USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 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 66:sc= 1.22 USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-0.22) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 65:sc= 1.28 USER MOD Single : B 7 DT C7 :methyl -30:sc= 0 (180deg=-0.192) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.134 2.944 0.662 1.00 0.62 O ATOM 2 C5' DG A 1 -8.112 1.833 1.581 1.00 0.63 C ATOM 3 C4' DG A 1 -6.661 1.449 2.107 1.00 0.51 C ATOM 4 O4' DG A 1 -5.807 0.921 1.070 1.00 0.46 O ATOM 5 C3' DG A 1 -5.755 2.436 2.851 1.00 0.48 C ATOM 6 O3' DG A 1 -4.904 1.761 3.792 1.00 0.55 O ATOM 7 C2' DG A 1 -4.891 2.975 1.702 1.00 0.38 C ATOM 8 C1' DG A 1 -4.578 1.667 0.969 1.00 0.39 C ATOM 9 N9 DG A 1 -4.363 1.721 -0.499 1.00 0.36 N ATOM 10 C8 DG A 1 -3.391 1.112 -1.253 1.00 0.34 C ATOM 11 N7 DG A 1 -3.491 1.339 -2.531 1.00 0.37 N ATOM 12 C5 DG A 1 -4.602 2.152 -2.646 1.00 0.40 C ATOM 13 C6 DG A 1 -5.193 2.717 -3.801 1.00 0.47 C ATOM 14 O6 DG A 1 -4.830 2.597 -4.966 1.00 0.52 O ATOM 15 N1 DG A 1 -6.300 3.479 -3.487 1.00 0.56 N ATOM 16 C2 DG A 1 -6.777 3.668 -2.218 1.00 0.58 C ATOM 17 N2 DG A 1 -7.859 4.413 -2.074 1.00 0.71 N ATOM 18 N3 DG A 1 -6.226 3.141 -1.131 1.00 0.52 N ATOM 19 C4 DG A 1 -5.142 2.394 -1.414 1.00 0.41 C ATOM 0 H5' DG A 1 -8.551 0.963 1.092 1.00 0.63 H new ATOM 0 H5'' DG A 1 -8.745 2.071 2.436 1.00 0.63 H new ATOM 0 H4' DG A 1 -7.024 0.752 2.863 1.00 0.51 H new ATOM 0 H3' DG A 1 -6.308 3.184 3.419 1.00 0.48 H new ATOM 0 H2' DG A 1 -5.428 3.686 1.075 1.00 0.38 H new ATOM 0 H2'' DG A 1 -3.992 3.479 2.057 1.00 0.38 H new ATOM 0 HO5' DG A 1 -7.677 2.692 -0.167 1.00 0.62 H new ATOM 0 H1' DG A 1 -3.657 1.291 1.414 1.00 0.39 H new ATOM 0 H8 DG A 1 -2.612 0.499 -0.824 1.00 0.34 H new ATOM 0 H1 DG A 1 -6.797 3.933 -4.254 1.00 0.56 H new ATOM 0 H21 DG A 1 -8.245 4.577 -1.144 1.00 0.71 H new ATOM 0 H22 DG A 1 -8.308 4.824 -2.893 1.00 0.71 H new ATOM 32 P DG A 2 -4.435 2.434 5.178 1.00 0.49 P ATOM 33 OP1 DG A 2 -3.820 1.355 5.988 1.00 0.65 O ATOM 34 OP2 DG A 2 -5.569 3.210 5.735 1.00 0.54 O ATOM 35 O5' DG A 2 -3.263 3.456 4.704 1.00 0.46 O ATOM 36 C5' DG A 2 -1.900 3.005 4.527 1.00 0.43 C ATOM 37 C4' DG A 2 -1.055 3.799 3.424 1.00 0.42 C ATOM 38 O4' DG A 2 -1.650 3.735 2.096 1.00 0.42 O ATOM 39 C3' DG A 2 -0.814 5.335 3.624 1.00 0.39 C ATOM 40 O3' DG A 2 0.394 6.017 3.216 1.00 0.41 O ATOM 41 C2' DG A 2 -1.835 5.917 2.667 1.00 0.40 C ATOM 42 C1' DG A 2 -1.513 5.025 1.468 1.00 0.39 C ATOM 43 N9 DG A 2 -2.457 5.257 0.344 1.00 0.40 N ATOM 44 C8 DG A 2 -3.738 5.778 0.373 1.00 0.45 C ATOM 45 N7 DG A 2 -4.313 5.844 -0.780 1.00 0.50 N ATOM 46 C5 DG A 2 -3.367 5.342 -1.655 1.00 0.47 C ATOM 47 C6 DG A 2 -3.453 5.180 -3.055 1.00 0.51 C ATOM 48 O6 DG A 2 -4.372 5.462 -3.825 1.00 0.58 O ATOM 49 N1 DG A 2 -2.295 4.649 -3.544 1.00 0.47 N ATOM 50 C2 DG A 2 -1.195 4.315 -2.817 1.00 0.41 C ATOM 51 N2 DG A 2 -0.204 3.873 -3.570 1.00 0.41 N ATOM 52 N3 DG A 2 -1.078 4.449 -1.501 1.00 0.38 N ATOM 53 C4 DG A 2 -2.221 4.976 -0.983 1.00 0.40 C ATOM 0 H5' DG A 2 -1.916 1.949 4.258 1.00 0.43 H new ATOM 0 H5'' DG A 2 -1.382 3.082 5.483 1.00 0.43 H new ATOM 0 H4' DG A 2 -0.110 3.268 3.539 1.00 0.42 H new ATOM 0 H3' DG A 2 -0.822 5.464 4.706 1.00 0.39 H new ATOM 0 H2' DG A 2 -2.861 5.808 3.018 1.00 0.40 H new ATOM 0 H2'' DG A 2 -1.678 6.977 2.466 1.00 0.40 H new ATOM 0 H1' DG A 2 -0.546 5.185 0.991 1.00 0.39 H new ATOM 0 H8 DG A 2 -4.217 6.103 1.285 1.00 0.45 H new ATOM 0 H1 DG A 2 -2.250 4.487 -4.550 1.00 0.47 H new ATOM 0 H21 DG A 2 0.677 3.590 -3.140 1.00 0.41 H new ATOM 0 H22 DG A 2 -0.319 3.814 -4.582 1.00 0.41 H new ATOM 65 P DA A 3 0.728 7.507 3.789 1.00 0.45 P ATOM 66 OP1 DA A 3 -0.155 7.784 4.948 1.00 0.55 O ATOM 67 OP2 DA A 3 0.755 8.430 2.630 1.00 0.55 O ATOM 68 O5' DA A 3 2.242 7.266 4.301 1.00 0.55 O ATOM 69 C5' DA A 3 2.573 6.044 4.982 1.00 0.50 C ATOM 70 C4' DA A 3 3.676 5.208 4.209 1.00 0.49 C ATOM 71 O4' DA A 3 3.227 4.959 2.856 1.00 0.52 O ATOM 72 C3' DA A 3 5.137 5.719 4.006 1.00 0.51 C ATOM 73 O3' DA A 3 6.181 4.744 3.778 1.00 0.54 O ATOM 74 C2' DA A 3 5.028 6.404 2.661 1.00 0.53 C ATOM 75 C1' DA A 3 4.238 5.344 1.908 1.00 0.52 C ATOM 76 N9 DA A 3 3.593 5.963 0.743 1.00 0.47 N ATOM 77 C8 DA A 3 2.436 6.677 0.690 1.00 0.46 C ATOM 78 N7 DA A 3 2.143 7.128 -0.499 1.00 0.42 N ATOM 79 C5 DA A 3 3.192 6.671 -1.286 1.00 0.41 C ATOM 80 C6 DA A 3 3.496 6.801 -2.645 1.00 0.39 C ATOM 81 N6 DA A 3 2.743 7.457 -3.507 1.00 0.39 N ATOM 82 N1 DA A 3 4.611 6.227 -3.093 1.00 0.41 N ATOM 83 C2 DA A 3 5.371 5.563 -2.238 1.00 0.42 C ATOM 84 N3 DA A 3 5.200 5.370 -0.942 1.00 0.44 N ATOM 85 C4 DA A 3 4.072 5.961 -0.529 1.00 0.44 C ATOM 0 H5' DA A 3 1.674 5.438 5.096 1.00 0.50 H new ATOM 0 H5'' DA A 3 2.931 6.275 5.985 1.00 0.50 H new ATOM 0 H4' DA A 3 3.761 4.378 4.911 1.00 0.49 H new ATOM 0 H3' DA A 3 5.419 6.260 4.909 1.00 0.51 H new ATOM 0 H2' DA A 3 4.503 7.358 2.717 1.00 0.53 H new ATOM 0 H2'' DA A 3 6.001 6.601 2.211 1.00 0.53 H new ATOM 0 H1' DA A 3 4.847 4.512 1.555 1.00 0.52 H new ATOM 0 H8 DA A 3 1.815 6.855 1.556 1.00 0.46 H new ATOM 0 H61 DA A 3 3.021 7.515 -4.487 1.00 0.39 H new ATOM 0 H62 DA A 3 1.883 7.906 -3.194 1.00 0.39 H new ATOM 0 H2 DA A 3 6.258 5.114 -2.659 1.00 0.42 H new ATOM 97 P DG A 4 7.031 3.989 4.926 1.00 0.56 P ATOM 98 OP1 DG A 4 7.491 5.003 5.906 1.00 0.63 O ATOM 99 OP2 DG A 4 8.015 3.095 4.276 1.00 0.84 O ATOM 100 O5' DG A 4 5.896 3.053 5.623 1.00 0.60 O ATOM 101 C5' DG A 4 5.488 3.190 7.000 1.00 0.47 C ATOM 102 C4' DG A 4 4.481 2.137 7.507 1.00 0.40 C ATOM 103 O4' DG A 4 3.275 2.166 6.718 1.00 0.42 O ATOM 104 C3' DG A 4 4.901 0.663 7.610 1.00 0.38 C ATOM 105 O3' DG A 4 4.364 -0.154 8.671 1.00 0.46 O ATOM 106 C2' DG A 4 4.294 0.180 6.309 1.00 0.34 C ATOM 107 C1' DG A 4 2.913 0.826 6.383 1.00 0.33 C ATOM 108 N9 DG A 4 2.201 0.797 5.086 1.00 0.30 N ATOM 109 C8 DG A 4 2.602 1.361 3.905 1.00 0.34 C ATOM 110 N7 DG A 4 1.782 1.177 2.912 1.00 0.36 N ATOM 111 C5 DG A 4 0.756 0.430 3.480 1.00 0.30 C ATOM 112 C6 DG A 4 -0.419 -0.069 2.881 1.00 0.29 C ATOM 113 O6 DG A 4 -0.795 0.044 1.720 1.00 0.36 O ATOM 114 N1 DG A 4 -1.187 -0.761 3.780 1.00 0.26 N ATOM 115 C2 DG A 4 -0.886 -0.965 5.097 1.00 0.28 C ATOM 116 N2 DG A 4 -1.773 -1.662 5.786 1.00 0.38 N ATOM 117 N3 DG A 4 0.217 -0.509 5.692 1.00 0.30 N ATOM 118 C4 DG A 4 0.996 0.186 4.813 1.00 0.28 C ATOM 0 H5' DG A 4 5.049 4.179 7.133 1.00 0.47 H new ATOM 0 H5'' DG A 4 6.377 3.148 7.629 1.00 0.47 H new ATOM 0 H4' DG A 4 4.367 2.465 8.540 1.00 0.40 H new ATOM 0 H3' DG A 4 5.971 0.587 7.805 1.00 0.38 H new ATOM 0 H2' DG A 4 4.860 0.513 5.439 1.00 0.34 H new ATOM 0 H2'' DG A 4 4.240 -0.907 6.256 1.00 0.34 H new ATOM 0 H1' DG A 4 2.234 0.329 7.075 1.00 0.33 H new ATOM 0 H8 DG A 4 3.524 1.914 3.806 1.00 0.34 H new ATOM 0 H1 DG A 4 -2.061 -1.159 3.436 1.00 0.26 H new ATOM 0 H21 DG A 4 -1.614 -1.853 6.775 1.00 0.38 H new ATOM 0 H22 DG A 4 -2.616 -2.008 5.328 1.00 0.38 H new ATOM 130 P DG A 5 5.063 -1.566 9.069 1.00 0.59 P ATOM 131 OP1 DG A 5 6.004 -1.312 10.184 1.00 0.76 O ATOM 132 OP2 DG A 5 5.549 -2.206 7.828 1.00 0.62 O ATOM 133 O5' DG A 5 3.815 -2.373 9.661 1.00 0.64 O ATOM 134 C5' DG A 5 2.510 -2.421 9.063 1.00 0.59 C ATOM 135 C4' DG A 5 2.421 -3.341 7.800 1.00 0.47 C ATOM 136 O4' DG A 5 2.867 -2.814 6.520 1.00 0.40 O ATOM 137 C3' DG A 5 3.200 -4.649 7.931 1.00 0.51 C ATOM 138 O3' DG A 5 2.422 -5.835 7.914 1.00 0.65 O ATOM 139 C2' DG A 5 4.219 -4.568 6.794 1.00 0.49 C ATOM 140 C1' DG A 5 3.435 -3.860 5.684 1.00 0.39 C ATOM 141 N9 DG A 5 4.286 -3.251 4.605 1.00 0.38 N ATOM 142 C8 DG A 5 5.630 -2.927 4.630 1.00 0.43 C ATOM 143 N7 DG A 5 6.076 -2.390 3.534 1.00 0.46 N ATOM 144 C5 DG A 5 4.970 -2.345 2.698 1.00 0.41 C ATOM 145 C6 DG A 5 4.866 -1.858 1.358 1.00 0.44 C ATOM 146 O6 DG A 5 5.725 -1.354 0.638 1.00 0.52 O ATOM 147 N1 DG A 5 3.585 -2.004 0.885 1.00 0.40 N ATOM 148 C2 DG A 5 2.554 -2.537 1.599 1.00 0.34 C ATOM 149 N2 DG A 5 1.429 -2.609 0.926 1.00 0.36 N ATOM 150 N3 DG A 5 2.615 -2.998 2.849 1.00 0.33 N ATOM 151 C4 DG A 5 3.869 -2.869 3.339 1.00 0.35 C ATOM 0 H5' DG A 5 2.212 -1.410 8.785 1.00 0.59 H new ATOM 0 H5'' DG A 5 1.794 -2.772 9.806 1.00 0.59 H new ATOM 0 H4' DG A 5 1.337 -3.458 7.784 1.00 0.47 H new ATOM 0 H3' DG A 5 3.659 -4.734 8.916 1.00 0.51 H new ATOM 0 H2' DG A 5 5.106 -4.005 7.085 1.00 0.49 H new ATOM 0 H2'' DG A 5 4.557 -5.556 6.483 1.00 0.49 H new ATOM 0 H1' DG A 5 2.765 -4.506 5.117 1.00 0.39 H new ATOM 0 H8 DG A 5 6.258 -3.106 5.490 1.00 0.43 H new ATOM 0 H1 DG A 5 3.392 -1.692 -0.067 1.00 0.40 H new ATOM 0 H21 DG A 5 0.594 -2.993 1.368 1.00 0.36 H new ATOM 0 H22 DG A 5 1.390 -2.281 -0.039 1.00 0.36 H new ATOM 163 P DA A 6 1.612 -6.195 9.264 1.00 0.65 P ATOM 164 OP1 DA A 6 1.398 -4.977 10.082 1.00 1.08 O ATOM 165 OP2 DA A 6 2.183 -7.422 9.856 1.00 1.16 O ATOM 166 O5' DA A 6 0.207 -6.616 8.609 1.00 0.75 O ATOM 167 C5' DA A 6 -1.071 -6.413 9.223 1.00 0.78 C ATOM 168 C4' DA A 6 -2.225 -6.878 8.271 1.00 0.72 C ATOM 169 O4' DA A 6 -2.079 -6.260 6.968 1.00 0.60 O ATOM 170 C3' DA A 6 -2.260 -8.373 7.924 1.00 0.69 C ATOM 171 O3' DA A 6 -2.689 -9.310 8.948 1.00 0.88 O ATOM 172 C2' DA A 6 -3.128 -8.377 6.657 1.00 0.57 C ATOM 173 C1' DA A 6 -2.563 -7.141 5.927 1.00 0.52 C ATOM 174 N9 DA A 6 -1.576 -7.362 4.820 1.00 0.45 N ATOM 175 C8 DA A 6 -0.225 -7.102 4.781 1.00 0.40 C ATOM 176 N7 DA A 6 0.338 -7.404 3.637 1.00 0.38 N ATOM 177 C5 DA A 6 -0.701 -7.896 2.857 1.00 0.40 C ATOM 178 C6 DA A 6 -0.766 -8.388 1.536 1.00 0.42 C ATOM 179 N6 DA A 6 0.257 -8.470 0.684 1.00 0.39 N ATOM 180 N1 DA A 6 -1.962 -8.787 1.100 1.00 0.47 N ATOM 181 C2 DA A 6 -3.021 -8.712 1.891 1.00 0.51 C ATOM 182 N3 DA A 6 -3.086 -8.277 3.140 1.00 0.51 N ATOM 183 C4 DA A 6 -1.870 -7.877 3.567 1.00 0.45 C ATOM 0 H5' DA A 6 -1.198 -5.359 9.468 1.00 0.78 H new ATOM 0 H5'' DA A 6 -1.121 -6.967 10.160 1.00 0.78 H new ATOM 0 H4' DA A 6 -3.116 -6.604 8.837 1.00 0.72 H new ATOM 0 H3' DA A 6 -1.251 -8.766 7.796 1.00 0.69 H new ATOM 0 H2' DA A 6 -3.010 -9.292 6.076 1.00 0.57 H new ATOM 0 H2'' DA A 6 -4.190 -8.277 6.881 1.00 0.57 H new ATOM 0 H1' DA A 6 -3.371 -6.703 5.341 1.00 0.52 H new ATOM 0 H8 DA A 6 0.320 -6.688 5.616 1.00 0.40 H new ATOM 0 H61 DA A 6 0.111 -8.842 -0.254 1.00 0.39 H new ATOM 0 H62 DA A 6 1.186 -8.161 0.971 1.00 0.39 H new ATOM 0 H2 DA A 6 -3.953 -9.049 1.462 1.00 0.51 H new ATOM 195 P DT A 7 -4.160 -9.991 9.122 1.00 1.02 P ATOM 196 OP1 DT A 7 -5.177 -8.961 8.809 1.00 1.17 O ATOM 197 OP2 DT A 7 -4.210 -10.731 10.403 1.00 1.21 O ATOM 198 O5' DT A 7 -4.069 -11.057 7.912 1.00 0.94 O ATOM 199 C5' DT A 7 -5.153 -11.314 7.021 1.00 1.09 C ATOM 200 C4' DT A 7 -4.723 -11.947 5.706 1.00 1.13 C ATOM 201 O4' DT A 7 -3.766 -11.180 4.960 1.00 0.97 O ATOM 202 C3' DT A 7 -4.095 -13.321 5.791 1.00 1.24 C ATOM 203 O3' DT A 7 -5.076 -14.329 6.012 1.00 1.54 O ATOM 204 C2' DT A 7 -3.350 -13.485 4.449 1.00 1.35 C ATOM 205 C1' DT A 7 -3.085 -12.028 3.999 1.00 1.17 C ATOM 206 N1 DT A 7 -1.647 -11.686 4.024 1.00 1.13 N ATOM 207 C2 DT A 7 -0.931 -11.622 2.841 1.00 1.41 C ATOM 208 O2 DT A 7 -1.417 -11.824 1.739 1.00 1.64 O ATOM 209 N3 DT A 7 0.398 -11.309 2.964 1.00 1.48 N ATOM 210 C4 DT A 7 1.072 -11.053 4.138 1.00 1.34 C ATOM 211 O4 DT A 7 2.265 -10.778 4.116 1.00 1.55 O ATOM 212 C5 DT A 7 0.251 -11.134 5.327 1.00 1.03 C ATOM 213 C7 DT A 7 0.835 -10.861 6.722 1.00 0.95 C ATOM 214 C6 DT A 7 -1.049 -11.445 5.221 1.00 0.92 C ATOM 0 H5' DT A 7 -5.670 -10.378 6.812 1.00 1.09 H new ATOM 0 H5'' DT A 7 -5.870 -11.971 7.514 1.00 1.09 H new ATOM 0 H4' DT A 7 -5.696 -11.999 5.218 1.00 1.13 H new ATOM 0 H3' DT A 7 -3.414 -13.424 6.636 1.00 1.24 H new ATOM 0 H2' DT A 7 -2.421 -14.042 4.572 1.00 1.35 H new ATOM 0 H2'' DT A 7 -3.952 -14.027 3.720 1.00 1.35 H new ATOM 0 HO3' DT A 7 -4.640 -15.205 6.060 1.00 1.54 H new ATOM 0 H1' DT A 7 -3.436 -11.895 2.976 1.00 1.17 H new ATOM 0 H3 DT A 7 0.941 -11.261 2.102 1.00 1.48 H new ATOM 0 H71 DT A 7 1.889 -11.139 6.736 1.00 0.95 H new ATOM 0 H72 DT A 7 0.736 -9.801 6.957 1.00 0.95 H new ATOM 0 H73 DT A 7 0.295 -11.449 7.464 1.00 0.95 H new ATOM 0 H6 DT A 7 -1.644 -11.506 6.121 1.00 0.92 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -7.962 -3.316 -0.582 1.00 0.58 O ATOM 230 C5' DG B 1 -7.971 -2.204 -1.500 1.00 0.62 C ATOM 231 C4' DG B 1 -6.528 -1.743 -1.985 1.00 0.49 C ATOM 232 O4' DG B 1 -5.729 -1.173 -0.929 1.00 0.41 O ATOM 233 C3' DG B 1 -5.554 -2.683 -2.706 1.00 0.43 C ATOM 234 O3' DG B 1 -4.712 -1.965 -3.623 1.00 0.53 O ATOM 235 C2' DG B 1 -4.695 -3.179 -1.534 1.00 0.37 C ATOM 236 C1' DG B 1 -4.468 -1.856 -0.792 1.00 0.37 C ATOM 237 N9 DG B 1 -4.290 -1.899 0.681 1.00 0.36 N ATOM 238 C8 DG B 1 -3.372 -1.241 1.461 1.00 0.34 C ATOM 239 N7 DG B 1 -3.496 -1.474 2.737 1.00 0.36 N ATOM 240 C5 DG B 1 -4.566 -2.340 2.822 1.00 0.39 C ATOM 241 C6 DG B 1 -5.160 -2.935 3.961 1.00 0.47 C ATOM 242 O6 DG B 1 -4.835 -2.796 5.135 1.00 0.51 O ATOM 243 N1 DG B 1 -6.218 -3.752 3.617 1.00 0.55 N ATOM 244 C2 DG B 1 -6.649 -3.965 2.336 1.00 0.57 C ATOM 245 N2 DG B 1 -7.687 -4.760 2.159 1.00 0.72 N ATOM 246 N3 DG B 1 -6.095 -3.410 1.264 1.00 0.49 N ATOM 247 C4 DG B 1 -5.059 -2.610 1.576 1.00 0.40 C ATOM 0 H5' DG B 1 -8.468 -1.359 -1.024 1.00 0.62 H new ATOM 0 H5'' DG B 1 -8.566 -2.473 -2.373 1.00 0.62 H new ATOM 0 H4' DG B 1 -6.907 -1.062 -2.747 1.00 0.49 H new ATOM 0 H3' DG B 1 -6.054 -3.456 -3.289 1.00 0.43 H new ATOM 0 H2' DG B 1 -5.212 -3.917 -0.921 1.00 0.37 H new ATOM 0 H2'' DG B 1 -3.763 -3.637 -1.865 1.00 0.37 H new ATOM 0 HO5' DG B 1 -7.529 -3.046 0.254 1.00 0.58 H new ATOM 0 H1' DG B 1 -3.554 -1.434 -1.210 1.00 0.37 H new ATOM 0 H8 DG B 1 -2.614 -0.588 1.053 1.00 0.34 H new ATOM 0 H1 DG B 1 -6.713 -4.230 4.370 1.00 0.55 H new ATOM 0 H21 DG B 1 -8.036 -4.942 1.218 1.00 0.72 H new ATOM 0 H22 DG B 1 -8.141 -5.193 2.963 1.00 0.72 H new ATOM 260 P DG B 2 -4.170 -2.614 -4.994 1.00 0.46 P ATOM 261 OP1 DG B 2 -3.591 -1.506 -5.790 1.00 0.65 O ATOM 262 OP2 DG B 2 -5.248 -3.447 -5.580 1.00 0.49 O ATOM 263 O5' DG B 2 -2.960 -3.574 -4.486 1.00 0.46 O ATOM 264 C5' DG B 2 -1.623 -3.060 -4.279 1.00 0.39 C ATOM 265 C4' DG B 2 -0.771 -3.806 -3.150 1.00 0.38 C ATOM 266 O4' DG B 2 -1.401 -3.770 -1.836 1.00 0.39 O ATOM 267 C3' DG B 2 -0.453 -5.327 -3.339 1.00 0.39 C ATOM 268 O3' DG B 2 0.776 -5.949 -2.893 1.00 0.40 O ATOM 269 C2' DG B 2 -1.481 -5.950 -2.414 1.00 0.39 C ATOM 270 C1' DG B 2 -1.224 -5.053 -1.203 1.00 0.38 C ATOM 271 N9 DG B 2 -2.186 -5.333 -0.105 1.00 0.40 N ATOM 272 C8 DG B 2 -3.439 -5.918 -0.168 1.00 0.44 C ATOM 273 N7 DG B 2 -4.040 -6.012 0.969 1.00 0.48 N ATOM 274 C5 DG B 2 -3.146 -5.464 1.869 1.00 0.46 C ATOM 275 C6 DG B 2 -3.279 -5.308 3.266 1.00 0.50 C ATOM 276 O6 DG B 2 -4.202 -5.635 4.011 1.00 0.56 O ATOM 277 N1 DG B 2 -2.162 -4.720 3.787 1.00 0.48 N ATOM 278 C2 DG B 2 -1.059 -4.329 3.090 1.00 0.43 C ATOM 279 N2 DG B 2 -0.111 -3.838 3.867 1.00 0.42 N ATOM 280 N3 DG B 2 -0.901 -4.457 1.778 1.00 0.41 N ATOM 281 C4 DG B 2 -2.000 -5.042 1.230 1.00 0.41 C ATOM 0 H5' DG B 2 -1.694 -2.004 -4.019 1.00 0.39 H new ATOM 0 H5'' DG B 2 -1.078 -3.120 -5.221 1.00 0.39 H new ATOM 0 H4' DG B 2 0.148 -3.227 -3.240 1.00 0.38 H new ATOM 0 H3' DG B 2 -0.420 -5.464 -4.420 1.00 0.39 H new ATOM 0 H2' DG B 2 -2.500 -5.875 -2.794 1.00 0.39 H new ATOM 0 H2'' DG B 2 -1.293 -7.005 -2.213 1.00 0.39 H new ATOM 0 H1' DG B 2 -0.265 -5.171 -0.699 1.00 0.38 H new ATOM 0 H8 DG B 2 -3.877 -6.266 -1.092 1.00 0.44 H new ATOM 0 H1 DG B 2 -2.153 -4.558 4.794 1.00 0.48 H new ATOM 0 H21 DG B 2 0.765 -3.511 3.459 1.00 0.42 H new ATOM 0 H22 DG B 2 -0.254 -3.785 4.875 1.00 0.42 H new ATOM 293 P DA B 3 1.202 -7.418 -3.455 1.00 0.45 P ATOM 294 OP1 DA B 3 0.367 -7.741 -4.637 1.00 0.52 O ATOM 295 OP2 DA B 3 1.244 -8.338 -2.294 1.00 0.54 O ATOM 296 O5' DA B 3 2.715 -7.101 -3.926 1.00 0.53 O ATOM 297 C5' DA B 3 3.004 -5.866 -4.601 1.00 0.51 C ATOM 298 C4' DA B 3 4.045 -4.974 -3.801 1.00 0.50 C ATOM 299 O4' DA B 3 3.545 -4.742 -2.463 1.00 0.55 O ATOM 300 C3' DA B 3 5.520 -5.412 -3.556 1.00 0.52 C ATOM 301 O3' DA B 3 6.507 -4.384 -3.302 1.00 0.55 O ATOM 302 C2' DA B 3 5.406 -6.099 -2.213 1.00 0.51 C ATOM 303 C1' DA B 3 4.545 -5.077 -1.484 1.00 0.50 C ATOM 304 N9 DA B 3 3.900 -5.727 -0.336 1.00 0.46 N ATOM 305 C8 DA B 3 2.778 -6.498 -0.314 1.00 0.46 C ATOM 306 N7 DA B 3 2.477 -6.965 0.867 1.00 0.42 N ATOM 307 C5 DA B 3 3.481 -6.459 1.682 1.00 0.40 C ATOM 308 C6 DA B 3 3.758 -6.574 3.050 1.00 0.38 C ATOM 309 N6 DA B 3 3.023 -7.264 3.901 1.00 0.38 N ATOM 310 N1 DA B 3 4.833 -5.946 3.522 1.00 0.40 N ATOM 311 C2 DA B 3 5.579 -5.245 2.687 1.00 0.42 C ATOM 312 N3 DA B 3 5.431 -5.057 1.388 1.00 0.45 N ATOM 313 C4 DA B 3 4.345 -5.703 0.947 1.00 0.43 C ATOM 0 H5' DA B 3 2.080 -5.305 -4.741 1.00 0.51 H new ATOM 0 H5'' DA B 3 3.400 -6.081 -5.594 1.00 0.51 H new ATOM 0 H4' DA B 3 4.112 -4.144 -4.504 1.00 0.50 H new ATOM 0 H3' DA B 3 5.855 -5.941 -4.448 1.00 0.52 H new ATOM 0 H2' DA B 3 4.929 -7.077 -2.281 1.00 0.51 H new ATOM 0 H2'' DA B 3 6.374 -6.249 -1.735 1.00 0.51 H new ATOM 0 H1' DA B 3 5.101 -4.215 -1.115 1.00 0.50 H new ATOM 0 H8 DA B 3 2.189 -6.705 -1.196 1.00 0.46 H new ATOM 0 H61 DA B 3 3.285 -7.304 4.886 1.00 0.38 H new ATOM 0 H62 DA B 3 2.192 -7.758 3.574 1.00 0.38 H new ATOM 0 H2 DA B 3 6.433 -4.755 3.130 1.00 0.42 H new ATOM 325 P DG B 4 7.348 -3.584 -4.427 1.00 0.55 P ATOM 326 OP1 DG B 4 7.886 -4.573 -5.393 1.00 0.61 O ATOM 327 OP2 DG B 4 8.266 -2.640 -3.754 1.00 0.86 O ATOM 328 O5' DG B 4 6.186 -2.707 -5.158 1.00 0.59 O ATOM 329 C5' DG B 4 5.819 -2.868 -6.544 1.00 0.47 C ATOM 330 C4' DG B 4 4.775 -1.868 -7.084 1.00 0.40 C ATOM 331 O4' DG B 4 3.554 -1.957 -6.322 1.00 0.40 O ATOM 332 C3' DG B 4 5.125 -0.374 -7.177 1.00 0.38 C ATOM 333 O3' DG B 4 4.574 0.418 -8.250 1.00 0.45 O ATOM 334 C2' DG B 4 4.462 0.072 -5.891 1.00 0.35 C ATOM 335 C1' DG B 4 3.113 -0.637 -6.003 1.00 0.34 C ATOM 336 N9 DG B 4 2.366 -0.644 -4.725 1.00 0.29 N ATOM 337 C8 DG B 4 2.762 -1.188 -3.534 1.00 0.33 C ATOM 338 N7 DG B 4 1.908 -1.045 -2.563 1.00 0.34 N ATOM 339 C5 DG B 4 0.862 -0.349 -3.160 1.00 0.27 C ATOM 340 C6 DG B 4 -0.352 0.091 -2.594 1.00 0.28 C ATOM 341 O6 DG B 4 -0.752 -0.041 -1.441 1.00 0.37 O ATOM 342 N1 DG B 4 -1.130 0.745 -3.514 1.00 0.25 N ATOM 343 C2 DG B 4 -0.804 0.962 -4.821 1.00 0.28 C ATOM 344 N2 DG B 4 -1.707 1.613 -5.535 1.00 0.38 N ATOM 345 N3 DG B 4 0.335 0.561 -5.386 1.00 0.29 N ATOM 346 C4 DG B 4 1.124 -0.095 -4.486 1.00 0.26 C ATOM 0 H5' DG B 4 5.433 -3.878 -6.683 1.00 0.47 H new ATOM 0 H5'' DG B 4 6.721 -2.786 -7.151 1.00 0.47 H new ATOM 0 H4' DG B 4 4.702 -2.200 -8.120 1.00 0.40 H new ATOM 0 H3' DG B 4 6.194 -0.243 -7.347 1.00 0.38 H new ATOM 0 H2' DG B 4 5.021 -0.240 -5.008 1.00 0.35 H new ATOM 0 H2'' DG B 4 4.356 1.155 -5.835 1.00 0.35 H new ATOM 0 H1' DG B 4 2.429 -0.174 -6.714 1.00 0.34 H new ATOM 0 H8 DG B 4 3.707 -1.695 -3.410 1.00 0.33 H new ATOM 0 H1 DG B 4 -2.031 1.100 -3.194 1.00 0.25 H new ATOM 0 H21 DG B 4 -1.532 1.811 -6.520 1.00 0.38 H new ATOM 0 H22 DG B 4 -2.578 1.917 -5.101 1.00 0.38 H new ATOM 358 P DG B 5 5.212 1.863 -8.631 1.00 0.58 P ATOM 359 OP1 DG B 5 6.196 1.657 -9.718 1.00 0.73 O ATOM 360 OP2 DG B 5 5.629 2.529 -7.378 1.00 0.61 O ATOM 361 O5' DG B 5 3.943 2.609 -9.260 1.00 0.68 O ATOM 362 C5' DG B 5 2.622 2.597 -8.698 1.00 0.60 C ATOM 363 C4' DG B 5 2.456 3.502 -7.432 1.00 0.48 C ATOM 364 O4' DG B 5 2.928 2.981 -6.160 1.00 0.39 O ATOM 365 C3' DG B 5 3.162 4.856 -7.531 1.00 0.49 C ATOM 366 O3' DG B 5 2.320 5.996 -7.564 1.00 0.61 O ATOM 367 C2' DG B 5 4.097 4.902 -6.322 1.00 0.47 C ATOM 368 C1' DG B 5 3.355 4.057 -5.283 1.00 0.39 C ATOM 369 N9 DG B 5 4.221 3.501 -4.190 1.00 0.36 N ATOM 370 C8 DG B 5 5.581 3.251 -4.183 1.00 0.41 C ATOM 371 N7 DG B 5 6.028 2.740 -3.074 1.00 0.42 N ATOM 372 C5 DG B 5 4.907 2.637 -2.266 1.00 0.37 C ATOM 373 C6 DG B 5 4.792 2.147 -0.928 1.00 0.39 C ATOM 374 O6 DG B 5 5.657 1.689 -0.186 1.00 0.46 O ATOM 375 N1 DG B 5 3.494 2.226 -0.490 1.00 0.37 N ATOM 376 C2 DG B 5 2.455 2.703 -1.231 1.00 0.33 C ATOM 377 N2 DG B 5 1.310 2.718 -0.591 1.00 0.36 N ATOM 378 N3 DG B 5 2.525 3.165 -2.480 1.00 0.32 N ATOM 379 C4 DG B 5 3.795 3.101 -2.935 1.00 0.34 C ATOM 0 H5' DG B 5 2.360 1.572 -8.435 1.00 0.60 H new ATOM 0 H5'' DG B 5 1.912 2.922 -9.459 1.00 0.60 H new ATOM 0 H4' DG B 5 1.368 3.565 -7.434 1.00 0.48 H new ATOM 0 H3' DG B 5 3.674 4.914 -8.491 1.00 0.49 H new ATOM 0 H2' DG B 5 5.078 4.487 -6.554 1.00 0.47 H new ATOM 0 H2'' DG B 5 4.257 5.922 -5.973 1.00 0.47 H new ATOM 0 H1' DG B 5 2.594 4.611 -4.733 1.00 0.39 H new ATOM 0 H8 DG B 5 6.219 3.463 -5.028 1.00 0.41 H new ATOM 0 H1 DG B 5 3.293 1.905 0.457 1.00 0.37 H new ATOM 0 H21 DG B 5 0.469 3.058 -1.058 1.00 0.36 H new ATOM 0 H22 DG B 5 1.261 2.390 0.374 1.00 0.36 H new ATOM 391 P DA B 6 1.536 6.309 -8.936 1.00 0.64 P ATOM 392 OP1 DA B 6 1.408 5.081 -9.754 1.00 1.07 O ATOM 393 OP2 DA B 6 2.059 7.565 -9.512 1.00 1.15 O ATOM 394 O5' DA B 6 0.097 6.657 -8.316 1.00 0.73 O ATOM 395 C5' DA B 6 -1.150 6.390 -8.966 1.00 0.78 C ATOM 396 C4' DA B 6 -2.351 6.790 -8.048 1.00 0.74 C ATOM 397 O4' DA B 6 -2.205 6.179 -6.740 1.00 0.62 O ATOM 398 C3' DA B 6 -2.470 8.278 -7.705 1.00 0.69 C ATOM 399 O3' DA B 6 -2.924 9.199 -8.734 1.00 0.86 O ATOM 400 C2' DA B 6 -3.360 8.223 -6.463 1.00 0.58 C ATOM 401 C1' DA B 6 -2.758 7.033 -5.711 1.00 0.54 C ATOM 402 N9 DA B 6 -1.823 7.311 -4.576 1.00 0.47 N ATOM 403 C8 DA B 6 -0.464 7.120 -4.499 1.00 0.43 C ATOM 404 N7 DA B 6 0.053 7.453 -3.342 1.00 0.39 N ATOM 405 C5 DA B 6 -1.031 7.892 -2.595 1.00 0.40 C ATOM 406 C6 DA B 6 -1.153 8.377 -1.280 1.00 0.41 C ATOM 407 N6 DA B 6 -0.145 8.504 -0.422 1.00 0.38 N ATOM 408 N1 DA B 6 -2.378 8.716 -0.870 1.00 0.46 N ATOM 409 C2 DA B 6 -3.413 8.589 -1.687 1.00 0.50 C ATOM 410 N3 DA B 6 -3.424 8.151 -2.937 1.00 0.52 N ATOM 411 C4 DA B 6 -2.179 7.812 -3.334 1.00 0.45 C ATOM 0 H5' DA B 6 -1.215 5.331 -9.217 1.00 0.78 H new ATOM 0 H5'' DA B 6 -1.203 6.944 -9.903 1.00 0.78 H new ATOM 0 H4' DA B 6 -3.212 6.469 -8.634 1.00 0.74 H new ATOM 0 H3' DA B 6 -1.488 8.728 -7.561 1.00 0.69 H new ATOM 0 H2' DA B 6 -3.311 9.144 -5.881 1.00 0.58 H new ATOM 0 H2'' DA B 6 -4.408 8.061 -6.716 1.00 0.58 H new ATOM 0 H1' DA B 6 -3.550 6.552 -5.138 1.00 0.54 H new ATOM 0 H8 DA B 6 0.124 6.731 -5.317 1.00 0.43 H new ATOM 0 H61 DA B 6 -0.316 8.865 0.516 1.00 0.38 H new ATOM 0 H62 DA B 6 0.800 8.241 -0.702 1.00 0.38 H new ATOM 0 H2 DA B 6 -4.371 8.880 -1.282 1.00 0.50 H new ATOM 423 P DT B 7 -4.425 9.800 -8.947 1.00 1.02 P ATOM 424 OP1 DT B 7 -5.395 8.718 -8.667 1.00 1.19 O ATOM 425 OP2 DT B 7 -4.478 10.542 -10.227 1.00 1.23 O ATOM 426 O5' DT B 7 -4.437 10.866 -7.734 1.00 0.93 O ATOM 427 C5' DT B 7 -5.575 11.092 -6.897 1.00 1.10 C ATOM 428 C4' DT B 7 -5.198 11.786 -5.562 1.00 1.14 C ATOM 429 O4' DT B 7 -4.261 11.039 -4.752 1.00 1.00 O ATOM 430 C3' DT B 7 -4.589 13.137 -5.625 1.00 1.24 C ATOM 431 O3' DT B 7 -5.612 14.062 -5.834 1.00 1.54 O ATOM 432 C2' DT B 7 -3.833 13.342 -4.302 1.00 1.32 C ATOM 433 C1' DT B 7 -3.601 11.906 -3.796 1.00 1.19 C ATOM 434 N1 DT B 7 -2.146 11.631 -3.783 1.00 1.14 N ATOM 435 C2 DT B 7 -1.459 11.596 -2.584 1.00 1.42 C ATOM 436 O2 DT B 7 -1.985 11.770 -1.495 1.00 1.67 O ATOM 437 N3 DT B 7 -0.114 11.348 -2.668 1.00 1.49 N ATOM 438 C4 DT B 7 0.607 11.130 -3.819 1.00 1.34 C ATOM 439 O4 DT B 7 1.812 10.918 -3.762 1.00 1.55 O ATOM 440 C5 DT B 7 -0.187 11.180 -5.032 1.00 1.03 C ATOM 441 C7 DT B 7 0.454 10.929 -6.401 1.00 0.95 C ATOM 442 C6 DT B 7 -1.508 11.425 -4.964 1.00 0.92 C ATOM 0 H5' DT B 7 -6.061 10.140 -6.684 1.00 1.10 H new ATOM 0 H5'' DT B 7 -6.299 11.707 -7.431 1.00 1.10 H new ATOM 0 H4' DT B 7 -6.201 11.851 -5.140 1.00 1.14 H new ATOM 0 H3' DT B 7 -3.880 13.261 -6.444 1.00 1.24 H new ATOM 0 H2' DT B 7 -2.892 13.871 -4.455 1.00 1.32 H new ATOM 0 H2'' DT B 7 -4.417 13.928 -3.593 1.00 1.32 H new ATOM 0 HO3' DT B 7 -5.233 14.965 -5.878 1.00 1.54 H new ATOM 0 H1' DT B 7 -3.988 11.753 -2.789 1.00 1.19 H new ATOM 0 H3 DT B 7 0.404 11.323 -1.790 1.00 1.49 H new ATOM 0 H71 DT B 7 1.496 11.248 -6.379 1.00 0.95 H new ATOM 0 H72 DT B 7 0.405 9.866 -6.636 1.00 0.95 H new ATOM 0 H73 DT B 7 -0.083 11.494 -7.163 1.00 0.95 H new ATOM 0 H6 DT B 7 -2.080 11.459 -5.879 1.00 0.92 H new TER 456 DT B 7