USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 178 hydrogens (38 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 DA O5' : rot 64:sc= -0.502! USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.218 (180deg=-0.218) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.167 (180deg=-0.167) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 11 DA O5' : rot 66:sc= -0.305! USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.204 (180deg=-0.204) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.165 (180deg=-0.165) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 4.161 -11.582 -5.913 1.00 0.62 O ATOM 2 C5' DA A 1 4.600 -11.921 -7.232 1.00 0.61 C ATOM 3 C4' DA A 1 4.221 -10.842 -8.243 1.00 0.49 C ATOM 4 O4' DA A 1 2.787 -10.698 -8.323 1.00 0.46 O ATOM 5 C3' DA A 1 4.810 -9.497 -7.841 1.00 0.40 C ATOM 6 O3' DA A 1 5.574 -8.940 -8.919 1.00 0.35 O ATOM 7 C2' DA A 1 3.634 -8.621 -7.496 1.00 0.33 C ATOM 8 C1' DA A 1 2.380 -9.436 -7.757 1.00 0.35 C ATOM 9 N9 DA A 1 1.611 -9.653 -6.519 1.00 0.35 N ATOM 10 C8 DA A 1 2.031 -10.066 -5.300 1.00 0.39 C ATOM 11 N7 DA A 1 1.140 -10.209 -4.377 1.00 0.41 N ATOM 12 C5 DA A 1 -0.026 -9.848 -5.057 1.00 0.37 C ATOM 13 C6 DA A 1 -1.365 -9.776 -4.666 1.00 0.39 C ATOM 14 N6 DA A 1 -1.784 -10.084 -3.440 1.00 0.43 N ATOM 15 N1 DA A 1 -2.258 -9.381 -5.590 1.00 0.42 N ATOM 16 C2 DA A 1 -1.861 -9.075 -6.827 1.00 0.43 C ATOM 17 N3 DA A 1 -0.623 -9.110 -7.304 1.00 0.39 N ATOM 18 C4 DA A 1 0.253 -9.508 -6.361 1.00 0.35 C ATOM 0 H5' DA A 1 4.158 -12.872 -7.530 1.00 0.61 H new ATOM 0 H5'' DA A 1 5.681 -12.058 -7.233 1.00 0.61 H new ATOM 0 H4' DA A 1 4.619 -11.149 -9.210 1.00 0.49 H new ATOM 0 H3' DA A 1 5.492 -9.590 -6.996 1.00 0.40 H new ATOM 0 H2' DA A 1 3.680 -8.308 -6.453 1.00 0.33 H new ATOM 0 H2'' DA A 1 3.638 -7.715 -8.102 1.00 0.33 H new ATOM 0 HO5' DA A 1 3.182 -11.538 -5.895 1.00 0.62 H new ATOM 0 H1' DA A 1 1.729 -8.897 -8.445 1.00 0.35 H new ATOM 0 H8 DA A 1 3.074 -10.269 -5.107 1.00 0.39 H new ATOM 0 H61 DA A 1 -2.775 -10.014 -3.207 1.00 0.43 H new ATOM 0 H62 DA A 1 -1.114 -10.390 -2.734 1.00 0.43 H new ATOM 0 H2 DA A 1 -2.633 -8.765 -7.516 1.00 0.43 H new ATOM 31 P DT A 2 6.371 -7.553 -8.739 1.00 0.34 P ATOM 32 OP1 DT A 2 7.261 -7.378 -9.909 1.00 0.40 O ATOM 33 OP2 DT A 2 6.936 -7.510 -7.372 1.00 0.45 O ATOM 34 O5' DT A 2 5.191 -6.473 -8.840 1.00 0.28 O ATOM 35 C5' DT A 2 4.518 -6.261 -10.082 1.00 0.26 C ATOM 36 C4' DT A 2 3.301 -5.371 -9.902 1.00 0.24 C ATOM 37 O4' DT A 2 2.289 -6.028 -9.107 1.00 0.22 O ATOM 38 C3' DT A 2 3.688 -4.084 -9.189 1.00 0.24 C ATOM 39 O3' DT A 2 3.647 -2.964 -10.077 1.00 0.32 O ATOM 40 C2' DT A 2 2.693 -3.931 -8.072 1.00 0.21 C ATOM 41 C1' DT A 2 1.700 -5.066 -8.213 1.00 0.19 C ATOM 42 N1 DT A 2 1.385 -5.653 -6.895 1.00 0.17 N ATOM 43 C2 DT A 2 0.056 -5.715 -6.527 1.00 0.19 C ATOM 44 O2 DT A 2 -0.849 -5.357 -7.276 1.00 0.26 O ATOM 45 N3 DT A 2 -0.201 -6.210 -5.266 1.00 0.20 N ATOM 46 C4 DT A 2 0.737 -6.646 -4.352 1.00 0.21 C ATOM 47 O4 DT A 2 0.385 -7.061 -3.249 1.00 0.27 O ATOM 48 C5 DT A 2 2.102 -6.552 -4.824 1.00 0.21 C ATOM 49 C7 DT A 2 3.244 -7.004 -3.918 1.00 0.30 C ATOM 50 C6 DT A 2 2.377 -6.069 -6.055 1.00 0.18 C ATOM 0 H5' DT A 2 4.212 -7.220 -10.501 1.00 0.26 H new ATOM 0 H5'' DT A 2 5.203 -5.805 -10.797 1.00 0.26 H new ATOM 0 H4' DT A 2 2.909 -5.156 -10.896 1.00 0.24 H new ATOM 0 H3' DT A 2 4.710 -4.126 -8.814 1.00 0.24 H new ATOM 0 H2' DT A 2 3.190 -3.971 -7.103 1.00 0.21 H new ATOM 0 H2'' DT A 2 2.189 -2.966 -8.132 1.00 0.21 H new ATOM 0 H1' DT A 2 0.752 -4.714 -8.619 1.00 0.19 H new ATOM 0 H3 DT A 2 -1.179 -6.259 -4.981 1.00 0.20 H new ATOM 0 H71 DT A 2 4.069 -7.371 -4.528 1.00 0.30 H new ATOM 0 H72 DT A 2 3.585 -6.163 -3.315 1.00 0.30 H new ATOM 0 H73 DT A 2 2.895 -7.802 -3.263 1.00 0.30 H new ATOM 0 H6 DT A 2 3.405 -6.011 -6.382 1.00 0.18 H new ATOM 63 P DG A 3 3.928 -1.478 -9.528 1.00 0.37 P ATOM 64 OP1 DG A 3 4.302 -0.621 -10.675 1.00 0.49 O ATOM 65 OP2 DG A 3 4.825 -1.576 -8.352 1.00 0.39 O ATOM 66 O5' DG A 3 2.476 -1.029 -9.010 1.00 0.34 O ATOM 67 C5' DG A 3 1.382 -0.896 -9.930 1.00 0.35 C ATOM 68 C4' DG A 3 0.369 0.140 -9.476 1.00 0.31 C ATOM 69 O4' DG A 3 -0.211 -0.235 -8.206 1.00 0.30 O ATOM 70 C3' DG A 3 1.030 1.502 -9.310 1.00 0.31 C ATOM 71 O3' DG A 3 0.565 2.417 -10.313 1.00 0.34 O ATOM 72 C2' DG A 3 0.666 1.963 -7.922 1.00 0.31 C ATOM 73 C1' DG A 3 -0.241 0.905 -7.324 1.00 0.28 C ATOM 74 N9 DG A 3 0.195 0.541 -5.964 1.00 0.27 N ATOM 75 C8 DG A 3 1.442 0.418 -5.467 1.00 0.27 C ATOM 76 N7 DG A 3 1.566 0.082 -4.219 1.00 0.27 N ATOM 77 C5 DG A 3 0.222 -0.028 -3.829 1.00 0.27 C ATOM 78 C6 DG A 3 -0.346 -0.365 -2.567 1.00 0.29 C ATOM 79 O6 DG A 3 0.231 -0.632 -1.512 1.00 0.31 O ATOM 80 N1 DG A 3 -1.734 -0.358 -2.616 1.00 0.31 N ATOM 81 C2 DG A 3 -2.490 -0.061 -3.734 1.00 0.31 C ATOM 82 N2 DG A 3 -3.813 -0.070 -3.577 1.00 0.35 N ATOM 83 N3 DG A 3 -1.965 0.253 -4.917 1.00 0.29 N ATOM 84 C4 DG A 3 -0.617 0.252 -4.897 1.00 0.27 C ATOM 0 H5' DG A 3 0.886 -1.860 -10.043 1.00 0.35 H new ATOM 0 H5'' DG A 3 1.767 -0.618 -10.911 1.00 0.35 H new ATOM 0 H4' DG A 3 -0.407 0.193 -10.239 1.00 0.31 H new ATOM 0 H3' DG A 3 2.112 1.449 -9.432 1.00 0.31 H new ATOM 0 H2' DG A 3 1.560 2.093 -7.312 1.00 0.31 H new ATOM 0 H2'' DG A 3 0.161 2.928 -7.957 1.00 0.31 H new ATOM 0 H1' DG A 3 -1.259 1.283 -7.231 1.00 0.28 H new ATOM 0 H8 DG A 3 2.309 0.593 -6.086 1.00 0.27 H new ATOM 0 H1 DG A 3 -2.235 -0.591 -1.759 1.00 0.31 H new ATOM 0 H21 DG A 3 -4.422 0.142 -4.368 1.00 0.35 H new ATOM 0 H22 DG A 3 -4.217 -0.289 -2.666 1.00 0.35 H new ATOM 96 P DC A 4 0.731 4.010 -10.136 1.00 0.32 P ATOM 97 OP1 DC A 4 0.630 4.639 -11.469 1.00 0.39 O ATOM 98 OP2 DC A 4 1.914 4.269 -9.284 1.00 0.33 O ATOM 99 O5' DC A 4 -0.587 4.388 -9.298 1.00 0.29 O ATOM 100 C5' DC A 4 -1.884 4.080 -9.818 1.00 0.32 C ATOM 101 C4' DC A 4 -2.978 4.400 -8.809 1.00 0.35 C ATOM 102 O4' DC A 4 -2.849 3.571 -7.632 1.00 0.41 O ATOM 103 C3' DC A 4 -2.889 5.854 -8.378 1.00 0.33 C ATOM 104 O3' DC A 4 -3.984 6.618 -8.895 1.00 0.40 O ATOM 105 C2' DC A 4 -2.896 5.835 -6.875 1.00 0.37 C ATOM 106 C1' DC A 4 -2.905 4.383 -6.440 1.00 0.40 C ATOM 107 N1 DC A 4 -1.756 4.105 -5.552 1.00 0.36 N ATOM 108 C2 DC A 4 -2.022 3.679 -4.258 1.00 0.40 C ATOM 109 O2 DC A 4 -3.178 3.536 -3.871 1.00 0.48 O ATOM 110 N3 DC A 4 -0.971 3.439 -3.431 1.00 0.35 N ATOM 111 C4 DC A 4 0.288 3.607 -3.848 1.00 0.29 C ATOM 112 N4 DC A 4 1.290 3.376 -2.999 1.00 0.28 N ATOM 113 C5 DC A 4 0.569 4.043 -5.180 1.00 0.27 C ATOM 114 C6 DC A 4 -0.479 4.280 -5.993 1.00 0.30 C ATOM 0 H5' DC A 4 -1.930 3.024 -10.084 1.00 0.32 H new ATOM 0 H5'' DC A 4 -2.054 4.647 -10.733 1.00 0.32 H new ATOM 0 H4' DC A 4 -3.937 4.208 -9.291 1.00 0.35 H new ATOM 0 H3' DC A 4 -1.987 6.329 -8.765 1.00 0.33 H new ATOM 0 H2' DC A 4 -2.019 6.348 -6.481 1.00 0.37 H new ATOM 0 H2'' DC A 4 -3.771 6.357 -6.489 1.00 0.37 H new ATOM 0 H1' DC A 4 -3.810 4.155 -5.876 1.00 0.40 H new ATOM 0 H41 DC A 4 2.255 3.500 -3.304 1.00 0.28 H new ATOM 0 H42 DC A 4 1.091 3.075 -2.045 1.00 0.28 H new ATOM 0 H5 DC A 4 1.584 4.178 -5.522 1.00 0.27 H new ATOM 0 H6 DC A 4 -0.305 4.612 -7.006 1.00 0.30 H new ATOM 126 P DA A 5 -4.035 8.213 -8.687 1.00 0.40 P ATOM 127 OP1 DA A 5 -4.912 8.788 -9.730 1.00 0.50 O ATOM 128 OP2 DA A 5 -2.649 8.709 -8.532 1.00 0.36 O ATOM 129 O5' DA A 5 -4.782 8.350 -7.268 1.00 0.41 O ATOM 130 C5' DA A 5 -6.114 7.854 -7.106 1.00 0.46 C ATOM 131 C4' DA A 5 -6.837 8.521 -5.941 1.00 0.46 C ATOM 132 O4' DA A 5 -6.153 8.279 -4.694 1.00 0.40 O ATOM 133 C3' DA A 5 -6.923 10.023 -6.148 1.00 0.50 C ATOM 134 O3' DA A 5 -8.251 10.420 -6.513 1.00 0.61 O ATOM 135 C2' DA A 5 -6.513 10.634 -4.838 1.00 0.45 C ATOM 136 C1' DA A 5 -6.071 9.501 -3.932 1.00 0.39 C ATOM 137 N9 DA A 5 -4.700 9.727 -3.452 1.00 0.32 N ATOM 138 C8 DA A 5 -3.635 10.223 -4.117 1.00 0.31 C ATOM 139 N7 DA A 5 -2.523 10.338 -3.467 1.00 0.28 N ATOM 140 C5 DA A 5 -2.890 9.857 -2.203 1.00 0.25 C ATOM 141 C6 DA A 5 -2.183 9.696 -1.005 1.00 0.25 C ATOM 142 N6 DA A 5 -0.890 9.993 -0.875 1.00 0.27 N ATOM 143 N1 DA A 5 -2.855 9.197 0.048 1.00 0.26 N ATOM 144 C2 DA A 5 -4.144 8.871 -0.067 1.00 0.28 C ATOM 145 N3 DA A 5 -4.907 8.980 -1.149 1.00 0.30 N ATOM 146 C4 DA A 5 -4.214 9.484 -2.188 1.00 0.28 C ATOM 0 H5' DA A 5 -6.082 6.777 -6.943 1.00 0.46 H new ATOM 0 H5'' DA A 5 -6.677 8.021 -8.025 1.00 0.46 H new ATOM 0 H4' DA A 5 -7.837 8.090 -5.901 1.00 0.46 H new ATOM 0 H3' DA A 5 -6.278 10.353 -6.962 1.00 0.50 H new ATOM 0 H2' DA A 5 -5.703 11.348 -4.984 1.00 0.45 H new ATOM 0 H2'' DA A 5 -7.344 11.181 -4.392 1.00 0.45 H new ATOM 0 H1' DA A 5 -6.713 9.442 -3.053 1.00 0.39 H new ATOM 0 H8 DA A 5 -3.709 10.513 -5.155 1.00 0.31 H new ATOM 0 H61 DA A 5 -0.423 9.857 0.021 1.00 0.27 H new ATOM 0 H62 DA A 5 -0.368 10.357 -1.672 1.00 0.27 H new ATOM 0 H2 DA A 5 -4.620 8.475 0.818 1.00 0.28 H new ATOM 158 P DT A 6 -8.685 11.973 -6.475 1.00 0.69 P ATOM 159 OP1 DT A 6 -10.016 12.096 -7.109 1.00 0.83 O ATOM 160 OP2 DT A 6 -7.553 12.787 -6.974 1.00 0.71 O ATOM 161 O5' DT A 6 -8.851 12.249 -4.897 1.00 0.63 O ATOM 162 C5' DT A 6 -9.863 11.571 -4.145 1.00 0.64 C ATOM 163 C4' DT A 6 -9.808 11.937 -2.665 1.00 0.60 C ATOM 164 O4' DT A 6 -8.559 11.513 -2.080 1.00 0.53 O ATOM 165 C3' DT A 6 -9.935 13.443 -2.469 1.00 0.66 C ATOM 166 O3' DT A 6 -11.166 13.773 -1.815 1.00 0.74 O ATOM 167 C2' DT A 6 -8.751 13.846 -1.631 1.00 0.61 C ATOM 168 C1' DT A 6 -8.022 12.568 -1.260 1.00 0.51 C ATOM 169 N1 DT A 6 -6.562 12.701 -1.459 1.00 0.47 N ATOM 170 C2 DT A 6 -5.741 12.397 -0.388 1.00 0.44 C ATOM 171 O2 DT A 6 -6.182 12.021 0.696 1.00 0.49 O ATOM 172 N3 DT A 6 -4.386 12.535 -0.607 1.00 0.43 N ATOM 173 C4 DT A 6 -3.786 12.943 -1.782 1.00 0.42 C ATOM 174 O4 DT A 6 -2.563 13.025 -1.859 1.00 0.43 O ATOM 175 C5 DT A 6 -4.718 13.239 -2.846 1.00 0.46 C ATOM 176 C7 DT A 6 -4.190 13.709 -4.201 1.00 0.52 C ATOM 177 C6 DT A 6 -6.047 13.112 -2.658 1.00 0.48 C ATOM 0 H5' DT A 6 -9.740 10.494 -4.258 1.00 0.64 H new ATOM 0 H5'' DT A 6 -10.845 11.824 -4.546 1.00 0.64 H new ATOM 0 H4' DT A 6 -10.641 11.430 -2.178 1.00 0.60 H new ATOM 0 H3' DT A 6 -9.946 13.971 -3.422 1.00 0.66 H new ATOM 0 H2' DT A 6 -8.096 14.518 -2.185 1.00 0.61 H new ATOM 0 H2'' DT A 6 -9.074 14.380 -0.738 1.00 0.61 H new ATOM 0 HO3' DT A 6 -11.224 14.744 -1.699 1.00 0.74 H new ATOM 0 H1' DT A 6 -8.171 12.346 -0.203 1.00 0.51 H new ATOM 0 H3 DT A 6 -3.768 12.315 0.174 1.00 0.43 H new ATOM 0 H71 DT A 6 -4.872 13.388 -4.988 1.00 0.52 H new ATOM 0 H72 DT A 6 -4.117 14.797 -4.206 1.00 0.52 H new ATOM 0 H73 DT A 6 -3.204 13.279 -4.376 1.00 0.52 H new ATOM 0 H6 DT A 6 -6.720 13.340 -3.472 1.00 0.48 H new TER 191 DT A 6 ATOM 192 O5' DA B 11 2.004 12.906 6.441 1.00 0.62 O ATOM 193 C5' DA B 11 1.492 13.246 7.732 1.00 0.61 C ATOM 194 C4' DA B 11 0.337 12.334 8.135 1.00 0.49 C ATOM 195 O4' DA B 11 -0.768 12.474 7.217 1.00 0.46 O ATOM 196 C3' DA B 11 0.775 10.876 8.131 1.00 0.40 C ATOM 197 O3' DA B 11 0.489 10.260 9.393 1.00 0.36 O ATOM 198 C2' DA B 11 0.002 10.220 7.016 1.00 0.34 C ATOM 199 C1' DA B 11 -0.918 11.276 6.429 1.00 0.36 C ATOM 200 N9 DA B 11 -0.589 11.548 5.016 1.00 0.35 N ATOM 201 C8 DA B 11 0.613 11.785 4.435 1.00 0.39 C ATOM 202 N7 DA B 11 0.625 12.031 3.168 1.00 0.41 N ATOM 203 C5 DA B 11 -0.734 11.949 2.854 1.00 0.36 C ATOM 204 C6 DA B 11 -1.441 12.107 1.659 1.00 0.38 C ATOM 205 N6 DA B 11 -0.854 12.403 0.500 1.00 0.42 N ATOM 206 N1 DA B 11 -2.775 11.956 1.704 1.00 0.41 N ATOM 207 C2 DA B 11 -3.384 11.669 2.858 1.00 0.42 C ATOM 208 N3 DA B 11 -2.815 11.500 4.045 1.00 0.38 N ATOM 209 C4 DA B 11 -1.478 11.655 3.973 1.00 0.35 C ATOM 0 H5' DA B 11 1.154 14.282 7.729 1.00 0.61 H new ATOM 0 H5'' DA B 11 2.290 13.173 8.471 1.00 0.61 H new ATOM 0 H4' DA B 11 0.027 12.626 9.138 1.00 0.49 H new ATOM 0 H3' DA B 11 1.849 10.777 7.977 1.00 0.40 H new ATOM 0 H2' DA B 11 0.679 9.832 6.254 1.00 0.34 H new ATOM 0 H2'' DA B 11 -0.573 9.374 7.392 1.00 0.34 H new ATOM 0 HO5' DA B 11 1.319 13.079 5.762 1.00 0.62 H new ATOM 0 H1' DA B 11 -1.949 10.923 6.456 1.00 0.36 H new ATOM 0 H8 DA B 11 1.526 11.769 5.011 1.00 0.39 H new ATOM 0 H61 DA B 11 -1.416 12.508 -0.344 1.00 0.42 H new ATOM 0 H62 DA B 11 0.158 12.525 0.457 1.00 0.42 H new ATOM 0 H2 DA B 11 -4.458 11.563 2.821 1.00 0.42 H new ATOM 222 P DT B 12 0.918 8.738 9.689 1.00 0.35 P ATOM 223 OP1 DT B 12 0.732 8.478 11.134 1.00 0.41 O ATOM 224 OP2 DT B 12 2.236 8.491 9.061 1.00 0.45 O ATOM 225 O5' DT B 12 -0.195 7.913 8.883 1.00 0.29 O ATOM 226 C5' DT B 12 -1.554 7.922 9.326 1.00 0.26 C ATOM 227 C4' DT B 12 -2.469 7.270 8.303 1.00 0.24 C ATOM 228 O4' DT B 12 -2.532 8.050 7.089 1.00 0.22 O ATOM 229 C3' DT B 12 -1.954 5.885 7.937 1.00 0.24 C ATOM 230 O3' DT B 12 -2.792 4.860 8.477 1.00 0.32 O ATOM 231 C2' DT B 12 -1.944 5.844 6.433 1.00 0.22 C ATOM 232 C1' DT B 12 -2.532 7.158 5.959 1.00 0.19 C ATOM 233 N1 DT B 12 -1.754 7.700 4.825 1.00 0.16 N ATOM 234 C2 DT B 12 -2.444 7.990 3.664 1.00 0.19 C ATOM 235 O2 DT B 12 -3.662 7.865 3.579 1.00 0.26 O ATOM 236 N3 DT B 12 -1.685 8.436 2.603 1.00 0.20 N ATOM 237 C4 DT B 12 -0.317 8.618 2.597 1.00 0.21 C ATOM 238 O4 DT B 12 0.254 9.015 1.582 1.00 0.26 O ATOM 239 C5 DT B 12 0.323 8.298 3.855 1.00 0.21 C ATOM 240 C7 DT B 12 1.835 8.458 3.995 1.00 0.30 C ATOM 241 C6 DT B 12 -0.398 7.860 4.908 1.00 0.18 C ATOM 0 H5' DT B 12 -1.875 8.949 9.503 1.00 0.26 H new ATOM 0 H5'' DT B 12 -1.633 7.395 10.277 1.00 0.26 H new ATOM 0 H4' DT B 12 -3.459 7.204 8.753 1.00 0.24 H new ATOM 0 H3' DT B 12 -0.961 5.706 8.350 1.00 0.24 H new ATOM 0 H2' DT B 12 -0.929 5.715 6.056 1.00 0.22 H new ATOM 0 H2'' DT B 12 -2.530 5.002 6.065 1.00 0.22 H new ATOM 0 H1' DT B 12 -3.549 7.025 5.591 1.00 0.19 H new ATOM 0 H3 DT B 12 -2.182 8.652 1.739 1.00 0.20 H new ATOM 0 H71 DT B 12 2.081 8.702 5.029 1.00 0.30 H new ATOM 0 H72 DT B 12 2.327 7.527 3.715 1.00 0.30 H new ATOM 0 H73 DT B 12 2.178 9.260 3.342 1.00 0.30 H new ATOM 0 H6 DT B 12 0.106 7.631 5.835 1.00 0.18 H new ATOM 254 P DG B 13 -2.501 3.313 8.145 1.00 0.37 P ATOM 255 OP1 DG B 13 -3.170 2.483 9.172 1.00 0.49 O ATOM 256 OP2 DG B 13 -1.049 3.154 7.893 1.00 0.38 O ATOM 257 O5' DG B 13 -3.273 3.115 6.751 1.00 0.34 O ATOM 258 C5' DG B 13 -4.699 3.260 6.680 1.00 0.35 C ATOM 259 C4' DG B 13 -5.309 2.407 5.581 1.00 0.31 C ATOM 260 O4' DG B 13 -4.796 2.795 4.287 1.00 0.30 O ATOM 261 C3' DG B 13 -4.984 0.935 5.797 1.00 0.31 C ATOM 262 O3' DG B 13 -6.164 0.200 6.150 1.00 0.34 O ATOM 263 C2' DG B 13 -4.398 0.454 4.494 1.00 0.31 C ATOM 264 C1' DG B 13 -4.441 1.622 3.529 1.00 0.28 C ATOM 265 N9 DG B 13 -3.141 1.799 2.853 1.00 0.27 N ATOM 266 C8 DG B 13 -1.888 1.648 3.338 1.00 0.27 C ATOM 267 N7 DG B 13 -0.898 1.865 2.528 1.00 0.28 N ATOM 268 C5 DG B 13 -1.576 2.201 1.346 1.00 0.27 C ATOM 269 C6 DG B 13 -1.067 2.551 0.062 1.00 0.29 C ATOM 270 O6 DG B 13 0.107 2.627 -0.305 1.00 0.32 O ATOM 271 N1 DG B 13 -2.093 2.813 -0.838 1.00 0.31 N ATOM 272 C2 DG B 13 -3.442 2.746 -0.548 1.00 0.31 C ATOM 273 N2 DG B 13 -4.279 2.997 -1.554 1.00 0.35 N ATOM 274 N3 DG B 13 -3.924 2.421 0.651 1.00 0.29 N ATOM 275 C4 DG B 13 -2.948 2.163 1.544 1.00 0.27 C ATOM 0 H5' DG B 13 -4.948 4.307 6.505 1.00 0.35 H new ATOM 0 H5'' DG B 13 -5.139 2.984 7.638 1.00 0.35 H new ATOM 0 H4' DG B 13 -6.388 2.559 5.615 1.00 0.31 H new ATOM 0 H3' DG B 13 -4.284 0.789 6.619 1.00 0.31 H new ATOM 0 H2' DG B 13 -3.374 0.109 4.636 1.00 0.31 H new ATOM 0 H2'' DG B 13 -4.967 -0.390 4.104 1.00 0.31 H new ATOM 0 H1' DG B 13 -5.177 1.441 2.746 1.00 0.28 H new ATOM 0 H8 DG B 13 -1.717 1.357 4.364 1.00 0.27 H new ATOM 0 H1 DG B 13 -1.829 3.075 -1.788 1.00 0.31 H new ATOM 0 H21 DG B 13 -5.287 2.962 -1.400 1.00 0.35 H new ATOM 0 H22 DG B 13 -3.912 3.224 -2.478 1.00 0.35 H new ATOM 287 P DC B 14 -6.227 -1.404 6.006 1.00 0.32 P ATOM 288 OP1 DC B 14 -7.316 -1.907 6.869 1.00 0.40 O ATOM 289 OP2 DC B 14 -4.856 -1.944 6.156 1.00 0.33 O ATOM 290 O5' DC B 14 -6.673 -1.582 4.472 1.00 0.28 O ATOM 291 C5' DC B 14 -7.892 -0.995 4.005 1.00 0.32 C ATOM 292 C4' DC B 14 -8.052 -1.171 2.501 1.00 0.35 C ATOM 293 O4' DC B 14 -7.011 -0.468 1.789 1.00 0.40 O ATOM 294 C3' DC B 14 -7.972 -2.643 2.130 1.00 0.33 C ATOM 295 O3' DC B 14 -9.246 -3.143 1.713 1.00 0.40 O ATOM 296 C2' DC B 14 -6.961 -2.731 1.018 1.00 0.37 C ATOM 297 C1' DC B 14 -6.399 -1.336 0.811 1.00 0.39 C ATOM 298 N1 DC B 14 -4.928 -1.345 0.955 1.00 0.35 N ATOM 299 C2 DC B 14 -4.166 -0.969 -0.141 1.00 0.40 C ATOM 300 O2 DC B 14 -4.703 -0.634 -1.193 1.00 0.49 O ATOM 301 N3 DC B 14 -2.812 -0.992 -0.023 1.00 0.36 N ATOM 302 C4 DC B 14 -2.226 -1.369 1.119 1.00 0.29 C ATOM 303 N4 DC B 14 -0.895 -1.394 1.187 1.00 0.28 N ATOM 304 C5 DC B 14 -3.005 -1.756 2.253 1.00 0.27 C ATOM 305 C6 DC B 14 -4.346 -1.730 2.127 1.00 0.30 C ATOM 0 H5' DC B 14 -7.905 0.067 4.252 1.00 0.32 H new ATOM 0 H5'' DC B 14 -8.738 -1.452 4.519 1.00 0.32 H new ATOM 0 H4' DC B 14 -9.025 -0.766 2.224 1.00 0.35 H new ATOM 0 H3' DC B 14 -7.677 -3.252 2.984 1.00 0.33 H new ATOM 0 H2' DC B 14 -6.167 -3.432 1.275 1.00 0.37 H new ATOM 0 H2'' DC B 14 -7.426 -3.098 0.103 1.00 0.37 H new ATOM 0 H1' DC B 14 -6.621 -0.979 -0.195 1.00 0.39 H new ATOM 0 H41 DC B 14 -0.434 -1.679 2.051 1.00 0.28 H new ATOM 0 H42 DC B 14 -0.338 -1.128 0.375 1.00 0.28 H new ATOM 0 H5 DC B 14 -2.536 -2.058 3.177 1.00 0.27 H new ATOM 0 H6 DC B 14 -4.967 -2.017 2.963 1.00 0.30 H new ATOM 317 P DA B 15 -9.444 -4.709 1.400 1.00 0.40 P ATOM 318 OP1 DA B 15 -10.882 -5.030 1.532 1.00 0.50 O ATOM 319 OP2 DA B 15 -8.443 -5.471 2.180 1.00 0.37 O ATOM 320 O5' DA B 15 -9.048 -4.800 -0.157 1.00 0.42 O ATOM 321 C5' DA B 15 -9.797 -4.069 -1.134 1.00 0.47 C ATOM 322 C4' DA B 15 -9.652 -4.667 -2.531 1.00 0.47 C ATOM 323 O4' DA B 15 -8.275 -4.650 -2.965 1.00 0.40 O ATOM 324 C3' DA B 15 -10.134 -6.108 -2.555 1.00 0.50 C ATOM 325 O3' DA B 15 -11.402 -6.217 -3.212 1.00 0.61 O ATOM 326 C2' DA B 15 -9.070 -6.878 -3.292 1.00 0.45 C ATOM 327 C1' DA B 15 -7.932 -5.915 -3.566 1.00 0.39 C ATOM 328 N9 DA B 15 -6.670 -6.434 -3.012 1.00 0.31 N ATOM 329 C8 DA B 15 -6.447 -7.078 -1.843 1.00 0.31 C ATOM 330 N7 DA B 15 -5.238 -7.447 -1.586 1.00 0.28 N ATOM 331 C5 DA B 15 -4.560 -6.995 -2.724 1.00 0.25 C ATOM 332 C6 DA B 15 -3.219 -7.057 -3.116 1.00 0.24 C ATOM 333 N6 DA B 15 -2.265 -7.604 -2.363 1.00 0.27 N ATOM 334 N1 DA B 15 -2.895 -6.515 -4.303 1.00 0.26 N ATOM 335 C2 DA B 15 -3.831 -5.940 -5.061 1.00 0.28 C ATOM 336 N3 DA B 15 -5.126 -5.825 -4.787 1.00 0.30 N ATOM 337 C4 DA B 15 -5.426 -6.377 -3.596 1.00 0.28 C ATOM 0 H5' DA B 15 -9.461 -3.032 -1.147 1.00 0.47 H new ATOM 0 H5'' DA B 15 -10.850 -4.060 -0.851 1.00 0.47 H new ATOM 0 H4' DA B 15 -10.258 -4.057 -3.201 1.00 0.47 H new ATOM 0 H3' DA B 15 -10.283 -6.498 -1.548 1.00 0.50 H new ATOM 0 H2' DA B 15 -8.724 -7.723 -2.697 1.00 0.45 H new ATOM 0 H2'' DA B 15 -9.464 -7.284 -4.224 1.00 0.45 H new ATOM 0 H1' DA B 15 -7.787 -5.793 -4.639 1.00 0.39 H new ATOM 0 H8 DA B 15 -7.252 -7.276 -1.151 1.00 0.31 H new ATOM 0 H61 DA B 15 -1.301 -7.624 -2.696 1.00 0.27 H new ATOM 0 H62 DA B 15 -2.499 -8.003 -1.454 1.00 0.27 H new ATOM 0 H2 DA B 15 -3.499 -5.522 -6.000 1.00 0.28 H new ATOM 349 P DT B 16 -11.979 -7.656 -3.654 1.00 0.69 P ATOM 350 OP1 DT B 16 -13.380 -7.477 -4.094 1.00 0.84 O ATOM 351 OP2 DT B 16 -11.660 -8.634 -2.589 1.00 0.72 O ATOM 352 O5' DT B 16 -11.085 -8.005 -4.948 1.00 0.63 O ATOM 353 C5' DT B 16 -11.175 -7.202 -6.130 1.00 0.64 C ATOM 354 C4' DT B 16 -10.205 -7.674 -7.208 1.00 0.59 C ATOM 355 O4' DT B 16 -8.839 -7.539 -6.764 1.00 0.52 O ATOM 356 C3' DT B 16 -10.447 -9.139 -7.556 1.00 0.65 C ATOM 357 O3' DT B 16 -10.947 -9.272 -8.891 1.00 0.73 O ATOM 358 C2' DT B 16 -9.111 -9.819 -7.409 1.00 0.61 C ATOM 359 C1' DT B 16 -8.099 -8.732 -7.088 1.00 0.51 C ATOM 360 N1 DT B 16 -7.219 -9.129 -5.968 1.00 0.47 N ATOM 361 C2 DT B 16 -5.852 -9.064 -6.177 1.00 0.45 C ATOM 362 O2 DT B 16 -5.365 -8.688 -7.241 1.00 0.50 O ATOM 363 N3 DT B 16 -5.059 -9.443 -5.115 1.00 0.43 N ATOM 364 C4 DT B 16 -5.499 -9.874 -3.880 1.00 0.43 C ATOM 365 O4 DT B 16 -4.694 -10.182 -3.006 1.00 0.45 O ATOM 366 C5 DT B 16 -6.939 -9.911 -3.748 1.00 0.46 C ATOM 367 C7 DT B 16 -7.563 -10.376 -2.435 1.00 0.52 C ATOM 368 C6 DT B 16 -7.738 -9.546 -4.771 1.00 0.48 C ATOM 0 H5' DT B 16 -10.964 -6.162 -5.880 1.00 0.64 H new ATOM 0 H5'' DT B 16 -12.194 -7.236 -6.517 1.00 0.64 H new ATOM 0 H4' DT B 16 -10.375 -7.051 -8.086 1.00 0.59 H new ATOM 0 H3' DT B 16 -11.196 -9.587 -6.903 1.00 0.65 H new ATOM 0 H2' DT B 16 -9.142 -10.565 -6.615 1.00 0.61 H new ATOM 0 H2'' DT B 16 -8.840 -10.341 -8.327 1.00 0.61 H new ATOM 0 HO3' DT B 16 -11.093 -10.220 -9.093 1.00 0.73 H new ATOM 0 H1' DT B 16 -7.449 -8.559 -7.946 1.00 0.51 H new ATOM 0 H3 DT B 16 -4.050 -9.401 -5.256 1.00 0.43 H new ATOM 0 H71 DT B 16 -8.520 -9.876 -2.290 1.00 0.52 H new ATOM 0 H72 DT B 16 -7.719 -11.454 -2.468 1.00 0.52 H new ATOM 0 H73 DT B 16 -6.896 -10.131 -1.608 1.00 0.52 H new ATOM 0 H6 DT B 16 -8.810 -9.583 -4.644 1.00 0.48 H new TER 382 DT B 16 HETATM 383 C1 XR2 A 21 1.356 -3.270 -3.516 1.00 0.18 C HETATM 384 C2 XR2 A 21 1.414 -2.894 -4.851 1.00 0.20 C HETATM 385 C3 XR2 A 21 0.255 -2.781 -5.603 1.00 0.21 C HETATM 386 C4 XR2 A 21 -0.972 -3.063 -5.008 1.00 0.20 C HETATM 387 C12 XR2 A 21 -1.033 -3.455 -3.667 1.00 0.18 C HETATM 388 C11 XR2 A 21 0.140 -3.559 -2.921 1.00 0.17 C HETATM 389 N5 XR2 A 21 -2.252 -3.713 -3.167 1.00 0.19 N HETATM 390 N10 XR2 A 21 0.051 -3.947 -1.609 1.00 0.18 N HETATM 391 C13 XR2 A 21 -2.306 -4.090 -1.878 1.00 0.19 C HETATM 392 C14 XR2 A 21 -1.185 -4.219 -1.066 1.00 0.19 C HETATM 393 C6 XR2 A 21 -3.572 -4.361 -1.355 1.00 0.22 C HETATM 394 C7 XR2 A 21 -3.719 -4.762 -0.025 1.00 0.24 C HETATM 395 C8 XR2 A 21 -2.592 -4.888 0.783 1.00 0.24 C HETATM 396 C9 XR2 A 21 -1.349 -4.628 0.293 1.00 0.21 C HETATM 397 C9A XR2 A 21 -0.137 -4.785 1.213 1.00 0.25 C HETATM 398 C XR2 A 21 2.650 -3.265 -2.731 1.00 0.20 C HETATM 399 O XR2 A 21 2.660 -3.769 -1.607 1.00 0.22 O HETATM 400 N XR2 A 21 3.429 -2.242 -2.991 1.00 0.21 N HETATM 401 CA XR2 A 21 4.586 -1.879 -2.120 1.00 0.27 C HETATM 402 CB XR2 A 21 3.977 -1.110 -0.934 1.00 0.33 C HETATM 403 NG XR2 A 21 2.885 -0.255 -1.510 1.00 0.32 N HETATM 404 CD XR2 A 21 2.798 0.974 -0.663 1.00 0.40 C HETATM 405 N' XR2 A 21 1.696 3.696 3.064 1.00 0.22 N HETATM 406 C' XR2 A 21 1.507 4.828 2.429 1.00 0.20 C HETATM 407 O' XR2 A 21 2.367 5.240 1.649 1.00 0.22 O HETATM 408 C1' XR2 A 21 0.054 5.136 2.136 1.00 0.18 C HETATM 409 C2' XR2 A 21 -0.874 4.850 3.127 1.00 0.20 C HETATM 410 C3' XR2 A 21 -2.233 5.014 2.894 1.00 0.21 C HETATM 411 C4' XR2 A 21 -2.654 5.484 1.650 1.00 0.20 C HETATM 412 CCX XR2 A 21 -1.718 5.784 0.652 1.00 0.18 C HETATM 413 N5' XR2 A 21 -2.204 6.235 -0.516 1.00 0.19 N HETATM 414 CDX XR2 A 21 -1.301 6.523 -1.471 1.00 0.18 C HETATM 415 CEX XR2 A 21 0.071 6.378 -1.302 1.00 0.17 C HETATM 416 NAX XR2 A 21 0.536 5.914 -0.093 1.00 0.17 N HETATM 417 CBX XR2 A 21 -0.359 5.609 0.902 1.00 0.17 C HETATM 418 C9' XR2 A 21 0.948 6.714 -2.379 1.00 0.19 C HETATM 419 C8' XR2 A 21 0.440 7.173 -3.555 1.00 0.21 C HETATM 420 C7' XR2 A 21 -0.934 7.324 -3.728 1.00 0.22 C HETATM 421 C6' XR2 A 21 -1.801 6.995 -2.686 1.00 0.20 C HETATM 422 C9X XR2 A 21 2.463 6.571 -2.227 1.00 0.23 C HETATM 423 CA' XR2 A 21 3.040 3.058 3.175 1.00 0.27 C HETATM 424 CB' XR2 A 21 3.261 2.338 1.833 1.00 0.33 C HETATM 425 NG' XR2 A 21 1.933 1.750 1.452 1.00 0.32 N HETATM 426 CD' XR2 A 21 2.212 0.503 0.677 1.00 0.40 C HETATM 0 HG2' XR2 A 21 1.379 1.542 2.283 1.00 0.32 H new HETATM 0 HG1' XR2 A 21 1.394 2.410 0.892 1.00 0.32 H new HETATM 0 HD2' XR2 A 21 1.301 -0.076 0.525 1.00 0.40 H new HETATM 0 HD1' XR2 A 21 2.914 -0.140 1.208 1.00 0.40 H new HETATM 0 HB2' XR2 A 21 3.612 3.034 1.071 1.00 0.33 H new HETATM 0 HB1' XR2 A 21 4.019 1.560 1.928 1.00 0.33 H new HETATM 0 HA2' XR2 A 21 3.815 3.803 3.354 1.00 0.27 H new HETATM 0 HA1' XR2 A 21 3.074 2.356 4.008 1.00 0.27 H new HETATM 0 H93' XR2 A 21 2.808 7.204 -1.409 1.00 0.23 H new HETATM 0 H92' XR2 A 21 2.710 5.532 -2.011 1.00 0.23 H new HETATM 0 H91' XR2 A 21 2.952 6.875 -3.153 1.00 0.23 H new HETATM 0 H10' XR2 A 21 1.537 5.798 0.063 1.00 0.17 H new HETATM 0 HN' XR2 A 21 0.896 3.236 3.497 1.00 0.22 H new HETATM 0 HN XR2 A 21 3.238 -1.675 -3.817 1.00 0.21 H new HETATM 0 HG2 XR2 A 21 3.091 -0.011 -2.479 1.00 0.32 H new HETATM 0 HG1 XR2 A 21 1.997 -0.756 -1.511 1.00 0.32 H new HETATM 0 HD2 XR2 A 21 3.780 1.427 -0.525 1.00 0.40 H new HETATM 0 HD1 XR2 A 21 2.162 1.727 -1.127 1.00 0.40 H new HETATM 0 HB2 XR2 A 21 3.581 -1.797 -0.186 1.00 0.33 H new HETATM 0 HB1 XR2 A 21 4.730 -0.498 -0.438 1.00 0.33 H new HETATM 0 HA2 XR2 A 21 5.117 -2.768 -1.781 1.00 0.27 H new HETATM 0 HA1 XR2 A 21 5.306 -1.264 -2.659 1.00 0.27 H new HETATM 0 H93 XR2 A 21 0.539 -5.534 0.800 1.00 0.25 H new HETATM 0 H92 XR2 A 21 0.384 -3.831 1.294 1.00 0.25 H new HETATM 0 H91 XR2 A 21 -0.469 -5.102 2.202 1.00 0.25 H new HETATM 0 H8' XR2 A 21 1.116 7.426 -4.372 1.00 0.21 H new HETATM 0 H8 XR2 A 21 -2.707 -5.199 1.821 1.00 0.24 H new HETATM 0 H7' XR2 A 21 -1.330 7.697 -4.673 1.00 0.22 H new HETATM 0 H7 XR2 A 21 -4.709 -4.975 0.378 1.00 0.24 H new HETATM 0 H6' XR2 A 21 -2.877 7.107 -2.821 1.00 0.20 H new HETATM 0 H6 XR2 A 21 -4.452 -4.259 -1.989 1.00 0.22 H new HETATM 0 H4' XR2 A 21 -3.718 5.619 1.453 1.00 0.20 H new HETATM 0 H4 XR2 A 21 -1.889 -2.978 -5.590 1.00 0.20 H new HETATM 0 H3' XR2 A 21 -2.960 4.779 3.672 1.00 0.21 H new HETATM 0 H3 XR2 A 21 0.304 -2.475 -6.648 1.00 0.21 H new HETATM 0 H2' XR2 A 21 -0.533 4.493 4.099 1.00 0.20 H new HETATM 0 H2 XR2 A 21 2.379 -2.686 -5.312 1.00 0.20 H new HETATM 0 H10 XR2 A 21 0.893 -4.033 -1.040 1.00 0.18 H new