USER MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 221 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 DA O5' : rot -26:sc=0.000902 USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 4.906 12.914 -4.669 1.00 0.35 O ATOM 2 C5' DA A 1 3.786 13.786 -4.828 1.00 0.31 C ATOM 3 C4' DA A 1 2.493 13.000 -5.036 1.00 0.28 C ATOM 4 O4' DA A 1 2.255 12.157 -3.918 1.00 0.29 O ATOM 5 C3' DA A 1 1.256 13.869 -5.168 1.00 0.31 C ATOM 6 O3' DA A 1 1.056 14.198 -6.547 1.00 0.32 O ATOM 7 C2' DA A 1 0.123 12.973 -4.672 1.00 0.35 C ATOM 8 C1' DA A 1 0.848 11.901 -3.840 1.00 0.35 C ATOM 9 N9 DA A 1 0.480 11.901 -2.411 1.00 0.41 N ATOM 10 C8 DA A 1 -0.766 11.952 -1.843 1.00 0.54 C ATOM 11 N7 DA A 1 -0.754 11.936 -0.539 1.00 0.60 N ATOM 12 C5 DA A 1 0.598 11.869 -0.220 1.00 0.48 C ATOM 13 C6 DA A 1 1.284 11.822 1.005 1.00 0.48 C ATOM 14 N6 DA A 1 0.668 11.837 2.188 1.00 0.60 N ATOM 15 N1 DA A 1 2.626 11.761 0.959 1.00 0.38 N ATOM 16 C2 DA A 1 3.232 11.747 -0.222 1.00 0.32 C ATOM 17 N3 DA A 1 2.703 11.786 -1.434 1.00 0.30 N ATOM 18 C4 DA A 1 1.357 11.848 -1.355 1.00 0.37 C ATOM 0 H5' DA A 1 3.954 14.445 -5.680 1.00 0.31 H new ATOM 0 H5'' DA A 1 3.690 14.421 -3.948 1.00 0.31 H new ATOM 0 H4' DA A 1 2.644 12.451 -5.966 1.00 0.28 H new ATOM 0 H3' DA A 1 1.323 14.805 -4.613 1.00 0.31 H new ATOM 0 H2' DA A 1 -0.595 13.530 -4.070 1.00 0.35 H new ATOM 0 H2'' DA A 1 -0.431 12.531 -5.500 1.00 0.35 H new ATOM 0 HO5' DA A 1 4.601 12.049 -4.323 1.00 0.35 H new ATOM 0 H1' DA A 1 0.559 10.934 -4.252 1.00 0.35 H new ATOM 0 H8 DA A 1 -1.676 12.001 -2.423 1.00 0.54 H new ATOM 0 H61 DA A 1 1.215 11.801 3.048 1.00 0.60 H new ATOM 0 H62 DA A 1 -0.350 11.885 2.232 1.00 0.60 H new ATOM 0 H2 DA A 1 4.310 11.697 -0.189 1.00 0.32 H new ATOM 31 P DI A 2 -0.252 15.006 -7.021 1.00 0.41 P ATOM 32 OP1 DI A 2 0.085 15.754 -8.254 1.00 0.57 O ATOM 33 OP2 DI A 2 -0.804 15.724 -5.850 1.00 0.42 O ATOM 34 O5' DI A 2 -1.268 13.822 -7.412 1.00 0.39 O ATOM 35 C5' DI A 2 -0.841 12.762 -8.272 1.00 0.37 C ATOM 36 C4' DI A 2 -1.989 11.816 -8.609 1.00 0.36 C ATOM 37 O4' DI A 2 -2.614 11.383 -7.402 1.00 0.39 O ATOM 38 C3' DI A 2 -3.077 12.453 -9.483 1.00 0.35 C ATOM 39 O3' DI A 2 -3.163 11.766 -10.739 1.00 0.30 O ATOM 40 C2' DI A 2 -4.383 12.272 -8.707 1.00 0.38 C ATOM 41 C1' DI A 2 -4.015 11.261 -7.630 1.00 0.40 C ATOM 42 N9 DI A 2 -4.695 11.488 -6.343 1.00 0.48 N ATOM 43 C8 DI A 2 -4.221 12.120 -5.223 1.00 0.56 C ATOM 44 N7 DI A 2 -5.075 12.166 -4.238 1.00 0.60 N ATOM 45 C5 DI A 2 -6.198 11.518 -4.740 1.00 0.56 C ATOM 46 C6 DI A 2 -7.451 11.262 -4.120 1.00 0.62 C ATOM 47 O6 DI A 2 -7.820 11.560 -2.987 1.00 0.67 O ATOM 48 N1 DI A 2 -8.304 10.583 -4.976 1.00 0.68 N ATOM 49 C2 DI A 2 -7.984 10.203 -6.262 1.00 0.66 C ATOM 50 N3 DI A 2 -6.824 10.433 -6.852 1.00 0.56 N ATOM 51 C4 DI A 2 -5.975 11.098 -6.029 1.00 0.52 C ATOM 0 H5'' DI A 2 -0.432 13.181 -9.191 1.00 0.37 H new ATOM 0 H2'' DI A 2 -4.728 13.212 -8.275 1.00 0.38 H new ATOM 0 H8 DI A 2 -3.220 12.546 -5.161 1.00 0.56 H new ATOM 0 H5' DI A 2 -0.038 12.204 -7.791 1.00 0.37 H new ATOM 0 H4' DI A 2 -1.545 10.993 -9.168 1.00 0.36 H new ATOM 0 H3' DI A 2 -2.865 13.502 -9.691 1.00 0.35 H new ATOM 0 H2' DI A 2 -5.184 11.903 -9.348 1.00 0.38 H new ATOM 0 H2 DI A 2 -8.745 9.673 -6.835 1.00 0.66 H new ATOM 0 H1' DI A 2 -4.320 10.277 -7.985 1.00 0.40 H new ATOM 0 H1 DI A 2 -9.234 10.348 -4.630 1.00 0.68 H new ATOM 62 P DG A 3 -3.248 10.159 -10.811 1.00 0.28 P ATOM 63 OP1 DG A 3 -3.732 9.778 -12.157 1.00 0.27 O ATOM 64 OP2 DG A 3 -3.961 9.676 -9.607 1.00 0.35 O ATOM 65 O5' DG A 3 -1.703 9.726 -10.690 1.00 0.25 O ATOM 66 C5' DG A 3 -0.717 10.318 -11.541 1.00 0.25 C ATOM 67 C4' DG A 3 0.683 9.816 -11.206 1.00 0.24 C ATOM 68 O4' DG A 3 0.922 9.972 -9.804 1.00 0.28 O ATOM 69 C3' DG A 3 0.901 8.344 -11.533 1.00 0.19 C ATOM 70 O3' DG A 3 2.264 8.130 -11.913 1.00 0.25 O ATOM 71 C2' DG A 3 0.611 7.643 -10.216 1.00 0.15 C ATOM 72 C1' DG A 3 1.079 8.681 -9.203 1.00 0.18 C ATOM 73 N9 DG A 3 0.303 8.675 -7.947 1.00 0.17 N ATOM 74 C8 DG A 3 -1.056 8.723 -7.781 1.00 0.21 C ATOM 75 N7 DG A 3 -1.439 8.681 -6.536 1.00 0.24 N ATOM 76 C5 DG A 3 -0.247 8.600 -5.822 1.00 0.21 C ATOM 77 C6 DG A 3 -0.031 8.527 -4.419 1.00 0.24 C ATOM 78 O6 DG A 3 -0.866 8.515 -3.517 1.00 0.31 O ATOM 79 N1 DG A 3 1.323 8.460 -4.116 1.00 0.22 N ATOM 80 C2 DG A 3 2.343 8.464 -5.045 1.00 0.17 C ATOM 81 N2 DG A 3 3.583 8.396 -4.563 1.00 0.18 N ATOM 82 N3 DG A 3 2.140 8.532 -6.365 1.00 0.15 N ATOM 83 C4 DG A 3 0.825 8.598 -6.678 1.00 0.16 C ATOM 0 H5' DG A 3 -0.750 11.403 -11.438 1.00 0.25 H new ATOM 0 H5'' DG A 3 -0.948 10.089 -12.581 1.00 0.25 H new ATOM 0 H4' DG A 3 1.365 10.408 -11.817 1.00 0.24 H new ATOM 0 H3' DG A 3 0.279 7.986 -12.353 1.00 0.19 H new ATOM 0 H2' DG A 3 -0.447 7.408 -10.102 1.00 0.15 H new ATOM 0 H2'' DG A 3 1.158 6.705 -10.123 1.00 0.15 H new ATOM 0 H1' DG A 3 2.112 8.444 -8.947 1.00 0.18 H new ATOM 0 H8 DG A 3 -1.748 8.790 -8.608 1.00 0.21 H new ATOM 0 H1 DG A 3 1.583 8.404 -3.131 1.00 0.22 H new ATOM 0 H21 DG A 3 4.379 8.395 -5.201 1.00 0.18 H new ATOM 0 H22 DG A 3 3.737 8.345 -3.556 1.00 0.18 H new ATOM 95 P DG A 4 2.796 6.646 -12.242 1.00 0.27 P ATOM 96 OP1 DG A 4 3.314 6.634 -13.629 1.00 0.42 O ATOM 97 OP2 DG A 4 1.752 5.680 -11.838 1.00 0.34 O ATOM 98 O5' DG A 4 4.044 6.489 -11.236 1.00 0.35 O ATOM 99 C5' DG A 4 4.646 5.210 -11.025 1.00 0.35 C ATOM 100 C4' DG A 4 5.625 5.237 -9.855 1.00 0.29 C ATOM 101 O4' DG A 4 4.964 5.743 -8.689 1.00 0.29 O ATOM 102 C3' DG A 4 6.185 3.865 -9.490 1.00 0.29 C ATOM 103 O3' DG A 4 7.536 4.001 -9.033 1.00 0.27 O ATOM 104 C2' DG A 4 5.292 3.420 -8.347 1.00 0.27 C ATOM 105 C1' DG A 4 5.017 4.749 -7.661 1.00 0.27 C ATOM 106 N9 DG A 4 3.739 4.789 -6.931 1.00 0.29 N ATOM 107 C8 DG A 4 2.471 4.905 -7.435 1.00 0.33 C ATOM 108 N7 DG A 4 1.538 4.899 -6.524 1.00 0.35 N ATOM 109 C5 DG A 4 2.240 4.770 -5.328 1.00 0.33 C ATOM 110 C6 DG A 4 1.759 4.704 -3.993 1.00 0.36 C ATOM 111 O6 DG A 4 0.596 4.747 -3.598 1.00 0.40 O ATOM 112 N1 DG A 4 2.800 4.574 -3.083 1.00 0.35 N ATOM 113 C2 DG A 4 4.137 4.515 -3.414 1.00 0.32 C ATOM 114 N2 DG A 4 4.992 4.388 -2.399 1.00 0.32 N ATOM 115 N3 DG A 4 4.591 4.576 -4.669 1.00 0.28 N ATOM 116 C4 DG A 4 3.589 4.703 -5.570 1.00 0.30 C ATOM 0 H5' DG A 4 5.168 4.899 -11.930 1.00 0.35 H new ATOM 0 H5'' DG A 4 3.870 4.469 -10.834 1.00 0.35 H new ATOM 0 H4' DG A 4 6.452 5.870 -10.177 1.00 0.29 H new ATOM 0 H3' DG A 4 6.198 3.164 -10.324 1.00 0.29 H new ATOM 0 H2' DG A 4 4.379 2.941 -8.699 1.00 0.27 H new ATOM 0 H2'' DG A 4 5.790 2.710 -7.687 1.00 0.27 H new ATOM 0 H1' DG A 4 5.806 4.915 -6.927 1.00 0.27 H new ATOM 0 H8 DG A 4 2.263 4.993 -8.491 1.00 0.33 H new ATOM 0 H1 DG A 4 2.557 4.518 -2.094 1.00 0.35 H new ATOM 0 H21 DG A 4 5.995 4.339 -2.580 1.00 0.32 H new ATOM 0 H22 DG A 4 4.643 4.340 -1.442 1.00 0.32 H new ATOM 128 P DG A 5 8.444 2.698 -8.755 1.00 0.28 P ATOM 129 OP1 DG A 5 9.489 2.628 -9.800 1.00 0.38 O ATOM 130 OP2 DG A 5 7.542 1.546 -8.535 1.00 0.33 O ATOM 131 O5' DG A 5 9.155 3.055 -7.353 1.00 0.21 O ATOM 132 C5' DG A 5 8.379 3.126 -6.155 1.00 0.18 C ATOM 133 C4' DG A 5 9.067 2.423 -4.989 1.00 0.19 C ATOM 134 O4' DG A 5 8.128 2.233 -3.930 1.00 0.20 O ATOM 135 C3' DG A 5 9.606 1.044 -5.330 1.00 0.22 C ATOM 136 O3' DG A 5 10.694 0.721 -4.458 1.00 0.26 O ATOM 137 C2' DG A 5 8.424 0.126 -5.049 1.00 0.22 C ATOM 138 C1' DG A 5 7.699 0.862 -3.916 1.00 0.21 C ATOM 139 N9 DG A 5 6.226 0.852 -4.042 1.00 0.19 N ATOM 140 C8 DG A 5 5.456 0.992 -5.170 1.00 0.20 C ATOM 141 N7 DG A 5 4.173 0.941 -4.944 1.00 0.19 N ATOM 142 C5 DG A 5 4.080 0.752 -3.570 1.00 0.18 C ATOM 143 C6 DG A 5 2.929 0.621 -2.746 1.00 0.19 C ATOM 144 O6 DG A 5 1.747 0.648 -3.078 1.00 0.19 O ATOM 145 N1 DG A 5 3.273 0.444 -1.413 1.00 0.20 N ATOM 146 C2 DG A 5 4.565 0.399 -0.929 1.00 0.22 C ATOM 147 N2 DG A 5 4.699 0.220 0.385 1.00 0.26 N ATOM 148 N3 DG A 5 5.650 0.523 -1.704 1.00 0.21 N ATOM 149 C4 DG A 5 5.332 0.696 -3.007 1.00 0.19 C ATOM 0 H5' DG A 5 7.403 2.673 -6.327 1.00 0.18 H new ATOM 0 H5'' DG A 5 8.204 4.171 -5.897 1.00 0.18 H new ATOM 0 H4' DG A 5 9.903 3.066 -4.715 1.00 0.19 H new ATOM 0 H3' DG A 5 9.978 0.965 -6.351 1.00 0.22 H new ATOM 0 H2' DG A 5 7.788 0.002 -5.926 1.00 0.22 H new ATOM 0 H2'' DG A 5 8.746 -0.870 -4.746 1.00 0.22 H new ATOM 0 H1' DG A 5 7.949 0.343 -2.991 1.00 0.21 H new ATOM 0 H8 DG A 5 5.875 1.132 -6.155 1.00 0.20 H new ATOM 0 H1 DG A 5 2.514 0.339 -0.740 1.00 0.20 H new ATOM 0 H21 DG A 5 5.629 0.178 0.802 1.00 0.26 H new ATOM 0 H22 DG A 5 3.871 0.125 0.974 1.00 0.26 H new ATOM 161 P DA A 6 12.190 1.217 -4.796 1.00 0.24 P ATOM 162 OP1 DA A 6 12.383 1.137 -6.261 1.00 0.30 O ATOM 163 OP2 DA A 6 13.125 0.515 -3.889 1.00 0.28 O ATOM 164 O5' DA A 6 12.157 2.772 -4.378 1.00 0.20 O ATOM 165 C5' DA A 6 12.133 3.153 -2.999 1.00 0.21 C ATOM 166 C4' DA A 6 12.474 4.631 -2.818 1.00 0.20 C ATOM 167 O4' DA A 6 13.800 4.879 -3.293 1.00 0.21 O ATOM 168 C3' DA A 6 11.536 5.581 -3.569 1.00 0.17 C ATOM 169 O3' DA A 6 10.987 6.533 -2.651 1.00 0.18 O ATOM 170 C2' DA A 6 12.429 6.293 -4.584 1.00 0.17 C ATOM 171 C1' DA A 6 13.805 6.137 -3.961 1.00 0.20 C ATOM 172 N9 DA A 6 14.913 6.125 -4.934 1.00 0.22 N ATOM 173 C8 DA A 6 14.976 5.516 -6.161 1.00 0.21 C ATOM 174 N7 DA A 6 16.109 5.695 -6.782 1.00 0.25 N ATOM 175 C5 DA A 6 16.849 6.480 -5.903 1.00 0.33 C ATOM 176 C6 DA A 6 18.145 7.018 -5.972 1.00 0.44 C ATOM 177 N6 DA A 6 18.958 6.836 -7.014 1.00 0.45 N ATOM 178 N1 DA A 6 18.566 7.748 -4.925 1.00 0.57 N ATOM 179 C2 DA A 6 17.753 7.925 -3.891 1.00 0.58 C ATOM 180 N3 DA A 6 16.522 7.475 -3.709 1.00 0.47 N ATOM 181 C4 DA A 6 16.128 6.746 -4.775 1.00 0.33 C ATOM 0 H5' DA A 6 12.844 2.544 -2.440 1.00 0.21 H new ATOM 0 H5'' DA A 6 11.146 2.953 -2.583 1.00 0.21 H new ATOM 0 H4' DA A 6 12.370 4.828 -1.751 1.00 0.20 H new ATOM 0 H3' DA A 6 10.706 5.060 -4.046 1.00 0.17 H new ATOM 0 H2' DA A 6 12.373 5.832 -5.570 1.00 0.17 H new ATOM 0 H2'' DA A 6 12.153 7.340 -4.706 1.00 0.17 H new ATOM 0 H1' DA A 6 13.977 6.993 -3.308 1.00 0.20 H new ATOM 0 H8 DA A 6 14.162 4.940 -6.576 1.00 0.21 H new ATOM 0 H61 DA A 6 19.890 7.250 -7.012 1.00 0.45 H new ATOM 0 H62 DA A 6 18.647 6.283 -7.813 1.00 0.45 H new ATOM 0 H2 DA A 6 18.153 8.521 -3.084 1.00 0.58 H new ATOM 193 P DG A 7 11.875 7.758 -2.099 1.00 0.23 P ATOM 194 OP1 DG A 7 11.731 8.894 -3.037 1.00 0.36 O ATOM 195 OP2 DG A 7 13.221 7.244 -1.763 1.00 0.29 O ATOM 196 O5' DG A 7 11.124 8.139 -0.727 1.00 0.22 O ATOM 197 C5' DG A 7 9.781 8.627 -0.747 1.00 0.20 C ATOM 198 C4' DG A 7 9.009 8.186 0.493 1.00 0.14 C ATOM 199 O4' DG A 7 7.656 8.650 0.403 1.00 0.14 O ATOM 200 C3' DG A 7 8.960 6.668 0.675 1.00 0.17 C ATOM 201 O3' DG A 7 9.240 6.342 2.042 1.00 0.23 O ATOM 202 C2' DG A 7 7.524 6.297 0.332 1.00 0.19 C ATOM 203 C1' DG A 7 6.782 7.567 0.712 1.00 0.14 C ATOM 204 N9 DG A 7 5.526 7.775 -0.034 1.00 0.15 N ATOM 205 C8 DG A 7 5.356 8.009 -1.374 1.00 0.21 C ATOM 206 N7 DG A 7 4.111 8.151 -1.732 1.00 0.25 N ATOM 207 C5 DG A 7 3.401 8.003 -0.546 1.00 0.20 C ATOM 208 C6 DG A 7 1.999 8.057 -0.314 1.00 0.23 C ATOM 209 O6 DG A 7 1.099 8.248 -1.130 1.00 0.30 O ATOM 210 N1 DG A 7 1.697 7.855 1.027 1.00 0.18 N ATOM 211 C2 DG A 7 2.627 7.627 2.021 1.00 0.15 C ATOM 212 N2 DG A 7 2.146 7.453 3.252 1.00 0.17 N ATOM 213 N3 DG A 7 3.945 7.576 1.804 1.00 0.12 N ATOM 214 C4 DG A 7 4.258 7.772 0.500 1.00 0.14 C ATOM 0 H5' DG A 7 9.274 8.264 -1.641 1.00 0.20 H new ATOM 0 H5'' DG A 7 9.789 9.715 -0.804 1.00 0.20 H new ATOM 0 H4' DG A 7 9.538 8.613 1.345 1.00 0.14 H new ATOM 0 H3' DG A 7 9.686 6.140 0.057 1.00 0.17 H new ATOM 0 H2' DG A 7 7.405 6.053 -0.724 1.00 0.19 H new ATOM 0 H2'' DG A 7 7.177 5.434 0.900 1.00 0.19 H new ATOM 0 H1' DG A 7 6.511 7.497 1.765 1.00 0.14 H new ATOM 0 H8 DG A 7 6.179 8.070 -2.070 1.00 0.21 H new ATOM 0 H1 DG A 7 0.714 7.877 1.297 1.00 0.18 H new ATOM 0 H21 DG A 7 2.784 7.281 4.029 1.00 0.17 H new ATOM 0 H22 DG A 7 1.140 7.492 3.417 1.00 0.17 H new ATOM 226 P DG A 8 9.568 4.824 2.474 1.00 0.40 P ATOM 227 OP1 DG A 8 11.012 4.729 2.788 1.00 0.63 O ATOM 228 OP2 DG A 8 8.971 3.918 1.468 1.00 0.58 O ATOM 229 O5' DG A 8 8.741 4.668 3.845 1.00 0.27 O ATOM 230 C5' DG A 8 7.339 4.934 3.862 1.00 0.24 C ATOM 231 C4' DG A 8 6.600 4.057 4.867 1.00 0.22 C ATOM 232 O4' DG A 8 5.202 4.103 4.587 1.00 0.19 O ATOM 233 C3' DG A 8 6.985 2.588 4.815 1.00 0.21 C ATOM 234 O3' DG A 8 6.677 1.970 6.072 1.00 0.23 O ATOM 235 C2' DG A 8 6.082 2.041 3.722 1.00 0.18 C ATOM 236 C1' DG A 8 4.834 2.922 3.857 1.00 0.14 C ATOM 237 N9 DG A 8 4.249 3.350 2.566 1.00 0.11 N ATOM 238 C8 DG A 8 4.879 3.676 1.389 1.00 0.12 C ATOM 239 N7 DG A 8 4.063 4.002 0.426 1.00 0.17 N ATOM 240 C5 DG A 8 2.802 3.887 1.000 1.00 0.19 C ATOM 241 C6 DG A 8 1.519 4.115 0.432 1.00 0.27 C ATOM 242 O6 DG A 8 1.243 4.468 -0.712 1.00 0.31 O ATOM 243 N1 DG A 8 0.507 3.884 1.352 1.00 0.30 N ATOM 244 C2 DG A 8 0.699 3.486 2.656 1.00 0.28 C ATOM 245 N2 DG A 8 -0.401 3.315 3.389 1.00 0.35 N ATOM 246 N3 DG A 8 1.904 3.270 3.193 1.00 0.21 N ATOM 247 C4 DG A 8 2.906 3.490 2.309 1.00 0.16 C ATOM 0 H5' DG A 8 6.927 4.769 2.866 1.00 0.24 H new ATOM 0 H5'' DG A 8 7.173 5.983 4.106 1.00 0.24 H new ATOM 0 H4' DG A 8 6.867 4.453 5.847 1.00 0.22 H new ATOM 0 H3' DG A 8 8.044 2.413 4.624 1.00 0.21 H new ATOM 0 H2' DG A 8 6.538 2.130 2.736 1.00 0.18 H new ATOM 0 H2'' DG A 8 5.853 0.986 3.874 1.00 0.18 H new ATOM 0 H1' DG A 8 4.078 2.321 4.363 1.00 0.14 H new ATOM 0 H8 DG A 8 5.953 3.663 1.272 1.00 0.12 H new ATOM 0 H1 DG A 8 -0.454 4.019 1.038 1.00 0.30 H new ATOM 0 H21 DG A 8 -0.324 3.021 4.363 1.00 0.35 H new ATOM 0 H22 DG A 8 -1.319 3.478 2.976 1.00 0.35 H new ATOM 259 P DG A 9 6.879 0.386 6.298 1.00 0.28 P ATOM 260 OP1 DG A 9 7.936 0.191 7.316 1.00 0.34 O ATOM 261 OP2 DG A 9 7.005 -0.263 4.974 1.00 0.30 O ATOM 262 O5' DG A 9 5.472 -0.053 6.946 1.00 0.28 O ATOM 263 C5' DG A 9 4.244 0.316 6.315 1.00 0.30 C ATOM 264 C4' DG A 9 3.036 -0.329 6.989 1.00 0.34 C ATOM 265 O4' DG A 9 1.871 -0.099 6.201 1.00 0.36 O ATOM 266 C3' DG A 9 3.149 -1.833 7.169 1.00 0.37 C ATOM 267 O3' DG A 9 2.415 -2.229 8.333 1.00 0.45 O ATOM 268 C2' DG A 9 2.493 -2.408 5.920 1.00 0.36 C ATOM 269 C1' DG A 9 1.539 -1.294 5.477 1.00 0.35 C ATOM 270 N9 DG A 9 1.612 -0.978 4.034 1.00 0.31 N ATOM 271 C8 DG A 9 2.711 -0.943 3.212 1.00 0.30 C ATOM 272 N7 DG A 9 2.442 -0.618 1.981 1.00 0.27 N ATOM 273 C5 DG A 9 1.067 -0.425 1.977 1.00 0.25 C ATOM 274 C6 DG A 9 0.207 -0.057 0.908 1.00 0.25 C ATOM 275 O6 DG A 9 0.504 0.177 -0.262 1.00 0.25 O ATOM 276 N1 DG A 9 -1.115 0.029 1.326 1.00 0.27 N ATOM 277 C2 DG A 9 -1.555 -0.208 2.611 1.00 0.29 C ATOM 278 N2 DG A 9 -2.866 -0.078 2.819 1.00 0.33 N ATOM 279 N3 DG A 9 -0.746 -0.553 3.619 1.00 0.30 N ATOM 280 C4 DG A 9 0.547 -0.642 3.228 1.00 0.28 C ATOM 0 H5' DG A 9 4.273 0.022 5.266 1.00 0.30 H new ATOM 0 H5'' DG A 9 4.136 1.400 6.339 1.00 0.30 H new ATOM 0 H4' DG A 9 2.981 0.129 7.977 1.00 0.34 H new ATOM 0 H3' DG A 9 4.177 -2.173 7.296 1.00 0.37 H new ATOM 0 H2' DG A 9 3.228 -2.638 5.149 1.00 0.36 H new ATOM 0 H2'' DG A 9 1.958 -3.333 6.136 1.00 0.36 H new ATOM 0 H1' DG A 9 0.529 -1.650 5.681 1.00 0.35 H new ATOM 0 H8 DG A 9 3.710 -1.165 3.556 1.00 0.30 H new ATOM 0 H1 DG A 9 -1.814 0.287 0.629 1.00 0.27 H new ATOM 0 H21 DG A 9 -3.253 -0.240 3.749 1.00 0.33 H new ATOM 0 H22 DG A 9 -3.481 0.183 2.049 1.00 0.33 H new ATOM 292 P DI A 10 3.190 -2.617 9.691 1.00 0.42 P ATOM 293 OP1 DI A 10 4.082 -3.764 9.404 1.00 0.60 O ATOM 294 OP2 DI A 10 2.194 -2.712 10.782 1.00 0.45 O ATOM 295 O5' DI A 10 4.107 -1.320 9.958 1.00 0.37 O ATOM 296 C5' DI A 10 3.775 -0.390 10.992 1.00 0.31 C ATOM 297 C4' DI A 10 4.346 0.996 10.700 1.00 0.29 C ATOM 298 O4' DI A 10 3.741 1.516 9.512 1.00 0.29 O ATOM 299 C3' DI A 10 4.109 2.017 11.818 1.00 0.28 C ATOM 300 O3' DI A 10 5.337 2.693 12.110 1.00 0.32 O ATOM 301 C2' DI A 10 3.099 2.997 11.234 1.00 0.28 C ATOM 302 C1' DI A 10 3.375 2.873 9.743 1.00 0.28 C ATOM 303 N9 DI A 10 2.217 3.175 8.880 1.00 0.26 N ATOM 304 C8 DI A 10 0.891 2.885 9.084 1.00 0.26 C ATOM 305 N7 DI A 10 0.111 3.261 8.112 1.00 0.27 N ATOM 306 C5 DI A 10 0.976 3.844 7.194 1.00 0.26 C ATOM 307 C6 DI A 10 0.697 4.434 5.934 1.00 0.27 C ATOM 308 O6 DI A 10 -0.387 4.550 5.370 1.00 0.28 O ATOM 309 N1 DI A 10 1.852 4.904 5.332 1.00 0.25 N ATOM 310 C2 DI A 10 3.112 4.812 5.879 1.00 0.25 C ATOM 311 N3 DI A 10 3.391 4.264 7.050 1.00 0.26 N ATOM 312 C4 DI A 10 2.269 3.799 7.656 1.00 0.25 C ATOM 0 H5'' DI A 10 2.691 -0.325 11.091 1.00 0.31 H new ATOM 0 H2'' DI A 10 2.073 2.726 11.484 1.00 0.28 H new ATOM 0 H8 DI A 10 0.524 2.384 9.980 1.00 0.26 H new ATOM 0 H5' DI A 10 4.161 -0.751 11.945 1.00 0.31 H new ATOM 0 H4' DI A 10 5.422 0.858 10.598 1.00 0.29 H new ATOM 0 H3' DI A 10 3.754 1.561 12.742 1.00 0.28 H new ATOM 0 H2' DI A 10 3.257 4.013 11.596 1.00 0.28 H new ATOM 0 H2 DI A 10 3.942 5.222 5.304 1.00 0.25 H new ATOM 0 H1' DI A 10 4.148 3.599 9.489 1.00 0.28 H new ATOM 0 H1 DI A 10 1.763 5.350 4.419 1.00 0.25 H new ATOM 323 P DC A 11 5.347 4.265 12.462 1.00 0.28 P ATOM 324 OP1 DC A 11 6.675 4.606 13.021 1.00 0.37 O ATOM 325 OP2 DC A 11 4.121 4.577 13.230 1.00 0.34 O ATOM 326 O5' DC A 11 5.223 4.945 11.008 1.00 0.22 O ATOM 327 C5' DC A 11 6.354 4.988 10.134 1.00 0.27 C ATOM 328 C4' DC A 11 7.352 6.056 10.565 1.00 0.20 C ATOM 329 O4' DC A 11 8.533 5.966 9.763 1.00 0.26 O ATOM 330 C3' DC A 11 6.819 7.487 10.432 1.00 0.20 C ATOM 331 O3' DC A 11 6.952 8.163 11.686 1.00 0.23 O ATOM 332 C2' DC A 11 7.722 8.145 9.390 1.00 0.27 C ATOM 333 C1' DC A 11 8.974 7.288 9.471 1.00 0.23 C ATOM 334 N1 DC A 11 9.755 7.236 8.221 1.00 0.34 N ATOM 335 C2 DC A 11 11.077 7.649 8.276 1.00 0.65 C ATOM 336 O2 DC A 11 11.554 8.045 9.337 1.00 0.85 O ATOM 337 N3 DC A 11 11.816 7.604 7.134 1.00 0.76 N ATOM 338 C4 DC A 11 11.280 7.170 5.985 1.00 0.58 C ATOM 339 N4 DC A 11 12.031 7.138 4.884 1.00 0.72 N ATOM 340 C5 DC A 11 9.916 6.743 5.923 1.00 0.34 C ATOM 341 C6 DC A 11 9.193 6.793 7.059 1.00 0.26 C ATOM 0 H5' DC A 11 6.021 5.189 9.116 1.00 0.27 H new ATOM 0 H5'' DC A 11 6.844 4.014 10.123 1.00 0.27 H new ATOM 0 H4' DC A 11 7.553 5.864 11.619 1.00 0.20 H new ATOM 0 H3' DC A 11 5.768 7.518 10.146 1.00 0.20 H new ATOM 0 H2' DC A 11 7.278 8.126 8.395 1.00 0.27 H new ATOM 0 H2'' DC A 11 7.926 9.189 9.628 1.00 0.27 H new ATOM 0 H1' DC A 11 9.630 7.722 10.226 1.00 0.23 H new ATOM 0 H41 DC A 11 11.633 6.809 4.004 1.00 0.72 H new ATOM 0 H42 DC A 11 13.004 7.442 4.921 1.00 0.72 H new ATOM 0 H5 DC A 11 9.481 6.393 4.998 1.00 0.34 H new ATOM 0 H6 DC A 11 8.159 6.480 7.050 1.00 0.26 H new ATOM 353 P DT A 12 6.340 9.639 11.884 1.00 0.31 P ATOM 354 OP1 DT A 12 6.959 10.536 10.883 1.00 0.39 O ATOM 355 OP2 DT A 12 6.409 9.979 13.323 1.00 0.43 O ATOM 356 O5' DT A 12 4.793 9.431 11.488 1.00 0.27 O ATOM 357 C5' DT A 12 3.752 9.814 12.391 1.00 0.21 C ATOM 358 C4' DT A 12 2.371 9.614 11.770 1.00 0.20 C ATOM 359 O4' DT A 12 2.289 10.343 10.538 1.00 0.17 O ATOM 360 C3' DT A 12 2.037 8.149 11.446 1.00 0.22 C ATOM 361 O3' DT A 12 0.733 7.824 11.953 1.00 0.26 O ATOM 362 C2' DT A 12 2.010 8.106 9.924 1.00 0.19 C ATOM 363 C1' DT A 12 1.584 9.527 9.615 1.00 0.18 C ATOM 364 N1 DT A 12 1.881 9.989 8.243 1.00 0.17 N ATOM 365 C2 DT A 12 0.835 10.535 7.520 1.00 0.21 C ATOM 366 O2 DT A 12 -0.294 10.650 7.992 1.00 0.24 O ATOM 367 N3 DT A 12 1.133 10.942 6.233 1.00 0.23 N ATOM 368 C4 DT A 12 2.367 10.853 5.617 1.00 0.21 C ATOM 369 O4 DT A 12 2.521 11.247 4.463 1.00 0.25 O ATOM 370 C5 DT A 12 3.397 10.273 6.448 1.00 0.18 C ATOM 371 C7 DT A 12 4.803 10.104 5.885 1.00 0.19 C ATOM 372 C6 DT A 12 3.131 9.869 7.708 1.00 0.16 C ATOM 0 H5' DT A 12 3.878 10.860 12.671 1.00 0.21 H new ATOM 0 H5'' DT A 12 3.829 9.227 13.306 1.00 0.21 H new ATOM 0 H4' DT A 12 1.661 9.968 12.518 1.00 0.20 H new ATOM 0 H3' DT A 12 2.748 7.448 11.883 1.00 0.22 H new ATOM 0 H2' DT A 12 2.984 7.863 9.499 1.00 0.19 H new ATOM 0 H2'' DT A 12 1.303 7.369 9.543 1.00 0.19 H new ATOM 0 H1' DT A 12 0.499 9.583 9.697 1.00 0.18 H new ATOM 0 H3 DT A 12 0.372 11.345 5.687 1.00 0.23 H new ATOM 0 H71 DT A 12 5.530 10.177 6.694 1.00 0.19 H new ATOM 0 H72 DT A 12 4.889 9.128 5.407 1.00 0.19 H new ATOM 0 H73 DT A 12 4.997 10.886 5.151 1.00 0.19 H new ATOM 0 H6 DT A 12 3.923 9.442 8.305 1.00 0.16 H new ATOM 385 P DG A 13 0.139 6.333 11.789 1.00 0.29 P ATOM 386 OP1 DG A 13 -0.219 5.830 13.135 1.00 0.37 O ATOM 387 OP2 DG A 13 1.068 5.557 10.938 1.00 0.31 O ATOM 388 O5' DG A 13 -1.226 6.566 10.959 1.00 0.27 O ATOM 389 C5' DG A 13 -1.185 6.961 9.585 1.00 0.22 C ATOM 390 C4' DG A 13 -2.552 6.859 8.913 1.00 0.17 C ATOM 391 O4' DG A 13 -2.497 7.507 7.639 1.00 0.16 O ATOM 392 C3' DG A 13 -3.022 5.422 8.685 1.00 0.17 C ATOM 393 O3' DG A 13 -4.362 5.276 9.169 1.00 0.19 O ATOM 394 C2' DG A 13 -2.991 5.234 7.170 1.00 0.17 C ATOM 395 C1' DG A 13 -3.087 6.664 6.653 1.00 0.15 C ATOM 396 N9 DG A 13 -2.359 6.895 5.388 1.00 0.15 N ATOM 397 C8 DG A 13 -1.007 6.980 5.185 1.00 0.16 C ATOM 398 N7 DG A 13 -0.667 7.199 3.948 1.00 0.16 N ATOM 399 C5 DG A 13 -1.881 7.265 3.275 1.00 0.14 C ATOM 400 C6 DG A 13 -2.141 7.485 1.897 1.00 0.14 C ATOM 401 O6 DG A 13 -1.331 7.669 0.989 1.00 0.16 O ATOM 402 N1 DG A 13 -3.504 7.478 1.630 1.00 0.12 N ATOM 403 C2 DG A 13 -4.494 7.283 2.574 1.00 0.12 C ATOM 404 N2 DG A 13 -5.749 7.309 2.131 1.00 0.14 N ATOM 405 N3 DG A 13 -4.248 7.075 3.872 1.00 0.14 N ATOM 406 C4 DG A 13 -2.925 7.080 4.148 1.00 0.14 C ATOM 0 H5' DG A 13 -0.472 6.334 9.050 1.00 0.22 H new ATOM 0 H5'' DG A 13 -0.823 7.987 9.515 1.00 0.22 H new ATOM 0 H4' DG A 13 -3.261 7.334 9.591 1.00 0.17 H new ATOM 0 H3' DG A 13 -2.400 4.691 9.202 1.00 0.17 H new ATOM 0 H2' DG A 13 -2.074 4.745 6.841 1.00 0.17 H new ATOM 0 H2'' DG A 13 -3.822 4.621 6.821 1.00 0.17 H new ATOM 0 H1' DG A 13 -4.140 6.871 6.463 1.00 0.15 H new ATOM 0 H8 DG A 13 -0.286 6.874 5.982 1.00 0.16 H new ATOM 0 H1 DG A 13 -3.796 7.628 0.664 1.00 0.12 H new ATOM 0 H21 DG A 13 -6.522 7.171 2.782 1.00 0.14 H new ATOM 0 H22 DG A 13 -5.937 7.467 1.141 1.00 0.14 H new ATOM 418 P DG A 14 -5.017 3.813 9.324 1.00 0.17 P ATOM 419 OP1 DG A 14 -5.695 3.741 10.637 1.00 0.21 O ATOM 420 OP2 DG A 14 -3.992 2.807 8.967 1.00 0.24 O ATOM 421 O5' DG A 14 -6.143 3.810 8.175 1.00 0.28 O ATOM 422 C5' DG A 14 -6.623 2.576 7.636 1.00 0.26 C ATOM 423 C4' DG A 14 -7.391 2.797 6.337 1.00 0.21 C ATOM 424 O4' DG A 14 -6.599 3.589 5.450 1.00 0.20 O ATOM 425 C3' DG A 14 -7.747 1.499 5.606 1.00 0.24 C ATOM 426 O3' DG A 14 -9.131 1.515 5.243 1.00 0.27 O ATOM 427 C2' DG A 14 -6.882 1.517 4.351 1.00 0.24 C ATOM 428 C1' DG A 14 -6.642 3.005 4.152 1.00 0.19 C ATOM 429 N9 DG A 14 -5.368 3.322 3.480 1.00 0.21 N ATOM 430 C8 DG A 14 -4.107 3.377 4.015 1.00 0.22 C ATOM 431 N7 DG A 14 -3.178 3.673 3.149 1.00 0.25 N ATOM 432 C5 DG A 14 -3.873 3.828 1.953 1.00 0.26 C ATOM 433 C6 DG A 14 -3.390 4.155 0.657 1.00 0.30 C ATOM 434 O6 DG A 14 -2.233 4.373 0.307 1.00 0.34 O ATOM 435 N1 DG A 14 -4.422 4.212 -0.271 1.00 0.32 N ATOM 436 C2 DG A 14 -5.752 3.985 0.011 1.00 0.31 C ATOM 437 N2 DG A 14 -6.599 4.087 -1.014 1.00 0.35 N ATOM 438 N3 DG A 14 -6.208 3.676 1.228 1.00 0.27 N ATOM 439 C4 DG A 14 -5.215 3.616 2.147 1.00 0.24 C ATOM 0 H5' DG A 14 -7.270 2.086 8.364 1.00 0.26 H new ATOM 0 H5'' DG A 14 -5.783 1.906 7.454 1.00 0.26 H new ATOM 0 H4' DG A 14 -8.322 3.291 6.615 1.00 0.21 H new ATOM 0 H3' DG A 14 -7.577 0.612 6.217 1.00 0.24 H new ATOM 0 H2' DG A 14 -5.950 0.969 4.490 1.00 0.24 H new ATOM 0 H2'' DG A 14 -7.391 1.068 3.498 1.00 0.24 H new ATOM 0 H1' DG A 14 -7.440 3.388 3.516 1.00 0.19 H new ATOM 0 H8 DG A 14 -3.902 3.192 5.059 1.00 0.22 H new ATOM 0 H1 DG A 14 -4.177 4.439 -1.235 1.00 0.32 H new ATOM 0 H21 DG A 14 -7.596 3.930 -0.869 1.00 0.35 H new ATOM 0 H22 DG A 14 -6.249 4.322 -1.943 1.00 0.35 H new ATOM 451 P DG A 15 -9.818 0.207 4.603 1.00 0.30 P ATOM 452 OP1 DG A 15 -11.273 0.269 4.866 1.00 0.36 O ATOM 453 OP2 DG A 15 -9.041 -0.978 5.029 1.00 0.34 O ATOM 454 O5' DG A 15 -9.582 0.421 3.024 1.00 0.29 O ATOM 455 C5' DG A 15 -10.366 1.368 2.295 1.00 0.29 C ATOM 456 C4' DG A 15 -10.155 1.230 0.790 1.00 0.30 C ATOM 457 O4' DG A 15 -8.781 1.477 0.473 1.00 0.32 O ATOM 458 C3' DG A 15 -10.504 -0.157 0.240 1.00 0.29 C ATOM 459 O3' DG A 15 -11.336 -0.016 -0.915 1.00 0.37 O ATOM 460 C2' DG A 15 -9.160 -0.755 -0.162 1.00 0.27 C ATOM 461 C1' DG A 15 -8.357 0.494 -0.467 1.00 0.30 C ATOM 462 N9 DG A 15 -6.898 0.332 -0.326 1.00 0.29 N ATOM 463 C8 DG A 15 -6.170 0.035 0.797 1.00 0.29 C ATOM 464 N7 DG A 15 -4.884 -0.022 0.594 1.00 0.30 N ATOM 465 C5 DG A 15 -4.745 0.256 -0.762 1.00 0.31 C ATOM 466 C6 DG A 15 -3.571 0.334 -1.561 1.00 0.34 C ATOM 467 O6 DG A 15 -2.403 0.171 -1.217 1.00 0.37 O ATOM 468 N1 DG A 15 -3.874 0.637 -2.882 1.00 0.36 N ATOM 469 C2 DG A 15 -5.146 0.841 -3.375 1.00 0.37 C ATOM 470 N2 DG A 15 -5.238 1.122 -4.674 1.00 0.41 N ATOM 471 N3 DG A 15 -6.250 0.768 -2.625 1.00 0.35 N ATOM 472 C4 DG A 15 -5.974 0.474 -1.334 1.00 0.31 C ATOM 0 H5' DG A 15 -10.103 2.378 2.609 1.00 0.29 H new ATOM 0 H5'' DG A 15 -11.421 1.226 2.530 1.00 0.29 H new ATOM 0 H4' DG A 15 -10.826 1.956 0.331 1.00 0.30 H new ATOM 0 H3' DG A 15 -11.038 -0.776 0.961 1.00 0.29 H new ATOM 0 H2' DG A 15 -8.716 -1.343 0.641 1.00 0.27 H new ATOM 0 H2'' DG A 15 -9.245 -1.411 -1.029 1.00 0.27 H new ATOM 0 H1' DG A 15 -8.534 0.760 -1.509 1.00 0.30 H new ATOM 0 H8 DG A 15 -6.622 -0.136 1.763 1.00 0.29 H new ATOM 0 H1 DG A 15 -3.097 0.715 -3.538 1.00 0.36 H new ATOM 0 H21 DG A 15 -6.152 1.283 -5.097 1.00 0.41 H new ATOM 0 H22 DG A 15 -4.395 1.176 -5.245 1.00 0.41 H new ATOM 484 P DA A 16 -12.933 0.125 -0.764 1.00 0.37 P ATOM 485 OP1 DA A 16 -13.373 -0.764 0.333 1.00 0.51 O ATOM 486 OP2 DA A 16 -13.539 -0.008 -2.108 1.00 0.57 O ATOM 487 O5' DA A 16 -13.115 1.649 -0.279 1.00 0.27 O ATOM 488 C5' DA A 16 -14.266 2.033 0.478 1.00 0.38 C ATOM 489 C4' DA A 16 -14.423 3.550 0.547 1.00 0.33 C ATOM 490 O4' DA A 16 -15.560 3.871 1.355 1.00 0.54 O ATOM 491 C3' DA A 16 -13.214 4.273 1.145 1.00 0.36 C ATOM 492 O3' DA A 16 -12.814 5.334 0.269 1.00 0.36 O ATOM 493 C2' DA A 16 -13.718 4.849 2.465 1.00 0.59 C ATOM 494 C1' DA A 16 -15.215 4.947 2.223 1.00 0.60 C ATOM 495 N9 DA A 16 -16.033 4.817 3.444 1.00 0.87 N ATOM 496 C8 DA A 16 -15.893 3.931 4.481 1.00 1.04 C ATOM 497 N7 DA A 16 -16.788 4.072 5.419 1.00 1.28 N ATOM 498 C5 DA A 16 -17.577 5.126 4.971 1.00 1.25 C ATOM 499 C6 DA A 16 -18.702 5.768 5.515 1.00 1.44 C ATOM 500 N6 DA A 16 -19.249 5.421 6.681 1.00 1.70 N ATOM 501 N1 DA A 16 -19.238 6.778 4.809 1.00 1.36 N ATOM 502 C2 DA A 16 -18.690 7.118 3.648 1.00 1.12 C ATOM 503 N3 DA A 16 -17.638 6.596 3.036 1.00 0.93 N ATOM 504 C4 DA A 16 -17.123 5.586 3.768 1.00 1.01 C ATOM 0 H5' DA A 16 -14.187 1.630 1.488 1.00 0.38 H new ATOM 0 H5'' DA A 16 -15.158 1.596 0.029 1.00 0.38 H new ATOM 0 H4' DA A 16 -14.535 3.886 -0.484 1.00 0.33 H new ATOM 0 H3' DA A 16 -12.356 3.615 1.285 1.00 0.36 H new ATOM 0 H2' DA A 16 -13.484 4.199 3.308 1.00 0.59 H new ATOM 0 H2'' DA A 16 -13.276 5.822 2.680 1.00 0.59 H new ATOM 0 H1' DA A 16 -15.420 5.935 1.812 1.00 0.60 H new ATOM 0 H8 DA A 16 -15.113 3.185 4.518 1.00 1.04 H new ATOM 0 H61 DA A 16 -20.066 5.921 7.030 1.00 1.70 H new ATOM 0 H62 DA A 16 -18.850 4.655 7.224 1.00 1.70 H new ATOM 0 H2 DA A 16 -19.170 7.935 3.130 1.00 1.12 H new ATOM 516 P DG A 17 -13.785 6.589 -0.008 1.00 0.30 P ATOM 517 OP1 DG A 17 -13.686 7.513 1.144 1.00 0.32 O ATOM 518 OP2 DG A 17 -15.107 6.072 -0.428 1.00 0.35 O ATOM 519 O5' DG A 17 -13.092 7.293 -1.279 1.00 0.28 O ATOM 520 C5' DG A 17 -11.788 7.861 -1.161 1.00 0.28 C ATOM 521 C4' DG A 17 -11.130 8.058 -2.523 1.00 0.21 C ATOM 522 O4' DG A 17 -9.805 8.566 -2.342 1.00 0.19 O ATOM 523 C3' DG A 17 -11.023 6.772 -3.345 1.00 0.13 C ATOM 524 O3' DG A 17 -11.469 7.023 -4.681 1.00 0.17 O ATOM 525 C2' DG A 17 -9.536 6.435 -3.344 1.00 0.14 C ATOM 526 C1' DG A 17 -8.894 7.796 -3.126 1.00 0.17 C ATOM 527 N9 DG A 17 -7.617 7.743 -2.391 1.00 0.17 N ATOM 528 C8 DG A 17 -7.411 7.518 -1.054 1.00 0.21 C ATOM 529 N7 DG A 17 -6.159 7.536 -0.701 1.00 0.22 N ATOM 530 C5 DG A 17 -5.479 7.791 -1.885 1.00 0.18 C ATOM 531 C6 DG A 17 -4.085 7.923 -2.118 1.00 0.18 C ATOM 532 O6 DG A 17 -3.167 7.840 -1.305 1.00 0.22 O ATOM 533 N1 DG A 17 -3.816 8.178 -3.456 1.00 0.17 N ATOM 534 C2 DG A 17 -4.768 8.292 -4.448 1.00 0.17 C ATOM 535 N2 DG A 17 -4.314 8.539 -5.677 1.00 0.21 N ATOM 536 N3 DG A 17 -6.082 8.170 -4.229 1.00 0.16 N ATOM 537 C4 DG A 17 -6.363 7.920 -2.928 1.00 0.16 C ATOM 0 H5' DG A 17 -11.164 7.213 -0.546 1.00 0.28 H new ATOM 0 H5'' DG A 17 -11.855 8.820 -0.647 1.00 0.28 H new ATOM 0 H4' DG A 17 -11.769 8.753 -3.068 1.00 0.21 H new ATOM 0 H3' DG A 17 -11.629 5.961 -2.941 1.00 0.13 H new ATOM 0 H2' DG A 17 -9.279 5.733 -2.551 1.00 0.14 H new ATOM 0 H2'' DG A 17 -9.221 5.983 -4.285 1.00 0.14 H new ATOM 0 H1' DG A 17 -8.683 8.221 -4.107 1.00 0.17 H new ATOM 0 H8 DG A 17 -8.216 7.342 -0.356 1.00 0.21 H new ATOM 0 H1 DG A 17 -2.839 8.290 -3.727 1.00 0.17 H new ATOM 0 H21 DG A 17 -4.969 8.634 -6.453 1.00 0.21 H new ATOM 0 H22 DG A 17 -3.312 8.633 -5.841 1.00 0.21 H new ATOM 549 P DG A 18 -11.721 5.800 -5.698 1.00 0.17 P ATOM 550 OP1 DG A 18 -12.880 6.137 -6.555 1.00 0.24 O ATOM 551 OP2 DG A 18 -11.723 4.544 -4.917 1.00 0.24 O ATOM 552 O5' DG A 18 -10.397 5.822 -6.611 1.00 0.24 O ATOM 553 C5' DG A 18 -9.978 4.642 -7.298 1.00 0.29 C ATOM 554 C4' DG A 18 -8.703 4.878 -8.101 1.00 0.32 C ATOM 555 O4' DG A 18 -7.695 5.433 -7.247 1.00 0.33 O ATOM 556 C3' DG A 18 -8.125 3.604 -8.714 1.00 0.37 C ATOM 557 O3' DG A 18 -7.614 3.883 -10.022 1.00 0.41 O ATOM 558 C2' DG A 18 -6.987 3.237 -7.780 1.00 0.38 C ATOM 559 C1' DG A 18 -6.529 4.609 -7.312 1.00 0.36 C ATOM 560 N9 DG A 18 -5.905 4.610 -5.977 1.00 0.34 N ATOM 561 C8 DG A 18 -6.507 4.524 -4.749 1.00 0.31 C ATOM 562 N7 DG A 18 -5.671 4.540 -3.748 1.00 0.31 N ATOM 563 C5 DG A 18 -4.423 4.646 -4.356 1.00 0.34 C ATOM 564 C6 DG A 18 -3.129 4.709 -3.773 1.00 0.35 C ATOM 565 O6 DG A 18 -2.826 4.680 -2.582 1.00 0.35 O ATOM 566 N1 DG A 18 -2.139 4.812 -4.741 1.00 0.40 N ATOM 567 C2 DG A 18 -2.363 4.850 -6.101 1.00 0.43 C ATOM 568 N2 DG A 18 -1.283 4.953 -6.875 1.00 0.51 N ATOM 569 N3 DG A 18 -3.580 4.792 -6.651 1.00 0.42 N ATOM 570 C4 DG A 18 -4.557 4.690 -5.721 1.00 0.36 C ATOM 0 H5' DG A 18 -10.772 4.309 -7.966 1.00 0.29 H new ATOM 0 H5'' DG A 18 -9.811 3.841 -6.577 1.00 0.29 H new ATOM 0 H4' DG A 18 -8.979 5.553 -8.911 1.00 0.32 H new ATOM 0 H3' DG A 18 -8.862 2.808 -8.819 1.00 0.37 H new ATOM 0 H2' DG A 18 -7.320 2.611 -6.952 1.00 0.38 H new ATOM 0 H2'' DG A 18 -6.194 2.692 -8.293 1.00 0.38 H new ATOM 0 H1' DG A 18 -5.773 4.963 -8.013 1.00 0.36 H new ATOM 0 H8 DG A 18 -7.577 4.450 -4.622 1.00 0.31 H new ATOM 0 H1 DG A 18 -1.172 4.864 -4.422 1.00 0.40 H new ATOM 0 H21 DG A 18 -1.384 4.986 -7.889 1.00 0.51 H new ATOM 0 H22 DG A 18 -0.356 4.999 -6.453 1.00 0.51 H new ATOM 582 P DG A 19 -7.164 2.680 -10.993 1.00 0.44 P ATOM 583 OP1 DG A 19 -7.484 3.061 -12.386 1.00 0.56 O ATOM 584 OP2 DG A 19 -7.695 1.416 -10.435 1.00 0.47 O ATOM 585 O5' DG A 19 -5.562 2.666 -10.829 1.00 0.38 O ATOM 586 C5' DG A 19 -4.747 3.577 -11.573 1.00 0.39 C ATOM 587 C4' DG A 19 -3.279 3.158 -11.561 1.00 0.28 C ATOM 588 O4' DG A 19 -2.788 3.163 -10.215 1.00 0.32 O ATOM 589 C3' DG A 19 -3.031 1.757 -12.129 1.00 0.21 C ATOM 590 O3' DG A 19 -1.906 1.797 -13.017 1.00 0.18 O ATOM 591 C2' DG A 19 -2.698 0.914 -10.907 1.00 0.21 C ATOM 592 C1' DG A 19 -2.074 1.949 -9.991 1.00 0.22 C ATOM 593 N9 DG A 19 -2.172 1.627 -8.556 1.00 0.27 N ATOM 594 C8 DG A 19 -3.296 1.407 -7.805 1.00 0.32 C ATOM 595 N7 DG A 19 -3.054 1.151 -6.551 1.00 0.35 N ATOM 596 C5 DG A 19 -1.667 1.202 -6.461 1.00 0.32 C ATOM 597 C6 DG A 19 -0.821 1.004 -5.337 1.00 0.35 C ATOM 598 O6 DG A 19 -1.141 0.743 -4.179 1.00 0.39 O ATOM 599 N1 DG A 19 0.518 1.145 -5.677 1.00 0.32 N ATOM 600 C2 DG A 19 0.987 1.440 -6.941 1.00 0.28 C ATOM 601 N2 DG A 19 2.309 1.533 -7.074 1.00 0.28 N ATOM 602 N3 DG A 19 0.192 1.626 -7.999 1.00 0.25 N ATOM 603 C4 DG A 19 -1.118 1.493 -7.684 1.00 0.27 C ATOM 0 H5' DG A 19 -4.843 4.578 -11.153 1.00 0.39 H new ATOM 0 H5'' DG A 19 -5.103 3.627 -12.602 1.00 0.39 H new ATOM 0 H4' DG A 19 -2.762 3.878 -12.195 1.00 0.28 H new ATOM 0 H3' DG A 19 -3.880 1.365 -12.689 1.00 0.21 H new ATOM 0 H2' DG A 19 -3.586 0.459 -10.468 1.00 0.21 H new ATOM 0 H2'' DG A 19 -2.008 0.104 -11.142 1.00 0.21 H new ATOM 0 H1' DG A 19 -1.010 2.003 -10.222 1.00 0.22 H new ATOM 0 H8 DG A 19 -4.294 1.443 -8.216 1.00 0.32 H new ATOM 0 H1 DG A 19 1.208 1.021 -4.936 1.00 0.32 H new ATOM 0 H21 DG A 19 2.716 1.749 -7.984 1.00 0.28 H new ATOM 0 H22 DG A 19 2.914 1.388 -6.266 1.00 0.28 H new ATOM 615 P DC A 20 -1.306 0.442 -13.651 1.00 0.20 P ATOM 616 OP1 DC A 20 -0.604 0.789 -14.906 1.00 0.24 O ATOM 617 OP2 DC A 20 -2.379 -0.578 -13.665 1.00 0.27 O ATOM 618 O5' DC A 20 -0.204 -0.001 -12.562 1.00 0.27 O ATOM 619 C5' DC A 20 0.897 0.861 -12.260 1.00 0.33 C ATOM 620 C4' DC A 20 1.899 0.196 -11.318 1.00 0.42 C ATOM 621 O4' DC A 20 1.222 -0.270 -10.145 1.00 0.30 O ATOM 622 C3' DC A 20 2.632 -1.006 -11.931 1.00 0.65 C ATOM 623 O3' DC A 20 4.051 -0.869 -11.791 1.00 0.84 O ATOM 624 C2' DC A 20 2.115 -2.201 -11.135 1.00 0.66 C ATOM 625 C1' DC A 20 1.751 -1.550 -9.814 1.00 0.45 C ATOM 626 N1 DC A 20 0.735 -2.276 -9.021 1.00 0.47 N ATOM 627 C2 DC A 20 1.046 -2.559 -7.700 1.00 0.55 C ATOM 628 O2 DC A 20 2.130 -2.210 -7.236 1.00 0.57 O ATOM 629 N3 DC A 20 0.129 -3.225 -6.947 1.00 0.68 N ATOM 630 C4 DC A 20 -1.047 -3.599 -7.466 1.00 0.72 C ATOM 631 N4 DC A 20 -1.923 -4.249 -6.701 1.00 0.89 N ATOM 632 C5 DC A 20 -1.375 -3.309 -8.828 1.00 0.64 C ATOM 633 C6 DC A 20 -0.461 -2.651 -9.566 1.00 0.51 C ATOM 0 H5' DC A 20 0.525 1.779 -11.805 1.00 0.33 H new ATOM 0 H5'' DC A 20 1.400 1.144 -13.184 1.00 0.33 H new ATOM 0 H4' DC A 20 2.641 0.962 -11.094 1.00 0.42 H new ATOM 0 H3' DC A 20 2.449 -1.106 -13.001 1.00 0.65 H new ATOM 0 H2' DC A 20 1.254 -2.670 -11.612 1.00 0.66 H new ATOM 0 H2'' DC A 20 2.874 -2.974 -11.016 1.00 0.66 H new ATOM 0 HO3' DC A 20 4.495 -1.647 -12.187 1.00 0.84 H new ATOM 0 H1' DC A 20 2.647 -1.527 -9.193 1.00 0.45 H new ATOM 0 H41 DC A 20 -2.822 -4.538 -7.087 1.00 0.89 H new ATOM 0 H42 DC A 20 -1.695 -4.458 -5.729 1.00 0.89 H new ATOM 0 H5 DC A 20 -2.323 -3.608 -9.250 1.00 0.64 H new ATOM 0 H6 DC A 20 -0.675 -2.417 -10.598 1.00 0.51 H new TER 646 DC A 20