USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 225 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 6 DT C7 :methyl 150:sc= -2.08! (180deg=-2.08!) USER MOD Set 1.2: A 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 11 DT C7 :methyl -30:sc= -0.0505 (180deg=-0.762) USER MOD Single : A 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 15.560 5.355 -0.522 1.00 1.57 O ATOM 2 C5' DT A 1 14.475 5.077 -1.410 1.00 1.15 C ATOM 3 C4' DT A 1 13.185 5.744 -0.936 1.00 0.86 C ATOM 4 O4' DT A 1 12.134 5.449 -1.839 1.00 0.67 O ATOM 5 C3' DT A 1 12.714 5.277 0.427 1.00 0.74 C ATOM 6 O3' DT A 1 11.945 6.316 1.051 1.00 0.76 O ATOM 7 C2' DT A 1 11.812 4.078 0.106 1.00 0.61 C ATOM 8 C1' DT A 1 11.431 4.293 -1.376 1.00 0.49 C ATOM 9 N1 DT A 1 11.746 3.138 -2.284 1.00 0.63 N ATOM 10 C2 DT A 1 12.281 3.406 -3.548 1.00 0.94 C ATOM 11 O2 DT A 1 12.504 4.542 -3.955 1.00 1.03 O ATOM 12 N3 DT A 1 12.537 2.310 -4.346 1.00 1.27 N ATOM 13 C4 DT A 1 12.314 0.989 -4.019 1.00 1.32 C ATOM 14 O4 DT A 1 12.590 0.096 -4.815 1.00 1.71 O ATOM 15 C5 DT A 1 11.760 0.796 -2.702 1.00 0.97 C ATOM 16 C7 DT A 1 11.462 -0.619 -2.215 1.00 1.05 C ATOM 17 C6 DT A 1 11.497 1.840 -1.891 1.00 0.66 C ATOM 0 H5' DT A 1 14.326 3.999 -1.479 1.00 1.15 H new ATOM 0 H5'' DT A 1 14.722 5.429 -2.411 1.00 1.15 H new ATOM 0 H4' DT A 1 13.417 6.808 -0.882 1.00 0.86 H new ATOM 0 H3' DT A 1 13.531 5.025 1.104 1.00 0.74 H new ATOM 0 H2' DT A 1 12.335 3.133 0.252 1.00 0.61 H new ATOM 0 H2'' DT A 1 10.931 4.057 0.747 1.00 0.61 H new ATOM 0 HO5' DT A 1 16.372 4.914 -0.849 1.00 1.57 H new ATOM 0 H1' DT A 1 10.348 4.407 -1.411 1.00 0.49 H new ATOM 0 H3 DT A 1 12.930 2.495 -5.269 1.00 1.27 H new ATOM 0 H71 DT A 1 11.571 -0.661 -1.131 1.00 1.05 H new ATOM 0 H72 DT A 1 10.442 -0.891 -2.488 1.00 1.05 H new ATOM 0 H73 DT A 1 12.160 -1.317 -2.677 1.00 1.05 H new ATOM 0 H6 DT A 1 11.082 1.656 -0.911 1.00 0.66 H new ATOM 31 P DA A 2 11.951 6.500 2.655 1.00 0.90 P ATOM 32 OP1 DA A 2 13.151 7.285 3.029 1.00 1.38 O ATOM 33 OP2 DA A 2 11.719 5.174 3.273 1.00 1.45 O ATOM 34 O5' DA A 2 10.644 7.414 2.913 1.00 0.63 O ATOM 35 C5' DA A 2 10.449 8.644 2.200 1.00 0.57 C ATOM 36 C4' DA A 2 9.135 8.639 1.415 1.00 0.58 C ATOM 37 O4' DA A 2 9.104 7.502 0.541 1.00 0.55 O ATOM 38 C3' DA A 2 7.877 8.562 2.292 1.00 0.74 C ATOM 39 O3' DA A 2 6.873 9.452 1.771 1.00 1.01 O ATOM 40 C2' DA A 2 7.425 7.121 2.132 1.00 0.76 C ATOM 41 C1' DA A 2 7.842 6.861 0.699 1.00 0.61 C ATOM 42 N9 DA A 2 7.999 5.437 0.338 1.00 0.52 N ATOM 43 C8 DA A 2 8.196 4.348 1.149 1.00 0.52 C ATOM 44 N7 DA A 2 8.253 3.213 0.502 1.00 0.52 N ATOM 45 C5 DA A 2 8.086 3.580 -0.832 1.00 0.49 C ATOM 46 C6 DA A 2 8.051 2.842 -2.032 1.00 0.54 C ATOM 47 N6 DA A 2 8.185 1.514 -2.086 1.00 0.57 N ATOM 48 N1 DA A 2 7.872 3.533 -3.172 1.00 0.62 N ATOM 49 C2 DA A 2 7.740 4.855 -3.114 1.00 0.66 C ATOM 50 N3 DA A 2 7.754 5.649 -2.060 1.00 0.63 N ATOM 51 C4 DA A 2 7.934 4.933 -0.935 1.00 0.52 C ATOM 0 H5' DA A 2 11.282 8.804 1.515 1.00 0.57 H new ATOM 0 H5'' DA A 2 10.450 9.477 2.903 1.00 0.57 H new ATOM 0 H4' DA A 2 9.115 9.588 0.879 1.00 0.58 H new ATOM 0 H3' DA A 2 8.053 8.842 3.331 1.00 0.74 H new ATOM 0 H2' DA A 2 7.918 6.451 2.836 1.00 0.76 H new ATOM 0 H2'' DA A 2 6.351 7.004 2.280 1.00 0.76 H new ATOM 0 H1' DA A 2 7.053 7.238 0.049 1.00 0.61 H new ATOM 0 H8 DA A 2 8.295 4.421 2.222 1.00 0.52 H new ATOM 0 H61 DA A 2 8.151 1.034 -2.985 1.00 0.57 H new ATOM 0 H62 DA A 2 8.321 0.980 -1.228 1.00 0.57 H new ATOM 0 H2 DA A 2 7.602 5.349 -4.064 1.00 0.66 H new ATOM 63 P DG A 3 5.432 9.601 2.491 1.00 1.29 P ATOM 64 OP1 DG A 3 4.925 10.972 2.248 1.00 1.91 O ATOM 65 OP2 DG A 3 5.549 9.096 3.877 1.00 1.80 O ATOM 66 O5' DG A 3 4.502 8.573 1.665 1.00 0.76 O ATOM 67 C5' DG A 3 3.110 8.436 1.990 1.00 0.67 C ATOM 68 C4' DG A 3 2.210 8.842 0.824 1.00 0.48 C ATOM 69 O4' DG A 3 2.336 7.876 -0.229 1.00 0.46 O ATOM 70 C3' DG A 3 0.720 8.916 1.184 1.00 0.45 C ATOM 71 O3' DG A 3 0.098 10.004 0.469 1.00 0.46 O ATOM 72 C2' DG A 3 0.180 7.587 0.684 1.00 0.47 C ATOM 73 C1' DG A 3 1.035 7.379 -0.551 1.00 0.43 C ATOM 74 N9 DG A 3 1.169 5.969 -0.972 1.00 0.39 N ATOM 75 C8 DG A 3 0.968 5.428 -2.213 1.00 0.42 C ATOM 76 N7 DG A 3 1.151 4.138 -2.263 1.00 0.42 N ATOM 77 C5 DG A 3 1.500 3.796 -0.962 1.00 0.37 C ATOM 78 C6 DG A 3 1.820 2.526 -0.408 1.00 0.39 C ATOM 79 O6 DG A 3 1.849 1.435 -0.973 1.00 0.46 O ATOM 80 N1 DG A 3 2.119 2.621 0.944 1.00 0.40 N ATOM 81 C2 DG A 3 2.109 3.789 1.673 1.00 0.41 C ATOM 82 N2 DG A 3 2.428 3.686 2.959 1.00 0.48 N ATOM 83 N3 DG A 3 1.806 4.981 1.157 1.00 0.39 N ATOM 84 C4 DG A 3 1.514 4.911 -0.162 1.00 0.36 C ATOM 0 H5' DG A 3 2.878 9.051 2.859 1.00 0.67 H new ATOM 0 H5'' DG A 3 2.902 7.402 2.267 1.00 0.67 H new ATOM 0 H4' DG A 3 2.539 9.838 0.529 1.00 0.48 H new ATOM 0 H3' DG A 3 0.535 9.085 2.245 1.00 0.45 H new ATOM 0 H2' DG A 3 0.308 6.788 1.414 1.00 0.47 H new ATOM 0 H2'' DG A 3 -0.883 7.636 0.447 1.00 0.47 H new ATOM 0 H1' DG A 3 0.554 7.896 -1.382 1.00 0.43 H new ATOM 0 H8 DG A 3 0.684 6.016 -3.073 1.00 0.42 H new ATOM 0 H1 DG A 3 2.365 1.761 1.434 1.00 0.40 H new ATOM 0 H21 DG A 3 2.438 4.517 3.550 1.00 0.48 H new ATOM 0 H22 DG A 3 2.663 2.776 3.355 1.00 0.48 H new ATOM 96 P DG A 4 -1.512 10.180 0.439 1.00 0.51 P ATOM 97 OP1 DG A 4 -1.826 11.615 0.265 1.00 0.75 O ATOM 98 OP2 DG A 4 -2.085 9.438 1.585 1.00 0.51 O ATOM 99 O5' DG A 4 -1.929 9.412 -0.915 1.00 0.56 O ATOM 100 C5' DG A 4 -1.608 9.968 -2.198 1.00 0.60 C ATOM 101 C4' DG A 4 -2.306 9.215 -3.329 1.00 0.56 C ATOM 102 O4' DG A 4 -2.054 7.813 -3.186 1.00 0.52 O ATOM 103 C3' DG A 4 -3.824 9.392 -3.356 1.00 0.56 C ATOM 104 O3' DG A 4 -4.288 9.354 -4.716 1.00 0.58 O ATOM 105 C2' DG A 4 -4.329 8.173 -2.605 1.00 0.54 C ATOM 106 C1' DG A 4 -3.301 7.131 -3.029 1.00 0.47 C ATOM 107 N9 DG A 4 -3.082 6.027 -2.069 1.00 0.43 N ATOM 108 C8 DG A 4 -2.975 6.055 -0.696 1.00 0.44 C ATOM 109 N7 DG A 4 -2.712 4.892 -0.162 1.00 0.45 N ATOM 110 C5 DG A 4 -2.648 4.034 -1.255 1.00 0.44 C ATOM 111 C6 DG A 4 -2.395 2.639 -1.303 1.00 0.49 C ATOM 112 O6 DG A 4 -2.176 1.871 -0.369 1.00 0.56 O ATOM 113 N1 DG A 4 -2.423 2.163 -2.607 1.00 0.50 N ATOM 114 C2 DG A 4 -2.661 2.930 -3.726 1.00 0.47 C ATOM 115 N2 DG A 4 -2.649 2.297 -4.895 1.00 0.52 N ATOM 116 N3 DG A 4 -2.898 4.239 -3.682 1.00 0.44 N ATOM 117 C4 DG A 4 -2.876 4.721 -2.420 1.00 0.42 C ATOM 0 H5' DG A 4 -0.529 9.935 -2.350 1.00 0.60 H new ATOM 0 H5'' DG A 4 -1.901 11.017 -2.224 1.00 0.60 H new ATOM 0 H4' DG A 4 -1.902 9.631 -4.252 1.00 0.56 H new ATOM 0 H3' DG A 4 -4.161 10.334 -2.924 1.00 0.56 H new ATOM 0 H2' DG A 4 -4.340 8.328 -1.526 1.00 0.54 H new ATOM 0 H2'' DG A 4 -5.342 7.897 -2.898 1.00 0.54 H new ATOM 0 H1' DG A 4 -3.686 6.670 -3.939 1.00 0.47 H new ATOM 0 H8 DG A 4 -3.097 6.956 -0.114 1.00 0.44 H new ATOM 0 H1 DG A 4 -2.254 1.167 -2.747 1.00 0.50 H new ATOM 0 H21 DG A 4 -2.819 2.815 -5.757 1.00 0.52 H new ATOM 0 H22 DG A 4 -2.470 1.293 -4.930 1.00 0.52 H new ATOM 129 P DG A 5 -5.592 10.188 -5.168 1.00 0.73 P ATOM 130 OP1 DG A 5 -5.840 9.928 -6.605 1.00 0.92 O ATOM 131 OP2 DG A 5 -5.432 11.582 -4.689 1.00 0.88 O ATOM 132 O5' DG A 5 -6.766 9.485 -4.307 1.00 0.88 O ATOM 133 C5' DG A 5 -7.723 10.269 -3.577 1.00 1.00 C ATOM 134 C4' DG A 5 -8.929 9.433 -3.138 1.00 0.99 C ATOM 135 O4' DG A 5 -9.375 8.650 -4.250 1.00 0.88 O ATOM 136 C3' DG A 5 -8.642 8.467 -1.978 1.00 0.97 C ATOM 137 O3' DG A 5 -9.683 8.558 -0.969 1.00 1.51 O ATOM 138 C2' DG A 5 -8.625 7.082 -2.625 1.00 0.91 C ATOM 139 C1' DG A 5 -9.515 7.289 -3.845 1.00 0.84 C ATOM 140 N9 DG A 5 -9.185 6.451 -5.009 1.00 0.77 N ATOM 141 C8 DG A 5 -7.981 6.271 -5.640 1.00 0.88 C ATOM 142 N7 DG A 5 -8.043 5.487 -6.681 1.00 1.17 N ATOM 143 C5 DG A 5 -9.385 5.125 -6.744 1.00 1.15 C ATOM 144 C6 DG A 5 -10.061 4.286 -7.670 1.00 1.45 C ATOM 145 O6 DG A 5 -9.601 3.687 -8.637 1.00 1.77 O ATOM 146 N1 DG A 5 -11.411 4.188 -7.371 1.00 1.47 N ATOM 147 C2 DG A 5 -12.035 4.816 -6.316 1.00 1.38 C ATOM 148 N2 DG A 5 -13.339 4.605 -6.189 1.00 1.64 N ATOM 149 N3 DG A 5 -11.404 5.600 -5.449 1.00 1.17 N ATOM 150 C4 DG A 5 -10.086 5.709 -5.724 1.00 0.96 C ATOM 0 H5' DG A 5 -8.062 11.098 -4.198 1.00 1.00 H new ATOM 0 H5'' DG A 5 -7.243 10.703 -2.700 1.00 1.00 H new ATOM 0 H4' DG A 5 -9.677 10.145 -2.789 1.00 0.99 H new ATOM 0 H3' DG A 5 -7.704 8.693 -1.470 1.00 0.97 H new ATOM 0 H2' DG A 5 -7.617 6.774 -2.903 1.00 0.91 H new ATOM 0 H2'' DG A 5 -9.019 6.316 -1.958 1.00 0.91 H new ATOM 0 H1' DG A 5 -10.524 7.012 -3.540 1.00 0.84 H new ATOM 0 H8 DG A 5 -7.065 6.736 -5.306 1.00 0.88 H new ATOM 0 H1 DG A 5 -11.987 3.606 -7.979 1.00 1.47 H new ATOM 0 H21 DG A 5 -13.855 5.044 -5.426 1.00 1.64 H new ATOM 0 H22 DG A 5 -13.825 4.004 -6.854 1.00 1.64 H new ATOM 162 P DT A 6 -11.246 8.192 -1.232 1.00 1.31 P ATOM 163 OP1 DT A 6 -11.564 8.428 -2.655 1.00 1.31 O ATOM 164 OP2 DT A 6 -12.053 8.864 -0.189 1.00 1.35 O ATOM 165 O5' DT A 6 -11.305 6.601 -0.957 1.00 1.40 O ATOM 166 C5' DT A 6 -12.308 6.051 -0.086 1.00 1.03 C ATOM 167 C4' DT A 6 -11.705 5.133 0.977 1.00 1.05 C ATOM 168 O4' DT A 6 -11.551 3.808 0.457 1.00 1.06 O ATOM 169 C3' DT A 6 -10.328 5.579 1.485 1.00 1.00 C ATOM 170 O3' DT A 6 -10.369 5.695 2.913 1.00 1.28 O ATOM 171 C2' DT A 6 -9.390 4.444 1.076 1.00 1.01 C ATOM 172 C1' DT A 6 -10.352 3.272 1.002 1.00 1.09 C ATOM 173 N1 DT A 6 -9.901 2.175 0.121 1.00 1.10 N ATOM 174 C2 DT A 6 -9.467 1.000 0.713 1.00 1.35 C ATOM 175 O2 DT A 6 -9.450 0.845 1.930 1.00 1.54 O ATOM 176 N3 DT A 6 -9.054 0.006 -0.150 1.00 1.48 N ATOM 177 C4 DT A 6 -9.038 0.079 -1.529 1.00 1.43 C ATOM 178 O4 DT A 6 -8.645 -0.871 -2.200 1.00 1.66 O ATOM 179 C5 DT A 6 -9.510 1.341 -2.056 1.00 1.20 C ATOM 180 C7 DT A 6 -9.562 1.556 -3.566 1.00 1.31 C ATOM 181 C6 DT A 6 -9.915 2.327 -1.233 1.00 1.02 C ATOM 0 H5' DT A 6 -13.034 5.493 -0.677 1.00 1.03 H new ATOM 0 H5'' DT A 6 -12.849 6.862 0.401 1.00 1.03 H new ATOM 0 H4' DT A 6 -12.405 5.172 1.811 1.00 1.05 H new ATOM 0 H3' DT A 6 -10.012 6.542 1.083 1.00 1.00 H new ATOM 0 H2' DT A 6 -8.904 4.637 0.120 1.00 1.01 H new ATOM 0 H2'' DT A 6 -8.599 4.281 1.808 1.00 1.01 H new ATOM 0 H1' DT A 6 -10.454 2.838 1.996 1.00 1.09 H new ATOM 0 H3 DT A 6 -8.730 -0.865 0.270 1.00 1.48 H new ATOM 0 H71 DT A 6 -10.371 2.245 -3.808 1.00 1.31 H new ATOM 0 H72 DT A 6 -8.615 1.974 -3.907 1.00 1.31 H new ATOM 0 H73 DT A 6 -9.737 0.602 -4.063 1.00 1.31 H new ATOM 0 H6 DT A 6 -10.259 3.259 -1.656 1.00 1.02 H new ATOM 194 P DA A 7 -9.757 6.992 3.650 1.00 1.23 P ATOM 195 OP1 DA A 7 -10.526 7.226 4.895 1.00 1.73 O ATOM 196 OP2 DA A 7 -9.626 8.076 2.649 1.00 1.31 O ATOM 197 O5' DA A 7 -8.275 6.495 4.054 1.00 0.93 O ATOM 198 C5' DA A 7 -8.078 5.558 5.123 1.00 0.94 C ATOM 199 C4' DA A 7 -6.707 4.883 5.043 1.00 0.80 C ATOM 200 O4' DA A 7 -6.562 4.268 3.757 1.00 0.76 O ATOM 201 C3' DA A 7 -5.526 5.841 5.220 1.00 0.72 C ATOM 202 O3' DA A 7 -4.457 5.183 5.928 1.00 0.74 O ATOM 203 C2' DA A 7 -5.102 6.144 3.795 1.00 0.65 C ATOM 204 C1' DA A 7 -5.428 4.832 3.092 1.00 0.63 C ATOM 205 N9 DA A 7 -5.769 4.966 1.656 1.00 0.61 N ATOM 206 C8 DA A 7 -6.268 6.052 0.976 1.00 0.63 C ATOM 207 N7 DA A 7 -6.460 5.835 -0.294 1.00 0.64 N ATOM 208 C5 DA A 7 -6.063 4.515 -0.473 1.00 0.65 C ATOM 209 C6 DA A 7 -6.023 3.680 -1.603 1.00 0.72 C ATOM 210 N6 DA A 7 -6.407 4.074 -2.815 1.00 0.78 N ATOM 211 N1 DA A 7 -5.575 2.426 -1.427 1.00 0.79 N ATOM 212 C2 DA A 7 -5.197 2.039 -0.212 1.00 0.78 C ATOM 213 N3 DA A 7 -5.188 2.726 0.919 1.00 0.70 N ATOM 214 C4 DA A 7 -5.642 3.979 0.710 1.00 0.64 C ATOM 0 H5' DA A 7 -8.859 4.799 5.089 1.00 0.94 H new ATOM 0 H5'' DA A 7 -8.175 6.072 6.079 1.00 0.94 H new ATOM 0 H4' DA A 7 -6.681 4.166 5.864 1.00 0.80 H new ATOM 0 H3' DA A 7 -5.779 6.735 5.791 1.00 0.72 H new ATOM 0 H2' DA A 7 -5.655 6.983 3.373 1.00 0.65 H new ATOM 0 H2'' DA A 7 -4.043 6.393 3.727 1.00 0.65 H new ATOM 0 H1' DA A 7 -4.531 4.214 3.139 1.00 0.63 H new ATOM 0 H8 DA A 7 -6.481 6.998 1.451 1.00 0.63 H new ATOM 0 H61 DA A 7 -6.357 3.426 -3.601 1.00 0.78 H new ATOM 0 H62 DA A 7 -6.751 5.024 -2.957 1.00 0.78 H new ATOM 0 H2 DA A 7 -4.848 1.020 -0.138 1.00 0.78 H new ATOM 226 P DG A 8 -3.017 5.900 6.094 1.00 0.86 P ATOM 227 OP1 DG A 8 -3.245 7.356 6.240 1.00 1.19 O ATOM 228 OP2 DG A 8 -2.130 5.409 5.017 1.00 1.03 O ATOM 229 O5' DG A 8 -2.466 5.333 7.496 1.00 0.87 O ATOM 230 C5' DG A 8 -1.091 5.535 7.851 1.00 0.85 C ATOM 231 C4' DG A 8 -0.417 4.240 8.304 1.00 0.59 C ATOM 232 O4' DG A 8 -1.000 3.116 7.626 1.00 0.57 O ATOM 233 C3' DG A 8 1.095 4.190 8.014 1.00 0.47 C ATOM 234 O3' DG A 8 1.793 3.682 9.161 1.00 0.46 O ATOM 235 C2' DG A 8 1.202 3.206 6.871 1.00 0.44 C ATOM 236 C1' DG A 8 0.070 2.274 7.220 1.00 0.44 C ATOM 237 N9 DG A 8 -0.392 1.402 6.125 1.00 0.48 N ATOM 238 C8 DG A 8 -0.455 0.037 6.110 1.00 0.61 C ATOM 239 N7 DG A 8 -0.878 -0.461 4.989 1.00 0.64 N ATOM 240 C5 DG A 8 -1.119 0.651 4.194 1.00 0.51 C ATOM 241 C6 DG A 8 -1.598 0.724 2.861 1.00 0.52 C ATOM 242 O6 DG A 8 -1.887 -0.200 2.102 1.00 0.60 O ATOM 243 N1 DG A 8 -1.706 2.038 2.432 1.00 0.44 N ATOM 244 C2 DG A 8 -1.390 3.143 3.186 1.00 0.41 C ATOM 245 N2 DG A 8 -1.562 4.324 2.597 1.00 0.47 N ATOM 246 N3 DG A 8 -0.936 3.075 4.442 1.00 0.38 N ATOM 247 C4 DG A 8 -0.828 1.801 4.880 1.00 0.42 C ATOM 0 H5' DG A 8 -1.028 6.274 8.650 1.00 0.85 H new ATOM 0 H5'' DG A 8 -0.553 5.943 6.996 1.00 0.85 H new ATOM 0 H4' DG A 8 -0.569 4.204 9.383 1.00 0.59 H new ATOM 0 H3' DG A 8 1.521 5.166 7.782 1.00 0.47 H new ATOM 0 H2' DG A 8 1.067 3.680 5.899 1.00 0.44 H new ATOM 0 H2'' DG A 8 2.167 2.699 6.847 1.00 0.44 H new ATOM 0 H1' DG A 8 0.421 1.584 7.987 1.00 0.44 H new ATOM 0 H8 DG A 8 -0.177 -0.573 6.957 1.00 0.61 H new ATOM 0 H1 DG A 8 -2.046 2.197 1.484 1.00 0.44 H new ATOM 0 H21 DG A 8 -1.346 5.183 3.103 1.00 0.47 H new ATOM 0 H22 DG A 8 -1.910 4.370 1.639 1.00 0.47 H new ATOM 259 P DG A 9 3.393 3.467 9.136 1.00 0.43 P ATOM 260 OP1 DG A 9 4.039 4.762 9.448 1.00 0.57 O ATOM 261 OP2 DG A 9 3.754 2.751 7.898 1.00 0.60 O ATOM 262 O5' DG A 9 3.636 2.485 10.391 1.00 0.52 O ATOM 263 C5' DG A 9 3.000 1.203 10.477 1.00 0.48 C ATOM 264 C4' DG A 9 3.709 0.149 9.625 1.00 0.35 C ATOM 265 O4' DG A 9 3.186 0.143 8.300 1.00 0.36 O ATOM 266 C3' DG A 9 5.226 0.354 9.500 1.00 0.35 C ATOM 267 O3' DG A 9 5.896 -0.765 10.091 1.00 0.38 O ATOM 268 C2' DG A 9 5.488 0.397 7.998 1.00 0.36 C ATOM 269 C1' DG A 9 4.244 -0.272 7.449 1.00 0.33 C ATOM 270 N9 DG A 9 3.902 0.109 6.069 1.00 0.34 N ATOM 271 C8 DG A 9 3.875 1.353 5.505 1.00 0.38 C ATOM 272 N7 DG A 9 3.516 1.358 4.249 1.00 0.38 N ATOM 273 C5 DG A 9 3.289 0.014 3.966 1.00 0.34 C ATOM 274 C6 DG A 9 2.876 -0.609 2.757 1.00 0.34 C ATOM 275 O6 DG A 9 2.616 -0.084 1.677 1.00 0.38 O ATOM 276 N1 DG A 9 2.771 -1.985 2.907 1.00 0.36 N ATOM 277 C2 DG A 9 3.032 -2.675 4.072 1.00 0.37 C ATOM 278 N2 DG A 9 2.876 -3.991 4.025 1.00 0.42 N ATOM 279 N3 DG A 9 3.419 -2.093 5.204 1.00 0.35 N ATOM 280 C4 DG A 9 3.526 -0.753 5.078 1.00 0.33 C ATOM 0 H5' DG A 9 1.963 1.291 10.154 1.00 0.48 H new ATOM 0 H5'' DG A 9 2.983 0.876 11.517 1.00 0.48 H new ATOM 0 H4' DG A 9 3.529 -0.791 10.147 1.00 0.35 H new ATOM 0 H3' DG A 9 5.580 1.256 9.999 1.00 0.35 H new ATOM 0 H2' DG A 9 5.600 1.417 7.631 1.00 0.36 H new ATOM 0 H2'' DG A 9 6.396 -0.141 7.725 1.00 0.36 H new ATOM 0 H1' DG A 9 4.414 -1.348 7.423 1.00 0.33 H new ATOM 0 H8 DG A 9 4.128 2.251 6.049 1.00 0.38 H new ATOM 0 H1 DG A 9 2.479 -2.527 2.094 1.00 0.36 H new ATOM 0 H21 DG A 9 3.054 -4.556 4.856 1.00 0.42 H new ATOM 0 H22 DG A 9 2.578 -4.439 3.158 1.00 0.42 H new ATOM 292 P DG A 10 7.502 -0.817 10.188 1.00 0.47 P ATOM 293 OP1 DG A 10 7.870 -1.815 11.217 1.00 0.65 O ATOM 294 OP2 DG A 10 8.011 0.569 10.290 1.00 0.55 O ATOM 295 O5' DG A 10 7.923 -1.408 8.751 1.00 0.48 O ATOM 296 C5' DG A 10 7.467 -2.701 8.331 1.00 0.49 C ATOM 297 C4' DG A 10 7.786 -2.960 6.860 1.00 0.51 C ATOM 298 O4' DG A 10 7.347 -1.846 6.079 1.00 0.49 O ATOM 299 C3' DG A 10 9.274 -3.143 6.559 1.00 0.55 C ATOM 300 O3' DG A 10 9.423 -4.031 5.441 1.00 0.64 O ATOM 301 C2' DG A 10 9.716 -1.748 6.171 1.00 0.53 C ATOM 302 C1' DG A 10 8.483 -1.263 5.429 1.00 0.50 C ATOM 303 N9 DG A 10 8.284 0.195 5.422 1.00 0.48 N ATOM 304 C8 DG A 10 8.704 1.141 6.324 1.00 0.53 C ATOM 305 N7 DG A 10 8.338 2.356 6.021 1.00 0.53 N ATOM 306 C5 DG A 10 7.625 2.204 4.835 1.00 0.48 C ATOM 307 C6 DG A 10 6.980 3.176 4.023 1.00 0.50 C ATOM 308 O6 DG A 10 6.913 4.392 4.185 1.00 0.58 O ATOM 309 N1 DG A 10 6.381 2.592 2.917 1.00 0.47 N ATOM 310 C2 DG A 10 6.400 1.249 2.623 1.00 0.45 C ATOM 311 N2 DG A 10 5.776 0.883 1.508 1.00 0.48 N ATOM 312 N3 DG A 10 7.001 0.331 3.381 1.00 0.44 N ATOM 313 C4 DG A 10 7.591 0.882 4.466 1.00 0.45 C ATOM 0 H5' DG A 10 6.391 -2.777 8.489 1.00 0.49 H new ATOM 0 H5'' DG A 10 7.935 -3.470 8.946 1.00 0.49 H new ATOM 0 H4' DG A 10 7.273 -3.890 6.613 1.00 0.51 H new ATOM 0 H3' DG A 10 9.845 -3.561 7.388 1.00 0.55 H new ATOM 0 H2' DG A 10 9.947 -1.130 7.039 1.00 0.53 H new ATOM 0 H2'' DG A 10 10.604 -1.755 5.539 1.00 0.53 H new ATOM 0 H1' DG A 10 8.612 -1.557 4.387 1.00 0.50 H new ATOM 0 H8 DG A 10 9.284 0.901 7.203 1.00 0.53 H new ATOM 0 H1 DG A 10 5.887 3.207 2.271 1.00 0.47 H new ATOM 0 H21 DG A 10 5.754 -0.099 1.235 1.00 0.48 H new ATOM 0 H22 DG A 10 5.319 1.585 0.926 1.00 0.48 H new ATOM 325 P DT A 11 10.453 -5.269 5.494 1.00 1.13 P ATOM 326 OP1 DT A 11 10.015 -6.186 6.571 1.00 1.87 O ATOM 327 OP2 DT A 11 11.828 -4.721 5.508 1.00 1.56 O ATOM 328 O5' DT A 11 10.207 -5.990 4.073 1.00 0.95 O ATOM 329 C5' DT A 11 10.984 -5.633 2.920 1.00 0.76 C ATOM 330 C4' DT A 11 10.118 -5.079 1.785 1.00 0.61 C ATOM 331 O4' DT A 11 9.648 -3.758 2.114 1.00 0.56 O ATOM 332 C3' DT A 11 10.861 -4.959 0.448 1.00 0.53 C ATOM 333 O3' DT A 11 9.993 -5.385 -0.614 1.00 0.54 O ATOM 334 C2' DT A 11 11.127 -3.463 0.324 1.00 0.48 C ATOM 335 C1' DT A 11 9.878 -2.917 0.977 1.00 0.49 C ATOM 336 N1 DT A 11 9.991 -1.515 1.442 1.00 0.48 N ATOM 337 C2 DT A 11 9.221 -0.555 0.800 1.00 0.53 C ATOM 338 O2 DT A 11 8.509 -0.812 -0.167 1.00 0.59 O ATOM 339 N3 DT A 11 9.331 0.730 1.281 1.00 0.56 N ATOM 340 C4 DT A 11 10.132 1.145 2.324 1.00 0.53 C ATOM 341 O4 DT A 11 10.141 2.323 2.669 1.00 0.59 O ATOM 342 C5 DT A 11 10.907 0.087 2.930 1.00 0.50 C ATOM 343 C7 DT A 11 11.855 0.418 4.079 1.00 0.56 C ATOM 344 C6 DT A 11 10.816 -1.186 2.482 1.00 0.50 C ATOM 0 H5' DT A 11 11.527 -6.509 2.565 1.00 0.76 H new ATOM 0 H5'' DT A 11 11.729 -4.889 3.202 1.00 0.76 H new ATOM 0 H4' DT A 11 9.302 -5.793 1.674 1.00 0.61 H new ATOM 0 H3' DT A 11 11.768 -5.561 0.398 1.00 0.53 H new ATOM 0 H2' DT A 11 12.036 -3.157 0.843 1.00 0.48 H new ATOM 0 H2'' DT A 11 11.229 -3.143 -0.713 1.00 0.48 H new ATOM 0 H1' DT A 11 9.072 -2.915 0.243 1.00 0.49 H new ATOM 0 H3 DT A 11 8.766 1.444 0.822 1.00 0.56 H new ATOM 0 H71 DT A 11 12.223 1.438 3.965 1.00 0.56 H new ATOM 0 H72 DT A 11 11.324 0.328 5.026 1.00 0.56 H new ATOM 0 H73 DT A 11 12.696 -0.275 4.068 1.00 0.56 H new ATOM 0 H6 DT A 11 11.406 -1.957 2.955 1.00 0.50 H new ATOM 357 P DA A 12 10.580 -5.791 -2.062 1.00 0.66 P ATOM 358 OP1 DA A 12 10.909 -7.236 -2.045 1.00 1.00 O ATOM 359 OP2 DA A 12 11.614 -4.801 -2.444 1.00 0.85 O ATOM 360 O5' DA A 12 9.302 -5.575 -3.028 1.00 0.57 O ATOM 361 C5' DA A 12 8.736 -4.267 -3.241 1.00 0.49 C ATOM 362 C4' DA A 12 7.237 -4.353 -3.543 1.00 0.42 C ATOM 363 O4' DA A 12 6.569 -4.954 -2.426 1.00 0.47 O ATOM 364 C3' DA A 12 6.553 -3.006 -3.804 1.00 0.43 C ATOM 365 O3' DA A 12 6.447 -2.779 -5.220 1.00 0.67 O ATOM 366 C2' DA A 12 5.163 -3.217 -3.225 1.00 0.47 C ATOM 367 C1' DA A 12 5.456 -4.140 -2.047 1.00 0.45 C ATOM 368 N9 DA A 12 5.806 -3.462 -0.770 1.00 0.43 N ATOM 369 C8 DA A 12 5.915 -2.118 -0.485 1.00 0.42 C ATOM 370 N7 DA A 12 6.155 -1.861 0.769 1.00 0.46 N ATOM 371 C5 DA A 12 6.220 -3.115 1.361 1.00 0.50 C ATOM 372 C6 DA A 12 6.450 -3.523 2.683 1.00 0.59 C ATOM 373 N6 DA A 12 6.651 -2.664 3.683 1.00 0.64 N ATOM 374 N1 DA A 12 6.457 -4.844 2.928 1.00 0.67 N ATOM 375 C2 DA A 12 6.246 -5.689 1.922 1.00 0.65 C ATOM 376 N3 DA A 12 6.011 -5.428 0.647 1.00 0.57 N ATOM 377 C4 DA A 12 6.013 -4.095 0.434 1.00 0.49 C ATOM 0 H5' DA A 12 9.249 -3.777 -4.069 1.00 0.49 H new ATOM 0 H5'' DA A 12 8.896 -3.650 -2.357 1.00 0.49 H new ATOM 0 H4' DA A 12 7.161 -4.939 -4.459 1.00 0.42 H new ATOM 0 H3' DA A 12 7.088 -2.158 -3.376 1.00 0.43 H new ATOM 0 H2' DA A 12 4.705 -2.280 -2.907 1.00 0.47 H new ATOM 0 H2'' DA A 12 4.485 -3.675 -3.945 1.00 0.47 H new ATOM 0 H1' DA A 12 4.537 -4.690 -1.847 1.00 0.45 H new ATOM 0 H8 DA A 12 5.811 -1.347 -1.234 1.00 0.42 H new ATOM 0 H61 DA A 12 6.814 -3.011 4.628 1.00 0.64 H new ATOM 0 H62 DA A 12 6.642 -1.660 3.503 1.00 0.64 H new ATOM 0 H2 DA A 12 6.270 -6.737 2.184 1.00 0.65 H new ATOM 389 P DG A 13 6.864 -1.363 -5.886 1.00 0.80 P ATOM 390 OP1 DG A 13 6.807 -1.513 -7.358 1.00 1.26 O ATOM 391 OP2 DG A 13 8.113 -0.901 -5.243 1.00 1.04 O ATOM 392 O5' DG A 13 5.670 -0.367 -5.434 1.00 0.79 O ATOM 393 C5' DG A 13 4.445 -0.298 -6.182 1.00 1.24 C ATOM 394 C4' DG A 13 3.817 1.102 -6.156 1.00 0.79 C ATOM 395 O4' DG A 13 3.495 1.466 -4.803 1.00 0.73 O ATOM 396 C3' DG A 13 4.723 2.210 -6.718 1.00 0.71 C ATOM 397 O3' DG A 13 4.000 3.083 -7.627 1.00 0.62 O ATOM 398 C2' DG A 13 5.169 2.993 -5.487 1.00 0.69 C ATOM 399 C1' DG A 13 4.002 2.781 -4.539 1.00 0.49 C ATOM 400 N9 DG A 13 4.361 2.859 -3.107 1.00 0.50 N ATOM 401 C8 DG A 13 4.700 1.847 -2.252 1.00 0.56 C ATOM 402 N7 DG A 13 4.958 2.245 -1.035 1.00 0.56 N ATOM 403 C5 DG A 13 4.773 3.626 -1.091 1.00 0.49 C ATOM 404 C6 DG A 13 4.908 4.609 -0.072 1.00 0.49 C ATOM 405 O6 DG A 13 5.230 4.451 1.102 1.00 0.54 O ATOM 406 N1 DG A 13 4.625 5.881 -0.550 1.00 0.50 N ATOM 407 C2 DG A 13 4.263 6.174 -1.845 1.00 0.52 C ATOM 408 N2 DG A 13 4.025 7.449 -2.121 1.00 0.62 N ATOM 409 N3 DG A 13 4.140 5.255 -2.801 1.00 0.50 N ATOM 410 C4 DG A 13 4.408 4.008 -2.355 1.00 0.48 C ATOM 0 H5' DG A 13 3.735 -1.019 -5.777 1.00 1.24 H new ATOM 0 H5'' DG A 13 4.637 -0.587 -7.215 1.00 1.24 H new ATOM 0 H4' DG A 13 2.935 1.032 -6.792 1.00 0.79 H new ATOM 0 H3' DG A 13 5.554 1.798 -7.290 1.00 0.71 H new ATOM 0 H2' DG A 13 6.103 2.610 -5.076 1.00 0.69 H new ATOM 0 H2'' DG A 13 5.327 4.048 -5.710 1.00 0.69 H new ATOM 0 H1' DG A 13 3.279 3.578 -4.715 1.00 0.49 H new ATOM 0 H8 DG A 13 4.750 0.812 -2.556 1.00 0.56 H new ATOM 0 H1 DG A 13 4.690 6.657 0.108 1.00 0.50 H new ATOM 0 H21 DG A 13 3.753 7.724 -3.065 1.00 0.62 H new ATOM 0 H22 DG A 13 4.114 8.154 -1.390 1.00 0.62 H new ATOM 422 P DG A 14 2.413 3.403 -7.498 1.00 0.66 P ATOM 423 OP1 DG A 14 2.073 4.470 -8.466 1.00 1.09 O ATOM 424 OP2 DG A 14 2.077 3.583 -6.073 1.00 0.82 O ATOM 425 O5' DG A 14 1.735 2.035 -8.026 1.00 0.86 O ATOM 426 C5' DG A 14 1.870 1.637 -9.400 1.00 0.74 C ATOM 427 C4' DG A 14 1.083 0.360 -9.715 1.00 0.63 C ATOM 428 O4' DG A 14 1.407 -0.645 -8.749 1.00 0.66 O ATOM 429 C3' DG A 14 -0.441 0.535 -9.701 1.00 0.60 C ATOM 430 O3' DG A 14 -1.020 -0.130 -10.840 1.00 0.68 O ATOM 431 C2' DG A 14 -0.884 -0.153 -8.420 1.00 0.58 C ATOM 432 C1' DG A 14 0.199 -1.206 -8.242 1.00 0.60 C ATOM 433 N9 DG A 14 0.450 -1.599 -6.842 1.00 0.59 N ATOM 434 C8 DG A 14 0.656 -2.853 -6.340 1.00 0.63 C ATOM 435 N7 DG A 14 0.911 -2.877 -5.061 1.00 0.60 N ATOM 436 C5 DG A 14 0.870 -1.538 -4.687 1.00 0.52 C ATOM 437 C6 DG A 14 1.069 -0.940 -3.414 1.00 0.49 C ATOM 438 O6 DG A 14 1.327 -1.485 -2.348 1.00 0.53 O ATOM 439 N1 DG A 14 0.935 0.435 -3.471 1.00 0.46 N ATOM 440 C2 DG A 14 0.643 1.152 -4.605 1.00 0.49 C ATOM 441 N2 DG A 14 0.547 2.465 -4.456 1.00 0.55 N ATOM 442 N3 DG A 14 0.456 0.598 -5.804 1.00 0.52 N ATOM 443 C4 DG A 14 0.584 -0.748 -5.771 1.00 0.52 C ATOM 0 H5' DG A 14 2.924 1.477 -9.628 1.00 0.74 H new ATOM 0 H5'' DG A 14 1.523 2.444 -10.046 1.00 0.74 H new ATOM 0 H4' DG A 14 1.372 0.081 -10.728 1.00 0.63 H new ATOM 0 H3' DG A 14 -0.746 1.581 -9.745 1.00 0.60 H new ATOM 0 H2' DG A 14 -0.925 0.538 -7.578 1.00 0.58 H new ATOM 0 H2'' DG A 14 -1.875 -0.597 -8.516 1.00 0.58 H new ATOM 0 H1' DG A 14 -0.136 -2.103 -8.763 1.00 0.60 H new ATOM 0 H8 DG A 14 0.612 -3.745 -6.948 1.00 0.63 H new ATOM 0 H1 DG A 14 1.063 0.957 -2.604 1.00 0.46 H new ATOM 0 H21 DG A 14 0.332 3.055 -5.260 1.00 0.55 H new ATOM 0 H22 DG A 14 0.688 2.886 -3.538 1.00 0.55 H new ATOM 455 P DG A 15 -2.618 -0.115 -11.085 1.00 0.79 P ATOM 456 OP1 DG A 15 -2.874 -0.377 -12.521 1.00 1.00 O ATOM 457 OP2 DG A 15 -3.169 1.102 -10.447 1.00 0.87 O ATOM 458 O5' DG A 15 -3.119 -1.396 -10.237 1.00 0.80 O ATOM 459 C5' DG A 15 -2.746 -2.727 -10.621 1.00 0.77 C ATOM 460 C4' DG A 15 -3.118 -3.760 -9.549 1.00 0.65 C ATOM 461 O4' DG A 15 -2.502 -3.397 -8.304 1.00 0.63 O ATOM 462 C3' DG A 15 -4.627 -3.891 -9.283 1.00 0.59 C ATOM 463 O3' DG A 15 -4.979 -5.288 -9.167 1.00 0.56 O ATOM 464 C2' DG A 15 -4.819 -3.174 -7.967 1.00 0.56 C ATOM 465 C1' DG A 15 -3.495 -3.451 -7.281 1.00 0.52 C ATOM 466 N9 DG A 15 -3.145 -2.468 -6.239 1.00 0.50 N ATOM 467 C8 DG A 15 -3.329 -1.109 -6.246 1.00 0.52 C ATOM 468 N7 DG A 15 -2.945 -0.516 -5.153 1.00 0.49 N ATOM 469 C5 DG A 15 -2.471 -1.555 -4.360 1.00 0.46 C ATOM 470 C6 DG A 15 -1.925 -1.522 -3.054 1.00 0.46 C ATOM 471 O6 DG A 15 -1.747 -0.553 -2.321 1.00 0.51 O ATOM 472 N1 DG A 15 -1.575 -2.786 -2.618 1.00 0.48 N ATOM 473 C2 DG A 15 -1.724 -3.945 -3.338 1.00 0.49 C ATOM 474 N2 DG A 15 -1.329 -5.066 -2.738 1.00 0.54 N ATOM 475 N3 DG A 15 -2.234 -3.985 -4.569 1.00 0.49 N ATOM 476 C4 DG A 15 -2.587 -2.755 -5.016 1.00 0.47 C ATOM 0 H5' DG A 15 -1.672 -2.764 -10.803 1.00 0.77 H new ATOM 0 H5'' DG A 15 -3.238 -2.985 -11.559 1.00 0.77 H new ATOM 0 H4' DG A 15 -2.766 -4.716 -9.937 1.00 0.65 H new ATOM 0 H3' DG A 15 -5.249 -3.476 -10.076 1.00 0.59 H new ATOM 0 H2' DG A 15 -4.996 -2.107 -8.102 1.00 0.56 H new ATOM 0 H2'' DG A 15 -5.664 -3.569 -7.403 1.00 0.56 H new ATOM 0 H1' DG A 15 -3.561 -4.416 -6.778 1.00 0.52 H new ATOM 0 H8 DG A 15 -3.755 -0.578 -7.084 1.00 0.52 H new ATOM 0 H1 DG A 15 -1.173 -2.864 -1.684 1.00 0.48 H new ATOM 0 H21 DG A 15 -1.414 -5.960 -3.221 1.00 0.54 H new ATOM 0 H22 DG A 15 -0.941 -5.030 -1.795 1.00 0.54 H new ATOM 488 P DT A 16 -6.315 -5.774 -8.388 1.00 0.58 P ATOM 489 OP1 DT A 16 -6.614 -7.164 -8.800 1.00 0.77 O ATOM 490 OP2 DT A 16 -7.345 -4.720 -8.536 1.00 0.66 O ATOM 491 O5' DT A 16 -5.817 -5.794 -6.849 1.00 0.64 O ATOM 492 C5' DT A 16 -6.746 -5.749 -5.753 1.00 0.69 C ATOM 493 C4' DT A 16 -6.091 -5.198 -4.485 1.00 0.53 C ATOM 494 O4' DT A 16 -5.695 -3.845 -4.710 1.00 0.49 O ATOM 495 C3' DT A 16 -7.009 -5.214 -3.257 1.00 0.55 C ATOM 496 O3' DT A 16 -6.375 -5.969 -2.209 1.00 0.60 O ATOM 497 C2' DT A 16 -7.118 -3.721 -2.821 1.00 0.58 C ATOM 498 C1' DT A 16 -5.904 -3.098 -3.515 1.00 0.51 C ATOM 499 N1 DT A 16 -6.101 -1.684 -3.914 1.00 0.54 N ATOM 500 C2 DT A 16 -5.519 -0.695 -3.135 1.00 0.69 C ATOM 501 O2 DT A 16 -4.864 -0.948 -2.128 1.00 0.83 O ATOM 502 N3 DT A 16 -5.723 0.605 -3.553 1.00 0.77 N ATOM 503 C4 DT A 16 -6.444 1.000 -4.662 1.00 0.76 C ATOM 504 O4 DT A 16 -6.561 2.190 -4.936 1.00 0.90 O ATOM 505 C5 DT A 16 -7.017 -0.094 -5.414 1.00 0.67 C ATOM 506 C7 DT A 16 -7.845 0.204 -6.663 1.00 0.82 C ATOM 507 C6 DT A 16 -6.833 -1.372 -5.028 1.00 0.54 C ATOM 0 H5' DT A 16 -7.131 -6.750 -5.559 1.00 0.69 H new ATOM 0 H5'' DT A 16 -7.599 -5.127 -6.023 1.00 0.69 H new ATOM 0 H4' DT A 16 -5.244 -5.851 -4.275 1.00 0.53 H new ATOM 0 H3' DT A 16 -7.982 -5.659 -3.465 1.00 0.55 H new ATOM 0 H2' DT A 16 -8.053 -3.267 -3.149 1.00 0.58 H new ATOM 0 H2'' DT A 16 -7.072 -3.608 -1.738 1.00 0.58 H new ATOM 0 H1' DT A 16 -5.070 -3.122 -2.814 1.00 0.51 H new ATOM 0 H3 DT A 16 -5.301 1.343 -2.989 1.00 0.77 H new ATOM 0 H71 DT A 16 -7.750 -0.622 -7.368 1.00 0.82 H new ATOM 0 H72 DT A 16 -8.892 0.325 -6.385 1.00 0.82 H new ATOM 0 H73 DT A 16 -7.485 1.122 -7.128 1.00 0.82 H new ATOM 0 H6 DT A 16 -7.273 -2.168 -5.611 1.00 0.54 H new ATOM 520 P DA A 17 -7.255 -6.720 -1.081 1.00 0.61 P ATOM 521 OP1 DA A 17 -6.537 -7.953 -0.683 1.00 0.73 O ATOM 522 OP2 DA A 17 -8.652 -6.805 -1.566 1.00 0.85 O ATOM 523 O5' DA A 17 -7.210 -5.686 0.159 1.00 0.70 O ATOM 524 C5' DA A 17 -7.956 -5.952 1.355 1.00 0.80 C ATOM 525 C4' DA A 17 -7.966 -4.753 2.307 1.00 0.64 C ATOM 526 O4' DA A 17 -8.392 -3.581 1.602 1.00 0.65 O ATOM 527 C3' DA A 17 -8.924 -4.913 3.482 1.00 0.70 C ATOM 528 O3' DA A 17 -8.479 -4.113 4.587 1.00 0.78 O ATOM 529 C2' DA A 17 -10.223 -4.351 2.930 1.00 0.75 C ATOM 530 C1' DA A 17 -9.711 -3.220 2.045 1.00 0.71 C ATOM 531 N9 DA A 17 -10.535 -2.982 0.846 1.00 0.83 N ATOM 532 C8 DA A 17 -10.536 -3.660 -0.345 1.00 0.96 C ATOM 533 N7 DA A 17 -11.403 -3.208 -1.208 1.00 1.13 N ATOM 534 C5 DA A 17 -12.020 -2.155 -0.539 1.00 1.13 C ATOM 535 C6 DA A 17 -13.037 -1.260 -0.909 1.00 1.34 C ATOM 536 N6 DA A 17 -13.637 -1.287 -2.096 1.00 1.56 N ATOM 537 N1 DA A 17 -13.408 -0.340 -0.005 1.00 1.38 N ATOM 538 C2 DA A 17 -12.808 -0.317 1.179 1.00 1.23 C ATOM 539 N3 DA A 17 -11.846 -1.099 1.643 1.00 1.01 N ATOM 540 C4 DA A 17 -11.496 -2.011 0.712 1.00 0.96 C ATOM 0 H5' DA A 17 -7.527 -6.815 1.864 1.00 0.80 H new ATOM 0 H5'' DA A 17 -8.981 -6.214 1.092 1.00 0.80 H new ATOM 0 H4' DA A 17 -6.947 -4.675 2.687 1.00 0.64 H new ATOM 0 H3' DA A 17 -9.007 -5.938 3.843 1.00 0.70 H new ATOM 0 H2' DA A 17 -10.784 -5.094 2.363 1.00 0.75 H new ATOM 0 H2'' DA A 17 -10.882 -3.989 3.719 1.00 0.75 H new ATOM 0 H1' DA A 17 -9.736 -2.307 2.639 1.00 0.71 H new ATOM 0 H8 DA A 17 -9.879 -4.492 -0.550 1.00 0.96 H new ATOM 0 H61 DA A 17 -14.371 -0.612 -2.312 1.00 1.56 H new ATOM 0 H62 DA A 17 -13.363 -1.983 -2.790 1.00 1.56 H new ATOM 0 H2 DA A 17 -13.153 0.447 1.859 1.00 1.23 H new ATOM 552 P DI A 18 -9.192 -4.219 6.028 1.00 1.16 P ATOM 553 OP1 DI A 18 -10.456 -4.975 5.871 1.00 1.64 O ATOM 554 OP2 DI A 18 -9.217 -2.865 6.629 1.00 1.73 O ATOM 555 O5' DI A 18 -8.163 -5.128 6.869 1.00 1.42 O ATOM 556 C5' DI A 18 -6.862 -4.635 7.213 1.00 1.20 C ATOM 557 C4' DI A 18 -5.752 -5.425 6.520 1.00 0.90 C ATOM 558 O4' DI A 18 -5.859 -5.273 5.098 1.00 0.77 O ATOM 559 C3' DI A 18 -4.333 -4.983 6.912 1.00 0.67 C ATOM 560 O3' DI A 18 -3.608 -6.111 7.433 1.00 0.69 O ATOM 561 C2' DI A 18 -3.705 -4.513 5.603 1.00 0.62 C ATOM 562 C1' DI A 18 -4.537 -5.245 4.574 1.00 0.58 C ATOM 563 N9 DI A 18 -4.558 -4.575 3.259 1.00 0.48 N ATOM 564 C8 DI A 18 -4.647 -3.235 2.979 1.00 0.51 C ATOM 565 N7 DI A 18 -4.554 -2.950 1.712 1.00 0.52 N ATOM 566 C5 DI A 18 -4.398 -4.191 1.102 1.00 0.46 C ATOM 567 C6 DI A 18 -4.243 -4.520 -0.271 1.00 0.50 C ATOM 568 O6 DI A 18 -4.198 -3.767 -1.241 1.00 0.60 O ATOM 569 N1 DI A 18 -4.115 -5.884 -0.446 1.00 0.51 N ATOM 570 C2 DI A 18 -4.136 -6.811 0.571 1.00 0.53 C ATOM 571 N3 DI A 18 -4.277 -6.526 1.851 1.00 0.52 N ATOM 572 C4 DI A 18 -4.402 -5.193 2.045 1.00 0.45 C ATOM 0 H5'' DI A 18 -6.787 -3.584 6.935 1.00 1.20 H new ATOM 0 H2'' DI A 18 -3.769 -3.431 5.485 1.00 0.62 H new ATOM 0 H8 DI A 18 -4.784 -2.476 3.749 1.00 0.51 H new ATOM 0 H5' DI A 18 -6.727 -4.690 8.293 1.00 1.20 H new ATOM 0 H4' DI A 18 -5.891 -6.457 6.841 1.00 0.90 H new ATOM 0 H3' DI A 18 -4.325 -4.206 7.676 1.00 0.67 H new ATOM 0 H2' DI A 18 -2.650 -4.779 5.538 1.00 0.62 H new ATOM 0 H2 DI A 18 -4.028 -7.861 0.298 1.00 0.53 H new ATOM 0 H1' DI A 18 -4.113 -6.235 4.404 1.00 0.58 H new ATOM 0 H1 DI A 18 -3.996 -6.229 -1.398 1.00 0.51 H new ATOM 583 P DG A 19 -2.007 -6.060 7.652 1.00 0.63 P ATOM 584 OP1 DG A 19 -1.672 -6.845 8.863 1.00 0.81 O ATOM 585 OP2 DG A 19 -1.557 -4.651 7.540 1.00 0.70 O ATOM 586 O5' DG A 19 -1.453 -6.872 6.367 1.00 0.75 O ATOM 587 C5' DG A 19 -1.745 -8.269 6.209 1.00 0.86 C ATOM 588 C4' DG A 19 -0.973 -8.904 5.047 1.00 0.74 C ATOM 589 O4' DG A 19 -1.387 -8.320 3.803 1.00 0.62 O ATOM 590 C3' DG A 19 0.553 -8.744 5.133 1.00 0.77 C ATOM 591 O3' DG A 19 1.179 -10.018 4.868 1.00 0.91 O ATOM 592 C2' DG A 19 0.869 -7.756 4.012 1.00 0.65 C ATOM 593 C1' DG A 19 -0.219 -8.114 3.015 1.00 0.51 C ATOM 594 N9 DG A 19 -0.503 -7.060 2.024 1.00 0.42 N ATOM 595 C8 DG A 19 -0.566 -7.159 0.658 1.00 0.44 C ATOM 596 N7 DG A 19 -0.835 -6.030 0.058 1.00 0.44 N ATOM 597 C5 DG A 19 -0.956 -5.119 1.106 1.00 0.39 C ATOM 598 C6 DG A 19 -1.241 -3.728 1.081 1.00 0.40 C ATOM 599 O6 DG A 19 -1.446 -3.010 0.116 1.00 0.49 O ATOM 600 N1 DG A 19 -1.270 -3.189 2.352 1.00 0.35 N ATOM 601 C2 DG A 19 -1.052 -3.894 3.511 1.00 0.32 C ATOM 602 N2 DG A 19 -1.115 -3.205 4.641 1.00 0.32 N ATOM 603 N3 DG A 19 -0.786 -5.196 3.544 1.00 0.35 N ATOM 604 C4 DG A 19 -0.754 -5.743 2.309 1.00 0.37 C ATOM 0 H5' DG A 19 -2.815 -8.396 6.043 1.00 0.86 H new ATOM 0 H5'' DG A 19 -1.501 -8.794 7.133 1.00 0.86 H new ATOM 0 H4' DG A 19 -1.204 -9.968 5.108 1.00 0.74 H new ATOM 0 H3' DG A 19 0.906 -8.404 6.107 1.00 0.77 H new ATOM 0 H2' DG A 19 0.804 -6.719 4.342 1.00 0.65 H new ATOM 0 H2'' DG A 19 1.869 -7.898 3.603 1.00 0.65 H new ATOM 0 H1' DG A 19 0.100 -8.981 2.436 1.00 0.51 H new ATOM 0 H8 DG A 19 -0.408 -8.086 0.126 1.00 0.44 H new ATOM 0 H1 DG A 19 -1.468 -2.192 2.437 1.00 0.35 H new ATOM 0 H21 DG A 19 -0.962 -3.674 5.534 1.00 0.32 H new ATOM 0 H22 DG A 19 -1.317 -2.205 4.618 1.00 0.32 H new ATOM 616 P DG A 20 2.762 -10.147 4.550 1.00 1.06 P ATOM 617 OP1 DG A 20 3.191 -11.524 4.882 1.00 1.35 O ATOM 618 OP2 DG A 20 3.458 -8.994 5.161 1.00 1.19 O ATOM 619 O5' DG A 20 2.816 -9.979 2.948 1.00 0.96 O ATOM 620 C5' DG A 20 2.338 -11.024 2.092 1.00 0.96 C ATOM 621 C4' DG A 20 2.759 -10.799 0.641 1.00 0.76 C ATOM 622 O4' DG A 20 2.254 -9.536 0.192 1.00 0.64 O ATOM 623 C3' DG A 20 4.272 -10.769 0.428 1.00 0.74 C ATOM 624 O3' DG A 20 4.624 -11.254 -0.873 1.00 0.74 O ATOM 625 C2' DG A 20 4.588 -9.290 0.564 1.00 0.68 C ATOM 626 C1' DG A 20 3.362 -8.680 -0.105 1.00 0.52 C ATOM 627 N9 DG A 20 3.019 -7.324 0.364 1.00 0.46 N ATOM 628 C8 DG A 20 3.147 -6.781 1.617 1.00 0.52 C ATOM 629 N7 DG A 20 2.773 -5.538 1.693 1.00 0.53 N ATOM 630 C5 DG A 20 2.366 -5.231 0.403 1.00 0.45 C ATOM 631 C6 DG A 20 1.857 -4.018 -0.124 1.00 0.47 C ATOM 632 O6 DG A 20 1.661 -2.954 0.461 1.00 0.56 O ATOM 633 N1 DG A 20 1.569 -4.136 -1.474 1.00 0.43 N ATOM 634 C2 DG A 20 1.746 -5.276 -2.225 1.00 0.38 C ATOM 635 N2 DG A 20 1.411 -5.197 -3.509 1.00 0.43 N ATOM 636 N3 DG A 20 2.223 -6.416 -1.732 1.00 0.38 N ATOM 637 C4 DG A 20 2.511 -6.319 -0.416 1.00 0.40 C ATOM 0 H5' DG A 20 1.251 -11.076 2.152 1.00 0.96 H new ATOM 0 H5'' DG A 20 2.722 -11.983 2.438 1.00 0.96 H new ATOM 0 H4' DG A 20 2.354 -11.644 0.084 1.00 0.76 H new ATOM 0 H3' DG A 20 4.822 -11.401 1.125 1.00 0.74 H new ATOM 0 H2' DG A 20 4.689 -8.982 1.605 1.00 0.68 H new ATOM 0 H2'' DG A 20 5.515 -9.016 0.060 1.00 0.68 H new ATOM 0 HO3' DG A 20 5.597 -11.222 -0.982 1.00 0.74 H new ATOM 0 H1' DG A 20 3.585 -8.593 -1.168 1.00 0.52 H new ATOM 0 H8 DG A 20 3.524 -7.335 2.464 1.00 0.52 H new ATOM 0 H1 DG A 20 1.197 -3.314 -1.949 1.00 0.43 H new ATOM 0 H21 DG A 20 1.520 -6.010 -4.115 1.00 0.43 H new ATOM 0 H22 DG A 20 1.045 -4.324 -3.888 1.00 0.43 H new TER 650 DG A 20