USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 173 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 -130:sc= 0.818 USER MOD Single : A 3 DT C7 :methyl -30:sc=-0.00748 (180deg=-0.0605) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.866 (180deg=-2.99!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.222 (180deg=-0.222) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.135) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.344 2.597 -11.836 1.00 0.42 O ATOM 2 C5' DG A 1 9.263 2.479 -13.260 1.00 0.36 C ATOM 3 C4' DG A 1 9.450 1.033 -13.701 1.00 0.27 C ATOM 4 O4' DG A 1 10.735 0.494 -13.261 1.00 0.23 O ATOM 5 C3' DG A 1 8.368 0.076 -13.118 1.00 0.19 C ATOM 6 O3' DG A 1 8.042 -0.980 -14.025 1.00 0.17 O ATOM 7 C2' DG A 1 9.204 -0.465 -11.976 1.00 0.21 C ATOM 8 C1' DG A 1 10.540 -0.764 -12.595 1.00 0.18 C ATOM 9 N9 DG A 1 11.633 -1.156 -11.655 1.00 0.19 N ATOM 10 C8 DG A 1 12.988 -1.182 -11.841 1.00 0.22 C ATOM 11 N7 DG A 1 13.638 -1.601 -10.800 1.00 0.21 N ATOM 12 C5 DG A 1 12.657 -1.871 -9.854 1.00 0.16 C ATOM 13 C6 DG A 1 12.768 -2.349 -8.522 1.00 0.16 C ATOM 14 O6 DG A 1 13.785 -2.584 -7.885 1.00 0.18 O ATOM 15 N1 DG A 1 11.529 -2.484 -7.931 1.00 0.16 N ATOM 16 C2 DG A 1 10.332 -2.177 -8.546 1.00 0.16 C ATOM 17 N2 DG A 1 9.203 -2.339 -7.898 1.00 0.22 N ATOM 18 N3 DG A 1 10.224 -1.725 -9.779 1.00 0.17 N ATOM 19 C4 DG A 1 11.427 -1.596 -10.372 1.00 0.17 C ATOM 0 H5' DG A 1 10.025 3.106 -13.724 1.00 0.36 H new ATOM 0 H5'' DG A 1 8.296 2.845 -13.604 1.00 0.36 H new ATOM 0 H4' DG A 1 9.380 1.071 -14.788 1.00 0.27 H new ATOM 0 H3' DG A 1 7.407 0.530 -12.877 1.00 0.19 H new ATOM 0 H2' DG A 1 9.294 0.264 -11.170 1.00 0.21 H new ATOM 0 H2'' DG A 1 8.756 -1.361 -11.546 1.00 0.21 H new ATOM 0 HO5' DG A 1 8.575 3.108 -11.506 1.00 0.42 H new ATOM 0 H1' DG A 1 10.564 -1.652 -13.227 1.00 0.18 H new ATOM 0 H8 DG A 1 13.468 -0.884 -12.761 1.00 0.22 H new ATOM 0 H1 DG A 1 11.495 -2.835 -6.974 1.00 0.16 H new ATOM 0 H21 DG A 1 8.318 -2.112 -8.351 1.00 0.22 H new ATOM 0 H22 DG A 1 9.210 -2.691 -6.941 1.00 0.22 H new ATOM 32 P DG A 2 7.071 -2.227 -13.639 1.00 0.20 P ATOM 33 OP1 DG A 2 6.224 -2.590 -14.797 1.00 0.32 O ATOM 34 OP2 DG A 2 6.418 -1.904 -12.358 1.00 0.26 O ATOM 35 O5' DG A 2 8.120 -3.440 -13.365 1.00 0.25 O ATOM 36 C5' DG A 2 9.034 -3.925 -14.361 1.00 0.25 C ATOM 37 C4' DG A 2 9.849 -5.147 -13.897 1.00 0.22 C ATOM 38 O4' DG A 2 10.593 -4.827 -12.681 1.00 0.25 O ATOM 39 C3' DG A 2 8.919 -6.344 -13.598 1.00 0.18 C ATOM 40 O3' DG A 2 9.457 -7.652 -13.927 1.00 0.22 O ATOM 41 C2' DG A 2 8.814 -6.091 -12.115 1.00 0.15 C ATOM 42 C1' DG A 2 10.233 -5.773 -11.679 1.00 0.20 C ATOM 43 N9 DG A 2 10.529 -5.552 -10.244 1.00 0.19 N ATOM 44 C8 DG A 2 9.677 -5.309 -9.198 1.00 0.21 C ATOM 45 N7 DG A 2 10.264 -5.233 -8.054 1.00 0.22 N ATOM 46 C5 DG A 2 11.586 -5.441 -8.331 1.00 0.19 C ATOM 47 C6 DG A 2 12.658 -5.469 -7.428 1.00 0.20 C ATOM 48 O6 DG A 2 12.593 -5.341 -6.213 1.00 0.23 O ATOM 49 N1 DG A 2 13.849 -5.700 -8.059 1.00 0.21 N ATOM 50 C2 DG A 2 14.006 -5.888 -9.412 1.00 0.21 C ATOM 51 N2 DG A 2 15.249 -6.105 -9.839 1.00 0.28 N ATOM 52 N3 DG A 2 12.980 -5.872 -10.269 1.00 0.20 N ATOM 53 C4 DG A 2 11.787 -5.641 -9.663 1.00 0.18 C ATOM 0 H5' DG A 2 9.719 -3.123 -14.636 1.00 0.25 H new ATOM 0 H5'' DG A 2 8.475 -4.189 -15.259 1.00 0.25 H new ATOM 0 H4' DG A 2 10.538 -5.410 -14.700 1.00 0.22 H new ATOM 0 H3' DG A 2 7.995 -6.387 -14.175 1.00 0.18 H new ATOM 0 H2' DG A 2 8.139 -5.263 -11.901 1.00 0.15 H new ATOM 0 H2'' DG A 2 8.424 -6.964 -11.591 1.00 0.15 H new ATOM 0 H1' DG A 2 10.913 -6.624 -11.648 1.00 0.20 H new ATOM 0 H8 DG A 2 8.611 -5.192 -9.322 1.00 0.21 H new ATOM 0 H1 DG A 2 14.688 -5.736 -7.480 1.00 0.21 H new ATOM 0 H21 DG A 2 15.429 -6.252 -10.832 1.00 0.28 H new ATOM 0 H22 DG A 2 16.021 -6.125 -9.173 1.00 0.28 H new ATOM 65 P DT A 3 9.703 -8.871 -12.895 1.00 0.20 P ATOM 66 OP1 DT A 3 10.820 -8.502 -12.002 1.00 0.25 O ATOM 67 OP2 DT A 3 9.807 -10.083 -13.722 1.00 0.28 O ATOM 68 O5' DT A 3 8.372 -9.063 -12.005 1.00 0.28 O ATOM 69 C5' DT A 3 7.437 -10.150 -12.087 1.00 0.21 C ATOM 70 C4' DT A 3 6.027 -9.656 -12.455 1.00 0.20 C ATOM 71 O4' DT A 3 6.041 -8.814 -13.651 1.00 0.25 O ATOM 72 C3' DT A 3 5.359 -8.822 -11.329 1.00 0.20 C ATOM 73 O3' DT A 3 6.281 -8.064 -10.523 1.00 0.17 O ATOM 74 C2' DT A 3 4.642 -7.815 -12.259 1.00 0.23 C ATOM 75 C1' DT A 3 5.691 -7.455 -13.291 1.00 0.21 C ATOM 76 N1 DT A 3 5.254 -6.562 -14.384 1.00 0.26 N ATOM 77 C2 DT A 3 5.199 -5.216 -14.104 1.00 0.27 C ATOM 78 O2 DT A 3 5.406 -4.745 -13.004 1.00 0.32 O ATOM 79 N3 DT A 3 4.854 -4.418 -15.158 1.00 0.37 N ATOM 80 C4 DT A 3 4.556 -4.830 -16.439 1.00 0.47 C ATOM 81 O4 DT A 3 4.281 -4.029 -17.322 1.00 0.58 O ATOM 82 C5 DT A 3 4.628 -6.232 -16.633 1.00 0.49 C ATOM 83 C7 DT A 3 4.255 -6.763 -17.989 1.00 0.65 C ATOM 84 C6 DT A 3 4.973 -7.049 -15.626 1.00 0.39 C ATOM 0 H5' DT A 3 7.402 -10.674 -11.132 1.00 0.21 H new ATOM 0 H5'' DT A 3 7.778 -10.869 -12.832 1.00 0.21 H new ATOM 0 H4' DT A 3 5.456 -10.569 -12.624 1.00 0.20 H new ATOM 0 H3' DT A 3 4.793 -9.419 -10.614 1.00 0.20 H new ATOM 0 H2' DT A 3 3.761 -8.258 -12.724 1.00 0.23 H new ATOM 0 H2'' DT A 3 4.304 -6.936 -11.710 1.00 0.23 H new ATOM 0 H1' DT A 3 6.514 -6.825 -12.953 1.00 0.21 H new ATOM 0 H3 DT A 3 4.813 -3.415 -14.978 1.00 0.37 H new ATOM 0 H71 DT A 3 3.511 -6.109 -18.444 1.00 0.65 H new ATOM 0 H72 DT A 3 5.142 -6.799 -18.622 1.00 0.65 H new ATOM 0 H73 DT A 3 3.842 -7.766 -17.886 1.00 0.65 H new ATOM 0 H6 DT A 3 5.029 -8.113 -15.803 1.00 0.39 H new ATOM 97 P DT A 4 5.861 -7.106 -9.306 1.00 0.15 P ATOM 98 OP1 DT A 4 4.474 -6.641 -9.469 1.00 0.25 O ATOM 99 OP2 DT A 4 6.950 -6.135 -9.152 1.00 0.23 O ATOM 100 O5' DT A 4 5.926 -8.121 -8.083 1.00 0.24 O ATOM 101 C5' DT A 4 5.086 -9.277 -8.026 1.00 0.20 C ATOM 102 C4' DT A 4 5.146 -10.002 -6.686 1.00 0.19 C ATOM 103 O4' DT A 4 6.511 -10.457 -6.404 1.00 0.22 O ATOM 104 C3' DT A 4 4.768 -9.145 -5.451 1.00 0.22 C ATOM 105 O3' DT A 4 4.438 -10.003 -4.344 1.00 0.26 O ATOM 106 C2' DT A 4 6.190 -8.556 -5.199 1.00 0.19 C ATOM 107 C1' DT A 4 7.194 -9.736 -5.328 1.00 0.19 C ATOM 108 N1 DT A 4 8.605 -9.403 -5.672 1.00 0.17 N ATOM 109 C2 DT A 4 9.479 -9.270 -4.607 1.00 0.23 C ATOM 110 O2 DT A 4 9.148 -9.371 -3.435 1.00 0.27 O ATOM 111 N3 DT A 4 10.790 -9.009 -4.920 1.00 0.23 N ATOM 112 C4 DT A 4 11.322 -8.866 -6.171 1.00 0.19 C ATOM 113 O4 DT A 4 12.524 -8.647 -6.310 1.00 0.26 O ATOM 114 C5 DT A 4 10.362 -9.008 -7.237 1.00 0.16 C ATOM 115 C7 DT A 4 10.838 -8.838 -8.681 1.00 0.25 C ATOM 116 C6 DT A 4 9.069 -9.266 -6.970 1.00 0.17 C ATOM 0 H5' DT A 4 5.376 -9.968 -8.818 1.00 0.20 H new ATOM 0 H5'' DT A 4 4.056 -8.979 -8.224 1.00 0.20 H new ATOM 0 H4' DT A 4 4.421 -10.806 -6.809 1.00 0.19 H new ATOM 0 H3' DT A 4 3.936 -8.452 -5.572 1.00 0.22 H new ATOM 0 H2' DT A 4 6.418 -7.773 -5.923 1.00 0.19 H new ATOM 0 H2'' DT A 4 6.251 -8.103 -4.210 1.00 0.19 H new ATOM 0 H1' DT A 4 7.370 -10.258 -4.388 1.00 0.19 H new ATOM 0 H3 DT A 4 11.435 -8.911 -4.136 1.00 0.23 H new ATOM 0 H71 DT A 4 11.675 -8.141 -8.708 1.00 0.25 H new ATOM 0 H72 DT A 4 11.156 -9.803 -9.075 1.00 0.25 H new ATOM 0 H73 DT A 4 10.022 -8.449 -9.290 1.00 0.25 H new ATOM 0 H6 DT A 4 8.374 -9.369 -7.790 1.00 0.17 H new ATOM 129 P DG A 5 3.284 -9.651 -3.250 1.00 0.32 P ATOM 130 OP1 DG A 5 2.960 -10.831 -2.558 1.00 0.57 O ATOM 131 OP2 DG A 5 2.220 -8.913 -3.846 1.00 0.64 O ATOM 132 O5' DG A 5 3.984 -8.746 -2.203 1.00 0.35 O ATOM 133 C5' DG A 5 3.306 -7.865 -1.294 1.00 0.36 C ATOM 134 C4' DG A 5 3.785 -6.418 -1.400 1.00 0.29 C ATOM 135 O4' DG A 5 5.197 -6.348 -1.082 1.00 0.24 O ATOM 136 C3' DG A 5 3.523 -5.779 -2.784 1.00 0.27 C ATOM 137 O3' DG A 5 3.285 -4.384 -2.637 1.00 0.23 O ATOM 138 C2' DG A 5 5.000 -5.966 -3.271 1.00 0.21 C ATOM 139 C1' DG A 5 5.854 -5.546 -2.081 1.00 0.17 C ATOM 140 N9 DG A 5 7.273 -5.892 -2.266 1.00 0.17 N ATOM 141 C8 DG A 5 8.186 -6.386 -1.403 1.00 0.23 C ATOM 142 N7 DG A 5 9.352 -6.559 -1.927 1.00 0.24 N ATOM 143 C5 DG A 5 9.218 -6.153 -3.238 1.00 0.17 C ATOM 144 C6 DG A 5 10.152 -6.107 -4.308 1.00 0.16 C ATOM 145 O6 DG A 5 11.324 -6.428 -4.303 1.00 0.19 O ATOM 146 N1 DG A 5 9.595 -5.622 -5.488 1.00 0.14 N ATOM 147 C2 DG A 5 8.270 -5.225 -5.604 1.00 0.18 C ATOM 148 N2 DG A 5 7.851 -4.787 -6.731 1.00 0.26 N ATOM 149 N3 DG A 5 7.406 -5.269 -4.611 1.00 0.17 N ATOM 150 C4 DG A 5 7.941 -5.740 -3.454 1.00 0.14 C ATOM 0 H5' DG A 5 3.456 -8.218 -0.274 1.00 0.36 H new ATOM 0 H5'' DG A 5 2.234 -7.903 -1.490 1.00 0.36 H new ATOM 0 H4' DG A 5 3.202 -5.842 -0.681 1.00 0.29 H new ATOM 0 H3' DG A 5 2.700 -6.169 -3.383 1.00 0.27 H new ATOM 0 H2' DG A 5 5.196 -7.000 -3.554 1.00 0.21 H new ATOM 0 H2'' DG A 5 5.210 -5.351 -4.146 1.00 0.21 H new ATOM 0 H1' DG A 5 5.907 -4.478 -1.868 1.00 0.17 H new ATOM 0 H8 DG A 5 7.962 -6.615 -0.372 1.00 0.23 H new ATOM 0 H1 DG A 5 10.193 -5.555 -6.312 1.00 0.14 H new ATOM 0 H21 DG A 5 6.880 -4.491 -6.834 1.00 0.26 H new ATOM 0 H22 DG A 5 8.488 -4.734 -7.526 1.00 0.26 H new ATOM 162 P DG A 6 2.897 -3.404 -3.858 1.00 0.24 P ATOM 163 OP1 DG A 6 1.655 -3.957 -4.434 1.00 0.31 O ATOM 164 OP2 DG A 6 4.069 -3.119 -4.725 1.00 0.28 O ATOM 165 O5' DG A 6 2.489 -2.094 -3.015 1.00 0.23 O ATOM 166 C5' DG A 6 3.344 -1.112 -2.444 1.00 0.26 C ATOM 167 C4' DG A 6 4.469 -1.675 -1.560 1.00 0.27 C ATOM 168 O4' DG A 6 5.380 -2.426 -2.419 1.00 0.23 O ATOM 169 C3' DG A 6 5.295 -0.576 -0.865 1.00 0.29 C ATOM 170 O3' DG A 6 5.736 -0.916 0.450 1.00 0.31 O ATOM 171 C2' DG A 6 6.495 -0.665 -1.741 1.00 0.26 C ATOM 172 C1' DG A 6 6.760 -2.098 -2.062 1.00 0.19 C ATOM 173 N9 DG A 6 7.718 -2.282 -3.173 1.00 0.17 N ATOM 174 C8 DG A 6 7.562 -2.308 -4.511 1.00 0.19 C ATOM 175 N7 DG A 6 8.659 -2.491 -5.186 1.00 0.17 N ATOM 176 C5 DG A 6 9.626 -2.590 -4.219 1.00 0.13 C ATOM 177 C6 DG A 6 11.008 -2.787 -4.335 1.00 0.14 C ATOM 178 O6 DG A 6 11.691 -2.892 -5.338 1.00 0.19 O ATOM 179 N1 DG A 6 11.626 -2.828 -3.100 1.00 0.14 N ATOM 180 C2 DG A 6 11.007 -2.690 -1.870 1.00 0.11 C ATOM 181 N2 DG A 6 11.755 -2.718 -0.795 1.00 0.13 N ATOM 182 N3 DG A 6 9.690 -2.507 -1.742 1.00 0.10 N ATOM 183 C4 DG A 6 9.065 -2.465 -2.971 1.00 0.12 C ATOM 0 H5' DG A 6 2.741 -0.427 -1.848 1.00 0.26 H new ATOM 0 H5'' DG A 6 3.791 -0.527 -3.248 1.00 0.26 H new ATOM 0 H4' DG A 6 4.004 -2.288 -0.788 1.00 0.27 H new ATOM 0 H3' DG A 6 4.756 0.365 -0.754 1.00 0.29 H new ATOM 0 H2' DG A 6 6.334 -0.098 -2.658 1.00 0.26 H new ATOM 0 H2'' DG A 6 7.359 -0.226 -1.242 1.00 0.26 H new ATOM 0 H1' DG A 6 7.229 -2.705 -1.288 1.00 0.19 H new ATOM 0 H8 DG A 6 6.600 -2.186 -4.987 1.00 0.19 H new ATOM 0 H1 DG A 6 12.635 -2.974 -3.094 1.00 0.14 H new ATOM 0 H21 DG A 6 11.328 -2.619 0.126 1.00 0.13 H new ATOM 0 H22 DG A 6 12.764 -2.839 -0.879 1.00 0.13 H new ATOM 195 P DT A 7 5.272 -0.288 1.796 1.00 0.26 P ATOM 196 OP1 DT A 7 4.324 -1.190 2.366 1.00 0.59 O ATOM 197 OP2 DT A 7 4.902 1.058 1.490 1.00 0.52 O ATOM 198 O5' DT A 7 6.606 -0.191 2.691 1.00 0.25 O ATOM 199 C5' DT A 7 7.307 -1.307 3.208 1.00 0.23 C ATOM 200 C4' DT A 7 8.753 -1.421 2.710 1.00 0.23 C ATOM 201 O4' DT A 7 9.333 -2.716 3.080 1.00 0.22 O ATOM 202 C3' DT A 7 8.890 -1.348 1.174 1.00 0.16 C ATOM 203 O3' DT A 7 10.227 -0.987 0.755 1.00 0.18 O ATOM 204 C2' DT A 7 8.768 -2.875 0.905 1.00 0.20 C ATOM 205 C1' DT A 7 9.750 -3.484 1.909 1.00 0.20 C ATOM 206 N1 DT A 7 9.682 -4.954 2.068 1.00 0.22 N ATOM 207 C2 DT A 7 10.471 -5.696 1.214 1.00 0.20 C ATOM 208 O2 DT A 7 11.181 -5.190 0.364 1.00 0.23 O ATOM 209 N3 DT A 7 10.410 -7.066 1.353 1.00 0.21 N ATOM 210 C4 DT A 7 9.637 -7.747 2.262 1.00 0.23 C ATOM 211 O4 DT A 7 9.670 -8.962 2.310 1.00 0.28 O ATOM 212 C5 DT A 7 8.868 -6.908 3.095 1.00 0.28 C ATOM 213 C7 DT A 7 7.952 -7.603 4.161 1.00 0.39 C ATOM 214 C6 DT A 7 8.892 -5.567 3.001 1.00 0.28 C ATOM 0 H5' DT A 7 6.769 -2.217 2.941 1.00 0.23 H new ATOM 0 H5'' DT A 7 7.312 -1.247 4.296 1.00 0.23 H new ATOM 0 H4' DT A 7 9.262 -0.576 3.174 1.00 0.23 H new ATOM 0 H3' DT A 7 8.208 -0.646 0.694 1.00 0.16 H new ATOM 0 H2' DT A 7 7.751 -3.233 1.068 1.00 0.20 H new ATOM 0 H2'' DT A 7 9.034 -3.126 -0.122 1.00 0.20 H new ATOM 0 H1' DT A 7 10.802 -3.409 1.635 1.00 0.20 H new ATOM 0 H3 DT A 7 10.990 -7.623 0.726 1.00 0.21 H new ATOM 0 H71 DT A 7 7.845 -6.952 5.029 1.00 0.39 H new ATOM 0 H72 DT A 7 6.970 -7.794 3.728 1.00 0.39 H new ATOM 0 H73 DT A 7 8.403 -8.547 4.468 1.00 0.39 H new ATOM 0 H6 DT A 7 8.284 -4.971 3.666 1.00 0.28 H new ATOM 227 P DG A 8 11.032 0.373 1.036 1.00 0.17 P ATOM 228 OP1 DG A 8 12.364 0.143 0.444 1.00 0.20 O ATOM 229 OP2 DG A 8 10.889 0.766 2.455 1.00 0.28 O ATOM 230 O5' DG A 8 10.313 1.530 0.130 1.00 0.21 O ATOM 231 C5' DG A 8 11.075 2.553 -0.561 1.00 0.19 C ATOM 232 C4' DG A 8 11.553 2.078 -1.937 1.00 0.22 C ATOM 233 O4' DG A 8 10.545 2.157 -3.022 1.00 0.22 O ATOM 234 C3' DG A 8 12.800 2.809 -2.559 1.00 0.21 C ATOM 235 O3' DG A 8 13.136 4.109 -2.029 1.00 0.22 O ATOM 236 C2' DG A 8 12.414 2.861 -4.088 1.00 0.21 C ATOM 237 C1' DG A 8 11.086 2.079 -4.390 1.00 0.20 C ATOM 238 N9 DG A 8 10.150 2.693 -5.357 1.00 0.25 N ATOM 239 C8 DG A 8 9.087 3.501 -5.105 1.00 0.33 C ATOM 240 N7 DG A 8 8.457 3.866 -6.190 1.00 0.38 N ATOM 241 C5 DG A 8 9.142 3.263 -7.238 1.00 0.33 C ATOM 242 C6 DG A 8 8.929 3.289 -8.643 1.00 0.38 C ATOM 243 O6 DG A 8 8.056 3.829 -9.288 1.00 0.47 O ATOM 244 N1 DG A 8 9.852 2.547 -9.317 1.00 0.32 N ATOM 245 C2 DG A 8 10.866 1.853 -8.727 1.00 0.25 C ATOM 246 N2 DG A 8 11.631 1.211 -9.580 1.00 0.29 N ATOM 247 N3 DG A 8 11.096 1.802 -7.411 1.00 0.23 N ATOM 248 C4 DG A 8 10.184 2.540 -6.731 1.00 0.25 C ATOM 0 H5' DG A 8 11.936 2.836 0.045 1.00 0.19 H new ATOM 0 H5'' DG A 8 10.461 3.446 -0.678 1.00 0.19 H new ATOM 0 H4' DG A 8 11.799 1.055 -1.654 1.00 0.22 H new ATOM 0 H3' DG A 8 13.719 2.273 -2.323 1.00 0.21 H new ATOM 0 H2' DG A 8 12.301 3.900 -4.397 1.00 0.21 H new ATOM 0 H2'' DG A 8 13.225 2.439 -4.681 1.00 0.21 H new ATOM 0 H1' DG A 8 11.241 1.108 -4.860 1.00 0.20 H new ATOM 0 H8 DG A 8 8.794 3.809 -4.112 1.00 0.33 H new ATOM 0 H1 DG A 8 9.779 2.508 -10.334 1.00 0.32 H new ATOM 0 H21 DG A 8 12.420 0.660 -9.243 1.00 0.29 H new ATOM 0 H22 DG A 8 11.436 1.264 -10.580 1.00 0.29 H new ATOM 260 P DT A 9 14.140 4.370 -0.826 1.00 0.18 P ATOM 261 OP1 DT A 9 13.747 3.479 0.280 1.00 0.27 O ATOM 262 OP2 DT A 9 14.148 5.832 -0.634 1.00 0.24 O ATOM 263 O5' DT A 9 15.653 3.920 -1.313 1.00 0.20 O ATOM 264 C5' DT A 9 16.797 3.994 -0.409 1.00 0.24 C ATOM 265 C4' DT A 9 17.965 3.093 -0.844 1.00 0.22 C ATOM 266 O4' DT A 9 17.522 1.726 -0.940 1.00 0.17 O ATOM 267 C3' DT A 9 18.654 3.349 -2.207 1.00 0.18 C ATOM 268 O3' DT A 9 20.022 2.897 -2.341 1.00 0.20 O ATOM 269 C2' DT A 9 17.683 2.512 -3.055 1.00 0.17 C ATOM 270 C1' DT A 9 17.361 1.213 -2.280 1.00 0.14 C ATOM 271 N1 DT A 9 15.975 0.658 -2.535 1.00 0.12 N ATOM 272 C2 DT A 9 15.106 0.541 -1.437 1.00 0.12 C ATOM 273 O2 DT A 9 15.337 0.754 -0.254 1.00 0.17 O ATOM 274 N3 DT A 9 13.855 0.113 -1.707 1.00 0.12 N ATOM 275 C4 DT A 9 13.336 -0.221 -2.937 1.00 0.13 C ATOM 276 O4 DT A 9 12.168 -0.547 -3.076 1.00 0.16 O ATOM 277 C5 DT A 9 14.260 -0.101 -4.006 1.00 0.12 C ATOM 278 C7 DT A 9 13.855 -0.452 -5.423 1.00 0.15 C ATOM 279 C6 DT A 9 15.512 0.317 -3.801 1.00 0.12 C ATOM 0 H5' DT A 9 16.480 3.709 0.594 1.00 0.24 H new ATOM 0 H5'' DT A 9 17.143 5.026 -0.353 1.00 0.24 H new ATOM 0 H4' DT A 9 18.693 3.325 -0.067 1.00 0.22 H new ATOM 0 H3' DT A 9 18.789 4.403 -2.450 1.00 0.18 H new ATOM 0 H2' DT A 9 16.770 3.073 -3.252 1.00 0.17 H new ATOM 0 H2'' DT A 9 18.128 2.277 -4.022 1.00 0.17 H new ATOM 0 H1' DT A 9 17.977 0.355 -2.548 1.00 0.14 H new ATOM 0 H3 DT A 9 13.224 0.028 -0.910 1.00 0.12 H new ATOM 0 H71 DT A 9 14.422 0.159 -6.125 1.00 0.15 H new ATOM 0 H72 DT A 9 14.061 -1.506 -5.610 1.00 0.15 H new ATOM 0 H73 DT A 9 12.790 -0.262 -5.555 1.00 0.15 H new ATOM 0 H6 DT A 9 16.184 0.392 -4.643 1.00 0.12 H new ATOM 292 P DG A 10 20.735 1.442 -2.124 1.00 0.15 P ATOM 293 OP1 DG A 10 22.180 1.607 -2.406 1.00 0.21 O ATOM 294 OP2 DG A 10 19.972 0.426 -2.883 1.00 0.19 O ATOM 295 O5' DG A 10 20.522 1.098 -0.532 1.00 0.20 O ATOM 296 C5' DG A 10 20.683 -0.238 -0.073 1.00 0.23 C ATOM 297 C4' DG A 10 19.947 -0.603 1.227 1.00 0.18 C ATOM 298 O4' DG A 10 18.495 -0.467 1.083 1.00 0.17 O ATOM 299 C3' DG A 10 20.251 -2.093 1.520 1.00 0.16 C ATOM 300 O3' DG A 10 20.321 -2.539 2.880 1.00 0.15 O ATOM 301 C2' DG A 10 18.891 -2.625 0.982 1.00 0.18 C ATOM 302 C1' DG A 10 17.785 -1.668 1.425 1.00 0.20 C ATOM 303 N9 DG A 10 16.587 -1.975 0.604 1.00 0.18 N ATOM 304 C8 DG A 10 15.280 -2.297 0.935 1.00 0.18 C ATOM 305 N7 DG A 10 14.524 -2.599 -0.095 1.00 0.17 N ATOM 306 C5 DG A 10 15.384 -2.461 -1.174 1.00 0.15 C ATOM 307 C6 DG A 10 15.168 -2.647 -2.560 1.00 0.14 C ATOM 308 O6 DG A 10 14.154 -2.999 -3.138 1.00 0.17 O ATOM 309 N1 DG A 10 16.294 -2.404 -3.306 1.00 0.15 N ATOM 310 C2 DG A 10 17.499 -2.021 -2.796 1.00 0.17 C ATOM 311 N2 DG A 10 18.494 -1.783 -3.619 1.00 0.22 N ATOM 312 N3 DG A 10 17.715 -1.854 -1.511 1.00 0.19 N ATOM 313 C4 DG A 10 16.623 -2.087 -0.756 1.00 0.16 C ATOM 0 H5' DG A 10 21.747 -0.424 0.072 1.00 0.23 H new ATOM 0 H5'' DG A 10 20.345 -0.913 -0.859 1.00 0.23 H new ATOM 0 H4' DG A 10 20.280 0.063 2.023 1.00 0.18 H new ATOM 0 H3' DG A 10 21.224 -2.387 1.126 1.00 0.16 H new ATOM 0 H2' DG A 10 18.916 -2.697 -0.105 1.00 0.18 H new ATOM 0 H2'' DG A 10 18.699 -3.628 1.364 1.00 0.18 H new ATOM 0 H1' DG A 10 17.398 -1.671 2.444 1.00 0.20 H new ATOM 0 H8 DG A 10 14.915 -2.299 1.952 1.00 0.18 H new ATOM 0 H1 DG A 10 16.224 -2.518 -4.317 1.00 0.15 H new ATOM 0 H21 DG A 10 19.401 -1.496 -3.252 1.00 0.22 H new ATOM 0 H22 DG A 10 18.359 -1.885 -4.625 1.00 0.22 H new ATOM 325 P DG A 11 20.707 -4.115 3.103 1.00 0.16 P ATOM 326 OP1 DG A 11 21.175 -4.345 4.487 1.00 0.26 O ATOM 327 OP2 DG A 11 21.529 -4.607 1.983 1.00 0.23 O ATOM 328 O5' DG A 11 19.282 -4.824 3.021 1.00 0.20 O ATOM 329 C5' DG A 11 18.161 -4.408 3.815 1.00 0.21 C ATOM 330 C4' DG A 11 16.874 -4.983 3.258 1.00 0.20 C ATOM 331 O4' DG A 11 16.781 -4.571 1.873 1.00 0.21 O ATOM 332 C3' DG A 11 16.885 -6.514 3.298 1.00 0.18 C ATOM 333 O3' DG A 11 15.733 -7.086 3.886 1.00 0.20 O ATOM 334 C2' DG A 11 16.884 -6.738 1.807 1.00 0.19 C ATOM 335 C1' DG A 11 16.200 -5.601 1.121 1.00 0.14 C ATOM 336 N9 DG A 11 16.427 -5.570 -0.357 1.00 0.13 N ATOM 337 C8 DG A 11 17.566 -5.481 -1.139 1.00 0.14 C ATOM 338 N7 DG A 11 17.312 -5.518 -2.421 1.00 0.15 N ATOM 339 C5 DG A 11 15.928 -5.633 -2.486 1.00 0.14 C ATOM 340 C6 DG A 11 15.077 -5.712 -3.610 1.00 0.16 C ATOM 341 O6 DG A 11 15.360 -5.719 -4.790 1.00 0.17 O ATOM 342 N1 DG A 11 13.767 -5.813 -3.258 1.00 0.16 N ATOM 343 C2 DG A 11 13.320 -5.836 -1.972 1.00 0.17 C ATOM 344 N2 DG A 11 12.038 -5.924 -1.841 1.00 0.22 N ATOM 345 N3 DG A 11 14.076 -5.766 -0.885 1.00 0.16 N ATOM 346 C4 DG A 11 15.384 -5.663 -1.231 1.00 0.13 C ATOM 0 H5' DG A 11 18.103 -3.320 3.831 1.00 0.21 H new ATOM 0 H5'' DG A 11 18.296 -4.735 4.846 1.00 0.21 H new ATOM 0 H4' DG A 11 16.034 -4.627 3.855 1.00 0.20 H new ATOM 0 H3' DG A 11 17.692 -6.952 3.886 1.00 0.18 H new ATOM 0 H2' DG A 11 17.908 -6.830 1.444 1.00 0.19 H new ATOM 0 H2'' DG A 11 16.377 -7.674 1.572 1.00 0.19 H new ATOM 0 H1' DG A 11 15.110 -5.595 1.113 1.00 0.14 H new ATOM 0 H8 DG A 11 18.562 -5.390 -0.732 1.00 0.14 H new ATOM 0 H1 DG A 11 13.075 -5.875 -4.005 1.00 0.16 H new ATOM 0 H21 DG A 11 11.621 -5.947 -0.910 1.00 0.22 H new ATOM 0 H22 DG A 11 11.443 -5.970 -2.668 1.00 0.22 H new ATOM 358 P DT A 12 15.878 -8.057 5.174 1.00 0.21 P ATOM 359 OP1 DT A 12 14.723 -8.969 5.178 1.00 0.28 O ATOM 360 OP2 DT A 12 16.179 -7.226 6.358 1.00 0.25 O ATOM 361 O5' DT A 12 17.195 -8.894 4.794 1.00 0.21 O ATOM 362 C5' DT A 12 17.216 -10.038 3.919 1.00 0.22 C ATOM 363 C4' DT A 12 18.627 -10.498 3.497 1.00 0.24 C ATOM 364 O4' DT A 12 19.555 -10.888 4.566 1.00 0.30 O ATOM 365 C3' DT A 12 19.379 -9.425 2.647 1.00 0.20 C ATOM 366 O3' DT A 12 19.061 -9.589 1.264 1.00 0.21 O ATOM 367 C2' DT A 12 20.834 -9.823 2.900 1.00 0.28 C ATOM 368 C1' DT A 12 20.724 -10.058 4.459 1.00 0.30 C ATOM 369 N1 DT A 12 20.393 -8.794 5.216 1.00 0.25 N ATOM 370 C2 DT A 12 20.872 -7.548 4.782 1.00 0.27 C ATOM 371 O2 DT A 12 21.560 -7.356 3.779 1.00 0.34 O ATOM 372 N3 DT A 12 20.537 -6.440 5.567 1.00 0.28 N ATOM 373 C4 DT A 12 19.789 -6.449 6.707 1.00 0.29 C ATOM 374 O4 DT A 12 19.575 -5.409 7.301 1.00 0.33 O ATOM 375 C5 DT A 12 19.332 -7.760 7.086 1.00 0.27 C ATOM 376 C7 DT A 12 18.468 -7.900 8.359 1.00 0.36 C ATOM 377 C6 DT A 12 19.628 -8.853 6.376 1.00 0.25 C ATOM 0 H5' DT A 12 16.641 -9.804 3.023 1.00 0.22 H new ATOM 0 H5'' DT A 12 16.711 -10.867 4.414 1.00 0.22 H new ATOM 0 H4' DT A 12 18.379 -11.394 2.928 1.00 0.24 H new ATOM 0 H3' DT A 12 19.139 -8.392 2.898 1.00 0.20 H new ATOM 0 H2' DT A 12 21.132 -10.718 2.354 1.00 0.28 H new ATOM 0 H2'' DT A 12 21.543 -9.038 2.636 1.00 0.28 H new ATOM 0 H1' DT A 12 21.658 -10.454 4.857 1.00 0.30 H new ATOM 0 H3 DT A 12 20.887 -5.534 5.255 1.00 0.28 H new ATOM 0 H71 DT A 12 17.788 -8.745 8.246 1.00 0.36 H new ATOM 0 H72 DT A 12 19.114 -8.067 9.221 1.00 0.36 H new ATOM 0 H73 DT A 12 17.891 -6.988 8.509 1.00 0.36 H new ATOM 0 H6 DT A 12 19.262 -9.811 6.713 1.00 0.25 H new ATOM 390 P DT A 13 19.263 -8.482 0.127 1.00 0.15 P ATOM 391 OP1 DT A 13 19.603 -7.224 0.801 1.00 0.24 O ATOM 392 OP2 DT A 13 18.094 -8.523 -0.756 1.00 0.30 O ATOM 393 O5' DT A 13 20.566 -8.932 -0.691 1.00 0.27 O ATOM 394 C5' DT A 13 20.744 -10.245 -1.246 1.00 0.29 C ATOM 395 C4' DT A 13 20.023 -10.564 -2.539 1.00 0.24 C ATOM 396 O4' DT A 13 18.579 -10.657 -2.442 1.00 0.22 O ATOM 397 C3' DT A 13 20.409 -9.602 -3.665 1.00 0.26 C ATOM 398 O3' DT A 13 20.724 -10.339 -4.835 1.00 0.25 O ATOM 399 C2' DT A 13 19.016 -8.988 -3.831 1.00 0.27 C ATOM 400 C1' DT A 13 18.006 -10.114 -3.644 1.00 0.18 C ATOM 401 N1 DT A 13 16.579 -9.744 -3.482 1.00 0.20 N ATOM 402 C2 DT A 13 15.837 -9.437 -4.626 1.00 0.25 C ATOM 403 O2 DT A 13 16.304 -9.498 -5.754 1.00 0.30 O ATOM 404 N3 DT A 13 14.517 -9.068 -4.423 1.00 0.28 N ATOM 405 C4 DT A 13 13.881 -8.978 -3.202 1.00 0.25 C ATOM 406 O4 DT A 13 12.715 -8.619 -3.145 1.00 0.23 O ATOM 407 C5 DT A 13 14.701 -9.315 -2.058 1.00 0.24 C ATOM 408 C7 DT A 13 14.115 -9.269 -0.642 1.00 0.27 C ATOM 409 C6 DT A 13 15.998 -9.678 -2.239 1.00 0.22 C ATOM 0 H5' DT A 13 20.428 -10.972 -0.497 1.00 0.29 H new ATOM 0 H5'' DT A 13 21.811 -10.399 -1.410 1.00 0.29 H new ATOM 0 H4' DT A 13 20.370 -11.569 -2.779 1.00 0.24 H new ATOM 0 H3' DT A 13 21.251 -8.933 -3.488 1.00 0.26 H new ATOM 0 H2' DT A 13 18.853 -8.198 -3.098 1.00 0.27 H new ATOM 0 H2'' DT A 13 18.910 -8.535 -4.816 1.00 0.27 H new ATOM 0 H1' DT A 13 17.901 -10.761 -4.515 1.00 0.18 H new ATOM 0 H3 DT A 13 13.966 -8.843 -5.251 1.00 0.28 H new ATOM 0 H71 DT A 13 13.334 -8.510 -0.596 1.00 0.27 H new ATOM 0 H72 DT A 13 13.692 -10.242 -0.392 1.00 0.27 H new ATOM 0 H73 DT A 13 14.903 -9.022 0.070 1.00 0.27 H new ATOM 0 H6 DT A 13 16.594 -9.924 -1.373 1.00 0.22 H new ATOM 422 P DG A 14 22.206 -10.647 -5.322 1.00 0.25 P ATOM 423 OP1 DG A 14 22.210 -12.000 -5.888 1.00 0.29 O ATOM 424 OP2 DG A 14 23.105 -10.304 -4.213 1.00 0.34 O ATOM 425 O5' DG A 14 22.441 -9.602 -6.497 1.00 0.35 O ATOM 426 C5' DG A 14 23.372 -9.842 -7.567 1.00 0.38 C ATOM 427 C4' DG A 14 23.451 -8.719 -8.558 1.00 0.24 C ATOM 428 O4' DG A 14 22.133 -8.335 -9.061 1.00 0.28 O ATOM 429 C3' DG A 14 24.019 -7.455 -7.873 1.00 0.20 C ATOM 430 O3' DG A 14 24.651 -6.641 -8.872 1.00 0.22 O ATOM 431 C2' DG A 14 22.617 -6.835 -7.525 1.00 0.21 C ATOM 432 C1' DG A 14 21.851 -6.954 -8.822 1.00 0.22 C ATOM 433 N9 DG A 14 20.384 -6.691 -8.709 1.00 0.21 N ATOM 434 C8 DG A 14 19.435 -6.639 -9.731 1.00 0.24 C ATOM 435 N7 DG A 14 18.227 -6.354 -9.319 1.00 0.29 N ATOM 436 C5 DG A 14 18.393 -6.212 -7.936 1.00 0.25 C ATOM 437 C6 DG A 14 17.426 -5.901 -6.961 1.00 0.28 C ATOM 438 O6 DG A 14 16.261 -5.654 -7.161 1.00 0.37 O ATOM 439 N1 DG A 14 17.958 -5.849 -5.695 1.00 0.23 N ATOM 440 C2 DG A 14 19.260 -6.059 -5.396 1.00 0.18 C ATOM 441 N2 DG A 14 19.582 -5.901 -4.123 1.00 0.20 N ATOM 442 N3 DG A 14 20.185 -6.354 -6.295 1.00 0.18 N ATOM 443 C4 DG A 14 19.697 -6.416 -7.554 1.00 0.20 C ATOM 0 H5' DG A 14 23.086 -10.756 -8.088 1.00 0.38 H new ATOM 0 H5'' DG A 14 24.362 -10.013 -7.144 1.00 0.38 H new ATOM 0 H4' DG A 14 24.081 -9.075 -9.373 1.00 0.24 H new ATOM 0 H3' DG A 14 24.740 -7.582 -7.065 1.00 0.20 H new ATOM 0 H2' DG A 14 22.127 -7.378 -6.717 1.00 0.21 H new ATOM 0 H2'' DG A 14 22.705 -5.797 -7.204 1.00 0.21 H new ATOM 0 H1' DG A 14 22.130 -6.237 -9.594 1.00 0.22 H new ATOM 0 H8 DG A 14 19.676 -6.818 -10.768 1.00 0.24 H new ATOM 0 H1 DG A 14 17.324 -5.636 -4.924 1.00 0.23 H new ATOM 0 H21 DG A 14 20.545 -6.042 -3.819 1.00 0.20 H new ATOM 0 H22 DG A 14 18.867 -5.638 -3.445 1.00 0.20 H new ATOM 455 P DG A 15 25.390 -5.242 -8.539 1.00 0.27 P ATOM 456 OP1 DG A 15 26.633 -5.137 -9.335 1.00 0.30 O ATOM 457 OP2 DG A 15 25.444 -5.050 -7.075 1.00 0.37 O ATOM 458 O5' DG A 15 24.303 -4.197 -9.141 1.00 0.25 O ATOM 459 C5' DG A 15 23.897 -4.299 -10.517 1.00 0.28 C ATOM 460 C4' DG A 15 22.708 -3.409 -10.902 1.00 0.28 C ATOM 461 O4' DG A 15 21.599 -3.721 -10.004 1.00 0.20 O ATOM 462 C3' DG A 15 22.991 -1.893 -10.729 1.00 0.31 C ATOM 463 O3' DG A 15 22.042 -1.103 -11.423 1.00 0.34 O ATOM 464 C2' DG A 15 22.665 -1.841 -9.241 1.00 0.28 C ATOM 465 C1' DG A 15 21.323 -2.554 -9.177 1.00 0.19 C ATOM 466 N9 DG A 15 20.417 -2.741 -8.000 1.00 0.15 N ATOM 467 C8 DG A 15 20.606 -2.984 -6.640 1.00 0.23 C ATOM 468 N7 DG A 15 19.477 -3.069 -5.954 1.00 0.26 N ATOM 469 C5 DG A 15 18.490 -2.873 -6.912 1.00 0.19 C ATOM 470 C6 DG A 15 17.091 -2.853 -6.781 1.00 0.22 C ATOM 471 O6 DG A 15 16.418 -2.967 -5.774 1.00 0.30 O ATOM 472 N1 DG A 15 16.458 -2.637 -7.959 1.00 0.18 N ATOM 473 C2 DG A 15 17.099 -2.448 -9.159 1.00 0.18 C ATOM 474 N2 DG A 15 16.361 -2.241 -10.233 1.00 0.27 N ATOM 475 N3 DG A 15 18.418 -2.461 -9.316 1.00 0.15 N ATOM 476 C4 DG A 15 19.049 -2.679 -8.143 1.00 0.13 C ATOM 0 H5' DG A 15 23.641 -5.337 -10.730 1.00 0.28 H new ATOM 0 H5'' DG A 15 24.745 -4.043 -11.152 1.00 0.28 H new ATOM 0 H4' DG A 15 22.495 -3.606 -11.953 1.00 0.28 H new ATOM 0 H3' DG A 15 23.964 -1.541 -11.071 1.00 0.31 H new ATOM 0 H2' DG A 15 23.422 -2.346 -8.641 1.00 0.28 H new ATOM 0 H2'' DG A 15 22.599 -0.816 -8.875 1.00 0.28 H new ATOM 0 HO3' DG A 15 22.248 -0.154 -11.292 1.00 0.34 H new ATOM 0 H1' DG A 15 20.571 -1.817 -9.461 1.00 0.19 H new ATOM 0 H8 DG A 15 21.581 -3.093 -6.189 1.00 0.23 H new ATOM 0 H1 DG A 15 15.438 -2.613 -7.955 1.00 0.18 H new ATOM 0 H21 DG A 15 16.808 -2.097 -11.139 1.00 0.27 H new ATOM 0 H22 DG A 15 15.344 -2.225 -10.157 1.00 0.27 H new TER 489 DG A 15