USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 160 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -31:sc=0.000154 USER MOD Single : A 7 DT C7 :methyl 150:sc= -6.49! (180deg=-6.49!) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -31:sc= 0.00173 USER MOD Single : B 7 DT C7 :methyl 150:sc= -5.97! (180deg=-5.97!) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.241 -0.437 1.913 1.00 0.87 O ATOM 2 C5' DG A 1 -8.155 0.986 2.001 1.00 0.71 C ATOM 3 C4' DG A 1 -6.668 1.416 2.246 1.00 0.45 C ATOM 4 O4' DG A 1 -5.935 1.029 1.064 1.00 0.52 O ATOM 5 C3' DG A 1 -6.264 2.888 2.490 1.00 0.40 C ATOM 6 O3' DG A 1 -6.001 3.265 3.866 1.00 0.53 O ATOM 7 C2' DG A 1 -5.069 3.150 1.525 1.00 0.35 C ATOM 8 C1' DG A 1 -4.710 1.774 0.929 1.00 0.36 C ATOM 9 N9 DG A 1 -4.474 1.736 -0.551 1.00 0.31 N ATOM 10 C8 DG A 1 -3.556 1.017 -1.291 1.00 0.28 C ATOM 11 N7 DG A 1 -3.644 1.207 -2.582 1.00 0.31 N ATOM 12 C5 DG A 1 -4.687 2.108 -2.718 1.00 0.35 C ATOM 13 C6 DG A 1 -5.242 2.684 -3.888 1.00 0.46 C ATOM 14 O6 DG A 1 -4.908 2.500 -5.053 1.00 0.52 O ATOM 15 N1 DG A 1 -6.281 3.548 -3.595 1.00 0.58 N ATOM 16 C2 DG A 1 -6.736 3.825 -2.331 1.00 0.62 C ATOM 17 N2 DG A 1 -7.743 4.678 -2.228 1.00 0.81 N ATOM 18 N3 DG A 1 -6.218 3.286 -1.233 1.00 0.54 N ATOM 19 C4 DG A 1 -5.199 2.438 -1.494 1.00 0.38 C ATOM 0 H5' DG A 1 -8.786 1.348 2.813 1.00 0.71 H new ATOM 0 H5'' DG A 1 -8.527 1.439 1.082 1.00 0.71 H new ATOM 0 H4' DG A 1 -6.458 0.937 3.202 1.00 0.45 H new ATOM 0 H3' DG A 1 -7.114 3.537 2.278 1.00 0.40 H new ATOM 0 H2' DG A 1 -5.345 3.857 0.742 1.00 0.35 H new ATOM 0 H2'' DG A 1 -4.221 3.580 2.058 1.00 0.35 H new ATOM 0 HO5' DG A 1 -7.412 -0.792 1.529 1.00 0.87 H new ATOM 0 H1' DG A 1 -3.802 1.431 1.426 1.00 0.36 H new ATOM 0 H8 DG A 1 -2.829 0.356 -0.843 1.00 0.28 H new ATOM 0 H1 DG A 1 -6.743 4.014 -4.376 1.00 0.58 H new ATOM 0 H21 DG A 1 -8.117 4.917 -1.310 1.00 0.81 H new ATOM 0 H22 DG A 1 -8.145 5.097 -3.067 1.00 0.81 H new ATOM 32 P DG A 2 -4.817 2.691 4.822 1.00 0.69 P ATOM 33 OP1 DG A 2 -4.567 1.273 4.472 1.00 1.00 O ATOM 34 OP2 DG A 2 -5.142 3.046 6.222 1.00 1.16 O ATOM 35 O5' DG A 2 -3.556 3.587 4.334 1.00 0.45 O ATOM 36 C5' DG A 2 -2.197 3.104 4.363 1.00 0.37 C ATOM 37 C4' DG A 2 -1.244 3.851 3.320 1.00 0.37 C ATOM 38 O4' DG A 2 -1.775 3.787 1.964 1.00 0.36 O ATOM 39 C3' DG A 2 -0.960 5.384 3.518 1.00 0.45 C ATOM 40 O3' DG A 2 0.246 6.059 3.091 1.00 0.46 O ATOM 41 C2' DG A 2 -1.947 5.979 2.542 1.00 0.42 C ATOM 42 C1' DG A 2 -1.593 5.077 1.348 1.00 0.37 C ATOM 43 N9 DG A 2 -2.491 5.322 0.190 1.00 0.37 N ATOM 44 C8 DG A 2 -3.741 5.914 0.182 1.00 0.44 C ATOM 45 N7 DG A 2 -4.291 5.976 -0.980 1.00 0.47 N ATOM 46 C5 DG A 2 -3.364 5.398 -1.825 1.00 0.42 C ATOM 47 C6 DG A 2 -3.444 5.202 -3.219 1.00 0.46 C ATOM 48 O6 DG A 2 -4.326 5.517 -4.017 1.00 0.54 O ATOM 49 N1 DG A 2 -2.313 4.595 -3.677 1.00 0.42 N ATOM 50 C2 DG A 2 -1.234 4.215 -2.937 1.00 0.36 C ATOM 51 N2 DG A 2 -0.253 3.685 -3.647 1.00 0.36 N ATOM 52 N3 DG A 2 -1.130 4.384 -1.624 1.00 0.33 N ATOM 53 C4 DG A 2 -2.246 4.989 -1.130 1.00 0.36 C ATOM 0 H5' DG A 2 -2.193 2.035 4.149 1.00 0.37 H new ATOM 0 H5'' DG A 2 -1.795 3.229 5.368 1.00 0.37 H new ATOM 0 H4' DG A 2 -0.320 3.301 3.500 1.00 0.37 H new ATOM 0 H3' DG A 2 -0.959 5.501 4.602 1.00 0.45 H new ATOM 0 H2' DG A 2 -2.984 5.879 2.864 1.00 0.42 H new ATOM 0 H2'' DG A 2 -1.774 7.037 2.347 1.00 0.42 H new ATOM 0 H1' DG A 2 -0.605 5.225 0.912 1.00 0.37 H new ATOM 0 H8 DG A 2 -4.215 6.292 1.075 1.00 0.44 H new ATOM 0 H1 DG A 2 -2.270 4.405 -4.678 1.00 0.42 H new ATOM 0 H21 DG A 2 0.599 3.369 -3.184 1.00 0.36 H new ATOM 0 H22 DG A 2 -0.348 3.592 -4.658 1.00 0.36 H new ATOM 65 P DA A 3 0.641 7.528 3.683 1.00 0.46 P ATOM 66 OP1 DA A 3 -0.257 7.843 4.819 1.00 0.67 O ATOM 67 OP2 DA A 3 0.763 8.460 2.536 1.00 0.61 O ATOM 68 O5' DA A 3 2.114 7.166 4.239 1.00 0.51 O ATOM 69 C5' DA A 3 2.310 5.937 4.964 1.00 0.55 C ATOM 70 C4' DA A 3 3.422 5.034 4.296 1.00 0.47 C ATOM 71 O4' DA A 3 3.044 4.747 2.927 1.00 0.44 O ATOM 72 C3' DA A 3 4.900 5.511 4.175 1.00 0.49 C ATOM 73 O3' DA A 3 5.922 4.501 4.005 1.00 0.53 O ATOM 74 C2' DA A 3 4.856 6.209 2.830 1.00 0.49 C ATOM 75 C1' DA A 3 4.089 5.161 2.026 1.00 0.38 C ATOM 76 N9 DA A 3 3.502 5.795 0.834 1.00 0.35 N ATOM 77 C8 DA A 3 2.387 6.568 0.734 1.00 0.38 C ATOM 78 N7 DA A 3 2.149 7.021 -0.465 1.00 0.38 N ATOM 79 C5 DA A 3 3.195 6.501 -1.212 1.00 0.35 C ATOM 80 C6 DA A 3 3.541 6.601 -2.560 1.00 0.38 C ATOM 81 N6 DA A 3 2.840 7.288 -3.445 1.00 0.43 N ATOM 82 N1 DA A 3 4.639 5.961 -2.961 1.00 0.41 N ATOM 83 C2 DA A 3 5.344 5.267 -2.083 1.00 0.41 C ATOM 84 N3 DA A 3 5.127 5.097 -0.792 1.00 0.38 N ATOM 85 C4 DA A 3 4.018 5.753 -0.422 1.00 0.34 C ATOM 0 H5' DA A 3 1.371 5.386 5.006 1.00 0.55 H new ATOM 0 H5'' DA A 3 2.594 6.162 5.992 1.00 0.55 H new ATOM 0 H4' DA A 3 3.441 4.217 5.017 1.00 0.47 H new ATOM 0 H3' DA A 3 5.167 6.046 5.087 1.00 0.49 H new ATOM 0 H2' DA A 3 4.337 7.167 2.872 1.00 0.49 H new ATOM 0 H2'' DA A 3 5.850 6.402 2.426 1.00 0.49 H new ATOM 0 H1' DA A 3 4.710 4.333 1.684 1.00 0.38 H new ATOM 0 H8 DA A 3 1.751 6.788 1.579 1.00 0.38 H new ATOM 0 H61 DA A 3 3.143 7.325 -4.418 1.00 0.43 H new ATOM 0 H62 DA A 3 1.996 7.782 -3.155 1.00 0.43 H new ATOM 0 H2 DA A 3 6.218 4.771 -2.477 1.00 0.41 H new ATOM 97 P DG A 4 6.912 3.967 5.171 1.00 0.48 P ATOM 98 OP1 DG A 4 7.242 5.126 6.035 1.00 0.60 O ATOM 99 OP2 DG A 4 8.003 3.199 4.525 1.00 0.72 O ATOM 100 O5' DG A 4 5.953 2.928 5.992 1.00 0.50 O ATOM 101 C5' DG A 4 5.302 3.269 7.236 1.00 0.40 C ATOM 102 C4' DG A 4 4.199 2.309 7.749 1.00 0.42 C ATOM 103 O4' DG A 4 3.035 2.227 6.890 1.00 0.41 O ATOM 104 C3' DG A 4 4.547 0.865 8.106 1.00 0.46 C ATOM 105 O3' DG A 4 3.835 0.340 9.255 1.00 0.54 O ATOM 106 C2' DG A 4 4.116 0.235 6.784 1.00 0.41 C ATOM 107 C1' DG A 4 2.714 0.846 6.633 1.00 0.38 C ATOM 108 N9 DG A 4 2.134 0.763 5.265 1.00 0.35 N ATOM 109 C8 DG A 4 2.671 1.235 4.094 1.00 0.36 C ATOM 110 N7 DG A 4 1.940 1.030 3.038 1.00 0.36 N ATOM 111 C5 DG A 4 0.828 0.368 3.544 1.00 0.31 C ATOM 112 C6 DG A 4 -0.310 -0.112 2.859 1.00 0.32 C ATOM 113 O6 DG A 4 -0.562 -0.048 1.661 1.00 0.36 O ATOM 114 N1 DG A 4 -1.193 -0.713 3.716 1.00 0.33 N ATOM 115 C2 DG A 4 -1.024 -0.845 5.062 1.00 0.38 C ATOM 116 N2 DG A 4 -2.010 -1.457 5.694 1.00 0.49 N ATOM 117 N3 DG A 4 0.034 -0.410 5.739 1.00 0.39 N ATOM 118 C4 DG A 4 0.929 0.194 4.907 1.00 0.33 C ATOM 0 H5' DG A 4 4.862 4.260 7.125 1.00 0.40 H new ATOM 0 H5'' DG A 4 6.068 3.345 8.008 1.00 0.40 H new ATOM 0 H4' DG A 4 4.014 2.829 8.689 1.00 0.42 H new ATOM 0 H3' DG A 4 5.575 0.690 8.422 1.00 0.46 H new ATOM 0 H2' DG A 4 4.777 0.504 5.960 1.00 0.41 H new ATOM 0 H2'' DG A 4 4.092 -0.854 6.831 1.00 0.41 H new ATOM 0 H1' DG A 4 1.980 0.348 7.266 1.00 0.38 H new ATOM 0 H8 DG A 4 3.626 1.737 4.052 1.00 0.36 H new ATOM 0 H1 DG A 4 -2.049 -1.094 3.313 1.00 0.33 H new ATOM 0 H21 DG A 4 -1.960 -1.596 6.703 1.00 0.49 H new ATOM 0 H22 DG A 4 -2.821 -1.791 5.172 1.00 0.49 H new ATOM 130 P DG A 5 4.462 -0.859 10.149 1.00 0.62 P ATOM 131 OP1 DG A 5 3.732 -0.957 11.437 1.00 0.80 O ATOM 132 OP2 DG A 5 5.935 -0.707 10.143 1.00 0.78 O ATOM 133 O5' DG A 5 4.057 -2.127 9.215 1.00 0.53 O ATOM 134 C5' DG A 5 2.670 -2.504 9.023 1.00 0.49 C ATOM 135 C4' DG A 5 2.395 -3.446 7.787 1.00 0.45 C ATOM 136 O4' DG A 5 2.618 -2.813 6.483 1.00 0.42 O ATOM 137 C3' DG A 5 3.147 -4.796 7.672 1.00 0.50 C ATOM 138 O3' DG A 5 2.409 -5.941 7.140 1.00 0.53 O ATOM 139 C2' DG A 5 4.227 -4.387 6.677 1.00 0.53 C ATOM 140 C1' DG A 5 3.361 -3.704 5.611 1.00 0.42 C ATOM 141 N9 DG A 5 4.152 -3.040 4.519 1.00 0.39 N ATOM 142 C8 DG A 5 5.476 -2.662 4.537 1.00 0.44 C ATOM 143 N7 DG A 5 5.903 -2.115 3.443 1.00 0.42 N ATOM 144 C5 DG A 5 4.800 -2.120 2.606 1.00 0.36 C ATOM 145 C6 DG A 5 4.678 -1.647 1.263 1.00 0.37 C ATOM 146 O6 DG A 5 5.516 -1.129 0.534 1.00 0.44 O ATOM 147 N1 DG A 5 3.406 -1.843 0.791 1.00 0.34 N ATOM 148 C2 DG A 5 2.398 -2.412 1.509 1.00 0.31 C ATOM 149 N2 DG A 5 1.271 -2.527 0.865 1.00 0.35 N ATOM 150 N3 DG A 5 2.472 -2.863 2.755 1.00 0.31 N ATOM 151 C4 DG A 5 3.716 -2.684 3.249 1.00 0.33 C ATOM 0 H5' DG A 5 2.076 -1.597 8.908 1.00 0.49 H new ATOM 0 H5'' DG A 5 2.317 -3.003 9.926 1.00 0.49 H new ATOM 0 H4' DG A 5 1.349 -3.649 8.019 1.00 0.45 H new ATOM 0 H3' DG A 5 3.440 -5.168 8.654 1.00 0.50 H new ATOM 0 H2' DG A 5 4.961 -3.710 7.114 1.00 0.53 H new ATOM 0 H2'' DG A 5 4.776 -5.242 6.283 1.00 0.53 H new ATOM 0 H1' DG A 5 2.740 -4.359 5.000 1.00 0.42 H new ATOM 0 H8 DG A 5 6.111 -2.810 5.398 1.00 0.44 H new ATOM 0 H1 DG A 5 3.201 -1.543 -0.162 1.00 0.34 H new ATOM 0 H21 DG A 5 0.461 -2.942 1.325 1.00 0.35 H new ATOM 0 H22 DG A 5 1.199 -2.202 -0.099 1.00 0.35 H new ATOM 163 P DA A 6 1.467 -6.867 8.091 1.00 0.62 P ATOM 164 OP1 DA A 6 2.254 -7.179 9.304 1.00 0.72 O ATOM 165 OP2 DA A 6 0.883 -7.965 7.289 1.00 0.76 O ATOM 166 O5' DA A 6 0.329 -5.815 8.493 1.00 0.63 O ATOM 167 C5' DA A 6 -0.878 -6.103 9.205 1.00 0.69 C ATOM 168 C4' DA A 6 -1.991 -6.757 8.317 1.00 0.65 C ATOM 169 O4' DA A 6 -2.005 -6.177 6.985 1.00 0.52 O ATOM 170 C3' DA A 6 -1.887 -8.240 7.999 1.00 0.65 C ATOM 171 O3' DA A 6 -2.292 -9.093 9.074 1.00 0.83 O ATOM 172 C2' DA A 6 -2.847 -8.383 6.819 1.00 0.57 C ATOM 173 C1' DA A 6 -2.444 -7.148 6.003 1.00 0.47 C ATOM 174 N9 DA A 6 -1.497 -7.338 4.857 1.00 0.36 N ATOM 175 C8 DA A 6 -0.176 -6.996 4.758 1.00 0.34 C ATOM 176 N7 DA A 6 0.370 -7.290 3.606 1.00 0.31 N ATOM 177 C5 DA A 6 -0.660 -7.869 2.878 1.00 0.30 C ATOM 178 C6 DA A 6 -0.736 -8.401 1.571 1.00 0.32 C ATOM 179 N6 DA A 6 0.271 -8.448 0.697 1.00 0.32 N ATOM 180 N1 DA A 6 -1.917 -8.888 1.184 1.00 0.40 N ATOM 181 C2 DA A 6 -2.949 -8.856 2.015 1.00 0.44 C ATOM 182 N3 DA A 6 -3.000 -8.388 3.257 1.00 0.43 N ATOM 183 C4 DA A 6 -1.801 -7.902 3.631 1.00 0.35 C ATOM 0 H5' DA A 6 -1.265 -5.179 9.636 1.00 0.69 H new ATOM 0 H5'' DA A 6 -0.649 -6.771 10.036 1.00 0.69 H new ATOM 0 H4' DA A 6 -2.861 -6.577 8.949 1.00 0.65 H new ATOM 0 H3' DA A 6 -0.858 -8.540 7.801 1.00 0.65 H new ATOM 0 H2' DA A 6 -2.698 -9.313 6.270 1.00 0.57 H new ATOM 0 H2'' DA A 6 -3.893 -8.358 7.126 1.00 0.57 H new ATOM 0 H1' DA A 6 -3.308 -6.811 5.431 1.00 0.47 H new ATOM 0 H8 DA A 6 0.369 -6.524 5.562 1.00 0.34 H new ATOM 0 H61 DA A 6 0.125 -8.852 -0.228 1.00 0.32 H new ATOM 0 H62 DA A 6 1.187 -8.080 0.954 1.00 0.32 H new ATOM 0 H2 DA A 6 -3.872 -9.265 1.631 1.00 0.44 H new ATOM 195 P DT A 7 -2.095 -10.687 9.010 1.00 0.90 P ATOM 196 OP1 DT A 7 -2.747 -11.288 10.200 1.00 1.07 O ATOM 197 OP2 DT A 7 -0.686 -11.003 8.719 1.00 1.16 O ATOM 198 O5' DT A 7 -2.940 -11.093 7.716 1.00 0.96 O ATOM 199 C5' DT A 7 -4.310 -11.487 7.546 1.00 0.97 C ATOM 200 C4' DT A 7 -4.326 -12.184 6.206 1.00 0.89 C ATOM 201 O4' DT A 7 -3.669 -11.328 5.243 1.00 0.84 O ATOM 202 C3' DT A 7 -3.600 -13.497 6.157 1.00 0.85 C ATOM 203 O3' DT A 7 -4.454 -14.576 6.477 1.00 1.09 O ATOM 204 C2' DT A 7 -2.973 -13.578 4.759 1.00 0.91 C ATOM 205 C1' DT A 7 -2.880 -12.100 4.310 1.00 0.87 C ATOM 206 N1 DT A 7 -1.473 -11.618 4.257 1.00 0.79 N ATOM 207 C2 DT A 7 -0.894 -11.408 3.018 1.00 0.97 C ATOM 208 O2 DT A 7 -1.471 -11.594 1.955 1.00 1.18 O ATOM 209 N3 DT A 7 0.415 -10.978 3.044 1.00 1.02 N ATOM 210 C4 DT A 7 1.184 -10.743 4.177 1.00 0.93 C ATOM 211 O4 DT A 7 2.345 -10.366 4.049 1.00 1.11 O ATOM 212 C5 DT A 7 0.500 -10.987 5.432 1.00 0.73 C ATOM 213 C7 DT A 7 1.201 -10.780 6.774 1.00 0.74 C ATOM 214 C6 DT A 7 -0.777 -11.406 5.417 1.00 0.67 C ATOM 0 H5' DT A 7 -4.977 -10.625 7.556 1.00 0.97 H new ATOM 0 H5'' DT A 7 -4.636 -12.152 8.346 1.00 0.97 H new ATOM 0 H4' DT A 7 -5.377 -12.382 5.997 1.00 0.89 H new ATOM 0 H3' DT A 7 -2.815 -13.564 6.910 1.00 0.85 H new ATOM 0 H2' DT A 7 -1.991 -14.050 4.788 1.00 0.91 H new ATOM 0 H2'' DT A 7 -3.589 -14.165 4.078 1.00 0.91 H new ATOM 0 HO3' DT A 7 -3.950 -15.416 6.434 1.00 1.09 H new ATOM 0 H1' DT A 7 -3.263 -11.991 3.295 1.00 0.87 H new ATOM 0 H3 DT A 7 0.864 -10.816 2.142 1.00 1.02 H new ATOM 0 H71 DT A 7 0.468 -10.491 7.527 1.00 0.74 H new ATOM 0 H72 DT A 7 1.687 -11.707 7.077 1.00 0.74 H new ATOM 0 H73 DT A 7 1.949 -9.993 6.676 1.00 0.74 H new ATOM 0 H6 DT A 7 -1.275 -11.583 6.359 1.00 0.67 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.223 0.061 -1.866 1.00 0.89 O ATOM 230 C5' DG B 1 -8.069 -1.356 -1.952 1.00 0.72 C ATOM 231 C4' DG B 1 -6.557 -1.715 -2.153 1.00 0.44 C ATOM 232 O4' DG B 1 -5.879 -1.290 -0.947 1.00 0.50 O ATOM 233 C3' DG B 1 -6.073 -3.163 -2.382 1.00 0.41 C ATOM 234 O3' DG B 1 -5.748 -3.526 -3.749 1.00 0.53 O ATOM 235 C2' DG B 1 -4.897 -3.364 -1.379 1.00 0.38 C ATOM 236 C1' DG B 1 -4.622 -1.973 -0.774 1.00 0.37 C ATOM 237 N9 DG B 1 -4.433 -1.926 0.713 1.00 0.33 N ATOM 238 C8 DG B 1 -3.572 -1.165 1.480 1.00 0.26 C ATOM 239 N7 DG B 1 -3.690 -1.357 2.768 1.00 0.31 N ATOM 240 C5 DG B 1 -4.689 -2.310 2.873 1.00 0.38 C ATOM 241 C6 DG B 1 -5.253 -2.912 4.026 1.00 0.50 C ATOM 242 O6 DG B 1 -4.965 -2.714 5.201 1.00 0.57 O ATOM 243 N1 DG B 1 -6.237 -3.826 3.703 1.00 0.63 N ATOM 244 C2 DG B 1 -6.639 -4.125 2.426 1.00 0.66 C ATOM 245 N2 DG B 1 -7.598 -5.026 2.292 1.00 0.84 N ATOM 246 N3 DG B 1 -6.116 -3.560 1.342 1.00 0.56 N ATOM 247 C4 DG B 1 -5.149 -2.663 1.634 1.00 0.41 C ATOM 0 H5' DG B 1 -8.658 -1.745 -2.782 1.00 0.72 H new ATOM 0 H5'' DG B 1 -8.447 -1.828 -1.045 1.00 0.72 H new ATOM 0 H4' DG B 1 -6.343 -1.229 -3.105 1.00 0.44 H new ATOM 0 H3' DG B 1 -6.895 -3.854 -2.196 1.00 0.41 H new ATOM 0 H2' DG B 1 -5.162 -4.083 -0.604 1.00 0.38 H new ATOM 0 H2'' DG B 1 -4.013 -3.753 -1.885 1.00 0.38 H new ATOM 0 HO5' DG B 1 -7.423 0.453 -1.457 1.00 0.89 H new ATOM 0 H1' DG B 1 -3.718 -1.585 -1.242 1.00 0.37 H new ATOM 0 H8 DG B 1 -2.863 -0.472 1.053 1.00 0.26 H new ATOM 0 H1 DG B 1 -6.699 -4.314 4.470 1.00 0.63 H new ATOM 0 H21 DG B 1 -7.931 -5.282 1.362 1.00 0.84 H new ATOM 0 H22 DG B 1 -8.004 -5.465 3.118 1.00 0.84 H new ATOM 260 P DG B 2 -4.564 -2.889 -4.667 1.00 0.71 P ATOM 261 OP1 DG B 2 -4.398 -1.461 -4.310 1.00 1.04 O ATOM 262 OP2 DG B 2 -4.830 -3.259 -6.077 1.00 1.16 O ATOM 263 O5' DG B 2 -3.274 -3.719 -4.141 1.00 0.48 O ATOM 264 C5' DG B 2 -1.944 -3.166 -4.124 1.00 0.39 C ATOM 265 C4' DG B 2 -0.987 -3.870 -3.058 1.00 0.40 C ATOM 266 O4' DG B 2 -1.561 -3.834 -1.717 1.00 0.40 O ATOM 267 C3' DG B 2 -0.626 -5.387 -3.248 1.00 0.44 C ATOM 268 O3' DG B 2 0.603 -6.000 -2.786 1.00 0.46 O ATOM 269 C2' DG B 2 -1.613 -6.029 -2.303 1.00 0.45 C ATOM 270 C1' DG B 2 -1.337 -5.117 -1.099 1.00 0.39 C ATOM 271 N9 DG B 2 -2.252 -5.409 0.033 1.00 0.39 N ATOM 272 C8 DG B 2 -3.469 -6.063 0.004 1.00 0.45 C ATOM 273 N7 DG B 2 -4.050 -6.155 1.149 1.00 0.48 N ATOM 274 C5 DG B 2 -3.179 -5.532 2.020 1.00 0.43 C ATOM 275 C6 DG B 2 -3.311 -5.343 3.410 1.00 0.45 C ATOM 276 O6 DG B 2 -4.199 -5.702 4.183 1.00 0.53 O ATOM 277 N1 DG B 2 -2.229 -4.678 3.907 1.00 0.42 N ATOM 278 C2 DG B 2 -1.150 -4.242 3.198 1.00 0.36 C ATOM 279 N2 DG B 2 -0.220 -3.663 3.940 1.00 0.37 N ATOM 280 N3 DG B 2 -0.996 -4.402 1.889 1.00 0.34 N ATOM 281 C4 DG B 2 -2.064 -5.064 1.359 1.00 0.37 C ATOM 0 H5' DG B 2 -2.003 -2.100 -3.903 1.00 0.39 H new ATOM 0 H5'' DG B 2 -1.504 -3.262 -5.117 1.00 0.39 H new ATOM 0 H4' DG B 2 -0.084 -3.279 -3.212 1.00 0.40 H new ATOM 0 H3' DG B 2 -0.590 -5.506 -4.331 1.00 0.44 H new ATOM 0 H2' DG B 2 -2.643 -5.975 -2.656 1.00 0.45 H new ATOM 0 H2'' DG B 2 -1.398 -7.079 -2.105 1.00 0.45 H new ATOM 0 H1' DG B 2 -0.356 -5.219 -0.635 1.00 0.39 H new ATOM 0 H8 DG B 2 -3.897 -6.463 -0.903 1.00 0.45 H new ATOM 0 H1 DG B 2 -2.227 -4.488 4.909 1.00 0.42 H new ATOM 0 H21 DG B 2 0.629 -3.302 3.504 1.00 0.37 H new ATOM 0 H22 DG B 2 -0.352 -3.578 4.948 1.00 0.37 H new ATOM 293 P DA B 3 1.093 -7.446 -3.362 1.00 0.47 P ATOM 294 OP1 DA B 3 0.248 -7.805 -4.526 1.00 0.66 O ATOM 295 OP2 DA B 3 1.228 -8.370 -2.212 1.00 0.60 O ATOM 296 O5' DA B 3 2.562 -7.008 -3.874 1.00 0.53 O ATOM 297 C5' DA B 3 2.717 -5.770 -4.592 1.00 0.54 C ATOM 298 C4' DA B 3 3.760 -4.812 -3.893 1.00 0.46 C ATOM 299 O4' DA B 3 3.325 -4.547 -2.538 1.00 0.41 O ATOM 300 C3' DA B 3 5.257 -5.210 -3.723 1.00 0.49 C ATOM 301 O3' DA B 3 6.221 -4.151 -3.526 1.00 0.51 O ATOM 302 C2' DA B 3 5.213 -5.904 -2.376 1.00 0.48 C ATOM 303 C1' DA B 3 4.361 -4.899 -1.603 1.00 0.38 C ATOM 304 N9 DA B 3 3.775 -5.568 -0.431 1.00 0.35 N ATOM 305 C8 DA B 3 2.696 -6.395 -0.364 1.00 0.37 C ATOM 306 N7 DA B 3 2.448 -6.862 0.828 1.00 0.36 N ATOM 307 C5 DA B 3 3.443 -6.293 1.605 1.00 0.33 C ATOM 308 C6 DA B 3 3.757 -6.377 2.963 1.00 0.35 C ATOM 309 N6 DA B 3 3.073 -7.090 3.840 1.00 0.39 N ATOM 310 N1 DA B 3 4.808 -5.684 3.395 1.00 0.39 N ATOM 311 C2 DA B 3 5.502 -4.953 2.537 1.00 0.39 C ATOM 312 N3 DA B 3 5.313 -4.790 1.241 1.00 0.37 N ATOM 313 C4 DA B 3 4.250 -5.503 0.839 1.00 0.33 C ATOM 0 H5' DA B 3 1.752 -5.267 -4.662 1.00 0.54 H new ATOM 0 H5'' DA B 3 3.042 -5.979 -5.611 1.00 0.54 H new ATOM 0 H4' DA B 3 3.760 -3.997 -4.617 1.00 0.46 H new ATOM 0 H3' DA B 3 5.575 -5.732 -4.625 1.00 0.49 H new ATOM 0 H2' DA B 3 4.753 -6.891 -2.428 1.00 0.48 H new ATOM 0 H2'' DA B 3 6.203 -6.036 -1.940 1.00 0.48 H new ATOM 0 H1' DA B 3 4.919 -4.034 -1.245 1.00 0.38 H new ATOM 0 H8 DA B 3 2.095 -6.644 -1.226 1.00 0.37 H new ATOM 0 H61 DA B 3 3.360 -7.106 4.819 1.00 0.39 H new ATOM 0 H62 DA B 3 2.258 -7.625 3.538 1.00 0.39 H new ATOM 0 H2 DA B 3 6.340 -4.415 2.956 1.00 0.39 H new ATOM 325 P DG B 4 7.217 -3.565 -4.661 1.00 0.49 P ATOM 326 OP1 DG B 4 7.631 -4.705 -5.516 1.00 0.61 O ATOM 327 OP2 DG B 4 8.248 -2.744 -3.983 1.00 0.74 O ATOM 328 O5' DG B 4 6.232 -2.575 -5.510 1.00 0.51 O ATOM 329 C5' DG B 4 5.637 -2.946 -6.773 1.00 0.39 C ATOM 330 C4' DG B 4 4.502 -2.044 -7.322 1.00 0.41 C ATOM 331 O4' DG B 4 3.311 -2.024 -6.498 1.00 0.38 O ATOM 332 C3' DG B 4 4.786 -0.585 -7.669 1.00 0.45 C ATOM 333 O3' DG B 4 4.084 -0.094 -8.837 1.00 0.55 O ATOM 334 C2' DG B 4 4.282 0.022 -6.361 1.00 0.40 C ATOM 335 C1' DG B 4 2.911 -0.661 -6.253 1.00 0.37 C ATOM 336 N9 DG B 4 2.289 -0.609 -4.902 1.00 0.33 N ATOM 337 C8 DG B 4 2.815 -1.054 -3.716 1.00 0.35 C ATOM 338 N7 DG B 4 2.043 -0.890 -2.682 1.00 0.35 N ATOM 339 C5 DG B 4 0.915 -0.283 -3.220 1.00 0.30 C ATOM 340 C6 DG B 4 -0.266 0.136 -2.571 1.00 0.31 C ATOM 341 O6 DG B 4 -0.555 0.055 -1.382 1.00 0.35 O ATOM 342 N1 DG B 4 -1.150 0.692 -3.454 1.00 0.32 N ATOM 343 C2 DG B 4 -0.952 0.838 -4.793 1.00 0.37 C ATOM 344 N2 DG B 4 -1.949 1.401 -5.452 1.00 0.49 N ATOM 345 N3 DG B 4 0.146 0.456 -5.438 1.00 0.38 N ATOM 346 C4 DG B 4 1.046 -0.102 -4.579 1.00 0.32 C ATOM 0 H5' DG B 4 5.245 -3.958 -6.676 1.00 0.39 H new ATOM 0 H5'' DG B 4 6.429 -2.982 -7.521 1.00 0.39 H new ATOM 0 H4' DG B 4 4.372 -2.571 -8.267 1.00 0.41 H new ATOM 0 H3' DG B 4 5.814 -0.360 -7.954 1.00 0.45 H new ATOM 0 H2' DG B 4 4.931 -0.212 -5.517 1.00 0.40 H new ATOM 0 H2'' DG B 4 4.203 1.108 -6.410 1.00 0.40 H new ATOM 0 H1' DG B 4 2.171 -0.203 -6.909 1.00 0.37 H new ATOM 0 H8 DG B 4 3.794 -1.505 -3.646 1.00 0.35 H new ATOM 0 H1 DG B 4 -2.036 1.027 -3.076 1.00 0.32 H new ATOM 0 H21 DG B 4 -1.877 1.546 -6.459 1.00 0.49 H new ATOM 0 H22 DG B 4 -2.790 1.691 -4.954 1.00 0.49 H new ATOM 358 P DG B 5 4.676 1.134 -9.715 1.00 0.63 P ATOM 359 OP1 DG B 5 3.981 1.197 -11.025 1.00 0.81 O ATOM 360 OP2 DG B 5 6.154 1.055 -9.664 1.00 0.78 O ATOM 361 O5' DG B 5 4.183 2.381 -8.796 1.00 0.55 O ATOM 362 C5' DG B 5 2.776 2.688 -8.646 1.00 0.50 C ATOM 363 C4' DG B 5 2.419 3.608 -7.416 1.00 0.43 C ATOM 364 O4' DG B 5 2.648 2.970 -6.117 1.00 0.41 O ATOM 365 C3' DG B 5 3.078 5.003 -7.271 1.00 0.49 C ATOM 366 O3' DG B 5 2.260 6.102 -6.772 1.00 0.50 O ATOM 367 C2' DG B 5 4.119 4.695 -6.203 1.00 0.51 C ATOM 368 C1' DG B 5 3.270 3.904 -5.203 1.00 0.41 C ATOM 369 N9 DG B 5 4.076 3.289 -4.094 1.00 0.39 N ATOM 370 C8 DG B 5 5.422 2.982 -4.076 1.00 0.45 C ATOM 371 N7 DG B 5 5.847 2.457 -2.968 1.00 0.44 N ATOM 372 C5 DG B 5 4.720 2.405 -2.162 1.00 0.37 C ATOM 373 C6 DG B 5 4.582 1.926 -0.822 1.00 0.39 C ATOM 374 O6 DG B 5 5.427 1.451 -0.069 1.00 0.47 O ATOM 375 N1 DG B 5 3.287 2.057 -0.387 1.00 0.35 N ATOM 376 C2 DG B 5 2.275 2.572 -1.138 1.00 0.32 C ATOM 377 N2 DG B 5 1.124 2.627 -0.527 1.00 0.36 N ATOM 378 N3 DG B 5 2.363 3.024 -2.381 1.00 0.32 N ATOM 379 C4 DG B 5 3.629 2.909 -2.837 1.00 0.33 C ATOM 0 H5' DG B 5 2.224 1.753 -8.553 1.00 0.50 H new ATOM 0 H5'' DG B 5 2.427 3.174 -9.557 1.00 0.50 H new ATOM 0 H4' DG B 5 1.372 3.762 -7.675 1.00 0.43 H new ATOM 0 H3' DG B 5 3.390 5.363 -8.251 1.00 0.49 H new ATOM 0 H2' DG B 5 4.952 4.110 -6.593 1.00 0.51 H new ATOM 0 H2'' DG B 5 4.542 5.599 -5.764 1.00 0.51 H new ATOM 0 H1' DG B 5 2.558 4.484 -4.615 1.00 0.41 H new ATOM 0 H8 DG B 5 6.071 3.165 -4.919 1.00 0.45 H new ATOM 0 H1 DG B 5 3.069 1.749 0.560 1.00 0.35 H new ATOM 0 H21 DG B 5 0.307 2.999 -1.011 1.00 0.36 H new ATOM 0 H22 DG B 5 1.041 2.298 0.435 1.00 0.36 H new ATOM 391 P DA B 6 1.311 6.981 -7.751 1.00 0.61 P ATOM 392 OP1 DA B 6 2.121 7.335 -8.937 1.00 0.70 O ATOM 393 OP2 DA B 6 0.647 8.045 -6.967 1.00 0.77 O ATOM 394 O5' DA B 6 0.246 5.867 -8.189 1.00 0.65 O ATOM 395 C5' DA B 6 -0.953 6.094 -8.939 1.00 0.68 C ATOM 396 C4' DA B 6 -2.123 6.685 -8.081 1.00 0.63 C ATOM 397 O4' DA B 6 -2.141 6.104 -6.751 1.00 0.50 O ATOM 398 C3' DA B 6 -2.109 8.168 -7.765 1.00 0.65 C ATOM 399 O3' DA B 6 -2.524 9.010 -8.844 1.00 0.85 O ATOM 400 C2' DA B 6 -3.095 8.256 -6.606 1.00 0.57 C ATOM 401 C1' DA B 6 -2.654 7.052 -5.780 1.00 0.46 C ATOM 402 N9 DA B 6 -1.758 7.292 -4.608 1.00 0.37 N ATOM 403 C8 DA B 6 -0.425 7.018 -4.468 1.00 0.35 C ATOM 404 N7 DA B 6 0.072 7.340 -3.304 1.00 0.31 N ATOM 405 C5 DA B 6 -1.008 7.865 -2.610 1.00 0.30 C ATOM 406 C6 DA B 6 -1.145 8.388 -1.310 1.00 0.32 C ATOM 407 N6 DA B 6 -0.147 8.474 -0.430 1.00 0.34 N ATOM 408 N1 DA B 6 -2.358 8.815 -0.950 1.00 0.40 N ATOM 409 C2 DA B 6 -3.367 8.733 -1.809 1.00 0.44 C ATOM 410 N3 DA B 6 -3.362 8.268 -3.052 1.00 0.43 N ATOM 411 C4 DA B 6 -2.128 7.840 -3.393 1.00 0.35 C ATOM 0 H5' DA B 6 -1.278 5.153 -9.383 1.00 0.68 H new ATOM 0 H5'' DA B 6 -0.735 6.776 -9.761 1.00 0.68 H new ATOM 0 H4' DA B 6 -2.965 6.458 -8.735 1.00 0.63 H new ATOM 0 H3' DA B 6 -1.101 8.521 -7.549 1.00 0.65 H new ATOM 0 H2' DA B 6 -3.006 9.192 -6.055 1.00 0.57 H new ATOM 0 H2'' DA B 6 -4.131 8.177 -6.935 1.00 0.57 H new ATOM 0 H1' DA B 6 -3.512 6.669 -5.228 1.00 0.46 H new ATOM 0 H8 DA B 6 0.167 6.573 -5.254 1.00 0.35 H new ATOM 0 H61 DA B 6 -0.317 8.865 0.497 1.00 0.34 H new ATOM 0 H62 DA B 6 0.786 8.149 -0.684 1.00 0.34 H new ATOM 0 H2 DA B 6 -4.319 9.093 -1.448 1.00 0.44 H new ATOM 423 P DT B 7 -2.410 10.615 -8.770 1.00 0.90 P ATOM 424 OP1 DT B 7 -3.045 11.180 -9.987 1.00 1.04 O ATOM 425 OP2 DT B 7 -1.029 11.003 -8.428 1.00 1.14 O ATOM 426 O5' DT B 7 -3.327 10.978 -7.512 1.00 0.95 O ATOM 427 C5' DT B 7 -4.724 11.311 -7.389 1.00 0.98 C ATOM 428 C4' DT B 7 -4.805 12.002 -6.031 1.00 0.92 C ATOM 429 O4' DT B 7 -4.122 11.172 -5.061 1.00 0.82 O ATOM 430 C3' DT B 7 -4.127 13.341 -5.958 1.00 0.86 C ATOM 431 O3' DT B 7 -5.036 14.361 -6.308 1.00 1.05 O ATOM 432 C2' DT B 7 -3.600 13.452 -4.527 1.00 0.99 C ATOM 433 C1' DT B 7 -3.401 11.981 -4.114 1.00 0.89 C ATOM 434 N1 DT B 7 -1.977 11.570 -4.019 1.00 0.81 N ATOM 435 C2 DT B 7 -1.423 11.390 -2.763 1.00 0.99 C ATOM 436 O2 DT B 7 -2.039 11.551 -1.721 1.00 1.18 O ATOM 437 N3 DT B 7 -0.094 11.024 -2.734 1.00 1.04 N ATOM 438 C4 DT B 7 0.724 10.826 -3.831 1.00 0.94 C ATOM 439 O4 DT B 7 1.897 10.504 -3.676 1.00 1.11 O ATOM 440 C5 DT B 7 0.066 11.036 -5.106 1.00 0.75 C ATOM 441 C7 DT B 7 0.840 10.877 -6.414 1.00 0.79 C ATOM 442 C6 DT B 7 -1.231 11.391 -5.146 1.00 0.68 C ATOM 0 H5' DT B 7 -5.354 10.422 -7.426 1.00 0.98 H new ATOM 0 H5'' DT B 7 -5.053 11.968 -8.194 1.00 0.98 H new ATOM 0 H4' DT B 7 -5.869 12.149 -5.844 1.00 0.92 H new ATOM 0 H3' DT B 7 -3.301 13.446 -6.661 1.00 0.86 H new ATOM 0 H2' DT B 7 -2.666 14.013 -4.483 1.00 0.99 H new ATOM 0 H2'' DT B 7 -4.309 13.962 -3.875 1.00 0.99 H new ATOM 0 HO3' DT B 7 -4.587 15.231 -6.256 1.00 1.05 H new ATOM 0 H1' DT B 7 -3.786 11.845 -3.103 1.00 0.89 H new ATOM 0 H3 DT B 7 0.326 10.886 -1.815 1.00 1.04 H new ATOM 0 H71 DT B 7 0.162 10.546 -7.200 1.00 0.79 H new ATOM 0 H72 DT B 7 1.281 11.833 -6.694 1.00 0.79 H new ATOM 0 H73 DT B 7 1.630 10.138 -6.282 1.00 0.79 H new ATOM 0 H6 DT B 7 -1.699 11.540 -6.108 1.00 0.68 H new TER 456 DT B 7