USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.882 2.671 9.522 1.00 0.53 O ATOM 2 C5' DC A 1 -6.104 2.724 10.719 1.00 0.52 C ATOM 3 C4' DC A 1 -4.763 3.418 10.481 1.00 0.48 C ATOM 4 O4' DC A 1 -4.003 2.675 9.525 1.00 0.47 O ATOM 5 C3' DC A 1 -4.891 4.848 9.945 1.00 0.46 C ATOM 6 O3' DC A 1 -4.160 5.741 10.793 1.00 0.52 O ATOM 7 C2' DC A 1 -4.248 4.803 8.562 1.00 0.41 C ATOM 8 C1' DC A 1 -3.326 3.605 8.689 1.00 0.42 C ATOM 9 N1 DC A 1 -3.024 2.931 7.412 1.00 0.38 N ATOM 10 C2 DC A 1 -1.720 3.000 6.949 1.00 0.44 C ATOM 11 O2 DC A 1 -0.868 3.607 7.594 1.00 0.56 O ATOM 12 N3 DC A 1 -1.420 2.383 5.772 1.00 0.41 N ATOM 13 C4 DC A 1 -2.361 1.726 5.080 1.00 0.35 C ATOM 14 N4 DC A 1 -2.034 1.135 3.932 1.00 0.35 N ATOM 15 C5 DC A 1 -3.708 1.652 5.557 1.00 0.36 C ATOM 16 C6 DC A 1 -3.994 2.266 6.722 1.00 0.36 C ATOM 0 H5' DC A 1 -5.932 1.713 11.088 1.00 0.52 H new ATOM 0 H5'' DC A 1 -6.659 3.256 11.492 1.00 0.52 H new ATOM 0 H4' DC A 1 -4.278 3.464 11.456 1.00 0.48 H new ATOM 0 H3' DC A 1 -5.924 5.193 9.909 1.00 0.46 H new ATOM 0 H2' DC A 1 -4.987 4.669 7.772 1.00 0.41 H new ATOM 0 H2'' DC A 1 -3.701 5.718 8.335 1.00 0.41 H new ATOM 0 HO5' DC A 1 -7.733 2.220 9.705 1.00 0.53 H new ATOM 0 H1' DC A 1 -2.371 3.954 9.082 1.00 0.42 H new ATOM 0 H41 DC A 1 -2.742 0.632 3.397 1.00 0.35 H new ATOM 0 H42 DC A 1 -1.075 1.185 3.588 1.00 0.35 H new ATOM 0 H5 DC A 1 -4.469 1.123 5.003 1.00 0.36 H new ATOM 0 H6 DC A 1 -5.000 2.231 7.113 1.00 0.36 H new ATOM 29 P DG A 2 -4.128 7.322 10.484 1.00 0.55 P ATOM 30 OP1 DG A 2 -3.783 8.034 11.735 1.00 0.65 O ATOM 31 OP2 DG A 2 -5.365 7.675 9.752 1.00 0.56 O ATOM 32 O5' DG A 2 -2.886 7.458 9.468 1.00 0.55 O ATOM 33 C5' DG A 2 -1.543 7.308 9.938 1.00 0.57 C ATOM 34 C4' DG A 2 -0.533 7.512 8.811 1.00 0.55 C ATOM 35 O4' DG A 2 -0.773 6.562 7.773 1.00 0.53 O ATOM 36 C3' DG A 2 -0.586 8.904 8.167 1.00 0.55 C ATOM 37 O3' DG A 2 0.691 9.535 8.303 1.00 0.59 O ATOM 38 C2' DG A 2 -0.884 8.646 6.691 1.00 0.51 C ATOM 39 C1' DG A 2 -0.479 7.191 6.532 1.00 0.50 C ATOM 40 N9 DG A 2 -1.215 6.475 5.476 1.00 0.47 N ATOM 41 C8 DG A 2 -2.553 6.200 5.406 1.00 0.46 C ATOM 42 N7 DG A 2 -2.905 5.551 4.331 1.00 0.45 N ATOM 43 C5 DG A 2 -1.711 5.387 3.636 1.00 0.44 C ATOM 44 C6 DG A 2 -1.465 4.752 2.387 1.00 0.45 C ATOM 45 O6 DG A 2 -2.271 4.202 1.640 1.00 0.47 O ATOM 46 N1 DG A 2 -0.120 4.808 2.046 1.00 0.46 N ATOM 47 C2 DG A 2 0.867 5.397 2.809 1.00 0.48 C ATOM 48 N2 DG A 2 2.103 5.350 2.315 1.00 0.52 N ATOM 49 N3 DG A 2 0.636 5.993 3.982 1.00 0.48 N ATOM 50 C4 DG A 2 -0.670 5.949 4.331 1.00 0.46 C ATOM 0 H5' DG A 2 -1.415 6.315 10.368 1.00 0.57 H new ATOM 0 H5'' DG A 2 -1.352 8.027 10.735 1.00 0.57 H new ATOM 0 H4' DG A 2 0.446 7.390 9.274 1.00 0.55 H new ATOM 0 H3' DG A 2 -1.332 9.551 8.627 1.00 0.55 H new ATOM 0 H2' DG A 2 -1.936 8.804 6.454 1.00 0.51 H new ATOM 0 H2'' DG A 2 -0.308 9.303 6.039 1.00 0.51 H new ATOM 0 H1' DG A 2 0.573 7.159 6.250 1.00 0.50 H new ATOM 0 H8 DG A 2 -3.255 6.494 6.172 1.00 0.46 H new ATOM 0 H1 DG A 2 0.160 4.381 1.163 1.00 0.46 H new ATOM 0 H21 DG A 2 2.876 5.768 2.833 1.00 0.52 H new ATOM 0 H22 DG A 2 2.277 4.896 1.418 1.00 0.52 H new ATOM 62 P DC A 3 1.004 10.928 7.557 1.00 0.60 P ATOM 63 OP1 DC A 3 1.991 11.676 8.367 1.00 0.70 O ATOM 64 OP2 DC A 3 -0.285 11.559 7.196 1.00 0.64 O ATOM 65 O5' DC A 3 1.726 10.446 6.201 1.00 0.50 O ATOM 66 C5' DC A 3 2.974 9.747 6.252 1.00 0.45 C ATOM 67 C4' DC A 3 3.500 9.434 4.853 1.00 0.38 C ATOM 68 O4' DC A 3 2.508 8.716 4.122 1.00 0.36 O ATOM 69 C3' DC A 3 3.859 10.676 4.029 1.00 0.41 C ATOM 70 O3' DC A 3 5.257 10.652 3.714 1.00 0.45 O ATOM 71 C2' DC A 3 3.038 10.552 2.745 1.00 0.37 C ATOM 72 C1' DC A 3 2.625 9.088 2.756 1.00 0.34 C ATOM 73 N1 DC A 3 1.331 8.820 2.103 1.00 0.33 N ATOM 74 C2 DC A 3 1.360 8.227 0.851 1.00 0.36 C ATOM 75 O2 DC A 3 2.436 7.949 0.326 1.00 0.41 O ATOM 76 N3 DC A 3 0.175 7.967 0.233 1.00 0.37 N ATOM 77 C4 DC A 3 -0.989 8.277 0.819 1.00 0.36 C ATOM 78 N4 DC A 3 -2.131 8.009 0.184 1.00 0.40 N ATOM 79 C5 DC A 3 -1.022 8.889 2.113 1.00 0.36 C ATOM 80 C6 DC A 3 0.156 9.141 2.715 1.00 0.35 C ATOM 0 H5' DC A 3 2.850 8.819 6.811 1.00 0.45 H new ATOM 0 H5'' DC A 3 3.707 10.348 6.791 1.00 0.45 H new ATOM 0 H4' DC A 3 4.411 8.855 5.004 1.00 0.38 H new ATOM 0 H3' DC A 3 3.650 11.603 4.562 1.00 0.41 H new ATOM 0 H2' DC A 3 2.174 11.217 2.750 1.00 0.37 H new ATOM 0 H2'' DC A 3 3.626 10.801 1.862 1.00 0.37 H new ATOM 0 H1' DC A 3 3.374 8.524 2.200 1.00 0.34 H new ATOM 0 H41 DC A 3 -3.024 8.240 0.620 1.00 0.40 H new ATOM 0 H42 DC A 3 -2.112 7.573 -0.738 1.00 0.40 H new ATOM 0 H5 DC A 3 -1.958 9.140 2.589 1.00 0.36 H new ATOM 0 H6 DC A 3 0.170 9.602 3.692 1.00 0.35 H new ATOM 92 P DG A 4 5.946 11.892 2.947 1.00 0.53 P ATOM 93 OP1 DG A 4 7.375 11.939 3.329 1.00 0.64 O ATOM 94 OP2 DG A 4 5.093 13.085 3.139 1.00 0.59 O ATOM 95 O5' DG A 4 5.851 11.450 1.400 1.00 0.55 O ATOM 96 C5' DG A 4 6.766 10.492 0.858 1.00 0.57 C ATOM 97 C4' DG A 4 6.520 10.266 -0.632 1.00 0.58 C ATOM 98 O4' DG A 4 5.171 9.831 -0.835 1.00 0.56 O ATOM 99 C3' DG A 4 6.729 11.517 -1.489 1.00 0.61 C ATOM 100 O3' DG A 4 7.538 11.188 -2.625 1.00 0.68 O ATOM 101 C2' DG A 4 5.328 11.902 -1.945 1.00 0.59 C ATOM 102 C1' DG A 4 4.621 10.560 -1.930 1.00 0.57 C ATOM 103 N9 DG A 4 3.162 10.649 -1.730 1.00 0.54 N ATOM 104 C8 DG A 4 2.477 11.219 -0.690 1.00 0.55 C ATOM 105 N7 DG A 4 1.181 11.127 -0.795 1.00 0.53 N ATOM 106 C5 DG A 4 0.990 10.448 -1.994 1.00 0.51 C ATOM 107 C6 DG A 4 -0.217 10.060 -2.635 1.00 0.49 C ATOM 108 O6 DG A 4 -1.373 10.241 -2.259 1.00 0.50 O ATOM 109 N1 DG A 4 0.032 9.396 -3.828 1.00 0.52 N ATOM 110 C2 DG A 4 1.286 9.137 -4.343 1.00 0.55 C ATOM 111 N2 DG A 4 1.324 8.487 -5.506 1.00 0.59 N ATOM 112 N3 DG A 4 2.423 9.501 -3.740 1.00 0.55 N ATOM 113 C4 DG A 4 2.198 10.150 -2.574 1.00 0.53 C ATOM 0 H5' DG A 4 6.665 9.547 1.392 1.00 0.57 H new ATOM 0 H5'' DG A 4 7.789 10.837 1.011 1.00 0.57 H new ATOM 0 H4' DG A 4 7.249 9.518 -0.942 1.00 0.58 H new ATOM 0 H3' DG A 4 7.228 12.322 -0.949 1.00 0.61 H new ATOM 0 H2' DG A 4 4.860 12.619 -1.270 1.00 0.59 H new ATOM 0 H2'' DG A 4 5.330 12.353 -2.937 1.00 0.59 H new ATOM 0 H1' DG A 4 4.770 10.089 -2.901 1.00 0.57 H new ATOM 0 H8 DG A 4 2.967 11.702 0.143 1.00 0.55 H new ATOM 0 H1 DG A 4 -0.773 9.075 -4.365 1.00 0.52 H new ATOM 0 H21 DG A 4 2.221 8.266 -5.938 1.00 0.59 H new ATOM 0 H22 DG A 4 0.456 8.210 -5.964 1.00 0.59 H new ATOM 125 P DA A 5 7.886 12.305 -3.730 1.00 0.72 P ATOM 126 OP1 DA A 5 9.298 12.131 -4.140 1.00 0.83 O ATOM 127 OP2 DA A 5 7.421 13.616 -3.224 1.00 0.74 O ATOM 128 O5' DA A 5 6.947 11.883 -4.967 1.00 0.67 O ATOM 129 C5' DA A 5 7.267 10.740 -5.766 1.00 0.69 C ATOM 130 C4' DA A 5 6.340 10.624 -6.973 1.00 0.62 C ATOM 131 O4' DA A 5 4.989 10.480 -6.523 1.00 0.62 O ATOM 132 C3' DA A 5 6.385 11.838 -7.902 1.00 0.58 C ATOM 133 O3' DA A 5 6.432 11.400 -9.264 1.00 0.55 O ATOM 134 C2' DA A 5 5.074 12.561 -7.637 1.00 0.55 C ATOM 135 C1' DA A 5 4.168 11.415 -7.222 1.00 0.55 C ATOM 136 N9 DA A 5 3.073 11.812 -6.319 1.00 0.53 N ATOM 137 C8 DA A 5 3.139 12.550 -5.166 1.00 0.56 C ATOM 138 N7 DA A 5 1.984 12.728 -4.588 1.00 0.54 N ATOM 139 C5 DA A 5 1.089 12.063 -5.418 1.00 0.51 C ATOM 140 C6 DA A 5 -0.301 11.878 -5.360 1.00 0.51 C ATOM 141 N6 DA A 5 -1.061 12.373 -4.383 1.00 0.53 N ATOM 142 N1 DA A 5 -0.870 11.165 -6.347 1.00 0.51 N ATOM 143 C2 DA A 5 -0.105 10.676 -7.316 1.00 0.51 C ATOM 144 N3 DA A 5 1.204 10.781 -7.480 1.00 0.51 N ATOM 145 C4 DA A 5 1.745 11.500 -6.476 1.00 0.51 C ATOM 0 H5' DA A 5 7.191 9.838 -5.159 1.00 0.69 H new ATOM 0 H5'' DA A 5 8.301 10.810 -6.105 1.00 0.69 H new ATOM 0 H4' DA A 5 6.686 9.756 -7.534 1.00 0.62 H new ATOM 0 H3' DA A 5 7.256 12.471 -7.730 1.00 0.58 H new ATOM 0 H2' DA A 5 5.172 13.311 -6.852 1.00 0.55 H new ATOM 0 H2'' DA A 5 4.704 13.075 -8.524 1.00 0.55 H new ATOM 0 H1' DA A 5 3.702 11.014 -8.122 1.00 0.55 H new ATOM 0 H8 DA A 5 4.063 12.948 -4.772 1.00 0.56 H new ATOM 0 H61 DA A 5 -2.068 12.210 -4.388 1.00 0.53 H new ATOM 0 H62 DA A 5 -0.636 12.915 -3.631 1.00 0.53 H new ATOM 0 H2 DA A 5 -0.624 10.113 -8.078 1.00 0.51 H new ATOM 157 P DA A 6 6.577 12.470 -10.458 1.00 0.48 P ATOM 158 OP1 DA A 6 7.209 11.795 -11.613 1.00 0.54 O ATOM 159 OP2 DA A 6 7.183 13.702 -9.904 1.00 0.56 O ATOM 160 O5' DA A 6 5.046 12.790 -10.837 1.00 0.41 O ATOM 161 C5' DA A 6 4.318 11.918 -11.706 1.00 0.49 C ATOM 162 C4' DA A 6 2.938 12.478 -12.039 1.00 0.52 C ATOM 163 O4' DA A 6 2.159 12.586 -10.843 1.00 0.52 O ATOM 164 C3' DA A 6 2.970 13.872 -12.683 1.00 0.49 C ATOM 165 O3' DA A 6 2.156 13.869 -13.862 1.00 0.66 O ATOM 166 C2' DA A 6 2.349 14.784 -11.632 1.00 0.42 C ATOM 167 C1' DA A 6 1.441 13.812 -10.905 1.00 0.44 C ATOM 168 N9 DA A 6 1.089 14.215 -9.532 1.00 0.42 N ATOM 169 C8 DA A 6 1.916 14.575 -8.498 1.00 0.45 C ATOM 170 N7 DA A 6 1.281 14.910 -7.408 1.00 0.51 N ATOM 171 C5 DA A 6 -0.061 14.759 -7.745 1.00 0.47 C ATOM 172 C6 DA A 6 -1.251 14.958 -7.025 1.00 0.50 C ATOM 173 N6 DA A 6 -1.276 15.374 -5.758 1.00 0.59 N ATOM 174 N1 DA A 6 -2.407 14.711 -7.665 1.00 0.48 N ATOM 175 C2 DA A 6 -2.373 14.300 -8.926 1.00 0.47 C ATOM 176 N3 DA A 6 -1.327 14.080 -9.706 1.00 0.46 N ATOM 177 C4 DA A 6 -0.184 14.334 -9.036 1.00 0.43 C ATOM 0 H5' DA A 6 4.210 10.941 -11.235 1.00 0.49 H new ATOM 0 H5'' DA A 6 4.882 11.768 -12.627 1.00 0.49 H new ATOM 0 H4' DA A 6 2.507 11.781 -12.757 1.00 0.52 H new ATOM 0 H3' DA A 6 3.973 14.185 -12.971 1.00 0.49 H new ATOM 0 H2' DA A 6 3.098 15.222 -10.972 1.00 0.42 H new ATOM 0 H2'' DA A 6 1.796 15.610 -12.078 1.00 0.42 H new ATOM 0 H1' DA A 6 0.497 13.755 -11.446 1.00 0.44 H new ATOM 0 H8 DA A 6 2.993 14.581 -8.579 1.00 0.45 H new ATOM 0 H61 DA A 6 -2.168 15.503 -5.281 1.00 0.59 H new ATOM 0 H62 DA A 6 -0.403 15.564 -5.266 1.00 0.59 H new ATOM 0 H2 DA A 6 -3.336 14.119 -9.380 1.00 0.47 H new ATOM 189 P DG A 7 2.017 15.195 -14.768 1.00 0.77 P ATOM 190 OP1 DG A 7 1.451 14.803 -16.078 1.00 1.01 O ATOM 191 OP2 DG A 7 3.300 15.931 -14.710 1.00 0.78 O ATOM 192 O5' DG A 7 0.908 16.056 -13.978 1.00 0.67 O ATOM 193 C5' DG A 7 -0.468 15.661 -13.995 1.00 0.73 C ATOM 194 C4' DG A 7 -1.334 16.609 -13.168 1.00 0.68 C ATOM 195 O4' DG A 7 -0.776 16.745 -11.857 1.00 0.54 O ATOM 196 C3' DG A 7 -1.457 18.019 -13.758 1.00 0.76 C ATOM 197 O3' DG A 7 -2.836 18.403 -13.777 1.00 0.85 O ATOM 198 C2' DG A 7 -0.685 18.907 -12.789 1.00 0.68 C ATOM 199 C1' DG A 7 -0.807 18.124 -11.495 1.00 0.57 C ATOM 200 N9 DG A 7 0.288 18.364 -10.536 1.00 0.54 N ATOM 201 C8 DG A 7 1.631 18.490 -10.780 1.00 0.59 C ATOM 202 N7 DG A 7 2.346 18.696 -9.711 1.00 0.67 N ATOM 203 C5 DG A 7 1.412 18.709 -8.681 1.00 0.71 C ATOM 204 C6 DG A 7 1.600 18.893 -7.283 1.00 0.89 C ATOM 205 O6 DG A 7 2.650 19.085 -6.674 1.00 1.03 O ATOM 206 N1 DG A 7 0.395 18.835 -6.596 1.00 0.97 N ATOM 207 C2 DG A 7 -0.838 18.625 -7.178 1.00 0.89 C ATOM 208 N2 DG A 7 -1.885 18.602 -6.352 1.00 1.04 N ATOM 209 N3 DG A 7 -1.016 18.453 -8.490 1.00 0.71 N ATOM 210 C4 DG A 7 0.148 18.506 -9.177 1.00 0.62 C ATOM 0 H5' DG A 7 -0.561 14.648 -13.605 1.00 0.73 H new ATOM 0 H5'' DG A 7 -0.829 15.641 -15.023 1.00 0.73 H new ATOM 0 H4' DG A 7 -2.328 16.162 -13.156 1.00 0.68 H new ATOM 0 H3' DG A 7 -1.076 18.089 -14.777 1.00 0.76 H new ATOM 0 H2' DG A 7 0.354 19.038 -13.092 1.00 0.68 H new ATOM 0 H2'' DG A 7 -1.122 19.902 -12.708 1.00 0.68 H new ATOM 0 H1' DG A 7 -1.725 18.438 -10.998 1.00 0.57 H new ATOM 0 H8 DG A 7 2.058 18.424 -11.770 1.00 0.59 H new ATOM 0 H1 DG A 7 0.423 18.957 -5.584 1.00 0.97 H new ATOM 0 H21 DG A 7 -2.823 18.451 -6.722 1.00 1.04 H new ATOM 0 H22 DG A 7 -1.747 18.736 -5.350 1.00 1.04 H new ATOM 222 P DC A 8 -3.269 19.911 -14.145 1.00 0.97 P ATOM 223 OP1 DC A 8 -4.372 19.850 -15.129 1.00 1.15 O ATOM 224 OP2 DC A 8 -2.044 20.682 -14.455 1.00 0.97 O ATOM 225 O5' DC A 8 -3.867 20.455 -12.751 1.00 0.95 O ATOM 226 C5' DC A 8 -4.911 19.739 -12.084 1.00 0.97 C ATOM 227 C4' DC A 8 -5.308 20.411 -10.772 1.00 0.93 C ATOM 228 O4' DC A 8 -4.137 20.674 -9.996 1.00 0.88 O ATOM 229 C3' DC A 8 -6.047 21.744 -10.947 1.00 0.94 C ATOM 230 O3' DC A 8 -7.278 21.705 -10.212 1.00 0.87 O ATOM 231 C2' DC A 8 -5.113 22.786 -10.336 1.00 1.00 C ATOM 232 C1' DC A 8 -4.292 21.945 -9.376 1.00 0.93 C ATOM 233 N1 DC A 8 -2.947 22.478 -9.097 1.00 0.97 N ATOM 234 C2 DC A 8 -2.699 22.953 -7.820 1.00 0.93 C ATOM 235 O2 DC A 8 -3.587 22.923 -6.970 1.00 0.89 O ATOM 236 N3 DC A 8 -1.461 23.446 -7.543 1.00 0.99 N ATOM 237 C4 DC A 8 -0.506 23.473 -8.481 1.00 1.07 C ATOM 238 N4 DC A 8 0.696 23.962 -8.177 1.00 1.13 N ATOM 239 C5 DC A 8 -0.757 22.982 -9.802 1.00 1.13 C ATOM 240 C6 DC A 8 -1.985 22.496 -10.065 1.00 1.08 C ATOM 0 H5' DC A 8 -4.583 18.719 -11.885 1.00 0.97 H new ATOM 0 H5'' DC A 8 -5.781 19.673 -12.737 1.00 0.97 H new ATOM 0 H4' DC A 8 -5.988 19.714 -10.282 1.00 0.93 H new ATOM 0 H3' DC A 8 -6.285 21.961 -11.988 1.00 0.94 H new ATOM 0 H2' DC A 8 -4.492 23.269 -11.090 1.00 1.00 H new ATOM 0 H2'' DC A 8 -5.662 23.575 -9.821 1.00 1.00 H new ATOM 0 H1' DC A 8 -4.815 21.921 -8.420 1.00 0.93 H new ATOM 0 H41 DC A 8 1.430 23.987 -8.885 1.00 1.13 H new ATOM 0 H42 DC A 8 0.882 24.311 -7.237 1.00 1.13 H new ATOM 0 H5 DC A 8 0.011 23.001 -10.561 1.00 1.13 H new ATOM 0 H6 DC A 8 -2.211 22.117 -11.051 1.00 1.08 H new ATOM 252 P DA A 9 -8.254 22.987 -10.177 1.00 0.83 P ATOM 253 OP1 DA A 9 -8.348 23.532 -11.550 1.00 0.93 O ATOM 254 OP2 DA A 9 -7.828 23.864 -9.064 1.00 0.86 O ATOM 255 O5' DA A 9 -9.683 22.344 -9.793 1.00 0.70 O ATOM 256 C5' DA A 9 -10.004 22.033 -8.432 1.00 0.60 C ATOM 257 C4' DA A 9 -10.123 20.526 -8.215 1.00 0.45 C ATOM 258 O4' DA A 9 -8.915 19.892 -8.620 1.00 0.45 O ATOM 259 C3' DA A 9 -10.381 20.112 -6.757 1.00 0.40 C ATOM 260 O3' DA A 9 -11.622 19.395 -6.681 1.00 0.37 O ATOM 261 C2' DA A 9 -9.219 19.181 -6.401 1.00 0.42 C ATOM 262 C1' DA A 9 -8.710 18.772 -7.775 1.00 0.37 C ATOM 263 N9 DA A 9 -7.275 18.420 -7.848 1.00 0.40 N ATOM 264 C8 DA A 9 -6.237 18.791 -7.025 1.00 0.46 C ATOM 265 N7 DA A 9 -5.078 18.322 -7.397 1.00 0.49 N ATOM 266 C5 DA A 9 -5.366 17.591 -8.544 1.00 0.45 C ATOM 267 C6 DA A 9 -4.562 16.844 -9.421 1.00 0.50 C ATOM 268 N6 DA A 9 -3.246 16.709 -9.267 1.00 0.55 N ATOM 269 N1 DA A 9 -5.173 16.246 -10.459 1.00 0.55 N ATOM 270 C2 DA A 9 -6.485 16.388 -10.606 1.00 0.55 C ATOM 271 N3 DA A 9 -7.342 17.059 -9.854 1.00 0.48 N ATOM 272 C4 DA A 9 -6.701 17.645 -8.823 1.00 0.42 C ATOM 0 H5' DA A 9 -10.942 22.516 -8.159 1.00 0.60 H new ATOM 0 H5'' DA A 9 -9.234 22.437 -7.774 1.00 0.60 H new ATOM 0 H4' DA A 9 -10.984 20.217 -8.807 1.00 0.45 H new ATOM 0 H3' DA A 9 -10.444 20.966 -6.082 1.00 0.40 H new ATOM 0 H2' DA A 9 -8.452 19.690 -5.817 1.00 0.42 H new ATOM 0 H2'' DA A 9 -9.548 18.323 -5.816 1.00 0.42 H new ATOM 0 H1' DA A 9 -9.250 17.869 -8.059 1.00 0.37 H new ATOM 0 H8 DA A 9 -6.369 19.413 -6.152 1.00 0.46 H new ATOM 0 H61 DA A 9 -2.709 16.155 -9.934 1.00 0.55 H new ATOM 0 H62 DA A 9 -2.775 17.160 -8.482 1.00 0.55 H new ATOM 0 H2 DA A 9 -6.913 15.885 -11.460 1.00 0.55 H new ATOM 284 P DT A 10 -11.913 18.357 -5.481 1.00 0.45 P ATOM 285 OP1 DT A 10 -13.378 18.252 -5.300 1.00 0.53 O ATOM 286 OP2 DT A 10 -11.052 18.719 -4.332 1.00 0.53 O ATOM 287 O5' DT A 10 -11.382 16.964 -6.085 1.00 0.45 O ATOM 288 C5' DT A 10 -11.940 16.438 -7.293 1.00 0.45 C ATOM 289 C4' DT A 10 -11.057 15.342 -7.881 1.00 0.42 C ATOM 290 O4' DT A 10 -9.699 15.770 -7.861 1.00 0.38 O ATOM 291 C3' DT A 10 -11.120 14.015 -7.117 1.00 0.46 C ATOM 292 O3' DT A 10 -11.724 13.020 -7.952 1.00 0.49 O ATOM 293 C2' DT A 10 -9.662 13.639 -6.840 1.00 0.51 C ATOM 294 C1' DT A 10 -8.879 14.621 -7.702 1.00 0.44 C ATOM 295 N1 DT A 10 -7.604 15.060 -7.102 1.00 0.44 N ATOM 296 C2 DT A 10 -6.445 14.809 -7.809 1.00 0.46 C ATOM 297 O2 DT A 10 -6.454 14.253 -8.906 1.00 0.50 O ATOM 298 N3 DT A 10 -5.269 15.224 -7.212 1.00 0.51 N ATOM 299 C4 DT A 10 -5.156 15.859 -5.987 1.00 0.54 C ATOM 300 O4 DT A 10 -4.054 16.185 -5.550 1.00 0.63 O ATOM 301 C5 DT A 10 -6.419 16.081 -5.323 1.00 0.53 C ATOM 302 C7 DT A 10 -6.441 16.774 -3.964 1.00 0.62 C ATOM 303 C6 DT A 10 -7.579 15.685 -5.884 1.00 0.47 C ATOM 0 H5' DT A 10 -12.060 17.241 -8.020 1.00 0.45 H new ATOM 0 H5'' DT A 10 -12.934 16.039 -7.093 1.00 0.45 H new ATOM 0 H4' DT A 10 -11.432 15.170 -8.890 1.00 0.42 H new ATOM 0 H3' DT A 10 -11.703 14.091 -6.199 1.00 0.46 H new ATOM 0 H2' DT A 10 -9.413 13.743 -5.784 1.00 0.51 H new ATOM 0 H2'' DT A 10 -9.453 12.605 -7.116 1.00 0.51 H new ATOM 0 H1' DT A 10 -8.632 14.119 -8.637 1.00 0.44 H new ATOM 0 H3 DT A 10 -4.404 15.046 -7.722 1.00 0.51 H new ATOM 0 H71 DT A 10 -7.375 17.324 -3.851 1.00 0.62 H new ATOM 0 H72 DT A 10 -6.361 16.028 -3.174 1.00 0.62 H new ATOM 0 H73 DT A 10 -5.602 17.466 -3.895 1.00 0.62 H new ATOM 0 H6 DT A 10 -8.507 15.864 -5.362 1.00 0.47 H new ATOM 316 P DT A 11 -11.682 11.466 -7.535 1.00 0.56 P ATOM 317 OP1 DT A 11 -12.803 10.773 -8.209 1.00 0.66 O ATOM 318 OP2 DT A 11 -11.543 11.384 -6.064 1.00 0.60 O ATOM 319 O5' DT A 11 -10.306 10.962 -8.200 1.00 0.52 O ATOM 320 C5' DT A 11 -10.137 10.985 -9.620 1.00 0.50 C ATOM 321 C4' DT A 11 -8.827 10.325 -10.039 1.00 0.45 C ATOM 322 O4' DT A 11 -7.728 11.010 -9.434 1.00 0.43 O ATOM 323 C3' DT A 11 -8.721 8.849 -9.636 1.00 0.45 C ATOM 324 O3' DT A 11 -8.385 8.066 -10.787 1.00 0.46 O ATOM 325 C2' DT A 11 -7.578 8.807 -8.628 1.00 0.44 C ATOM 326 C1' DT A 11 -6.778 10.038 -9.012 1.00 0.42 C ATOM 327 N1 DT A 11 -5.992 10.620 -7.908 1.00 0.40 N ATOM 328 C2 DT A 11 -4.619 10.669 -8.059 1.00 0.41 C ATOM 329 O2 DT A 11 -4.056 10.246 -9.066 1.00 0.44 O ATOM 330 N3 DT A 11 -3.914 11.223 -7.006 1.00 0.42 N ATOM 331 C4 DT A 11 -4.456 11.724 -5.836 1.00 0.42 C ATOM 332 O4 DT A 11 -3.734 12.197 -4.963 1.00 0.44 O ATOM 333 C5 DT A 11 -5.896 11.630 -5.768 1.00 0.41 C ATOM 334 C7 DT A 11 -6.623 12.145 -4.531 1.00 0.44 C ATOM 335 C6 DT A 11 -6.607 11.094 -6.781 1.00 0.41 C ATOM 0 H5' DT A 11 -10.155 12.016 -9.973 1.00 0.50 H new ATOM 0 H5'' DT A 11 -10.973 10.471 -10.095 1.00 0.50 H new ATOM 0 H4' DT A 11 -8.804 10.382 -11.127 1.00 0.45 H new ATOM 0 H3' DT A 11 -9.650 8.455 -9.224 1.00 0.45 H new ATOM 0 H2' DT A 11 -7.938 8.858 -7.600 1.00 0.44 H new ATOM 0 H2'' DT A 11 -6.990 7.894 -8.715 1.00 0.44 H new ATOM 0 H1' DT A 11 -6.059 9.749 -9.778 1.00 0.42 H new ATOM 0 H3 DT A 11 -2.899 11.266 -7.101 1.00 0.42 H new ATOM 0 H71 DT A 11 -7.616 12.496 -4.812 1.00 0.44 H new ATOM 0 H72 DT A 11 -6.715 11.340 -3.802 1.00 0.44 H new ATOM 0 H73 DT A 11 -6.058 12.968 -4.093 1.00 0.44 H new ATOM 0 H6 DT A 11 -7.683 11.038 -6.701 1.00 0.41 H new ATOM 348 P DC A 12 -8.093 6.489 -10.646 1.00 0.46 P ATOM 349 OP1 DC A 12 -8.370 5.846 -11.949 1.00 0.51 O ATOM 350 OP2 DC A 12 -8.771 6.001 -9.424 1.00 0.51 O ATOM 351 O5' DC A 12 -6.504 6.447 -10.390 1.00 0.45 O ATOM 352 C5' DC A 12 -5.594 6.820 -11.428 1.00 0.45 C ATOM 353 C4' DC A 12 -4.143 6.707 -10.969 1.00 0.46 C ATOM 354 O4' DC A 12 -3.925 7.570 -9.851 1.00 0.47 O ATOM 355 C3' DC A 12 -3.738 5.293 -10.536 1.00 0.46 C ATOM 356 O3' DC A 12 -2.571 4.888 -11.264 1.00 0.55 O ATOM 357 C2' DC A 12 -3.404 5.426 -9.053 1.00 0.46 C ATOM 358 C1' DC A 12 -3.057 6.898 -8.947 1.00 0.46 C ATOM 359 N1 DC A 12 -3.254 7.480 -7.605 1.00 0.45 N ATOM 360 C2 DC A 12 -2.133 7.969 -6.953 1.00 0.48 C ATOM 361 O2 DC A 12 -1.030 7.901 -7.490 1.00 0.52 O ATOM 362 N3 DC A 12 -2.294 8.516 -5.717 1.00 0.49 N ATOM 363 C4 DC A 12 -3.503 8.581 -5.145 1.00 0.49 C ATOM 364 N4 DC A 12 -3.625 9.124 -3.933 1.00 0.52 N ATOM 365 C5 DC A 12 -4.662 8.077 -5.814 1.00 0.47 C ATOM 366 C6 DC A 12 -4.492 7.536 -7.037 1.00 0.45 C ATOM 0 H5' DC A 12 -5.799 7.844 -11.742 1.00 0.45 H new ATOM 0 H5'' DC A 12 -5.752 6.182 -12.298 1.00 0.45 H new ATOM 0 H4' DC A 12 -3.539 6.983 -11.833 1.00 0.46 H new ATOM 0 H3' DC A 12 -4.519 4.555 -10.721 1.00 0.46 H new ATOM 0 H2' DC A 12 -4.248 5.158 -8.418 1.00 0.46 H new ATOM 0 H2'' DC A 12 -2.570 4.787 -8.762 1.00 0.46 H new ATOM 0 H1' DC A 12 -1.996 7.012 -9.169 1.00 0.46 H new ATOM 0 H41 DC A 12 -4.541 9.178 -3.488 1.00 0.52 H new ATOM 0 H42 DC A 12 -2.802 9.485 -3.451 1.00 0.52 H new ATOM 0 H5 DC A 12 -5.639 8.128 -5.356 1.00 0.47 H new ATOM 0 H6 DC A 12 -5.344 7.143 -7.572 1.00 0.45 H new ATOM 378 P DG A 13 -1.978 3.397 -11.101 1.00 0.61 P ATOM 379 OP1 DG A 13 -1.307 3.023 -12.365 1.00 0.77 O ATOM 380 OP2 DG A 13 -3.046 2.533 -10.549 1.00 0.61 O ATOM 381 O5' DG A 13 -0.850 3.588 -9.967 1.00 0.57 O ATOM 382 C5' DG A 13 0.455 4.064 -10.312 1.00 0.59 C ATOM 383 C4' DG A 13 1.348 4.198 -9.081 1.00 0.52 C ATOM 384 O4' DG A 13 0.718 5.050 -8.117 1.00 0.50 O ATOM 385 C3' DG A 13 1.643 2.865 -8.384 1.00 0.46 C ATOM 386 O3' DG A 13 3.055 2.738 -8.185 1.00 0.47 O ATOM 387 C2' DG A 13 0.937 2.975 -7.038 1.00 0.41 C ATOM 388 C1' DG A 13 0.912 4.476 -6.827 1.00 0.42 C ATOM 389 N9 DG A 13 -0.178 4.941 -5.949 1.00 0.39 N ATOM 390 C8 DG A 13 -1.530 4.804 -6.118 1.00 0.40 C ATOM 391 N7 DG A 13 -2.241 5.319 -5.155 1.00 0.38 N ATOM 392 C5 DG A 13 -1.292 5.836 -4.280 1.00 0.36 C ATOM 393 C6 DG A 13 -1.471 6.516 -3.045 1.00 0.36 C ATOM 394 O6 DG A 13 -2.523 6.800 -2.476 1.00 0.37 O ATOM 395 N1 DG A 13 -0.254 6.868 -2.478 1.00 0.37 N ATOM 396 C2 DG A 13 0.982 6.601 -3.028 1.00 0.39 C ATOM 397 N2 DG A 13 2.040 7.017 -2.332 1.00 0.43 N ATOM 398 N3 DG A 13 1.152 5.960 -4.189 1.00 0.38 N ATOM 399 C4 DG A 13 -0.025 5.609 -4.756 1.00 0.37 C ATOM 0 H5' DG A 13 0.371 5.031 -10.808 1.00 0.59 H new ATOM 0 H5'' DG A 13 0.916 3.379 -11.024 1.00 0.59 H new ATOM 0 H4' DG A 13 2.290 4.608 -9.445 1.00 0.52 H new ATOM 0 H3' DG A 13 1.308 2.001 -8.959 1.00 0.46 H new ATOM 0 H2' DG A 13 -0.066 2.549 -7.065 1.00 0.41 H new ATOM 0 H2'' DG A 13 1.481 2.459 -6.247 1.00 0.41 H new ATOM 0 H1' DG A 13 1.842 4.771 -6.341 1.00 0.42 H new ATOM 0 H8 DG A 13 -1.968 4.312 -6.974 1.00 0.40 H new ATOM 0 H1 DG A 13 -0.276 7.362 -1.586 1.00 0.37 H new ATOM 0 H21 DG A 13 2.982 6.849 -2.686 1.00 0.43 H new ATOM 0 H22 DG A 13 1.908 7.503 -1.445 1.00 0.43 H new ATOM 411 P DC A 14 3.663 1.462 -7.413 1.00 0.41 P ATOM 412 OP1 DC A 14 4.939 1.089 -8.064 1.00 0.48 O ATOM 413 OP2 DC A 14 2.587 0.456 -7.267 1.00 0.50 O ATOM 414 O5' DC A 14 3.996 2.058 -5.955 1.00 0.39 O ATOM 415 C5' DC A 14 4.995 3.069 -5.798 1.00 0.46 C ATOM 416 C4' DC A 14 5.202 3.432 -4.330 1.00 0.55 C ATOM 417 O4' DC A 14 3.961 3.852 -3.762 1.00 0.52 O ATOM 418 C3' DC A 14 5.724 2.275 -3.469 1.00 0.62 C ATOM 419 O3' DC A 14 6.943 2.670 -2.832 1.00 0.82 O ATOM 420 C2' DC A 14 4.640 2.047 -2.419 1.00 0.58 C ATOM 421 C1' DC A 14 3.912 3.379 -2.424 1.00 0.54 C ATOM 422 N1 DC A 14 2.495 3.297 -2.022 1.00 0.46 N ATOM 423 C2 DC A 14 2.141 3.876 -0.815 1.00 0.48 C ATOM 424 O2 DC A 14 2.994 4.431 -0.126 1.00 0.59 O ATOM 425 N3 DC A 14 0.838 3.809 -0.425 1.00 0.43 N ATOM 426 C4 DC A 14 -0.078 3.198 -1.189 1.00 0.40 C ATOM 427 N4 DC A 14 -1.345 3.149 -0.777 1.00 0.43 N ATOM 428 C5 DC A 14 0.285 2.602 -2.437 1.00 0.41 C ATOM 429 C6 DC A 14 1.575 2.673 -2.813 1.00 0.41 C ATOM 0 H5' DC A 14 4.703 3.959 -6.356 1.00 0.46 H new ATOM 0 H5'' DC A 14 5.936 2.720 -6.223 1.00 0.46 H new ATOM 0 H4' DC A 14 5.953 4.222 -4.327 1.00 0.55 H new ATOM 0 H3' DC A 14 5.927 1.377 -4.052 1.00 0.62 H new ATOM 0 H2' DC A 14 3.981 1.221 -2.685 1.00 0.58 H new ATOM 0 H2'' DC A 14 5.061 1.816 -1.441 1.00 0.58 H new ATOM 0 H1' DC A 14 4.398 4.032 -1.699 1.00 0.54 H new ATOM 0 H41 DC A 14 -2.050 2.686 -1.351 1.00 0.43 H new ATOM 0 H42 DC A 14 -1.609 3.574 0.112 1.00 0.43 H new ATOM 0 H5 DC A 14 -0.451 2.112 -3.057 1.00 0.41 H new ATOM 0 H6 DC A 14 1.885 2.232 -3.749 1.00 0.41 H new ATOM 441 P DG A 15 7.632 1.726 -1.724 1.00 1.00 P ATOM 442 OP1 DG A 15 9.100 1.815 -1.885 1.00 1.22 O ATOM 443 OP2 DG A 15 6.965 0.405 -1.761 1.00 0.99 O ATOM 444 O5' DG A 15 7.232 2.453 -0.343 1.00 1.02 O ATOM 445 C5' DG A 15 7.736 3.757 -0.039 1.00 1.13 C ATOM 446 C4' DG A 15 7.556 4.099 1.438 1.00 1.21 C ATOM 447 O4' DG A 15 6.164 4.045 1.777 1.00 1.07 O ATOM 448 C3' DG A 15 8.275 3.145 2.385 1.00 1.34 C ATOM 449 O3' DG A 15 8.716 3.820 3.569 1.00 1.50 O ATOM 450 C2' DG A 15 7.198 2.126 2.700 1.00 1.22 C ATOM 451 C1' DG A 15 5.971 3.018 2.757 1.00 1.10 C ATOM 452 N9 DG A 15 4.705 2.331 2.445 1.00 0.93 N ATOM 453 C8 DG A 15 4.419 1.497 1.396 1.00 0.84 C ATOM 454 N7 DG A 15 3.194 1.051 1.394 1.00 0.74 N ATOM 455 C5 DG A 15 2.625 1.630 2.524 1.00 0.74 C ATOM 456 C6 DG A 15 1.306 1.510 3.041 1.00 0.68 C ATOM 457 O6 DG A 15 0.366 0.858 2.590 1.00 0.65 O ATOM 458 N1 DG A 15 1.146 2.255 4.201 1.00 0.72 N ATOM 459 C2 DG A 15 2.128 3.022 4.792 1.00 0.83 C ATOM 460 N2 DG A 15 1.784 3.668 5.906 1.00 0.88 N ATOM 461 N3 DG A 15 3.368 3.136 4.307 1.00 0.91 N ATOM 462 C4 DG A 15 3.543 2.414 3.174 1.00 0.85 C ATOM 0 H5' DG A 15 7.221 4.498 -0.650 1.00 1.13 H new ATOM 0 H5'' DG A 15 8.793 3.809 -0.299 1.00 1.13 H new ATOM 0 H4' DG A 15 7.984 5.094 1.561 1.00 1.21 H new ATOM 0 H3' DG A 15 9.177 2.707 1.959 1.00 1.34 H new ATOM 0 H2' DG A 15 7.116 1.359 1.929 1.00 1.22 H new ATOM 0 H2'' DG A 15 7.379 1.611 3.644 1.00 1.22 H new ATOM 0 HO3' DG A 15 9.172 3.183 4.158 1.00 1.50 H new ATOM 0 H1' DG A 15 5.879 3.387 3.779 1.00 1.10 H new ATOM 0 H8 DG A 15 5.143 1.233 0.639 1.00 0.84 H new ATOM 0 H1 DG A 15 0.231 2.234 4.651 1.00 0.72 H new ATOM 0 H21 DG A 15 2.467 4.251 6.389 1.00 0.88 H new ATOM 0 H22 DG A 15 0.837 3.579 6.275 1.00 0.88 H new TER 475 DG A 15