.489 1.987 5.259 1.00 0.00 O ATOM 205 N1 DG A 7 -0.873 1.732 3.072 1.00 0.00 N ATOM 206 C2 DG A 7 -0.487 1.680 1.764 1.00 0.00 C ATOM 207 N2 DG A 7 -1.382 1.285 0.884 1.00 0.00 N ATOM 208 N3 DG A 7 0.718 2.058 1.337 1.00 0.00 N ATOM 209 C4 DG A 7 1.543 2.474 2.339 1.00 0.00 C ATOM 0 H5' DG A 7 6.924 1.434 0.290 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.590 2.715 -0.703 1.00 0.00 H new ATOM 0 H4' DG A 7 5.351 2.935 -1.110 1.00 0.00 H new ATOM 0 H3' DG A 7 6.245 4.869 0.889 1.00 0.00 H new ATOM 0 H2' DG A 7 3.996 5.125 1.841 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.335 5.263 0.224 1.00 0.00 H new ATOM 0 H1' DG A 7 2.809 2.995 0.123 1.00 0.00 H new ATOM 0 H8 DG A 7 4.216 3.698 3.658 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.843 1.507 3.292 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.136 1.231 -0.104 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.322 1.032 1.190 1.00 0.00 H new ATOM 221 P DT A 8 6.572 5.679 -1.871 1.00 0.00 P ATOM 222 OP1 DT A 8 7.815 5.034 -1.394 1.00 0.00 O ATOM 223 OP2 DT A 8 6.603 7.086 -2.309 1.00 0.00 O ATOM 224 O5' DT A 8 5.962 4.810 -3.067 1.00 0.00 O ATOM 225 C5' DT A 8 6.590 3.666 -3.618 1.00 0.00 C ATOM 226 C4' DT A 8 5.946 3.407 -4.983 1.00 0.00 C ATOM 227 O4' DT A 8 4.624 2.940 -4.819 1.00 0.00 O ATOM 228 C3' DT A 8 5.884 4.659 -5.866 1.00 0.00 C ATOM 229 O3' DT A 8 6.958 4.691 -6.789 1.00 0.00 O ATOM 230 C2' DT A 8 4.554 4.530 -6.589 1.00 0.00 C ATOM 231 C1' DT A 8 3.788 3.434 -5.855 1.00 0.00 C ATOM 232 N1 DT A 8 2.537 3.992 -5.288 1.00 0.00 N ATOM 233 C2 DT A 8 1.408 4.075 -6.107 1.00 0.00 C ATOM 234 O2 DT A 8 1.389 3.712 -7.278 1.00 0.00 O ATOM 235 N3 DT A 8 0.281 4.631 -5.544 1.00 0.00 N ATOM 236 C4 DT A 8 0.171 5.104 -4.251 1.00 0.00 C ATOM 237 O4 DT A 8 -0.908 5.553 -3.881 1.00 0.00 O ATOM 238 C5 DT A 8 1.399 5.006 -3.465 1.00 0.00 C ATOM 239 C7 DT A 8 1.451 5.481 -2.031 1.00 0.00 C ATOM 240 C6 DT A 8 2.525 4.476 -4.005 1.00 0.00 C ATOM 0 H5' DT A 8 6.462 2.804 -2.963 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.662 3.830 -3.724 1.00 0.00 H new ATOM 0 H4' DT A 8 6.577 2.665 -5.472 1.00 0.00 H new ATOM 0 H3' DT A 8 5.964 5.580 -5.288 1.00 0.00 H new ATOM 0 H2' DT A 8 4.005 5.471 -6.569 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.702 4.269 -7.637 1.00 0.00 H new ATOM 0 HO3' DT A 8 6.892 5.499 -7.340 1.00 0.00 H new ATOM 0 H1' DT A 8 3.521 2.627 -6.537 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.547 4.700 -6.135 1.00 0.00 H new ATOM 0 H71 DT A 8 0.747 6.302 -1.894 1.00 0.00 H new ATOM 0 H72 DT A 8 1.184 4.660 -1.366 1.00 0.00 H new ATOM 0 H73 DT A 8 2.459 5.824 -1.798 1.00 0.00 H new ATOM 0 H6 DT A 8 3.428 4.435 -3.414 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -8.955 -1.932 -11.861 1.00 0.00 O ATOM 256 C5' DT B 9 -8.261 -1.674 -10.651 1.00 0.00 C ATOM 257 C4' DT B 9 -7.806 -2.949 -9.934 1.00 0.00 C ATOM 258 O4' DT B 9 -6.777 -3.564 -10.689 1.00 0.00 O ATOM 259 C3' DT B 9 -7.173 -2.585 -8.583 1.00 0.00 C ATOM 260 O3' DT B 9 -7.404 -3.586 -7.611 1.00 0.00 O ATOM 261 C2' DT B 9 -5.698 -2.611 -8.891 1.00 0.00 C ATOM 262 C1' DT B 9 -5.684 -3.823 -9.824 1.00 0.00 C ATOM 263 N1 DT B 9 -4.404 -4.028 -10.547 1.00 0.00 N ATOM 264 C2 DT B 9 -4.387 -4.792 -11.726 1.00 0.00 C ATOM 265 O2 DT B 9 -5.351 -5.368 -12.219 1.00 0.00 O ATOM 266 N3 DT B 9 -3.168 -4.932 -12.346 1.00 0.00 N ATOM 267 C4 DT B 9 -1.957 -4.472 -11.871 1.00 0.00 C ATOM 268 O4 DT B 9 -0.949 -4.693 -12.529 1.00 0.00 O ATOM 269 C5 DT B 9 -2.033 -3.773 -10.589 1.00 0.00 C ATOM 270 C7 DT B 9 -0.786 -3.236 -9.912 1.00 0.00 C ATOM 271 C6 DT B 9 -3.229 -3.586 -9.980 1.00 0.00 C ATOM 0 H5' DT B 9 -8.906 -1.100 -9.985 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.390 -1.054 -10.864 1.00 0.00 H new ATOM 0 H4' DT B 9 -8.670 -3.601 -9.809 1.00 0.00 H new ATOM 0 H3' DT B 9 -7.567 -1.645 -8.195 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.351 -1.699 -9.377 1.00 0.00 H new ATOM 0 H2'' DT B 9 -5.082 -2.753 -8.003 1.00 0.00 H new ATOM 0 HO5' DT B 9 -9.222 -1.083 -12.273 1.00 0.00 H new ATOM 0 H1' DT B 9 -5.776 -4.762 -9.278 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.158 -5.422 -13.241 1.00 0.00 H new ATOM 0 H71 DT B 9 -1.042 -2.354 -9.325 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.370 -4.001 -9.256 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.049 -2.967 -10.668 1.00 0.00 H new ATOM 0 H6 DT B 9 -3.262 -3.078 -9.027 1.00 0.00 H new ATOM 285 P DG B 10 -8.775 -3.642 -6.794 1.00 0.00 P ATOM 286 OP1 DG B 10 -9.066 -5.057 -6.465 1.00 0.00 O ATOM 287 OP2 DG B 10 -9.777 -2.823 -7.504 1.00 0.00 O ATOM 288 O5' DG B 10 -8.371 -2.910 -5.424 1.00 0.00 O ATOM 289 C5' DG B 10 -8.169 -1.509 -5.364 1.00 0.00 C ATOM 290 C4' DG B 10 -7.818 -1.105 -3.928 1.00 0.00 C ATOM 291 O4' DG B 10 -6.506 -1.509 -3.583 1.00 0.00 O ATOM 292 C3' DG B 10 -7.949 0.394 -3.677 1.00 0.00 C ATOM 293 O3' DG B 10 -8.362 0.641 -2.336 1.00 0.00 O ATOM 294 C2' DG B 10 -6.523 0.821 -3.952 1.00 0.00 C ATOM 295 C1' DG B 10 -5.687 -0.368 -3.474 1.00 0.00 C ATOM 296 N9 DG B 10 -4.523 -0.641 -4.327 1.00 0.00 N ATOM 297 C8 DG B 10 -4.499 -0.683 -5.686 1.00 0.00 C ATOM 298 N7 DG B 10 -3.342 -1.002 -6.206 1.00 0.00 N ATOM 299 C5 DG B 10 -2.549 -1.259 -5.074 1.00 0.00 C ATOM 300 C6 DG B 10 -1.192 -1.724 -4.923 1.00 0.00 C ATOM 301 O6 DG B 10 -0.330 -1.976 -5.763 1.00 0.00 O ATOM 302 N1 DG B 10 -0.835 -1.937 -3.608 1.00 0.00 N ATOM 303 C2 DG B 10 -1.636 -1.664 -2.550 1.00 0.00 C ATOM 304 N2 DG B 10 -1.139 -1.942 -1.378 1.00 0.00 N ATOM 305 N3 DG B 10 -2.869 -1.181 -2.631 1.00 0.00 N ATOM 306 C4 DG B 10 -3.277 -1.031 -3.923 1.00 0.00 C ATOM 0 H5' DG B 10 -9.068 -0.987 -5.691 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.367 -1.217 -6.042 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.545 -1.620 -3.300 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.691 0.924 -4.275 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.363 1.022 -5.011 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.267 1.733 -3.412 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.339 -0.141 -2.466 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.369 -0.469 -6.290 1.00 0.00 H new ATOM 0 H1 DG B 10 0.090 -2.324 -3.420 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.686 -1.762 -0.536 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.203 -2.339 -1.302 1.00 0.00 H new ATOM 318 P DC B 11 -8.723 2.130 -1.816 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.606 2.065 -0.627 1.00 0.00 O ATOM 320 OP2 DC B 11 -9.118 2.950 -2.977 1.00 0.00 O ATOM 321 O5' DC B 11 -7.305 2.664 -1.295 1.00 0.00 O ATOM 322 C5' DC B 11 -6.722 2.157 -0.105 1.00 0.00 C ATOM 323 C4' DC B 11 -5.363 2.808 0.166 1.00 0.00 C ATOM 324 O4' DC B 11 -4.424 2.224 -0.702 1.00 0.00 O ATOM 325 C3' DC B 11 -5.311 4.325 -0.053 1.00 0.00 C ATOM 326 O3' DC B 11 -5.272 5.036 1.169 1.00 0.00 O ATOM 327 C2' DC B 11 -3.967 4.519 -0.749 1.00 0.00 C ATOM 328 C1' DC B 11 -3.358 3.130 -0.838 1.00 0.00 C ATOM 329 N1 DC B 11 -2.723 2.873 -2.151 1.00 0.00 N ATOM 330 C2 DC B 11 -1.353 2.629 -2.255 1.00 0.00 C ATOM 331 O2 DC B 11 -0.610 2.757 -1.295 1.00 0.00 O ATOM 332 N3 DC B 11 -0.806 2.172 -3.408 1.00 0.00 N ATOM 333 C4 DC B 11 -1.605 1.996 -4.442 1.00 0.00 C ATOM 334 N4 DC B 11 -1.087 1.458 -5.513 1.00 0.00 N ATOM 335 C5 DC B 11 -3.000 2.272 -4.399 1.00 0.00 C ATOM 336 C6 DC B 11 -3.526 2.710 -3.239 1.00 0.00 C ATOM 0 H5' DC B 11 -6.601 1.077 -0.188 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.390 2.339 0.737 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.154 2.641 1.223 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.182 4.683 -0.602 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.096 4.956 -1.739 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.325 5.195 -0.184 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.591 3.029 -0.070 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.667 1.303 -6.337 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.102 1.193 -5.525 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.620 2.134 -5.272 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.581 2.931 -3.172 1.00 0.00 H new ATOM 348 P DT B 12 -6.599 5.460 1.972 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.711 4.521 1.710 1.00 0.00 O ATOM 350 OP2 DT B 12 -6.828 6.903 1.804 1.00 0.00 O ATOM 351 O5' DT B 12 -6.168 5.207 3.489 1.00 0.00 O ATOM 352 C5' DT B 12 -5.806 3.929 3.991 1.00 0.00 C ATOM 353 C4' DT B 12 -4.672 4.078 5.014 1.00 0.00 C ATOM 354 O4' DT B 12 -3.427 3.968 4.389 1.00 0.00 O ATOM 355 C3' DT B 12 -4.621 5.399 5.793 1.00 0.00 C ATOM 356 O3' DT B 12 -5.390 5.450 6.981 1.00 0.00 O ATOM 357 C2' DT B 12 -3.160 5.415 6.205 1.00 0.00 C ATOM 358 C1' DT B 12 -2.449 4.407 5.315 1.00 0.00 C ATOM 359 N1 DT B 12 -1.289 5.025 4.636 1.00 0.00 N ATOM 360 C2 DT B 12 -0.162 5.364 5.391 1.00 0.00 C ATOM 361 O2 DT B 12 -0.084 5.217 6.608 1.00 0.00 O ATOM 362 N3 DT B 12 0.893 5.914 4.693 1.00 0.00 N ATOM 363 C4 DT B 12 0.944 6.112 3.327 1.00 0.00 C ATOM 364 O4 DT B 12 1.974 6.570 2.846 1.00 0.00 O ATOM 365 C5 DT B 12 -0.275 5.736 2.607 1.00 0.00 C ATOM 366 C7 DT B 12 -0.369 5.867 1.098 1.00 0.00 C ATOM 367 C6 DT B 12 -1.339 5.231 3.283 1.00 0.00 C ATOM 0 H5' DT B 12 -5.488 3.283 3.173 1.00 0.00 H new ATOM 0 H5'' DT B 12 -6.669 3.453 4.457 1.00 0.00 H new ATOM 0 H4' DT B 12 -4.888 3.278 5.722 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.009 6.218 5.187 1.00 0.00 H new ATOM 0 H2' DT B 12 -2.733 6.410 6.082 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.051 5.149 7.256 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.044 3.572 5.887 1.00 0.00 H new ATOM 0 H3 DT B 12 1.709 6.200 5.234 1.00 0.00 H new ATOM 0 H71 DT B 12 0.262 6.691 0.764 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.034 4.941 0.631 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.403 6.064 0.814 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.242 4.987 2.743 1.00 0.00 H new ATOM 380 P DT B 13 -6.969 5.768 6.996 1.00 0.00 P ATOM 381 OP1 DT B 13 -7.356 6.634 5.863 1.00 0.00 O ATOM 382 OP2 DT B 13 -7.370 6.099 8.377 1.00 0.00 O ATOM 383 O5' DT B 13 -7.582 4.350 6.622 1.00 0.00 O ATOM 384 C5' DT B 13 -7.637 3.330 7.586 1.00 0.00 C ATOM 385 C4' DT B 13 -8.116 2.041 6.944 1.00 0.00 C ATOM 386 O4' DT B 13 -8.310 1.133 7.998 1.00 0.00 O ATOM 387 C3' DT B 13 -9.455 2.167 6.214 1.00 0.00 C ATOM 388 O3' DT B 13 -9.227 2.321 4.828 1.00 0.00 O ATOM 389 C2' DT B 13 -10.155 0.848 6.531 1.00 0.00 C ATOM 390 C1' DT B 13 -9.274 0.196 7.593 1.00 0.00 C ATOM 391 N1 DT B 13 -9.994 -0.272 8.793 1.00 0.00 N ATOM 392 C2 DT B 13 -9.610 -1.506 9.320 1.00 0.00 C ATOM 393 O2 DT B 13 -8.739 -2.221 8.836 1.00 0.00 O ATOM 394 N3 DT B 13 -10.285 -1.931 10.438 1.00 0.00 N ATOM 395 C4 DT B 13 -11.306 -1.257 11.069 1.00 0.00 C ATOM 396 O4 DT B 13 -11.836 -1.797 12.036 1.00 0.00 O ATOM 397 C5 DT B 13 -11.650 0.035 10.480 1.00 0.00 C ATOM 398 C7 DT B 13 -12.747 0.860 11.126 1.00 0.00 C ATOM 399 C6 DT B 13 -10.987 0.487 9.379 1.00 0.00 C ATOM 0 H5' DT B 13 -8.310 3.617 8.394 1.00 0.00 H new ATOM 0 H5'' DT B 13 -6.652 3.182 8.029 1.00 0.00 H new ATOM 0 H4' DT B 13 -7.375 1.738 6.204 1.00 0.00 H new ATOM 0 H3' DT B 13 -10.049 3.028 6.519 1.00 0.00 H new ATOM 0 H2' DT B 13 -11.167 1.014 6.901 1.00 0.00 H new ATOM 0 H2'' DT B 13 -10.239 0.220 5.644 1.00 0.00 H new ATOM 0 H1' DT B 13 -8.842 -0.691 7.130 1.00 0.00 H new ATOM 0 H3 DT B 13 -10.004 -2.827 10.837 1.00 0.00 H new ATOM 0 H71 DT B 13 -12.548 1.920 10.964 1.00 0.00 H new ATOM 0 H72 DT B 13 -13.708 0.599 10.682 1.00 0.00 H new ATOM 0 H73 DT B 13 -12.774 0.655 12.196 1.00 0.00 H new ATOM 0 H6 DT B 13 -11.241 1.450 8.960 1.00 0.00 H new ATOM 412 P DC B 14 -10.419 2.629 3.803 1.00 0.00 P ATOM 413 OP1 DC B 14 -10.242 4.041 3.383 1.00 0.00 O ATOM 414 OP2 DC B 14 -11.704 2.156 4.353 1.00 0.00 O ATOM 415 O5' DC B 14 -10.033 1.735 2.528 1.00 0.00 O ATOM 416 C5' DC B 14 -9.912 0.322 2.592 1.00 0.00 C ATOM 417 C4' DC B 14 -8.584 -0.091 1.959 1.00 0.00 C ATOM 418 O4' DC B 14 -7.489 0.480 2.636 1.00 0.00 O ATOM 419 C3' DC B 14 -8.365 -1.604 1.982 1.00 0.00 C ATOM 420 O3' DC B 14 -8.718 -2.106 0.701 1.00 0.00 O ATOM 421 C2' DC B 14 -6.888 -1.754 2.332 1.00 0.00 C ATOM 422 C1' DC B 14 -6.364 -0.324 2.364 1.00 0.00 C ATOM 423 N1 DC B 14 -5.402 -0.075 3.455 1.00 0.00 N ATOM 424 C2 DC B 14 -4.122 0.392 3.160 1.00 0.00 C ATOM 425 O2 DC B 14 -3.736 0.537 2.003 1.00 0.00 O ATOM 426 N3 DC B 14 -3.283 0.732 4.167 1.00 0.00 N ATOM 427 C4 DC B 14 -3.690 0.597 5.417 1.00 0.00 C ATOM 428 N4 DC B 14 -2.841 0.977 6.337 1.00 0.00 N ATOM 429 C5 DC B 14 -5.007 0.167 5.770 1.00 0.00 C ATOM 430 C6 DC B 14 -5.836 -0.164 4.749 1.00 0.00 C ATOM 0 H5' DC B 14 -10.742 -0.151 2.068 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.956 -0.013 3.628 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.642 0.264 0.930 1.00 0.00 H new ATOM 0 H3' DC B 14 -8.966 -2.164 2.698 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.755 -2.248 3.294 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.362 -2.354 1.590 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.857 -0.118 1.422 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.090 0.901 7.323 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.930 1.350 6.068 1.00 0.00 H new ATOM 0 H5 DC B 14 -5.326 0.109 6.800 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.841 -0.499 4.958 1.00 0.00 H new ATOM 442 P DG B 15 -8.837 -3.681 0.368 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.562 -3.850 -0.912 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.307 -4.390 1.580 1.00 0.00 O ATOM 445 O5' DG B 15 -7.303 -4.088 0.137 1.00 0.00 O ATOM 446 C5' DG B 15 -6.582 -3.695 -1.023 1.00 0.00 C ATOM 447 C4' DG B 15 -5.097 -4.065 -0.877 1.00 0.00 C ATOM 448 O4' DG B 15 -4.496 -3.131 -0.006 1.00 0.00 O ATOM 449 C3' DG B 15 -4.839 -5.454 -0.265 1.00 0.00 C ATOM 450 O3' DG B 15 -4.458 -6.503 -1.145 1.00 0.00 O ATOM 451 C2' DG B 15 -3.628 -5.216 0.624 1.00 0.00 C ATOM 452 C1' DG B 15 -3.328 -3.728 0.494 1.00 0.00 C ATOM 453 N9 DG B 15 -3.027 -3.146 1.808 1.00 0.00 N ATOM 454 C8 DG B 15 -3.813 -3.188 2.922 1.00 0.00 C ATOM 455 N7 DG B 15 -3.245 -2.710 3.997 1.00 0.00 N ATOM 456 C5 DG B 15 -1.975 -2.318 3.549 1.00 0.00 C ATOM 457 C6 DG B 15 -0.843 -1.747 4.228 1.00 0.00 C ATOM 458 O6 DG B 15 -0.727 -1.420 5.405 1.00 0.00 O ATOM 459 N1 DG B 15 0.266 -1.584 3.409 1.00 0.00 N ATOM 460 C2 DG B 15 0.267 -1.816 2.067 1.00 0.00 C ATOM 461 N2 DG B 15 1.363 -1.533 1.392 1.00 0.00 N ATOM 462 N3 DG B 15 -0.771 -2.332 1.416 1.00 0.00 N ATOM 463 C4 DG B 15 -1.850 -2.573 2.205 1.00 0.00 C ATOM 0 H5' DG B 15 -6.683 -2.621 -1.176 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.001 -4.183 -1.903 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.688 -4.065 -1.887 1.00 0.00 H new ATOM 0 H3' DG B 15 -5.774 -5.788 0.185 1.00 0.00 H new ATOM 0 H2' DG B 15 -3.839 -5.487 1.659 1.00 0.00 H new ATOM 0 H2'' DG B 15 -2.779 -5.819 0.303 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.469 -3.566 -0.157 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.818 -3.582 2.916 1.00 0.00 H new ATOM 0 H1 DG B 15 1.136 -1.270 3.840 1.00 0.00 H new ATOM 0 H21 DG B 15 1.398 -1.695 0.385 1.00 0.00 H new ATOM 0 H22 DG B 15 2.176 -1.152 1.876 1.00 0.00 H new ATOM 475 P DT B 16 -5.246 -6.930 -2.483 1.00 0.00 P ATOM 476 OP1 DT B 16 -6.683 -6.591 -2.368 1.00 0.00 O ATOM 477 OP2 DT B 16 -4.847 -8.312 -2.818 1.00 0.00 O ATOM 478 O5' DT B 16 -4.523 -5.947 -3.533 1.00 0.00 O ATOM 479 C5' DT B 16 -5.204 -5.001 -4.346 1.00 0.00 C ATOM 480 C4' DT B 16 -4.359 -4.738 -5.600 1.00 0.00 C ATOM 481 O4' DT B 16 -3.120 -4.129 -5.277 1.00 0.00 O ATOM 482 C3' DT B 16 -4.054 -6.036 -6.350 1.00 0.00 C ATOM 483 O3' DT B 16 -4.901 -6.171 -7.480 1.00 0.00 O ATOM 484 C2' DT B 16 -2.608 -5.893 -6.795 1.00 0.00 C ATOM 485 C1' DT B 16 -2.053 -4.701 -6.026 1.00 0.00 C ATOM 486 N1 DT B 16 -0.950 -5.149 -5.138 1.00 0.00 N ATOM 487 C2 DT B 16 0.327 -5.307 -5.683 1.00 0.00 C ATOM 488 O2 DT B 16 0.596 -5.093 -6.861 1.00 0.00 O ATOM 489 N3 DT B 16 1.309 -5.757 -4.828 1.00 0.00 N ATOM 490 C4 DT B 16 1.145 -6.044 -3.487 1.00 0.00 C ATOM 491 O4 DT B 16 2.129 -6.394 -2.843 1.00 0.00 O ATOM 492 C5 DT B 16 -0.222 -5.877 -2.991 1.00 0.00 C ATOM 493 C7 DT B 16 -0.580 -6.145 -1.541 1.00 0.00 C ATOM 494 C6 DT B 16 -1.205 -5.459 -3.826 1.00 0.00 C ATOM 0 H5' DT B 16 -5.363 -4.074 -3.796 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.187 -5.379 -4.625 1.00 0.00 H new ATOM 0 H4' DT B 16 -4.950 -4.071 -6.227 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.215 -6.916 -5.728 1.00 0.00 H new ATOM 0 H2' DT B 16 -2.040 -6.798 -6.577 1.00 0.00 H new ATOM 0 H2'' DT B 16 -2.544 -5.728 -7.871 1.00 0.00 H new ATOM 0 HO3' DT B 16 -4.691 -7.006 -7.949 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.646 -3.952 -6.705 1.00 0.00 H new ATOM 0 H3 DT B 16 2.241 -5.890 -5.221 1.00 0.00 H new ATOM 0 H71 DT B 16 0.079 -6.915 -1.140 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.462 -5.229 -0.962 1.00 0.00 H new ATOM 0 H73 DT B 16 -1.614 -6.484 -1.478 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.213 -5.368 -3.449 1.00 0.00 H new TER 508 DT B 16