USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 160 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 1 DG O5' : rot 180:sc= 0.792 USER MOD Set 1.2: B 1 DG O5' : rot -93:sc= 0.912 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.713 (180deg=-0.713) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.823 (180deg=-0.823) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.561 0.226 1.349 1.00 0.53 O ATOM 2 C5' DG A 1 -8.055 1.499 1.747 1.00 0.53 C ATOM 3 C4' DG A 1 -6.550 1.363 2.192 1.00 0.44 C ATOM 4 O4' DG A 1 -5.709 0.864 1.130 1.00 0.40 O ATOM 5 C3' DG A 1 -5.682 2.442 2.868 1.00 0.42 C ATOM 6 O3' DG A 1 -4.813 1.845 3.849 1.00 0.44 O ATOM 7 C2' DG A 1 -4.823 2.963 1.703 1.00 0.36 C ATOM 8 C1' DG A 1 -4.495 1.640 1.002 1.00 0.33 C ATOM 9 N9 DG A 1 -4.283 1.677 -0.472 1.00 0.31 N ATOM 10 C8 DG A 1 -3.316 1.065 -1.235 1.00 0.27 C ATOM 11 N7 DG A 1 -3.443 1.269 -2.516 1.00 0.29 N ATOM 12 C5 DG A 1 -4.565 2.069 -2.622 1.00 0.36 C ATOM 13 C6 DG A 1 -5.182 2.605 -3.774 1.00 0.45 C ATOM 14 O6 DG A 1 -4.839 2.467 -4.944 1.00 0.49 O ATOM 15 N1 DG A 1 -6.289 3.361 -3.453 1.00 0.56 N ATOM 16 C2 DG A 1 -6.747 3.573 -2.178 1.00 0.60 C ATOM 17 N2 DG A 1 -7.827 4.318 -2.041 1.00 0.75 N ATOM 18 N3 DG A 1 -6.174 3.072 -1.090 1.00 0.52 N ATOM 19 C4 DG A 1 -5.086 2.328 -1.384 1.00 0.39 C ATOM 0 H5' DG A 1 -8.651 1.896 2.568 1.00 0.53 H new ATOM 0 H5'' DG A 1 -8.137 2.207 0.922 1.00 0.53 H new ATOM 0 H4' DG A 1 -6.826 0.724 3.031 1.00 0.44 H new ATOM 0 H3' DG A 1 -6.271 3.206 3.375 1.00 0.42 H new ATOM 0 H2' DG A 1 -5.369 3.652 1.058 1.00 0.36 H new ATOM 0 H2'' DG A 1 -3.930 3.486 2.045 1.00 0.36 H new ATOM 0 HO5' DG A 1 -9.497 0.317 1.075 1.00 0.53 H new ATOM 0 H1' DG A 1 -3.569 1.283 1.453 1.00 0.33 H new ATOM 0 H8 DG A 1 -2.522 0.468 -0.810 1.00 0.27 H new ATOM 0 H1 DG A 1 -6.805 3.794 -4.219 1.00 0.56 H new ATOM 0 H21 DG A 1 -8.204 4.503 -1.112 1.00 0.75 H new ATOM 0 H22 DG A 1 -8.285 4.709 -2.864 1.00 0.75 H new ATOM 32 P DG A 2 -4.400 2.593 5.214 1.00 0.44 P ATOM 33 OP1 DG A 2 -3.809 1.579 6.118 1.00 0.53 O ATOM 34 OP2 DG A 2 -5.555 3.399 5.679 1.00 0.52 O ATOM 35 O5' DG A 2 -3.221 3.587 4.707 1.00 0.37 O ATOM 36 C5' DG A 2 -1.869 3.106 4.539 1.00 0.36 C ATOM 37 C4' DG A 2 -1.005 3.887 3.442 1.00 0.32 C ATOM 38 O4' DG A 2 -1.574 3.829 2.103 1.00 0.34 O ATOM 39 C3' DG A 2 -0.747 5.425 3.646 1.00 0.33 C ATOM 40 O3' DG A 2 0.483 6.107 3.284 1.00 0.38 O ATOM 41 C2' DG A 2 -1.744 6.011 2.659 1.00 0.34 C ATOM 42 C1' DG A 2 -1.400 5.111 1.467 1.00 0.32 C ATOM 43 N9 DG A 2 -2.324 5.284 0.311 1.00 0.34 N ATOM 44 C8 DG A 2 -3.614 5.774 0.313 1.00 0.37 C ATOM 45 N7 DG A 2 -4.185 5.778 -0.845 1.00 0.37 N ATOM 46 C5 DG A 2 -3.223 5.267 -1.696 1.00 0.36 C ATOM 47 C6 DG A 2 -3.302 5.050 -3.092 1.00 0.39 C ATOM 48 O6 DG A 2 -4.216 5.288 -3.880 1.00 0.44 O ATOM 49 N1 DG A 2 -2.132 4.528 -3.562 1.00 0.39 N ATOM 50 C2 DG A 2 -1.024 4.247 -2.824 1.00 0.36 C ATOM 51 N2 DG A 2 -0.018 3.794 -3.545 1.00 0.38 N ATOM 52 N3 DG A 2 -0.913 4.437 -1.510 1.00 0.34 N ATOM 53 C4 DG A 2 -2.069 4.957 -1.010 1.00 0.34 C ATOM 0 H5' DG A 2 -1.906 2.051 4.267 1.00 0.36 H new ATOM 0 H5'' DG A 2 -1.355 3.170 5.498 1.00 0.36 H new ATOM 0 H4' DG A 2 -0.071 3.339 3.569 1.00 0.32 H new ATOM 0 H3' DG A 2 -0.776 5.554 4.728 1.00 0.33 H new ATOM 0 H2' DG A 2 -2.779 5.910 2.986 1.00 0.34 H new ATOM 0 H2'' DG A 2 -1.575 7.069 2.458 1.00 0.34 H new ATOM 0 H1' DG A 2 -0.424 5.299 1.019 1.00 0.32 H new ATOM 0 H8 DG A 2 -4.105 6.125 1.209 1.00 0.37 H new ATOM 0 H1 DG A 2 -2.084 4.330 -4.561 1.00 0.39 H new ATOM 0 H21 DG A 2 0.864 3.551 -3.094 1.00 0.38 H new ATOM 0 H22 DG A 2 -0.121 3.686 -4.554 1.00 0.38 H new ATOM 65 P DA A 3 1.037 7.370 4.165 1.00 0.39 P ATOM 66 OP1 DA A 3 -0.148 8.047 4.738 1.00 0.50 O ATOM 67 OP2 DA A 3 1.992 8.149 3.344 1.00 0.55 O ATOM 68 O5' DA A 3 1.830 6.677 5.374 1.00 0.59 O ATOM 69 C5' DA A 3 2.266 5.312 5.366 1.00 0.53 C ATOM 70 C4' DA A 3 3.446 5.019 4.367 1.00 0.48 C ATOM 71 O4' DA A 3 3.005 5.149 3.001 1.00 0.46 O ATOM 72 C3' DA A 3 4.593 6.027 4.441 1.00 0.58 C ATOM 73 O3' DA A 3 5.732 5.731 5.255 1.00 0.70 O ATOM 74 C2' DA A 3 4.989 6.316 2.972 1.00 0.53 C ATOM 75 C1' DA A 3 4.125 5.387 2.121 1.00 0.44 C ATOM 76 N9 DA A 3 3.565 6.055 0.929 1.00 0.39 N ATOM 77 C8 DA A 3 2.444 6.814 0.843 1.00 0.36 C ATOM 78 N7 DA A 3 2.197 7.290 -0.349 1.00 0.31 N ATOM 79 C5 DA A 3 3.252 6.796 -1.107 1.00 0.32 C ATOM 80 C6 DA A 3 3.597 6.923 -2.460 1.00 0.33 C ATOM 81 N6 DA A 3 2.879 7.596 -3.344 1.00 0.36 N ATOM 82 N1 DA A 3 4.704 6.303 -2.870 1.00 0.37 N ATOM 83 C2 DA A 3 5.422 5.604 -2.002 1.00 0.39 C ATOM 84 N3 DA A 3 5.206 5.410 -0.713 1.00 0.40 N ATOM 85 C4 DA A 3 4.087 6.046 -0.331 1.00 0.36 C ATOM 0 H5' DA A 3 1.421 4.674 5.110 1.00 0.53 H new ATOM 0 H5'' DA A 3 2.580 5.036 6.373 1.00 0.53 H new ATOM 0 H4' DA A 3 3.773 4.018 4.650 1.00 0.48 H new ATOM 0 H3' DA A 3 4.210 6.890 4.985 1.00 0.58 H new ATOM 0 H2' DA A 3 4.810 7.360 2.716 1.00 0.53 H new ATOM 0 H2'' DA A 3 6.049 6.125 2.807 1.00 0.53 H new ATOM 0 H1' DA A 3 4.693 4.524 1.775 1.00 0.44 H new ATOM 0 H8 DA A 3 1.806 7.010 1.692 1.00 0.36 H new ATOM 0 H61 DA A 3 3.186 7.650 -4.315 1.00 0.36 H new ATOM 0 H62 DA A 3 2.018 8.061 -3.054 1.00 0.36 H new ATOM 0 H2 DA A 3 6.304 5.128 -2.403 1.00 0.39 H new ATOM 97 P DG A 4 5.616 5.812 6.864 1.00 0.74 P ATOM 98 OP1 DG A 4 4.767 6.976 7.206 1.00 0.90 O ATOM 99 OP2 DG A 4 6.987 5.727 7.412 1.00 0.94 O ATOM 100 O5' DG A 4 4.820 4.467 7.266 1.00 0.62 O ATOM 101 C5' DG A 4 5.449 3.172 7.277 1.00 0.54 C ATOM 102 C4' DG A 4 4.486 2.039 7.701 1.00 0.46 C ATOM 103 O4' DG A 4 3.314 1.957 6.863 1.00 0.40 O ATOM 104 C3' DG A 4 4.948 0.593 7.868 1.00 0.43 C ATOM 105 O3' DG A 4 4.408 -0.008 9.060 1.00 0.48 O ATOM 106 C2' DG A 4 4.372 -0.029 6.593 1.00 0.37 C ATOM 107 C1' DG A 4 2.975 0.589 6.593 1.00 0.32 C ATOM 108 N9 DG A 4 2.299 0.586 5.266 1.00 0.31 N ATOM 109 C8 DG A 4 2.750 1.145 4.098 1.00 0.37 C ATOM 110 N7 DG A 4 1.946 1.018 3.088 1.00 0.40 N ATOM 111 C5 DG A 4 0.872 0.316 3.622 1.00 0.34 C ATOM 112 C6 DG A 4 -0.312 -0.113 2.983 1.00 0.36 C ATOM 113 O6 DG A 4 -0.646 0.034 1.812 1.00 0.43 O ATOM 114 N1 DG A 4 -1.137 -0.776 3.854 1.00 0.36 N ATOM 115 C2 DG A 4 -0.878 -1.018 5.174 1.00 0.36 C ATOM 116 N2 DG A 4 -1.813 -1.683 5.832 1.00 0.47 N ATOM 117 N3 DG A 4 0.232 -0.630 5.800 1.00 0.33 N ATOM 118 C4 DG A 4 1.071 0.039 4.957 1.00 0.30 C ATOM 0 H5' DG A 4 6.300 3.193 7.958 1.00 0.54 H new ATOM 0 H5'' DG A 4 5.841 2.956 6.283 1.00 0.54 H new ATOM 0 H4' DG A 4 4.332 2.408 8.715 1.00 0.46 H new ATOM 0 H3' DG A 4 6.024 0.467 7.985 1.00 0.43 H new ATOM 0 H2' DG A 4 4.945 0.239 5.705 1.00 0.37 H new ATOM 0 H2'' DG A 4 4.344 -1.118 6.638 1.00 0.37 H new ATOM 0 H1' DG A 4 2.303 0.062 7.271 1.00 0.32 H new ATOM 0 H8 DG A 4 3.701 1.652 4.025 1.00 0.37 H new ATOM 0 H1 DG A 4 -2.023 -1.119 3.484 1.00 0.36 H new ATOM 0 H21 DG A 4 -1.685 -1.898 6.821 1.00 0.47 H new ATOM 0 H22 DG A 4 -2.662 -1.980 5.351 1.00 0.47 H new ATOM 130 P DG A 5 5.125 -1.262 9.784 1.00 0.48 P ATOM 131 OP1 DG A 5 4.631 -1.384 11.176 1.00 0.68 O ATOM 132 OP2 DG A 5 6.582 -1.196 9.519 1.00 0.62 O ATOM 133 O5' DG A 5 4.507 -2.476 8.910 1.00 0.51 O ATOM 134 C5' DG A 5 3.095 -2.787 8.896 1.00 0.40 C ATOM 135 C4' DG A 5 2.699 -3.721 7.696 1.00 0.30 C ATOM 136 O4' DG A 5 2.920 -3.094 6.393 1.00 0.30 O ATOM 137 C3' DG A 5 3.379 -5.109 7.558 1.00 0.36 C ATOM 138 O3' DG A 5 2.564 -6.231 7.096 1.00 0.49 O ATOM 139 C2' DG A 5 4.425 -4.801 6.493 1.00 0.33 C ATOM 140 C1' DG A 5 3.583 -4.008 5.486 1.00 0.28 C ATOM 141 N9 DG A 5 4.391 -3.329 4.410 1.00 0.27 N ATOM 142 C8 DG A 5 5.722 -2.960 4.425 1.00 0.30 C ATOM 143 N7 DG A 5 6.137 -2.378 3.340 1.00 0.32 N ATOM 144 C5 DG A 5 5.018 -2.351 2.521 1.00 0.30 C ATOM 145 C6 DG A 5 4.879 -1.833 1.199 1.00 0.34 C ATOM 146 O6 DG A 5 5.709 -1.283 0.479 1.00 0.39 O ATOM 147 N1 DG A 5 3.602 -2.008 0.734 1.00 0.35 N ATOM 148 C2 DG A 5 2.596 -2.596 1.444 1.00 0.33 C ATOM 149 N2 DG A 5 1.462 -2.681 0.800 1.00 0.35 N ATOM 150 N3 DG A 5 2.689 -3.087 2.676 1.00 0.29 N ATOM 151 C4 DG A 5 3.943 -2.929 3.158 1.00 0.28 C ATOM 0 H5' DG A 5 2.522 -1.861 8.837 1.00 0.40 H new ATOM 0 H5'' DG A 5 2.823 -3.270 9.834 1.00 0.40 H new ATOM 0 H4' DG A 5 1.655 -3.881 7.964 1.00 0.30 H new ATOM 0 H3' DG A 5 3.707 -5.457 8.538 1.00 0.36 H new ATOM 0 H2' DG A 5 5.257 -4.217 6.887 1.00 0.33 H new ATOM 0 H2'' DG A 5 4.849 -5.705 6.056 1.00 0.33 H new ATOM 0 H1' DG A 5 2.911 -4.613 4.877 1.00 0.28 H new ATOM 0 H8 DG A 5 6.367 -3.141 5.272 1.00 0.30 H new ATOM 0 H1 DG A 5 3.389 -1.676 -0.207 1.00 0.35 H new ATOM 0 H21 DG A 5 0.651 -3.106 1.249 1.00 0.35 H new ATOM 0 H22 DG A 5 1.388 -2.322 -0.152 1.00 0.35 H new ATOM 163 P DA A 6 1.561 -7.061 8.085 1.00 0.48 P ATOM 164 OP1 DA A 6 2.317 -7.352 9.325 1.00 0.69 O ATOM 165 OP2 DA A 6 0.908 -8.160 7.338 1.00 0.79 O ATOM 166 O5' DA A 6 0.508 -5.895 8.407 1.00 0.57 O ATOM 167 C5' DA A 6 -0.709 -6.006 9.158 1.00 0.55 C ATOM 168 C4' DA A 6 -1.904 -6.560 8.311 1.00 0.47 C ATOM 169 O4' DA A 6 -1.871 -5.994 6.969 1.00 0.42 O ATOM 170 C3' DA A 6 -1.941 -8.057 8.019 1.00 0.45 C ATOM 171 O3' DA A 6 -2.269 -8.942 9.106 1.00 0.54 O ATOM 172 C2' DA A 6 -2.905 -8.120 6.834 1.00 0.39 C ATOM 173 C1' DA A 6 -2.387 -6.943 6.002 1.00 0.36 C ATOM 174 N9 DA A 6 -1.457 -7.250 4.869 1.00 0.31 N ATOM 175 C8 DA A 6 -0.105 -7.049 4.768 1.00 0.31 C ATOM 176 N7 DA A 6 0.412 -7.415 3.624 1.00 0.28 N ATOM 177 C5 DA A 6 -0.673 -7.894 2.903 1.00 0.26 C ATOM 178 C6 DA A 6 -0.804 -8.436 1.605 1.00 0.24 C ATOM 179 N6 DA A 6 0.193 -8.590 0.738 1.00 0.23 N ATOM 180 N1 DA A 6 -2.024 -8.805 1.218 1.00 0.26 N ATOM 181 C2 DA A 6 -3.049 -8.653 2.043 1.00 0.30 C ATOM 182 N3 DA A 6 -3.057 -8.165 3.276 1.00 0.31 N ATOM 183 C4 DA A 6 -1.814 -7.797 3.651 1.00 0.28 C ATOM 0 H5' DA A 6 -0.975 -5.026 9.554 1.00 0.55 H new ATOM 0 H5'' DA A 6 -0.543 -6.661 10.013 1.00 0.55 H new ATOM 0 H4' DA A 6 -2.749 -6.295 8.946 1.00 0.47 H new ATOM 0 H3' DA A 6 -0.944 -8.446 7.814 1.00 0.45 H new ATOM 0 H2' DA A 6 -2.844 -9.067 6.298 1.00 0.39 H new ATOM 0 H2'' DA A 6 -3.944 -7.991 7.136 1.00 0.39 H new ATOM 0 H1' DA A 6 -3.210 -6.532 5.417 1.00 0.36 H new ATOM 0 H8 DA A 6 0.484 -6.624 5.567 1.00 0.31 H new ATOM 0 H61 DA A 6 0.011 -8.991 -0.182 1.00 0.23 H new ATOM 0 H62 DA A 6 1.139 -8.307 0.993 1.00 0.23 H new ATOM 0 H2 DA A 6 -4.008 -8.969 1.660 1.00 0.30 H new ATOM 195 P DT A 7 -3.736 -9.485 9.522 1.00 0.50 P ATOM 196 OP1 DT A 7 -4.730 -8.411 9.288 1.00 0.54 O ATOM 197 OP2 DT A 7 -3.625 -10.126 10.851 1.00 0.63 O ATOM 198 O5' DT A 7 -3.929 -10.645 8.402 1.00 0.49 O ATOM 199 C5' DT A 7 -5.138 -10.885 7.661 1.00 0.49 C ATOM 200 C4' DT A 7 -4.896 -11.656 6.337 1.00 0.49 C ATOM 201 O4' DT A 7 -4.000 -10.983 5.429 1.00 0.51 O ATOM 202 C3' DT A 7 -4.368 -13.043 6.388 1.00 0.55 C ATOM 203 O3' DT A 7 -5.363 -13.972 6.758 1.00 0.75 O ATOM 204 C2' DT A 7 -3.743 -13.315 5.004 1.00 0.50 C ATOM 205 C1' DT A 7 -3.477 -11.907 4.437 1.00 0.47 C ATOM 206 N1 DT A 7 -2.024 -11.656 4.277 1.00 0.50 N ATOM 207 C2 DT A 7 -1.466 -11.653 3.007 1.00 0.56 C ATOM 208 O2 DT A 7 -2.116 -11.861 1.987 1.00 0.61 O ATOM 209 N3 DT A 7 -0.109 -11.412 2.954 1.00 0.61 N ATOM 210 C4 DT A 7 0.723 -11.175 4.029 1.00 0.62 C ATOM 211 O4 DT A 7 1.919 -10.979 3.829 1.00 0.70 O ATOM 212 C5 DT A 7 0.056 -11.197 5.318 1.00 0.55 C ATOM 213 C7 DT A 7 0.827 -10.946 6.610 1.00 0.57 C ATOM 214 C6 DT A 7 -1.267 -11.434 5.388 1.00 0.50 C ATOM 0 H5' DT A 7 -5.616 -9.931 7.437 1.00 0.49 H new ATOM 0 H5'' DT A 7 -5.832 -11.451 8.283 1.00 0.49 H new ATOM 0 H4' DT A 7 -5.935 -11.694 6.010 1.00 0.49 H new ATOM 0 H3' DT A 7 -3.609 -13.158 7.162 1.00 0.55 H new ATOM 0 H2' DT A 7 -2.823 -13.893 5.087 1.00 0.50 H new ATOM 0 H2'' DT A 7 -4.419 -13.883 4.364 1.00 0.50 H new ATOM 0 HO3' DT A 7 -4.978 -14.873 6.779 1.00 0.75 H new ATOM 0 H1' DT A 7 -3.942 -11.794 3.457 1.00 0.47 H new ATOM 0 H3 DT A 7 0.322 -11.409 2.029 1.00 0.61 H new ATOM 0 H71 DT A 7 0.166 -10.487 7.345 1.00 0.57 H new ATOM 0 H72 DT A 7 1.202 -11.892 7.000 1.00 0.57 H new ATOM 0 H73 DT A 7 1.665 -10.279 6.410 1.00 0.57 H new ATOM 0 H6 DT A 7 -1.744 -11.449 6.357 1.00 0.50 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.549 -0.632 -1.354 1.00 0.57 O ATOM 230 C5' DG B 1 -7.918 -1.873 -1.662 1.00 0.51 C ATOM 231 C4' DG B 1 -6.413 -1.654 -2.071 1.00 0.43 C ATOM 232 O4' DG B 1 -5.622 -1.119 -0.988 1.00 0.40 O ATOM 233 C3' DG B 1 -5.463 -2.689 -2.720 1.00 0.41 C ATOM 234 O3' DG B 1 -4.601 -2.046 -3.680 1.00 0.43 O ATOM 235 C2' DG B 1 -4.617 -3.167 -1.534 1.00 0.37 C ATOM 236 C1' DG B 1 -4.374 -1.831 -0.827 1.00 0.32 C ATOM 237 N9 DG B 1 -4.200 -1.861 0.653 1.00 0.31 N ATOM 238 C8 DG B 1 -3.287 -1.201 1.441 1.00 0.28 C ATOM 239 N7 DG B 1 -3.436 -1.416 2.717 1.00 0.30 N ATOM 240 C5 DG B 1 -4.517 -2.273 2.792 1.00 0.33 C ATOM 241 C6 DG B 1 -5.134 -2.845 3.927 1.00 0.41 C ATOM 242 O6 DG B 1 -4.830 -2.694 5.104 1.00 0.46 O ATOM 243 N1 DG B 1 -6.193 -3.655 3.575 1.00 0.53 N ATOM 244 C2 DG B 1 -6.608 -3.886 2.289 1.00 0.58 C ATOM 245 N2 DG B 1 -7.646 -4.686 2.123 1.00 0.71 N ATOM 246 N3 DG B 1 -6.033 -3.352 1.219 1.00 0.52 N ATOM 247 C4 DG B 1 -4.993 -2.555 1.541 1.00 0.38 C ATOM 0 H5' DG B 1 -8.452 -2.365 -2.475 1.00 0.51 H new ATOM 0 H5'' DG B 1 -7.971 -2.536 -0.799 1.00 0.51 H new ATOM 0 H4' DG B 1 -6.707 -1.029 -2.914 1.00 0.43 H new ATOM 0 H3' DG B 1 -5.994 -3.485 -3.242 1.00 0.41 H new ATOM 0 H2' DG B 1 -5.147 -3.881 -0.905 1.00 0.37 H new ATOM 0 H2'' DG B 1 -3.690 -3.647 -1.849 1.00 0.37 H new ATOM 0 HO5' DG B 1 -8.481 -0.460 -0.392 1.00 0.57 H new ATOM 0 H1' DG B 1 -3.456 -1.425 -1.253 1.00 0.32 H new ATOM 0 H8 DG B 1 -2.515 -0.562 1.038 1.00 0.28 H new ATOM 0 H1 DG B 1 -6.705 -4.116 4.327 1.00 0.53 H new ATOM 0 H21 DG B 1 -7.990 -4.887 1.184 1.00 0.71 H new ATOM 0 H22 DG B 1 -8.103 -5.103 2.934 1.00 0.71 H new ATOM 260 P DG B 2 -4.118 -2.768 -5.036 1.00 0.41 P ATOM 261 OP1 DG B 2 -3.556 -1.722 -5.922 1.00 0.53 O ATOM 262 OP2 DG B 2 -5.220 -3.629 -5.533 1.00 0.49 O ATOM 263 O5' DG B 2 -2.903 -3.703 -4.502 1.00 0.37 O ATOM 264 C5' DG B 2 -1.583 -3.150 -4.293 1.00 0.34 C ATOM 265 C4' DG B 2 -0.710 -3.893 -3.177 1.00 0.32 C ATOM 266 O4' DG B 2 -1.317 -3.867 -1.855 1.00 0.32 O ATOM 267 C3' DG B 2 -0.363 -5.411 -3.377 1.00 0.33 C ATOM 268 O3' DG B 2 0.889 -6.032 -2.983 1.00 0.36 O ATOM 269 C2' DG B 2 -1.355 -6.056 -2.419 1.00 0.31 C ATOM 270 C1' DG B 2 -1.094 -5.140 -1.215 1.00 0.29 C ATOM 271 N9 DG B 2 -2.037 -5.364 -0.084 1.00 0.33 N ATOM 272 C8 DG B 2 -3.301 -5.918 -0.120 1.00 0.36 C ATOM 273 N7 DG B 2 -3.902 -5.955 1.022 1.00 0.37 N ATOM 274 C5 DG B 2 -2.990 -5.397 1.900 1.00 0.36 C ATOM 275 C6 DG B 2 -3.115 -5.188 3.293 1.00 0.37 C ATOM 276 O6 DG B 2 -4.037 -5.473 4.057 1.00 0.43 O ATOM 277 N1 DG B 2 -1.986 -4.609 3.793 1.00 0.38 N ATOM 278 C2 DG B 2 -0.876 -4.271 3.083 1.00 0.36 C ATOM 279 N2 DG B 2 0.085 -3.765 3.832 1.00 0.36 N ATOM 280 N3 DG B 2 -0.720 -4.451 1.773 1.00 0.34 N ATOM 281 C4 DG B 2 -1.835 -5.028 1.243 1.00 0.34 C ATOM 0 H5' DG B 2 -1.684 -2.101 -4.015 1.00 0.34 H new ATOM 0 H5'' DG B 2 -1.039 -3.179 -5.237 1.00 0.34 H new ATOM 0 H4' DG B 2 0.198 -3.299 -3.279 1.00 0.32 H new ATOM 0 H3' DG B 2 -0.352 -5.533 -4.460 1.00 0.33 H new ATOM 0 H2' DG B 2 -2.384 -6.011 -2.775 1.00 0.31 H new ATOM 0 H2'' DG B 2 -1.133 -7.104 -2.215 1.00 0.31 H new ATOM 0 H1' DG B 2 -0.123 -5.278 -0.740 1.00 0.29 H new ATOM 0 H8 DG B 2 -3.750 -6.290 -1.029 1.00 0.36 H new ATOM 0 H1 DG B 2 -1.973 -4.411 4.793 1.00 0.38 H new ATOM 0 H21 DG B 2 0.965 -3.476 3.405 1.00 0.36 H new ATOM 0 H22 DG B 2 -0.052 -3.663 4.838 1.00 0.36 H new ATOM 293 P DA B 3 1.526 -7.265 -3.852 1.00 0.36 P ATOM 294 OP1 DA B 3 0.391 -7.998 -4.461 1.00 0.47 O ATOM 295 OP2 DA B 3 2.496 -7.998 -3.008 1.00 0.52 O ATOM 296 O5' DA B 3 2.311 -6.526 -5.037 1.00 0.56 O ATOM 297 C5' DA B 3 2.673 -5.141 -5.015 1.00 0.52 C ATOM 298 C4' DA B 3 3.815 -4.791 -3.988 1.00 0.49 C ATOM 299 O4' DA B 3 3.347 -4.951 -2.633 1.00 0.45 O ATOM 300 C3' DA B 3 5.011 -5.739 -4.034 1.00 0.56 C ATOM 301 O3' DA B 3 6.156 -5.384 -4.817 1.00 0.68 O ATOM 302 C2' DA B 3 5.388 -6.011 -2.559 1.00 0.54 C ATOM 303 C1' DA B 3 4.454 -5.136 -1.725 1.00 0.43 C ATOM 304 N9 DA B 3 3.900 -5.836 -0.549 1.00 0.37 N ATOM 305 C8 DA B 3 2.818 -6.654 -0.493 1.00 0.35 C ATOM 306 N7 DA B 3 2.562 -7.141 0.689 1.00 0.32 N ATOM 307 C5 DA B 3 3.566 -6.595 1.482 1.00 0.32 C ATOM 308 C6 DA B 3 3.880 -6.706 2.845 1.00 0.34 C ATOM 309 N6 DA B 3 3.178 -7.418 3.712 1.00 0.37 N ATOM 310 N1 DA B 3 4.942 -6.028 3.282 1.00 0.39 N ATOM 311 C2 DA B 3 5.646 -5.290 2.435 1.00 0.40 C ATOM 312 N3 DA B 3 5.456 -5.106 1.141 1.00 0.39 N ATOM 313 C4 DA B 3 4.382 -5.799 0.727 1.00 0.34 C ATOM 0 H5' DA B 3 1.790 -4.549 -4.775 1.00 0.52 H new ATOM 0 H5'' DA B 3 2.994 -4.844 -6.014 1.00 0.52 H new ATOM 0 H4' DA B 3 4.098 -3.775 -4.262 1.00 0.49 H new ATOM 0 H3' DA B 3 4.681 -6.618 -4.588 1.00 0.56 H new ATOM 0 H2' DA B 3 5.262 -7.065 -2.311 1.00 0.54 H new ATOM 0 H2'' DA B 3 6.432 -5.761 -2.369 1.00 0.54 H new ATOM 0 H1' DA B 3 4.967 -4.247 -1.359 1.00 0.43 H new ATOM 0 H8 DA B 3 2.216 -6.883 -1.360 1.00 0.35 H new ATOM 0 H61 DA B 3 3.463 -7.455 4.691 1.00 0.37 H new ATOM 0 H62 DA B 3 2.352 -7.929 3.402 1.00 0.37 H new ATOM 0 H2 DA B 3 6.490 -4.768 2.861 1.00 0.40 H new ATOM 325 P DG B 4 6.088 -5.468 -6.429 1.00 0.74 P ATOM 326 OP1 DG B 4 5.308 -6.670 -6.796 1.00 0.89 O ATOM 327 OP2 DG B 4 7.468 -5.311 -6.938 1.00 0.90 O ATOM 328 O5' DG B 4 5.237 -4.162 -6.848 1.00 0.65 O ATOM 329 C5' DG B 4 5.800 -2.838 -6.852 1.00 0.54 C ATOM 330 C4' DG B 4 4.789 -1.753 -7.288 1.00 0.43 C ATOM 331 O4' DG B 4 3.592 -1.734 -6.484 1.00 0.38 O ATOM 332 C3' DG B 4 5.183 -0.285 -7.440 1.00 0.43 C ATOM 333 O3' DG B 4 4.644 0.291 -8.644 1.00 0.50 O ATOM 334 C2' DG B 4 4.545 0.298 -6.177 1.00 0.34 C ATOM 335 C1' DG B 4 3.179 -0.384 -6.216 1.00 0.32 C ATOM 336 N9 DG B 4 2.468 -0.421 -4.908 1.00 0.31 N ATOM 337 C8 DG B 4 2.917 -0.962 -3.729 1.00 0.38 C ATOM 338 N7 DG B 4 2.081 -0.879 -2.741 1.00 0.40 N ATOM 339 C5 DG B 4 0.989 -0.231 -3.301 1.00 0.34 C ATOM 340 C6 DG B 4 -0.234 0.136 -2.694 1.00 0.36 C ATOM 341 O6 DG B 4 -0.589 -0.033 -1.534 1.00 0.42 O ATOM 342 N1 DG B 4 -1.068 0.762 -3.585 1.00 0.35 N ATOM 343 C2 DG B 4 -0.787 1.019 -4.897 1.00 0.34 C ATOM 344 N2 DG B 4 -1.735 1.638 -5.581 1.00 0.42 N ATOM 345 N3 DG B 4 0.358 0.690 -5.494 1.00 0.31 N ATOM 346 C4 DG B 4 1.207 0.062 -4.631 1.00 0.30 C ATOM 0 H5' DG B 4 6.659 -2.817 -7.522 1.00 0.54 H new ATOM 0 H5'' DG B 4 6.169 -2.603 -5.854 1.00 0.54 H new ATOM 0 H4' DG B 4 4.676 -2.127 -8.305 1.00 0.43 H new ATOM 0 H3' DG B 4 6.254 -0.101 -7.530 1.00 0.43 H new ATOM 0 H2' DG B 4 5.107 0.050 -5.276 1.00 0.34 H new ATOM 0 H2'' DG B 4 4.467 1.385 -6.215 1.00 0.34 H new ATOM 0 H1' DG B 4 2.500 0.115 -6.907 1.00 0.32 H new ATOM 0 H8 DG B 4 3.890 -1.421 -3.632 1.00 0.38 H new ATOM 0 H1 DG B 4 -1.979 1.062 -3.237 1.00 0.35 H new ATOM 0 H21 DG B 4 -1.591 1.860 -6.566 1.00 0.42 H new ATOM 0 H22 DG B 4 -2.610 1.893 -5.123 1.00 0.42 H new ATOM 358 P DG B 5 5.313 1.582 -9.344 1.00 0.49 P ATOM 359 OP1 DG B 5 4.850 1.682 -10.748 1.00 0.70 O ATOM 360 OP2 DG B 5 6.764 1.593 -9.042 1.00 0.64 O ATOM 361 O5' DG B 5 4.609 2.757 -8.485 1.00 0.49 O ATOM 362 C5' DG B 5 3.182 2.992 -8.507 1.00 0.37 C ATOM 363 C4' DG B 5 2.707 3.907 -7.320 1.00 0.33 C ATOM 364 O4' DG B 5 2.916 3.297 -6.006 1.00 0.32 O ATOM 365 C3' DG B 5 3.321 5.322 -7.168 1.00 0.37 C ATOM 366 O3' DG B 5 2.444 6.403 -6.716 1.00 0.48 O ATOM 367 C2' DG B 5 4.375 5.025 -6.103 1.00 0.34 C ATOM 368 C1' DG B 5 3.537 4.236 -5.092 1.00 0.28 C ATOM 369 N9 DG B 5 4.340 3.591 -3.994 1.00 0.29 N ATOM 370 C8 DG B 5 5.688 3.286 -3.972 1.00 0.33 C ATOM 371 N7 DG B 5 6.099 2.724 -2.878 1.00 0.35 N ATOM 372 C5 DG B 5 4.963 2.639 -2.088 1.00 0.32 C ATOM 373 C6 DG B 5 4.815 2.112 -0.771 1.00 0.34 C ATOM 374 O6 DG B 5 5.652 1.603 -0.031 1.00 0.39 O ATOM 375 N1 DG B 5 3.518 2.221 -0.340 1.00 0.34 N ATOM 376 C2 DG B 5 2.503 2.761 -1.075 1.00 0.31 C ATOM 377 N2 DG B 5 1.349 2.788 -0.460 1.00 0.32 N ATOM 378 N3 DG B 5 2.604 3.260 -2.305 1.00 0.27 N ATOM 379 C4 DG B 5 3.877 3.166 -2.754 1.00 0.28 C ATOM 0 H5' DG B 5 2.658 2.037 -8.458 1.00 0.37 H new ATOM 0 H5'' DG B 5 2.908 3.458 -9.454 1.00 0.37 H new ATOM 0 H4' DG B 5 1.664 4.013 -7.619 1.00 0.33 H new ATOM 0 H3' DG B 5 3.645 5.714 -8.132 1.00 0.37 H new ATOM 0 H2' DG B 5 5.208 4.442 -6.496 1.00 0.34 H new ATOM 0 H2'' DG B 5 4.797 5.933 -5.673 1.00 0.34 H new ATOM 0 H1' DG B 5 2.845 4.831 -4.497 1.00 0.28 H new ATOM 0 H8 DG B 5 6.347 3.499 -4.801 1.00 0.33 H new ATOM 0 H1 DG B 5 3.297 1.875 0.594 1.00 0.34 H new ATOM 0 H21 DG B 5 0.530 3.174 -0.930 1.00 0.32 H new ATOM 0 H22 DG B 5 1.268 2.423 0.489 1.00 0.32 H new ATOM 391 P DA B 6 1.421 7.186 -7.727 1.00 0.51 P ATOM 392 OP1 DA B 6 2.189 7.518 -8.949 1.00 0.73 O ATOM 393 OP2 DA B 6 0.692 8.247 -6.995 1.00 0.79 O ATOM 394 O5' DA B 6 0.434 5.972 -8.085 1.00 0.57 O ATOM 395 C5' DA B 6 -0.771 6.024 -8.862 1.00 0.57 C ATOM 396 C4' DA B 6 -2.012 6.518 -8.044 1.00 0.47 C ATOM 397 O4' DA B 6 -1.989 5.949 -6.707 1.00 0.44 O ATOM 398 C3' DA B 6 -2.136 8.015 -7.751 1.00 0.44 C ATOM 399 O3' DA B 6 -2.476 8.877 -8.854 1.00 0.52 O ATOM 400 C2' DA B 6 -3.141 8.028 -6.595 1.00 0.39 C ATOM 401 C1' DA B 6 -2.581 6.867 -5.754 1.00 0.40 C ATOM 402 N9 DA B 6 -1.693 7.211 -4.596 1.00 0.34 N ATOM 403 C8 DA B 6 -0.335 7.080 -4.461 1.00 0.35 C ATOM 404 N7 DA B 6 0.132 7.472 -3.304 1.00 0.32 N ATOM 405 C5 DA B 6 -0.995 7.892 -2.608 1.00 0.29 C ATOM 406 C6 DA B 6 -1.189 8.422 -1.311 1.00 0.27 C ATOM 407 N6 DA B 6 -0.231 8.628 -0.411 1.00 0.27 N ATOM 408 N1 DA B 6 -2.438 8.724 -0.959 1.00 0.27 N ATOM 409 C2 DA B 6 -3.429 8.524 -1.812 1.00 0.28 C ATOM 410 N3 DA B 6 -3.377 8.042 -3.047 1.00 0.31 N ATOM 411 C4 DA B 6 -2.108 7.739 -3.387 1.00 0.30 C ATOM 0 H5' DA B 6 -0.980 5.032 -9.263 1.00 0.57 H new ATOM 0 H5'' DA B 6 -0.618 6.687 -9.714 1.00 0.57 H new ATOM 0 H4' DA B 6 -2.825 6.215 -8.703 1.00 0.47 H new ATOM 0 H3' DA B 6 -1.169 8.457 -7.510 1.00 0.44 H new ATOM 0 H2' DA B 6 -3.143 8.974 -6.053 1.00 0.39 H new ATOM 0 H2'' DA B 6 -4.163 7.849 -6.927 1.00 0.39 H new ATOM 0 H1' DA B 6 -3.402 6.415 -5.198 1.00 0.40 H new ATOM 0 H8 DA B 6 0.296 6.686 -5.244 1.00 0.35 H new ATOM 0 H61 DA B 6 -0.465 9.016 0.503 1.00 0.27 H new ATOM 0 H62 DA B 6 0.737 8.398 -0.635 1.00 0.27 H new ATOM 0 H2 DA B 6 -4.413 8.789 -1.455 1.00 0.28 H new ATOM 423 P DT B 7 -3.956 9.348 -9.306 1.00 0.50 P ATOM 424 OP1 DT B 7 -4.901 8.224 -9.099 1.00 0.53 O ATOM 425 OP2 DT B 7 -3.845 9.995 -10.632 1.00 0.65 O ATOM 426 O5' DT B 7 -4.229 10.494 -8.190 1.00 0.53 O ATOM 427 C5' DT B 7 -5.460 10.662 -7.471 1.00 0.48 C ATOM 428 C4' DT B 7 -5.302 11.420 -6.145 1.00 0.51 C ATOM 429 O4' DT B 7 -4.372 10.807 -5.236 1.00 0.51 O ATOM 430 C3' DT B 7 -4.858 12.857 -6.185 1.00 0.57 C ATOM 431 O3' DT B 7 -5.877 13.768 -6.599 1.00 0.74 O ATOM 432 C2' DT B 7 -4.328 13.148 -4.763 1.00 0.53 C ATOM 433 C1' DT B 7 -3.951 11.751 -4.213 1.00 0.50 C ATOM 434 N1 DT B 7 -2.492 11.577 -4.014 1.00 0.50 N ATOM 435 C2 DT B 7 -1.971 11.611 -2.728 1.00 0.57 C ATOM 436 O2 DT B 7 -2.658 11.783 -1.726 1.00 0.62 O ATOM 437 N3 DT B 7 -0.604 11.442 -2.641 1.00 0.62 N ATOM 438 C4 DT B 7 0.269 11.247 -3.698 1.00 0.63 C ATOM 439 O4 DT B 7 1.466 11.115 -3.464 1.00 0.72 O ATOM 440 C5 DT B 7 -0.364 11.226 -5.007 1.00 0.56 C ATOM 441 C7 DT B 7 0.440 11.011 -6.286 1.00 0.58 C ATOM 442 C6 DT B 7 -1.693 11.388 -5.106 1.00 0.51 C ATOM 0 H5' DT B 7 -5.889 9.681 -7.269 1.00 0.48 H new ATOM 0 H5'' DT B 7 -6.169 11.197 -8.103 1.00 0.48 H new ATOM 0 H4' DT B 7 -6.343 11.376 -5.825 1.00 0.51 H new ATOM 0 H3' DT B 7 -4.090 13.006 -6.944 1.00 0.57 H new ATOM 0 H2' DT B 7 -3.466 13.814 -4.787 1.00 0.53 H new ATOM 0 H2'' DT B 7 -5.086 13.630 -4.145 1.00 0.53 H new ATOM 0 HO3' DT B 7 -5.519 14.680 -6.600 1.00 0.74 H new ATOM 0 H1' DT B 7 -4.425 11.608 -3.242 1.00 0.50 H new ATOM 0 H3 DT B 7 -0.197 11.463 -1.706 1.00 0.62 H new ATOM 0 H71 DT B 7 -0.184 10.515 -7.029 1.00 0.58 H new ATOM 0 H72 DT B 7 0.770 11.974 -6.674 1.00 0.58 H new ATOM 0 H73 DT B 7 1.309 10.390 -6.069 1.00 0.58 H new ATOM 0 H6 DT B 7 -2.148 11.368 -6.085 1.00 0.51 H new TER 456 DT B 7