USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 26:sc= 0.071 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.584 (180deg=-2.32!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 29:sc= 0.0765 USER MOD Single : B 11 DT C7 :methyl -30:sc=-0.00755 (180deg=-0.773) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.625 (180deg=-1.94!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.906 -9.462 0.182 1.00 0.00 O ATOM 2 C5' DG A 1 2.225 -9.959 0.073 1.00 0.00 C ATOM 3 C4' DG A 1 3.229 -8.953 0.650 1.00 0.00 C ATOM 4 O4' DG A 1 2.983 -7.659 0.098 1.00 0.00 O ATOM 5 C3' DG A 1 3.170 -8.833 2.180 1.00 0.00 C ATOM 6 O3' DG A 1 4.493 -8.934 2.679 1.00 0.00 O ATOM 7 C2' DG A 1 2.566 -7.461 2.366 1.00 0.00 C ATOM 8 C1' DG A 1 3.067 -6.708 1.148 1.00 0.00 C ATOM 9 N9 DG A 1 2.222 -5.523 0.885 1.00 0.00 N ATOM 10 C8 DG A 1 0.866 -5.467 0.697 1.00 0.00 C ATOM 11 N7 DG A 1 0.402 -4.274 0.459 1.00 0.00 N ATOM 12 C5 DG A 1 1.531 -3.457 0.556 1.00 0.00 C ATOM 13 C6 DG A 1 1.693 -2.036 0.417 1.00 0.00 C ATOM 14 O6 DG A 1 0.867 -1.178 0.110 1.00 0.00 O ATOM 15 N1 DG A 1 2.988 -1.614 0.655 1.00 0.00 N ATOM 16 C2 DG A 1 4.021 -2.446 0.969 1.00 0.00 C ATOM 17 N2 DG A 1 5.187 -1.899 1.206 1.00 0.00 N ATOM 18 N3 DG A 1 3.916 -3.770 1.072 1.00 0.00 N ATOM 19 C4 DG A 1 2.644 -4.216 0.854 1.00 0.00 C ATOM 0 H5' DG A 1 2.460 -10.157 -0.973 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.307 -10.908 0.603 1.00 0.00 H new ATOM 0 H4' DG A 1 4.217 -9.328 0.383 1.00 0.00 H new ATOM 0 H3' DG A 1 2.595 -9.596 2.704 1.00 0.00 H new ATOM 0 H2' DG A 1 1.477 -7.499 2.399 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.897 -6.995 3.294 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.926 -8.482 0.199 1.00 0.00 H new ATOM 0 H1' DG A 1 4.080 -6.323 1.269 1.00 0.00 H new ATOM 0 H8 DG A 1 0.234 -6.341 0.743 1.00 0.00 H new ATOM 0 H1 DG A 1 3.183 -0.615 0.591 1.00 0.00 H new ATOM 0 H21 DG A 1 5.987 -2.486 1.445 1.00 0.00 H new ATOM 0 H22 DG A 1 5.296 -0.886 1.152 1.00 0.00 H new ATOM 32 P DT A 2 4.838 -8.904 4.257 1.00 0.00 P ATOM 33 OP1 DT A 2 5.879 -9.921 4.512 1.00 0.00 O ATOM 34 OP2 DT A 2 3.569 -8.923 5.015 1.00 0.00 O ATOM 35 O5' DT A 2 5.495 -7.442 4.411 1.00 0.00 O ATOM 36 C5' DT A 2 6.727 -7.134 3.775 1.00 0.00 C ATOM 37 C4' DT A 2 7.276 -5.755 4.165 1.00 0.00 C ATOM 38 O4' DT A 2 6.385 -4.736 3.734 1.00 0.00 O ATOM 39 C3' DT A 2 7.499 -5.590 5.672 1.00 0.00 C ATOM 40 O3' DT A 2 8.696 -4.853 5.872 1.00 0.00 O ATOM 41 C2' DT A 2 6.257 -4.825 6.097 1.00 0.00 C ATOM 42 C1' DT A 2 5.994 -3.965 4.860 1.00 0.00 C ATOM 43 N1 DT A 2 4.576 -3.545 4.694 1.00 0.00 N ATOM 44 C2 DT A 2 4.322 -2.195 4.430 1.00 0.00 C ATOM 45 O2 DT A 2 5.186 -1.324 4.425 1.00 0.00 O ATOM 46 N3 DT A 2 3.018 -1.858 4.145 1.00 0.00 N ATOM 47 C4 DT A 2 1.947 -2.725 4.113 1.00 0.00 C ATOM 48 O4 DT A 2 0.850 -2.285 3.783 1.00 0.00 O ATOM 49 C5 DT A 2 2.264 -4.107 4.467 1.00 0.00 C ATOM 50 C7 DT A 2 1.165 -5.158 4.528 1.00 0.00 C ATOM 51 C6 DT A 2 3.547 -4.467 4.731 1.00 0.00 C ATOM 0 H5' DT A 2 6.591 -7.172 2.694 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.462 -7.897 4.031 1.00 0.00 H new ATOM 0 H4' DT A 2 8.245 -5.670 3.673 1.00 0.00 H new ATOM 0 H3' DT A 2 7.620 -6.513 6.240 1.00 0.00 H new ATOM 0 H2' DT A 2 5.422 -5.489 6.321 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.431 -4.221 6.988 1.00 0.00 H new ATOM 0 H1' DT A 2 6.562 -3.041 4.968 1.00 0.00 H new ATOM 0 H3 DT A 2 2.827 -0.877 3.939 1.00 0.00 H new ATOM 0 H71 DT A 2 0.224 -4.685 4.810 1.00 0.00 H new ATOM 0 H72 DT A 2 1.056 -5.628 3.551 1.00 0.00 H new ATOM 0 H73 DT A 2 1.426 -5.915 5.268 1.00 0.00 H new ATOM 0 H6 DT A 2 3.768 -5.496 4.975 1.00 0.00 H new ATOM 64 P DA A 3 9.361 -4.678 7.331 1.00 0.00 P ATOM 65 OP1 DA A 3 10.813 -4.469 7.145 1.00 0.00 O ATOM 66 OP2 DA A 3 8.876 -5.774 8.197 1.00 0.00 O ATOM 67 O5' DA A 3 8.708 -3.296 7.845 1.00 0.00 O ATOM 68 C5' DA A 3 9.172 -2.050 7.350 1.00 0.00 C ATOM 69 C4' DA A 3 8.489 -0.848 8.013 1.00 0.00 C ATOM 70 O4' DA A 3 7.184 -0.674 7.473 1.00 0.00 O ATOM 71 C3' DA A 3 8.367 -0.958 9.540 1.00 0.00 C ATOM 72 O3' DA A 3 8.874 0.241 10.104 1.00 0.00 O ATOM 73 C2' DA A 3 6.859 -1.119 9.728 1.00 0.00 C ATOM 74 C1' DA A 3 6.297 -0.359 8.527 1.00 0.00 C ATOM 75 N9 DA A 3 4.925 -0.765 8.139 1.00 0.00 N ATOM 76 C8 DA A 3 4.373 -2.024 8.125 1.00 0.00 C ATOM 77 N7 DA A 3 3.148 -2.075 7.676 1.00 0.00 N ATOM 78 C5 DA A 3 2.860 -0.735 7.393 1.00 0.00 C ATOM 79 C6 DA A 3 1.729 -0.055 6.886 1.00 0.00 C ATOM 80 N6 DA A 3 0.620 -0.676 6.528 1.00 0.00 N ATOM 81 N1 DA A 3 1.733 1.278 6.739 1.00 0.00 N ATOM 82 C2 DA A 3 2.848 1.928 7.069 1.00 0.00 C ATOM 83 N3 DA A 3 3.989 1.422 7.531 1.00 0.00 N ATOM 84 C4 DA A 3 3.932 0.070 7.675 1.00 0.00 C ATOM 0 H5' DA A 3 9.004 -2.008 6.274 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.248 -1.981 7.507 1.00 0.00 H new ATOM 0 H4' DA A 3 9.131 0.007 7.800 1.00 0.00 H new ATOM 0 H3' DA A 3 8.918 -1.770 10.014 1.00 0.00 H new ATOM 0 H2' DA A 3 6.558 -2.167 9.723 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.520 -0.694 10.673 1.00 0.00 H new ATOM 0 H1' DA A 3 6.222 0.702 8.764 1.00 0.00 H new ATOM 0 H8 DA A 3 4.909 -2.900 8.458 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.170 -0.141 6.167 1.00 0.00 H new ATOM 0 H62 DA A 3 0.554 -1.690 6.612 1.00 0.00 H new ATOM 0 H2 DA A 3 2.823 3.001 6.946 1.00 0.00 H new ATOM 96 P DC A 4 8.936 0.517 11.696 1.00 0.00 P ATOM 97 OP1 DC A 4 10.219 1.190 11.998 1.00 0.00 O ATOM 98 OP2 DC A 4 8.546 -0.712 12.417 1.00 0.00 O ATOM 99 O5' DC A 4 7.751 1.595 11.827 1.00 0.00 O ATOM 100 C5' DC A 4 7.873 2.853 11.185 1.00 0.00 C ATOM 101 C4' DC A 4 6.556 3.628 11.141 1.00 0.00 C ATOM 102 O4' DC A 4 5.564 2.818 10.527 1.00 0.00 O ATOM 103 C3' DC A 4 6.037 4.075 12.514 1.00 0.00 C ATOM 104 O3' DC A 4 5.747 5.463 12.433 1.00 0.00 O ATOM 105 C2' DC A 4 4.766 3.256 12.693 1.00 0.00 C ATOM 106 C1' DC A 4 4.362 2.990 11.242 1.00 0.00 C ATOM 107 N1 DC A 4 3.500 1.790 11.062 1.00 0.00 N ATOM 108 C2 DC A 4 2.300 1.935 10.363 1.00 0.00 C ATOM 109 O2 DC A 4 1.969 3.013 9.878 1.00 0.00 O ATOM 110 N3 DC A 4 1.467 0.876 10.210 1.00 0.00 N ATOM 111 C4 DC A 4 1.791 -0.290 10.738 1.00 0.00 C ATOM 112 N4 DC A 4 0.940 -1.268 10.549 1.00 0.00 N ATOM 113 C5 DC A 4 3.013 -0.500 11.443 1.00 0.00 C ATOM 114 C6 DC A 4 3.849 0.562 11.571 1.00 0.00 C ATOM 0 H5' DC A 4 8.235 2.703 10.168 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.623 3.449 11.705 1.00 0.00 H new ATOM 0 H4' DC A 4 6.758 4.536 10.573 1.00 0.00 H new ATOM 0 H3' DC A 4 6.732 3.928 13.341 1.00 0.00 H new ATOM 0 H2' DC A 4 4.948 2.333 13.243 1.00 0.00 H new ATOM 0 H2'' DC A 4 3.998 3.805 13.238 1.00 0.00 H new ATOM 0 H1' DC A 4 3.764 3.829 10.886 1.00 0.00 H new ATOM 0 H41 DC A 4 1.133 -2.193 10.932 1.00 0.00 H new ATOM 0 H42 DC A 4 0.084 -1.104 10.019 1.00 0.00 H new ATOM 0 H5 DC A 4 3.263 -1.465 11.858 1.00 0.00 H new ATOM 0 H6 DC A 4 4.796 0.441 12.077 1.00 0.00 H new HETATM 126 P NCX A 5 5.682 6.401 13.744 1.00 0.00 P HETATM 127 OP1 NCX A 5 5.958 7.791 13.318 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.506 5.782 14.804 1.00 0.00 O HETATM 129 O5' NCX A 5 4.137 6.304 14.187 1.00 0.00 O HETATM 130 C5' NCX A 5 3.139 7.101 13.566 1.00 0.00 C HETATM 131 C4' NCX A 5 1.795 7.040 14.307 1.00 0.00 C HETATM 132 O4' NCX A 5 1.059 5.885 13.922 1.00 0.00 O HETATM 133 C1' NCX A 5 0.625 5.206 15.087 1.00 0.00 C HETATM 134 N9 NCX A 5 0.475 3.765 14.788 1.00 0.00 N HETATM 135 C8 NCX A 5 1.352 2.709 15.035 1.00 0.00 C HETATM 136 C7 NCX A 5 0.786 1.522 14.593 1.00 0.00 C HETATM 137 CO7 NCX A 5 1.484 0.230 14.747 1.00 0.00 C HETATM 138 O7 NCX A 5 2.617 0.090 15.145 1.00 0.00 O HETATM 139 NH7 NCX A 5 0.815 -0.886 14.475 1.00 0.00 N HETATM 140 C5 NCX A 5 -0.476 1.890 14.028 1.00 0.00 C HETATM 141 C4 NCX A 5 -0.611 3.240 14.182 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.729 3.927 13.715 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.714 3.205 13.052 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.560 1.831 12.825 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.541 1.117 11.974 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.637 1.619 11.798 1.00 0.00 O HETATM 147 O12 NCX A 5 -3.149 0.093 11.449 1.00 0.00 O HETATM 148 C6 NCX A 5 -1.441 1.157 13.347 1.00 0.00 C HETATM 149 C3' NCX A 5 1.946 7.022 15.835 1.00 0.00 C HETATM 150 C2' NCX A 5 1.664 5.557 16.150 1.00 0.00 C HETATM 151 O3' NCX A 5 0.990 7.914 16.380 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.273 -1.792 14.573 1.00 0.00 H new HETATM 0 HH71 NCX A 5 -0.157 -0.836 14.168 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.480 8.135 13.522 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.277 5.423 17.160 1.00 0.00 H new HETATM 0 H8 NCX A 5 2.332 2.802 15.503 1.00 0.00 H new HETATM 0 H6 NCX A 5 -1.333 0.080 13.220 1.00 0.00 H new HETATM 0 H5' NCX A 5 2.999 6.767 12.538 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.265 7.950 14.026 1.00 0.00 H new HETATM 0 H3' NCX A 5 2.906 7.342 16.240 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.829 5.002 13.866 1.00 0.00 H new HETATM 0 H2' NCX A 5 2.559 4.941 16.067 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.614 3.712 12.705 1.00 0.00 H new HETATM 0 H1' NCX A 5 -0.359 5.500 15.452 1.00 0.00 H new ATOM 165 P DA A 6 0.901 8.262 17.955 1.00 0.00 P ATOM 166 OP1 DA A 6 0.865 9.732 18.113 1.00 0.00 O ATOM 167 OP2 DA A 6 1.884 7.449 18.702 1.00 0.00 O ATOM 168 O5' DA A 6 -0.555 7.681 18.279 1.00 0.00 O ATOM 169 C5' DA A 6 -1.705 8.229 17.659 1.00 0.00 C ATOM 170 C4' DA A 6 -2.979 7.481 18.061 1.00 0.00 C ATOM 171 O4' DA A 6 -2.879 6.123 17.651 1.00 0.00 O ATOM 172 C3' DA A 6 -3.248 7.512 19.568 1.00 0.00 C ATOM 173 O3' DA A 6 -4.651 7.603 19.768 1.00 0.00 O ATOM 174 C2' DA A 6 -2.632 6.194 20.019 1.00 0.00 C ATOM 175 C1' DA A 6 -2.803 5.288 18.795 1.00 0.00 C ATOM 176 N9 DA A 6 -1.714 4.291 18.618 1.00 0.00 N ATOM 177 C8 DA A 6 -0.372 4.364 18.923 1.00 0.00 C ATOM 178 N7 DA A 6 0.290 3.254 18.708 1.00 0.00 N ATOM 179 C5 DA A 6 -0.684 2.389 18.196 1.00 0.00 C ATOM 180 C6 DA A 6 -0.695 1.043 17.748 1.00 0.00 C ATOM 181 N6 DA A 6 0.363 0.245 17.757 1.00 0.00 N ATOM 182 N1 DA A 6 -1.821 0.493 17.271 1.00 0.00 N ATOM 183 C2 DA A 6 -2.918 1.249 17.260 1.00 0.00 C ATOM 184 N3 DA A 6 -3.062 2.500 17.669 1.00 0.00 N ATOM 185 C4 DA A 6 -1.896 3.023 18.124 1.00 0.00 C ATOM 0 H5' DA A 6 -1.587 8.190 16.576 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.799 9.280 17.932 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.807 7.989 17.567 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.832 8.350 20.127 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.583 6.312 20.289 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.142 5.790 20.893 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.711 4.703 18.941 1.00 0.00 H new ATOM 0 H8 DA A 6 0.094 5.260 19.306 1.00 0.00 H new ATOM 0 H61 DA A 6 0.281 -0.714 17.419 1.00 0.00 H new ATOM 0 H62 DA A 6 1.259 0.590 18.102 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.807 0.779 16.865 1.00 0.00 H new ATOM 197 P DC A 7 -5.331 7.616 21.233 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.571 8.421 21.165 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.293 7.928 22.239 1.00 0.00 O ATOM 200 O5' DC A 7 -5.739 6.067 21.383 1.00 0.00 O ATOM 201 C5' DC A 7 -6.730 5.502 20.541 1.00 0.00 C ATOM 202 C4' DC A 7 -6.851 3.984 20.713 1.00 0.00 C ATOM 203 O4' DC A 7 -5.639 3.353 20.295 1.00 0.00 O ATOM 204 C3' DC A 7 -7.138 3.528 22.154 1.00 0.00 C ATOM 205 O3' DC A 7 -8.099 2.487 22.103 1.00 0.00 O ATOM 206 C2' DC A 7 -5.758 3.068 22.577 1.00 0.00 C ATOM 207 C1' DC A 7 -5.306 2.396 21.281 1.00 0.00 C ATOM 208 N1 DC A 7 -3.859 2.052 21.249 1.00 0.00 N ATOM 209 C2 DC A 7 -3.473 0.767 20.854 1.00 0.00 C ATOM 210 O2 DC A 7 -4.292 -0.073 20.491 1.00 0.00 O ATOM 211 N3 DC A 7 -2.163 0.406 20.890 1.00 0.00 N ATOM 212 C4 DC A 7 -1.266 1.271 21.328 1.00 0.00 C ATOM 213 N4 DC A 7 -0.017 0.878 21.313 1.00 0.00 N ATOM 214 C5 DC A 7 -1.607 2.588 21.753 1.00 0.00 C ATOM 215 C6 DC A 7 -2.913 2.942 21.688 1.00 0.00 C ATOM 0 H5' DC A 7 -6.491 5.729 19.502 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.692 5.967 20.756 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.704 3.693 20.100 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.554 4.264 22.842 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.111 3.896 22.867 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.787 2.377 23.419 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.788 1.429 21.140 1.00 0.00 H new ATOM 0 H41 DC A 7 0.719 1.504 21.640 1.00 0.00 H new ATOM 0 H42 DC A 7 0.220 -0.055 20.975 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.855 3.275 22.112 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.212 3.936 21.985 1.00 0.00 H new ATOM 227 P DG A 8 -8.761 1.829 23.417 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.230 1.956 23.325 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.044 2.294 24.623 1.00 0.00 O ATOM 230 O5' DG A 8 -8.371 0.291 23.176 1.00 0.00 O ATOM 231 C5' DG A 8 -8.873 -0.413 22.051 1.00 0.00 C ATOM 232 C4' DG A 8 -8.535 -1.908 22.114 1.00 0.00 C ATOM 233 O4' DG A 8 -7.140 -2.072 21.915 1.00 0.00 O ATOM 234 C3' DG A 8 -8.904 -2.543 23.463 1.00 0.00 C ATOM 235 O3' DG A 8 -9.338 -3.882 23.293 1.00 0.00 O ATOM 236 C2' DG A 8 -7.581 -2.508 24.216 1.00 0.00 C ATOM 237 C1' DG A 8 -6.571 -2.643 23.077 1.00 0.00 C ATOM 238 N9 DG A 8 -5.281 -1.994 23.386 1.00 0.00 N ATOM 239 C8 DG A 8 -5.011 -0.679 23.676 1.00 0.00 C ATOM 240 N7 DG A 8 -3.744 -0.435 23.892 1.00 0.00 N ATOM 241 C5 DG A 8 -3.128 -1.682 23.733 1.00 0.00 C ATOM 242 C6 DG A 8 -1.752 -2.098 23.817 1.00 0.00 C ATOM 243 O6 DG A 8 -0.739 -1.439 24.039 1.00 0.00 O ATOM 244 N1 DG A 8 -1.579 -3.454 23.607 1.00 0.00 N ATOM 245 C2 DG A 8 -2.591 -4.325 23.340 1.00 0.00 C ATOM 246 N2 DG A 8 -2.272 -5.577 23.111 1.00 0.00 N ATOM 247 N3 DG A 8 -3.874 -3.982 23.264 1.00 0.00 N ATOM 248 C4 DG A 8 -4.076 -2.645 23.456 1.00 0.00 C ATOM 0 H5' DG A 8 -8.456 0.015 21.139 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.954 -0.287 21.997 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.117 -2.404 21.338 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.718 -2.028 23.973 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.450 -1.579 24.771 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.498 -3.323 24.935 1.00 0.00 H new ATOM 0 HO3' DG A 8 -9.566 -4.265 24.166 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.356 -3.701 22.926 1.00 0.00 H new ATOM 0 H8 DG A 8 -5.774 0.084 23.722 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.631 -3.826 23.655 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.002 -6.260 22.907 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.294 -5.867 23.137 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.962 -8.481 23.687 1.00 0.00 O ATOM 263 C5' DC B 9 5.102 -9.578 23.928 1.00 0.00 C ATOM 264 C4' DC B 9 3.747 -9.355 23.244 1.00 0.00 C ATOM 265 O4' DC B 9 3.249 -8.066 23.594 1.00 0.00 O ATOM 266 C3' DC B 9 3.799 -9.416 21.710 1.00 0.00 C ATOM 267 O3' DC B 9 2.686 -10.190 21.293 1.00 0.00 O ATOM 268 C2' DC B 9 3.677 -7.947 21.325 1.00 0.00 C ATOM 269 C1' DC B 9 2.719 -7.479 22.418 1.00 0.00 C ATOM 270 N1 DC B 9 2.564 -6.004 22.604 1.00 0.00 N ATOM 271 C2 DC B 9 1.315 -5.533 23.031 1.00 0.00 C ATOM 272 O2 DC B 9 0.356 -6.288 23.183 1.00 0.00 O ATOM 273 N3 DC B 9 1.126 -4.215 23.292 1.00 0.00 N ATOM 274 C4 DC B 9 2.121 -3.369 23.093 1.00 0.00 C ATOM 275 N4 DC B 9 1.877 -2.110 23.362 1.00 0.00 N ATOM 276 C5 DC B 9 3.412 -3.785 22.648 1.00 0.00 C ATOM 277 C6 DC B 9 3.596 -5.110 22.413 1.00 0.00 C ATOM 0 H5' DC B 9 4.958 -9.707 25.001 1.00 0.00 H new ATOM 0 H5'' DC B 9 5.558 -10.495 23.555 1.00 0.00 H new ATOM 0 H4' DC B 9 3.107 -10.166 23.591 1.00 0.00 H new ATOM 0 H3' DC B 9 4.685 -9.868 21.264 1.00 0.00 H new ATOM 0 H2' DC B 9 4.634 -7.425 21.355 1.00 0.00 H new ATOM 0 H2'' DC B 9 3.270 -7.809 20.323 1.00 0.00 H new ATOM 0 HO5' DC B 9 5.428 -7.670 23.556 1.00 0.00 H new ATOM 0 H1' DC B 9 1.706 -7.779 22.149 1.00 0.00 H new ATOM 0 H41 DC B 9 2.606 -1.409 23.228 1.00 0.00 H new ATOM 0 H42 DC B 9 0.958 -1.831 23.705 1.00 0.00 H new ATOM 0 H5 DC B 9 4.212 -3.074 22.504 1.00 0.00 H new ATOM 0 H6 DC B 9 4.558 -5.466 22.074 1.00 0.00 H new ATOM 290 P DG B 10 2.420 -10.583 19.753 1.00 0.00 P ATOM 291 OP1 DG B 10 2.146 -12.035 19.699 1.00 0.00 O ATOM 292 OP2 DG B 10 3.495 -9.996 18.924 1.00 0.00 O ATOM 293 O5' DG B 10 1.050 -9.783 19.465 1.00 0.00 O ATOM 294 C5' DG B 10 -0.169 -10.204 20.061 1.00 0.00 C ATOM 295 C4' DG B 10 -1.406 -9.467 19.525 1.00 0.00 C ATOM 296 O4' DG B 10 -1.443 -8.164 20.084 1.00 0.00 O ATOM 297 C3' DG B 10 -1.467 -9.342 17.999 1.00 0.00 C ATOM 298 O3' DG B 10 -2.823 -9.471 17.589 1.00 0.00 O ATOM 299 C2' DG B 10 -0.930 -7.937 17.792 1.00 0.00 C ATOM 300 C1' DG B 10 -1.473 -7.225 19.028 1.00 0.00 C ATOM 301 N9 DG B 10 -0.669 -6.051 19.413 1.00 0.00 N ATOM 302 C8 DG B 10 0.693 -5.925 19.478 1.00 0.00 C ATOM 303 N7 DG B 10 1.104 -4.739 19.832 1.00 0.00 N ATOM 304 C5 DG B 10 -0.083 -4.016 20.003 1.00 0.00 C ATOM 305 C6 DG B 10 -0.328 -2.641 20.346 1.00 0.00 C ATOM 306 O6 DG B 10 0.469 -1.736 20.584 1.00 0.00 O ATOM 307 N1 DG B 10 -1.674 -2.326 20.397 1.00 0.00 N ATOM 308 C2 DG B 10 -2.681 -3.208 20.147 1.00 0.00 C ATOM 309 N2 DG B 10 -3.908 -2.750 20.167 1.00 0.00 N ATOM 310 N3 DG B 10 -2.492 -4.481 19.812 1.00 0.00 N ATOM 311 C4 DG B 10 -1.172 -4.825 19.760 1.00 0.00 C ATOM 0 H5' DG B 10 -0.107 -10.054 21.139 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.294 -11.274 19.894 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.264 -10.071 19.819 1.00 0.00 H new ATOM 0 H3' DG B 10 -0.912 -10.089 17.432 1.00 0.00 H new ATOM 0 H2' DG B 10 0.159 -7.915 17.750 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.294 -7.490 16.867 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.477 -6.861 18.812 1.00 0.00 H new ATOM 0 H8 DG B 10 1.369 -6.738 19.255 1.00 0.00 H new ATOM 0 H1 DG B 10 -1.929 -1.368 20.638 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.690 -3.379 19.985 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.081 -1.764 20.365 1.00 0.00 H new ATOM 323 P DT B 11 -3.264 -9.483 16.035 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.257 -10.563 15.855 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.044 -9.450 15.202 1.00 0.00 O ATOM 326 O5' DT B 11 -4.015 -8.062 15.873 1.00 0.00 O ATOM 327 C5' DT B 11 -5.358 -7.890 16.312 1.00 0.00 C ATOM 328 C4' DT B 11 -5.937 -6.520 15.924 1.00 0.00 C ATOM 329 O4' DT B 11 -5.272 -5.561 16.747 1.00 0.00 O ATOM 330 C3' DT B 11 -5.746 -6.213 14.436 1.00 0.00 C ATOM 331 O3' DT B 11 -6.942 -5.848 13.746 1.00 0.00 O ATOM 332 C2' DT B 11 -4.858 -4.989 14.504 1.00 0.00 C ATOM 333 C1' DT B 11 -4.726 -4.533 15.951 1.00 0.00 C ATOM 334 N1 DT B 11 -3.352 -4.119 16.352 1.00 0.00 N ATOM 335 C2 DT B 11 -3.208 -2.849 16.927 1.00 0.00 C ATOM 336 O2 DT B 11 -4.144 -2.096 17.173 1.00 0.00 O ATOM 337 N3 DT B 11 -1.929 -2.393 17.140 1.00 0.00 N ATOM 338 C4 DT B 11 -0.774 -3.060 16.799 1.00 0.00 C ATOM 339 O4 DT B 11 0.298 -2.499 17.009 1.00 0.00 O ATOM 340 C5 DT B 11 -0.984 -4.375 16.191 1.00 0.00 C ATOM 341 C7 DT B 11 0.209 -5.201 15.742 1.00 0.00 C ATOM 342 C6 DT B 11 -2.244 -4.850 15.982 1.00 0.00 C ATOM 0 H5' DT B 11 -5.399 -8.004 17.395 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.979 -8.677 15.885 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.015 -6.499 16.083 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.368 -7.083 13.899 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.875 -5.218 14.093 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.279 -4.188 13.897 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.280 -3.605 16.095 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.827 -1.483 17.589 1.00 0.00 H new ATOM 0 H71 DT B 11 1.021 -4.537 15.445 1.00 0.00 H new ATOM 0 H72 DT B 11 0.542 -5.836 16.563 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.078 -5.824 14.895 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.377 -5.816 15.518 1.00 0.00 H new ATOM 355 P DT B 12 -6.979 -5.756 12.114 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.104 -6.592 11.638 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.614 -6.001 11.601 1.00 0.00 O ATOM 358 O5' DT B 12 -7.326 -4.213 11.777 1.00 0.00 O ATOM 359 C5' DT B 12 -8.668 -3.758 11.721 1.00 0.00 C ATOM 360 C4' DT B 12 -8.825 -2.241 11.930 1.00 0.00 C ATOM 361 O4' DT B 12 -7.944 -1.804 12.967 1.00 0.00 O ATOM 362 C3' DT B 12 -8.571 -1.260 10.778 1.00 0.00 C ATOM 363 O3' DT B 12 -9.460 -0.207 11.129 1.00 0.00 O ATOM 364 C2' DT B 12 -7.080 -1.027 10.903 1.00 0.00 C ATOM 365 C1' DT B 12 -6.908 -0.989 12.414 1.00 0.00 C ATOM 366 N1 DT B 12 -5.571 -1.466 12.915 1.00 0.00 N ATOM 367 C2 DT B 12 -5.071 -0.836 14.061 1.00 0.00 C ATOM 368 O2 DT B 12 -5.702 -0.039 14.746 1.00 0.00 O ATOM 369 N3 DT B 12 -3.770 -1.121 14.413 1.00 0.00 N ATOM 370 C4 DT B 12 -2.893 -1.920 13.711 1.00 0.00 C ATOM 371 O4 DT B 12 -1.736 -2.013 14.109 1.00 0.00 O ATOM 372 C5 DT B 12 -3.465 -2.573 12.544 1.00 0.00 C ATOM 373 C7 DT B 12 -2.587 -3.406 11.617 1.00 0.00 C ATOM 374 C6 DT B 12 -4.776 -2.387 12.233 1.00 0.00 C ATOM 0 H5' DT B 12 -9.250 -4.281 12.480 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.092 -4.027 10.753 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.896 -2.192 12.125 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.759 -1.507 9.733 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.499 -1.827 10.443 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.769 -0.095 10.431 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.966 0.054 12.727 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.423 -0.701 15.275 1.00 0.00 H new ATOM 0 H71 DT B 12 -3.183 -4.200 11.168 1.00 0.00 H new ATOM 0 H72 DT B 12 -2.180 -2.769 10.832 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.769 -3.845 12.188 1.00 0.00 H new ATOM 0 H6 DT B 12 -5.214 -2.969 11.435 1.00 0.00 H new ATOM 387 P DG B 13 -9.259 1.378 10.949 1.00 0.00 P ATOM 388 OP1 DG B 13 -8.430 1.828 12.083 1.00 0.00 O ATOM 389 OP2 DG B 13 -10.640 1.903 10.845 1.00 0.00 O ATOM 390 O5' DG B 13 -8.496 1.877 9.610 1.00 0.00 O ATOM 391 C5' DG B 13 -8.819 3.199 9.190 1.00 0.00 C ATOM 392 C4' DG B 13 -7.731 4.026 8.486 1.00 0.00 C ATOM 393 O4' DG B 13 -6.484 3.690 9.077 1.00 0.00 O ATOM 394 C3' DG B 13 -7.583 4.003 6.954 1.00 0.00 C ATOM 395 O3' DG B 13 -7.463 5.351 6.504 1.00 0.00 O ATOM 396 C2' DG B 13 -6.322 3.203 6.770 1.00 0.00 C ATOM 397 C1' DG B 13 -5.550 3.377 8.070 1.00 0.00 C ATOM 398 N9 DG B 13 -4.824 2.127 8.355 1.00 0.00 N ATOM 399 C8 DG B 13 -5.267 0.831 8.292 1.00 0.00 C ATOM 400 N7 DG B 13 -4.323 -0.064 8.403 1.00 0.00 N ATOM 401 C5 DG B 13 -3.162 0.703 8.572 1.00 0.00 C ATOM 402 C6 DG B 13 -1.787 0.343 8.801 1.00 0.00 C ATOM 403 O6 DG B 13 -1.272 -0.766 8.941 1.00 0.00 O ATOM 404 N1 DG B 13 -0.953 1.444 8.910 1.00 0.00 N ATOM 405 C2 DG B 13 -1.374 2.737 8.847 1.00 0.00 C ATOM 406 N2 DG B 13 -0.490 3.690 8.994 1.00 0.00 N ATOM 407 N3 DG B 13 -2.628 3.108 8.639 1.00 0.00 N ATOM 408 C4 DG B 13 -3.474 2.044 8.529 1.00 0.00 C ATOM 0 H5' DG B 13 -9.145 3.757 10.068 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.675 3.135 8.518 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.076 5.048 8.643 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.413 3.572 6.394 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.545 2.153 6.581 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.746 3.565 5.918 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.815 4.180 8.011 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.308 0.573 8.162 1.00 0.00 H new ATOM 0 H1 DG B 13 0.043 1.274 9.047 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.781 4.667 8.951 1.00 0.00 H new ATOM 0 H22 DG B 13 0.490 3.456 9.152 1.00 0.00 H new ATOM 420 P DT B 14 -7.130 5.776 4.975 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.905 6.995 4.659 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.243 4.582 4.109 1.00 0.00 O ATOM 423 O5' DT B 14 -5.568 6.182 5.074 1.00 0.00 O ATOM 424 C5' DT B 14 -5.161 7.270 5.894 1.00 0.00 C ATOM 425 C4' DT B 14 -3.654 7.571 5.834 1.00 0.00 C ATOM 426 O4' DT B 14 -2.913 6.440 6.273 1.00 0.00 O ATOM 427 C3' DT B 14 -3.141 7.971 4.444 1.00 0.00 C ATOM 428 O3' DT B 14 -2.195 9.022 4.590 1.00 0.00 O ATOM 429 C2' DT B 14 -2.511 6.677 3.958 1.00 0.00 C ATOM 430 C1' DT B 14 -1.996 6.060 5.260 1.00 0.00 C ATOM 431 N1 DT B 14 -1.902 4.576 5.225 1.00 0.00 N ATOM 432 C2 DT B 14 -0.706 3.974 5.638 1.00 0.00 C ATOM 433 O2 DT B 14 0.297 4.603 5.957 1.00 0.00 O ATOM 434 N3 DT B 14 -0.687 2.596 5.679 1.00 0.00 N ATOM 435 C4 DT B 14 -1.744 1.771 5.351 1.00 0.00 C ATOM 436 O4 DT B 14 -1.597 0.559 5.459 1.00 0.00 O ATOM 437 C5 DT B 14 -2.955 2.457 4.906 1.00 0.00 C ATOM 438 C7 DT B 14 -4.193 1.662 4.517 1.00 0.00 C ATOM 439 C6 DT B 14 -2.991 3.814 4.855 1.00 0.00 C ATOM 0 H5' DT B 14 -5.437 7.056 6.927 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.711 8.162 5.595 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.508 8.430 6.490 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.893 8.347 3.750 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.236 6.033 3.461 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.705 6.858 3.247 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.982 6.420 5.437 1.00 0.00 H new ATOM 0 H3 DT B 14 0.180 2.149 5.976 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.893 0.693 4.119 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.822 1.515 5.395 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.753 2.208 3.758 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.891 4.307 4.518 1.00 0.00 H new ATOM 452 P DA B 15 -1.473 9.724 3.325 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.136 11.114 3.699 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.283 9.456 2.117 1.00 0.00 O ATOM 455 O5' DA B 15 -0.101 8.883 3.211 1.00 0.00 O ATOM 456 C5' DA B 15 0.925 9.034 4.180 1.00 0.00 C ATOM 457 C4' DA B 15 2.143 8.149 3.889 1.00 0.00 C ATOM 458 O4' DA B 15 1.807 6.777 4.068 1.00 0.00 O ATOM 459 C3' DA B 15 2.696 8.322 2.468 1.00 0.00 C ATOM 460 O3' DA B 15 4.096 8.557 2.540 1.00 0.00 O ATOM 461 C2' DA B 15 2.365 6.979 1.836 1.00 0.00 C ATOM 462 C1' DA B 15 2.409 6.029 3.032 1.00 0.00 C ATOM 463 N9 DA B 15 1.658 4.767 2.819 1.00 0.00 N ATOM 464 C8 DA B 15 0.389 4.604 2.316 1.00 0.00 C ATOM 465 N7 DA B 15 -0.038 3.370 2.305 1.00 0.00 N ATOM 466 C5 DA B 15 1.048 2.657 2.828 1.00 0.00 C ATOM 467 C6 DA B 15 1.289 1.291 3.104 1.00 0.00 C ATOM 468 N6 DA B 15 0.391 0.332 2.941 1.00 0.00 N ATOM 469 N1 DA B 15 2.477 0.890 3.569 1.00 0.00 N ATOM 470 C2 DA B 15 3.407 1.814 3.788 1.00 0.00 C ATOM 471 N3 DA B 15 3.317 3.128 3.595 1.00 0.00 N ATOM 472 C4 DA B 15 2.095 3.494 3.118 1.00 0.00 C ATOM 0 H5' DA B 15 0.529 8.788 5.165 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.238 10.078 4.213 1.00 0.00 H new ATOM 0 H4' DA B 15 2.914 8.464 4.592 1.00 0.00 H new ATOM 0 H3' DA B 15 2.286 9.159 1.903 1.00 0.00 H new ATOM 0 H2' DA B 15 1.385 6.986 1.359 1.00 0.00 H new ATOM 0 H2'' DA B 15 3.090 6.701 1.071 1.00 0.00 H new ATOM 0 H1' DA B 15 3.431 5.709 3.237 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.207 5.431 1.958 1.00 0.00 H new ATOM 0 H61 DA B 15 0.632 -0.635 3.160 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.542 0.560 2.597 1.00 0.00 H new ATOM 0 H2 DA B 15 4.351 1.455 4.169 1.00 0.00 H new ATOM 484 P DC B 16 4.977 8.920 1.235 1.00 0.00 P ATOM 485 OP1 DC B 16 6.098 9.796 1.641 1.00 0.00 O ATOM 486 OP2 DC B 16 4.074 9.325 0.137 1.00 0.00 O ATOM 487 O5' DC B 16 5.584 7.480 0.864 1.00 0.00 O ATOM 488 C5' DC B 16 6.633 6.916 1.631 1.00 0.00 C ATOM 489 C4' DC B 16 7.000 5.520 1.125 1.00 0.00 C ATOM 490 O4' DC B 16 6.046 4.564 1.542 1.00 0.00 O ATOM 491 C3' DC B 16 7.063 5.400 -0.400 1.00 0.00 C ATOM 492 O3' DC B 16 8.310 5.823 -0.921 1.00 0.00 O ATOM 493 C2' DC B 16 6.866 3.902 -0.591 1.00 0.00 C ATOM 494 C1' DC B 16 6.119 3.450 0.673 1.00 0.00 C ATOM 495 N1 DC B 16 4.741 2.987 0.369 1.00 0.00 N ATOM 496 C2 DC B 16 4.440 1.629 0.504 1.00 0.00 C ATOM 497 O2 DC B 16 5.283 0.812 0.872 1.00 0.00 O ATOM 498 N3 DC B 16 3.199 1.177 0.203 1.00 0.00 N ATOM 499 C4 DC B 16 2.281 2.032 -0.214 1.00 0.00 C ATOM 500 N4 DC B 16 1.089 1.530 -0.421 1.00 0.00 N ATOM 501 C5 DC B 16 2.542 3.423 -0.399 1.00 0.00 C ATOM 502 C6 DC B 16 3.791 3.864 -0.092 1.00 0.00 C ATOM 0 H5' DC B 16 6.332 6.859 2.677 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.509 7.564 1.586 1.00 0.00 H new ATOM 0 H4' DC B 16 7.990 5.341 1.545 1.00 0.00 H new ATOM 0 H3' DC B 16 6.333 6.023 -0.917 1.00 0.00 H new ATOM 0 H2' DC B 16 6.289 3.689 -1.491 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.820 3.386 -0.694 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.306 5.728 -1.896 1.00 0.00 H new ATOM 0 H1' DC B 16 6.655 2.614 1.122 1.00 0.00 H new ATOM 0 H41 DC B 16 0.331 2.132 -0.744 1.00 0.00 H new ATOM 0 H42 DC B 16 0.919 0.537 -0.260 1.00 0.00 H new ATOM 0 H5 DC B 16 1.781 4.095 -0.767 1.00 0.00 H new ATOM 0 H6 DC B 16 4.037 4.909 -0.211 1.00 0.00 H new TER 515 DC B 16