USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 12 DT C7 :methyl -30:sc= -0.127 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.84 (180deg=-7.04!) USER MOD Single : A 1 DG O5' : rot 35:sc= 1.29 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.94! (180deg=-8.68!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.616 3.279 2.905 1.00 0.00 O ATOM 2 C5' DG A 1 7.355 4.050 3.846 1.00 0.00 C ATOM 3 C4' DG A 1 6.990 3.734 5.305 1.00 0.00 C ATOM 4 O4' DG A 1 5.585 3.911 5.442 1.00 0.00 O ATOM 5 C3' DG A 1 7.332 2.303 5.754 1.00 0.00 C ATOM 6 O3' DG A 1 7.759 2.350 7.112 1.00 0.00 O ATOM 7 C2' DG A 1 5.984 1.610 5.613 1.00 0.00 C ATOM 8 C1' DG A 1 5.026 2.731 5.988 1.00 0.00 C ATOM 9 N9 DG A 1 3.659 2.465 5.498 1.00 0.00 N ATOM 10 C8 DG A 1 2.599 2.019 6.239 1.00 0.00 C ATOM 11 N7 DG A 1 1.479 1.924 5.575 1.00 0.00 N ATOM 12 C5 DG A 1 1.851 2.253 4.269 1.00 0.00 C ATOM 13 C6 DG A 1 1.084 2.255 3.060 1.00 0.00 C ATOM 14 O6 DG A 1 -0.114 2.020 2.930 1.00 0.00 O ATOM 15 N1 DG A 1 1.834 2.540 1.930 1.00 0.00 N ATOM 16 C2 DG A 1 3.179 2.792 1.967 1.00 0.00 C ATOM 17 N2 DG A 1 3.835 2.936 0.842 1.00 0.00 N ATOM 18 N3 DG A 1 3.915 2.850 3.082 1.00 0.00 N ATOM 19 C4 DG A 1 3.192 2.557 4.205 1.00 0.00 C ATOM 0 H5' DG A 1 7.181 5.109 3.656 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.420 3.870 3.697 1.00 0.00 H new ATOM 0 H4' DG A 1 7.579 4.404 5.931 1.00 0.00 H new ATOM 0 H3' DG A 1 8.125 1.805 5.196 1.00 0.00 H new ATOM 0 H2' DG A 1 5.814 1.247 4.600 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.892 0.752 6.279 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.711 3.124 3.248 1.00 0.00 H new ATOM 0 H1' DG A 1 4.915 2.824 7.068 1.00 0.00 H new ATOM 0 H8 DG A 1 2.682 1.767 7.286 1.00 0.00 H new ATOM 0 H1 DG A 1 1.361 2.563 1.027 1.00 0.00 H new ATOM 0 H21 DG A 1 4.837 3.124 0.857 1.00 0.00 H new ATOM 0 H22 DG A 1 3.343 2.860 -0.048 1.00 0.00 H new ATOM 32 P DG A 2 8.414 1.087 7.887 1.00 0.00 P ATOM 33 OP1 DG A 2 8.946 1.545 9.181 1.00 0.00 O ATOM 34 OP2 DG A 2 9.296 0.327 6.971 1.00 0.00 O ATOM 35 O5' DG A 2 7.191 0.098 8.195 1.00 0.00 O ATOM 36 C5' DG A 2 6.264 0.357 9.239 1.00 0.00 C ATOM 37 C4' DG A 2 5.074 -0.611 9.172 1.00 0.00 C ATOM 38 O4' DG A 2 4.273 -0.325 8.032 1.00 0.00 O ATOM 39 C3' DG A 2 5.512 -2.079 9.088 1.00 0.00 C ATOM 40 O3' DG A 2 5.157 -2.787 10.265 1.00 0.00 O ATOM 41 C2' DG A 2 4.772 -2.631 7.871 1.00 0.00 C ATOM 42 C1' DG A 2 3.751 -1.537 7.528 1.00 0.00 C ATOM 43 N9 DG A 2 3.455 -1.389 6.089 1.00 0.00 N ATOM 44 C8 DG A 2 4.348 -1.323 5.063 1.00 0.00 C ATOM 45 N7 DG A 2 3.823 -1.161 3.882 1.00 0.00 N ATOM 46 C5 DG A 2 2.453 -1.137 4.148 1.00 0.00 C ATOM 47 C6 DG A 2 1.334 -1.010 3.259 1.00 0.00 C ATOM 48 O6 DG A 2 1.339 -0.902 2.038 1.00 0.00 O ATOM 49 N1 DG A 2 0.118 -1.015 3.916 1.00 0.00 N ATOM 50 C2 DG A 2 -0.017 -1.147 5.263 1.00 0.00 C ATOM 51 N2 DG A 2 -1.242 -1.111 5.725 1.00 0.00 N ATOM 52 N3 DG A 2 0.997 -1.310 6.120 1.00 0.00 N ATOM 53 C4 DG A 2 2.215 -1.280 5.498 1.00 0.00 C ATOM 0 H5' DG A 2 5.906 1.384 9.166 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.762 0.261 10.204 1.00 0.00 H new ATOM 0 H4' DG A 2 4.510 -0.469 10.094 1.00 0.00 H new ATOM 0 H3' DG A 2 6.593 -2.181 8.995 1.00 0.00 H new ATOM 0 H2' DG A 2 5.453 -2.816 7.040 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.281 -3.578 8.098 1.00 0.00 H new ATOM 0 H1' DG A 2 2.799 -1.817 7.978 1.00 0.00 H new ATOM 0 H8 DG A 2 5.414 -1.399 5.217 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.729 -0.914 3.357 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.412 -1.204 6.726 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.026 -0.990 5.083 1.00 0.00 H new HETATM 65 P TAF A 3 6.145 -3.912 10.867 1.00 0.00 P HETATM 66 OP1 TAF A 3 5.542 -4.534 12.065 1.00 0.00 O HETATM 67 OP2 TAF A 3 7.508 -3.343 10.935 1.00 0.00 O HETATM 68 O5' TAF A 3 6.140 -5.005 9.695 1.00 0.00 O HETATM 69 N1 TAF A 3 4.088 -8.337 6.899 1.00 0.00 N HETATM 70 C6 TAF A 3 3.063 -7.529 7.349 1.00 0.00 C HETATM 71 C2 TAF A 3 3.816 -9.512 6.190 1.00 0.00 C HETATM 72 O2 TAF A 3 4.686 -10.264 5.764 1.00 0.00 O HETATM 73 N3 TAF A 3 2.489 -9.809 5.959 1.00 0.00 N HETATM 74 C4 TAF A 3 1.415 -9.026 6.323 1.00 0.00 C HETATM 75 O4 TAF A 3 0.290 -9.378 5.985 1.00 0.00 O HETATM 76 C5 TAF A 3 1.760 -7.822 7.073 1.00 0.00 C HETATM 77 C5M TAF A 3 0.661 -6.857 7.487 1.00 0.00 C HETATM 78 F2' TAF A 3 4.926 -5.859 5.927 1.00 0.00 F HETATM 79 C2' TAF A 3 5.953 -6.739 6.199 1.00 0.00 C HETATM 80 C5' TAF A 3 7.173 -5.972 9.601 1.00 0.00 C HETATM 81 C4' TAF A 3 7.013 -6.844 8.354 1.00 0.00 C HETATM 82 O4' TAF A 3 5.810 -7.595 8.398 1.00 0.00 O HETATM 83 C1' TAF A 3 5.519 -7.938 7.058 1.00 0.00 C HETATM 84 C3' TAF A 3 6.974 -6.011 7.072 1.00 0.00 C HETATM 85 O3' TAF A 3 8.261 -5.908 6.464 1.00 0.00 O HETATM 0 H5'' TAF A 3 8.141 -5.471 9.574 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.679 -6.728 8.569 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.822 -5.893 7.004 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.307 -7.257 7.185 1.00 0.00 H new HETATM 0 H6 TAF A 3 3.299 -6.641 7.935 1.00 0.00 H new HETATM 0 H5' TAF A 3 7.165 -6.602 10.490 1.00 0.00 H new HETATM 0 H4' TAF A 3 7.880 -7.504 8.345 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.691 -4.973 7.246 1.00 0.00 H new HETATM 0 H3 TAF A 3 2.285 -10.684 5.477 1.00 0.00 H new HETATM 0 H2' TAF A 3 6.324 -7.085 5.234 1.00 0.00 H new HETATM 0 H1' TAF A 3 6.067 -8.820 6.728 1.00 0.00 H new ATOM 97 P DT A 4 8.692 -4.618 5.588 1.00 0.00 P ATOM 98 OP1 DT A 4 10.091 -4.808 5.169 1.00 0.00 O ATOM 99 OP2 DT A 4 8.343 -3.411 6.380 1.00 0.00 O ATOM 100 O5' DT A 4 7.735 -4.706 4.284 1.00 0.00 O ATOM 101 C5' DT A 4 7.986 -5.658 3.250 1.00 0.00 C ATOM 102 C4' DT A 4 7.168 -5.409 1.972 1.00 0.00 C ATOM 103 O4' DT A 4 5.776 -5.635 2.131 1.00 0.00 O ATOM 104 C3' DT A 4 7.346 -3.976 1.440 1.00 0.00 C ATOM 105 O3' DT A 4 7.481 -3.940 0.034 1.00 0.00 O ATOM 106 C2' DT A 4 5.997 -3.380 1.786 1.00 0.00 C ATOM 107 C1' DT A 4 5.114 -4.578 1.457 1.00 0.00 C ATOM 108 N1 DT A 4 3.739 -4.423 1.965 1.00 0.00 N ATOM 109 C2 DT A 4 2.660 -4.279 1.088 1.00 0.00 C ATOM 110 O2 DT A 4 2.774 -4.182 -0.127 1.00 0.00 O ATOM 111 N3 DT A 4 1.405 -4.271 1.667 1.00 0.00 N ATOM 112 C4 DT A 4 1.135 -4.396 3.014 1.00 0.00 C ATOM 113 O4 DT A 4 -0.043 -4.438 3.375 1.00 0.00 O ATOM 114 C5 DT A 4 2.320 -4.482 3.865 1.00 0.00 C ATOM 115 C7 DT A 4 2.188 -4.581 5.364 1.00 0.00 C ATOM 116 C6 DT A 4 3.562 -4.487 3.313 1.00 0.00 C ATOM 0 H5' DT A 4 7.763 -6.657 3.625 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.047 -5.641 3.001 1.00 0.00 H new ATOM 0 H4' DT A 4 7.564 -6.134 1.261 1.00 0.00 H new ATOM 0 H3' DT A 4 8.227 -3.480 1.847 1.00 0.00 H new ATOM 0 H2' DT A 4 5.926 -3.079 2.831 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.758 -2.503 1.185 1.00 0.00 H new ATOM 0 H1' DT A 4 4.996 -4.729 0.384 1.00 0.00 H new ATOM 0 H3 DT A 4 0.606 -4.163 1.042 1.00 0.00 H new ATOM 0 H71 DT A 4 1.282 -4.066 5.684 1.00 0.00 H new ATOM 0 H72 DT A 4 2.132 -5.630 5.656 1.00 0.00 H new ATOM 0 H73 DT A 4 3.054 -4.119 5.837 1.00 0.00 H new ATOM 0 H6 DT A 4 4.427 -4.543 3.958 1.00 0.00 H new ATOM 129 P DG A 5 8.849 -4.364 -0.691 1.00 0.00 P ATOM 130 OP1 DG A 5 8.868 -5.837 -0.805 1.00 0.00 O ATOM 131 OP2 DG A 5 9.957 -3.650 -0.024 1.00 0.00 O ATOM 132 O5' DG A 5 8.609 -3.715 -2.138 1.00 0.00 O ATOM 133 C5' DG A 5 8.576 -2.310 -2.292 1.00 0.00 C ATOM 134 C4' DG A 5 8.009 -1.946 -3.663 1.00 0.00 C ATOM 135 O4' DG A 5 6.617 -2.264 -3.710 1.00 0.00 O ATOM 136 C3' DG A 5 8.131 -0.438 -3.919 1.00 0.00 C ATOM 137 O3' DG A 5 8.471 -0.240 -5.285 1.00 0.00 O ATOM 138 C2' DG A 5 6.717 0.033 -3.596 1.00 0.00 C ATOM 139 C1' DG A 5 5.925 -1.128 -4.187 1.00 0.00 C ATOM 140 N9 DG A 5 4.467 -1.141 -3.881 1.00 0.00 N ATOM 141 C8 DG A 5 3.447 -1.231 -4.798 1.00 0.00 C ATOM 142 N7 DG A 5 2.247 -1.209 -4.291 1.00 0.00 N ATOM 143 C5 DG A 5 2.482 -1.091 -2.920 1.00 0.00 C ATOM 144 C6 DG A 5 1.553 -1.005 -1.829 1.00 0.00 C ATOM 145 O6 DG A 5 0.326 -1.021 -1.867 1.00 0.00 O ATOM 146 N1 DG A 5 2.167 -0.865 -0.601 1.00 0.00 N ATOM 147 C2 DG A 5 3.514 -0.793 -0.436 1.00 0.00 C ATOM 148 N2 DG A 5 3.938 -0.618 0.793 1.00 0.00 N ATOM 149 N3 DG A 5 4.409 -0.858 -1.424 1.00 0.00 N ATOM 150 C4 DG A 5 3.834 -1.024 -2.655 1.00 0.00 C ATOM 0 H5' DG A 5 9.581 -1.901 -2.185 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.965 -1.864 -1.507 1.00 0.00 H new ATOM 0 H4' DG A 5 8.570 -2.506 -4.411 1.00 0.00 H new ATOM 0 H3' DG A 5 8.890 0.091 -3.343 1.00 0.00 H new ATOM 0 H2' DG A 5 6.549 0.153 -2.526 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.476 0.987 -4.065 1.00 0.00 H new ATOM 0 H1' DG A 5 5.889 -1.068 -5.275 1.00 0.00 H new ATOM 0 H8 DG A 5 3.627 -1.314 -5.860 1.00 0.00 H new ATOM 0 H1 DG A 5 1.577 -0.813 0.229 1.00 0.00 H new ATOM 0 H21 DG A 5 4.938 -0.556 0.983 1.00 0.00 H new ATOM 0 H22 DG A 5 3.268 -0.544 1.558 1.00 0.00 H new ATOM 162 P DG A 6 8.840 1.207 -5.891 1.00 0.00 P ATOM 163 OP1 DG A 6 9.481 1.040 -7.206 1.00 0.00 O ATOM 164 OP2 DG A 6 9.516 1.999 -4.835 1.00 0.00 O ATOM 165 O5' DG A 6 7.399 1.883 -6.116 1.00 0.00 O ATOM 166 C5' DG A 6 6.490 1.344 -7.061 1.00 0.00 C ATOM 167 C4' DG A 6 5.059 1.858 -6.862 1.00 0.00 C ATOM 168 O4' DG A 6 4.483 1.515 -5.614 1.00 0.00 O ATOM 169 C3' DG A 6 4.923 3.373 -7.001 1.00 0.00 C ATOM 170 O3' DG A 6 4.511 3.615 -8.335 1.00 0.00 O ATOM 171 C2' DG A 6 3.890 3.738 -5.925 1.00 0.00 C ATOM 172 C1' DG A 6 3.378 2.380 -5.447 1.00 0.00 C ATOM 173 N9 DG A 6 2.894 2.390 -4.050 1.00 0.00 N ATOM 174 C8 DG A 6 3.618 2.501 -2.888 1.00 0.00 C ATOM 175 N7 DG A 6 2.900 2.503 -1.803 1.00 0.00 N ATOM 176 C5 DG A 6 1.592 2.420 -2.278 1.00 0.00 C ATOM 177 C6 DG A 6 0.351 2.443 -1.567 1.00 0.00 C ATOM 178 O6 DG A 6 0.183 2.518 -0.355 1.00 0.00 O ATOM 179 N1 DG A 6 -0.752 2.402 -2.404 1.00 0.00 N ATOM 180 C2 DG A 6 -0.672 2.368 -3.768 1.00 0.00 C ATOM 181 N2 DG A 6 -1.784 2.413 -4.465 1.00 0.00 N ATOM 182 N3 DG A 6 0.472 2.322 -4.457 1.00 0.00 N ATOM 183 C4 DG A 6 1.576 2.359 -3.652 1.00 0.00 C ATOM 0 H5' DG A 6 6.495 0.257 -6.986 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.826 1.595 -8.067 1.00 0.00 H new ATOM 0 H4' DG A 6 4.525 1.353 -7.667 1.00 0.00 H new ATOM 0 H3' DG A 6 5.821 3.972 -6.847 1.00 0.00 H new ATOM 0 H2' DG A 6 4.341 4.306 -5.111 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.085 4.350 -6.332 1.00 0.00 H new ATOM 0 H1' DG A 6 2.503 2.066 -6.016 1.00 0.00 H new ATOM 0 H8 DG A 6 4.695 2.580 -2.876 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.678 2.397 -1.977 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.748 2.389 -5.484 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.683 2.472 -3.987 1.00 0.00 H new ATOM 195 P DT A 7 4.230 5.094 -8.898 1.00 0.00 P ATOM 196 OP1 DT A 7 4.547 5.114 -10.340 1.00 0.00 O ATOM 197 OP2 DT A 7 4.815 6.091 -7.975 1.00 0.00 O ATOM 198 O5' DT A 7 2.641 5.069 -8.723 1.00 0.00 O ATOM 199 C5' DT A 7 1.812 6.142 -9.121 1.00 0.00 C ATOM 200 C4' DT A 7 0.339 5.713 -9.065 1.00 0.00 C ATOM 201 O4' DT A 7 0.122 4.653 -9.992 1.00 0.00 O ATOM 202 C3' DT A 7 -0.077 5.185 -7.679 1.00 0.00 C ATOM 203 O3' DT A 7 -1.437 5.473 -7.417 1.00 0.00 O ATOM 204 C2' DT A 7 0.051 3.682 -7.836 1.00 0.00 C ATOM 205 C1' DT A 7 -0.391 3.532 -9.291 1.00 0.00 C ATOM 206 N1 DT A 7 0.083 2.268 -9.909 1.00 0.00 N ATOM 207 C2 DT A 7 -0.868 1.418 -10.486 1.00 0.00 C ATOM 208 O2 DT A 7 -2.070 1.651 -10.510 1.00 0.00 O ATOM 209 N3 DT A 7 -0.397 0.246 -11.037 1.00 0.00 N ATOM 210 C4 DT A 7 0.924 -0.154 -11.071 1.00 0.00 C ATOM 211 O4 DT A 7 1.193 -1.231 -11.594 1.00 0.00 O ATOM 212 C5 DT A 7 1.865 0.781 -10.461 1.00 0.00 C ATOM 213 C7 DT A 7 3.348 0.461 -10.428 1.00 0.00 C ATOM 214 C6 DT A 7 1.422 1.939 -9.898 1.00 0.00 C ATOM 0 H5' DT A 7 2.070 6.457 -10.132 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.975 7.000 -8.469 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.251 6.599 -9.299 1.00 0.00 H new ATOM 0 H3' DT A 7 0.518 5.621 -6.877 1.00 0.00 H new ATOM 0 H2' DT A 7 1.069 3.330 -7.671 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.591 3.134 -7.146 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.479 3.490 -9.338 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.084 -0.381 -11.456 1.00 0.00 H new ATOM 0 H71 DT A 7 3.921 1.388 -10.454 1.00 0.00 H new ATOM 0 H72 DT A 7 3.582 -0.085 -9.514 1.00 0.00 H new ATOM 0 H73 DT A 7 3.608 -0.150 -11.292 1.00 0.00 H new ATOM 0 H6 DT A 7 2.131 2.610 -9.436 1.00 0.00 H new ATOM 227 P DG A 8 -1.912 6.938 -6.959 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.269 7.159 -7.498 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.824 7.894 -7.260 1.00 0.00 O ATOM 230 O5' DG A 8 -1.989 6.732 -5.367 1.00 0.00 O ATOM 231 C5' DG A 8 -3.067 6.019 -4.780 1.00 0.00 C ATOM 232 C4' DG A 8 -3.016 6.050 -3.248 1.00 0.00 C ATOM 233 O4' DG A 8 -1.980 5.206 -2.767 1.00 0.00 O ATOM 234 C3' DG A 8 -2.809 7.462 -2.687 1.00 0.00 C ATOM 235 O3' DG A 8 -3.858 7.842 -1.817 1.00 0.00 O ATOM 236 C2' DG A 8 -1.511 7.390 -1.899 1.00 0.00 C ATOM 237 C1' DG A 8 -1.077 5.924 -1.945 1.00 0.00 C ATOM 238 N9 DG A 8 0.304 5.816 -2.468 1.00 0.00 N ATOM 239 C8 DG A 8 0.732 5.731 -3.768 1.00 0.00 C ATOM 240 N7 DG A 8 2.030 5.678 -3.899 1.00 0.00 N ATOM 241 C5 DG A 8 2.506 5.756 -2.586 1.00 0.00 C ATOM 242 C6 DG A 8 3.839 5.742 -2.044 1.00 0.00 C ATOM 243 O6 DG A 8 4.928 5.631 -2.606 1.00 0.00 O ATOM 244 N1 DG A 8 3.874 5.865 -0.667 1.00 0.00 N ATOM 245 C2 DG A 8 2.760 5.976 0.114 1.00 0.00 C ATOM 246 N2 DG A 8 2.932 6.086 1.414 1.00 0.00 N ATOM 247 N3 DG A 8 1.514 5.978 -0.347 1.00 0.00 N ATOM 248 C4 DG A 8 1.449 5.860 -1.707 1.00 0.00 C ATOM 0 H5' DG A 8 -3.045 4.984 -5.122 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.011 6.446 -5.119 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.986 5.692 -2.904 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.785 8.196 -3.492 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.751 8.037 -2.337 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.658 7.722 -0.871 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.090 5.503 -0.940 1.00 0.00 H new ATOM 0 H8 DG A 8 0.055 5.710 -4.609 1.00 0.00 H new ATOM 0 H1 DG A 8 4.785 5.873 -0.208 1.00 0.00 H new ATOM 0 H21 DG A 8 2.123 6.171 2.030 1.00 0.00 H new ATOM 0 H22 DG A 8 3.874 6.086 1.806 1.00 0.00 H new ATOM 260 P DT A 9 -5.140 8.637 -2.378 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.337 8.265 -3.794 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.009 10.056 -1.988 1.00 0.00 O ATOM 263 O5' DT A 9 -6.323 7.978 -1.526 1.00 0.00 O ATOM 264 C5' DT A 9 -6.969 6.790 -1.949 1.00 0.00 C ATOM 265 C4' DT A 9 -7.957 6.320 -0.881 1.00 0.00 C ATOM 266 O4' DT A 9 -7.220 5.906 0.260 1.00 0.00 O ATOM 267 C3' DT A 9 -8.908 7.435 -0.420 1.00 0.00 C ATOM 268 O3' DT A 9 -10.208 6.925 -0.189 1.00 0.00 O ATOM 269 C2' DT A 9 -8.314 7.861 0.911 1.00 0.00 C ATOM 270 C1' DT A 9 -7.763 6.529 1.404 1.00 0.00 C ATOM 271 N1 DT A 9 -6.757 6.718 2.480 1.00 0.00 N ATOM 272 C2 DT A 9 -7.231 6.967 3.774 1.00 0.00 C ATOM 273 O2 DT A 9 -8.429 6.962 4.086 1.00 0.00 O ATOM 274 N3 DT A 9 -6.272 7.169 4.746 1.00 0.00 N ATOM 275 C4 DT A 9 -4.908 7.028 4.574 1.00 0.00 C ATOM 276 O4 DT A 9 -4.192 7.151 5.561 1.00 0.00 O ATOM 277 C5 DT A 9 -4.483 6.731 3.208 1.00 0.00 C ATOM 278 C7 DT A 9 -3.012 6.522 2.887 1.00 0.00 C ATOM 279 C6 DT A 9 -5.405 6.607 2.217 1.00 0.00 C ATOM 0 H5' DT A 9 -6.229 6.012 -2.138 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.493 6.967 -2.888 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.549 5.517 -1.320 1.00 0.00 H new ATOM 0 H3' DT A 9 -8.999 8.235 -1.155 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.536 8.615 0.796 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.063 8.276 1.586 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.537 5.910 1.857 1.00 0.00 H new ATOM 0 H3 DT A 9 -6.598 7.446 5.672 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.917 5.831 2.049 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.558 7.477 2.623 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.505 6.107 3.758 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.075 6.418 1.206 1.00 0.00 H new ATOM 292 P DG A 10 -11.366 7.144 -1.281 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.440 8.593 -1.564 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.568 6.418 -0.820 1.00 0.00 O ATOM 295 O5' DG A 10 -10.762 6.399 -2.577 1.00 0.00 O ATOM 296 C5' DG A 10 -10.886 5.000 -2.764 1.00 0.00 C ATOM 297 C4' DG A 10 -10.129 4.587 -4.030 1.00 0.00 C ATOM 298 O4' DG A 10 -8.719 4.649 -3.811 1.00 0.00 O ATOM 299 C3' DG A 10 -10.441 3.140 -4.442 1.00 0.00 C ATOM 300 O3' DG A 10 -10.550 3.106 -5.860 1.00 0.00 O ATOM 301 C2' DG A 10 -9.199 2.419 -3.933 1.00 0.00 C ATOM 302 C1' DG A 10 -8.164 3.458 -4.341 1.00 0.00 C ATOM 303 N9 DG A 10 -6.786 3.167 -3.841 1.00 0.00 N ATOM 304 C8 DG A 10 -5.619 2.964 -4.560 1.00 0.00 C ATOM 305 N7 DG A 10 -4.559 2.789 -3.825 1.00 0.00 N ATOM 306 C5 DG A 10 -5.046 2.845 -2.524 1.00 0.00 C ATOM 307 C6 DG A 10 -4.354 2.710 -1.281 1.00 0.00 C ATOM 308 O6 DG A 10 -3.159 2.520 -1.099 1.00 0.00 O ATOM 309 N1 DG A 10 -5.177 2.805 -0.178 1.00 0.00 N ATOM 310 C2 DG A 10 -6.529 2.938 -0.257 1.00 0.00 C ATOM 311 N2 DG A 10 -7.212 2.939 0.866 1.00 0.00 N ATOM 312 N3 DG A 10 -7.206 3.065 -1.400 1.00 0.00 N ATOM 313 C4 DG A 10 -6.409 3.029 -2.514 1.00 0.00 C ATOM 0 H5' DG A 10 -11.937 4.725 -2.850 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.487 4.470 -1.899 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.447 5.277 -4.811 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.363 2.705 -4.056 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.222 2.242 -2.858 1.00 0.00 H new ATOM 0 H2'' DG A 10 -9.043 1.453 -4.412 1.00 0.00 H new ATOM 0 H1' DG A 10 -7.999 3.498 -5.418 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.591 2.952 -5.640 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.749 2.774 0.747 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.227 3.037 0.845 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.727 2.842 1.758 1.00 0.00 H new ATOM 325 P DG A 11 -11.011 1.783 -6.659 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.447 2.206 -8.007 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.932 1.033 -5.781 1.00 0.00 O ATOM 328 O5' DG A 11 -9.624 0.971 -6.797 1.00 0.00 O ATOM 329 C5' DG A 11 -8.639 1.359 -7.740 1.00 0.00 C ATOM 330 C4' DG A 11 -7.372 0.503 -7.633 1.00 0.00 C ATOM 331 O4' DG A 11 -6.751 0.692 -6.369 1.00 0.00 O ATOM 332 C3' DG A 11 -7.618 -1.003 -7.814 1.00 0.00 C ATOM 333 O3' DG A 11 -6.897 -1.475 -8.942 1.00 0.00 O ATOM 334 C2' DG A 11 -7.034 -1.622 -6.545 1.00 0.00 C ATOM 335 C1' DG A 11 -6.101 -0.517 -6.038 1.00 0.00 C ATOM 336 N9 DG A 11 -5.776 -0.559 -4.593 1.00 0.00 N ATOM 337 C8 DG A 11 -6.622 -0.565 -3.506 1.00 0.00 C ATOM 338 N7 DG A 11 -6.007 -0.588 -2.358 1.00 0.00 N ATOM 339 C5 DG A 11 -4.658 -0.624 -2.695 1.00 0.00 C ATOM 340 C6 DG A 11 -3.496 -0.732 -1.858 1.00 0.00 C ATOM 341 O6 DG A 11 -3.445 -0.811 -0.633 1.00 0.00 O ATOM 342 N1 DG A 11 -2.319 -0.792 -2.579 1.00 0.00 N ATOM 343 C2 DG A 11 -2.258 -0.787 -3.939 1.00 0.00 C ATOM 344 N2 DG A 11 -1.065 -0.931 -4.470 1.00 0.00 N ATOM 345 N3 DG A 11 -3.320 -0.696 -4.747 1.00 0.00 N ATOM 346 C4 DG A 11 -4.503 -0.611 -4.061 1.00 0.00 C ATOM 0 H5' DG A 11 -8.382 2.407 -7.586 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.048 1.276 -8.747 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.733 0.839 -8.450 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.669 -1.246 -7.968 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.809 -1.865 -5.818 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.494 -2.545 -6.755 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.126 -0.640 -6.509 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.698 -0.552 -3.597 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.442 -0.843 -2.061 1.00 0.00 H new ATOM 0 H21 DG A 11 -0.955 -0.935 -5.484 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.249 -1.038 -3.868 1.00 0.00 H new ATOM 358 P DT A 12 -7.436 -2.719 -9.819 1.00 0.00 P ATOM 359 OP1 DT A 12 -6.422 -3.032 -10.848 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.827 -2.424 -10.223 1.00 0.00 O ATOM 361 O5' DT A 12 -7.449 -3.927 -8.749 1.00 0.00 O ATOM 362 C5' DT A 12 -8.454 -4.928 -8.787 1.00 0.00 C ATOM 363 C4' DT A 12 -8.252 -5.983 -7.691 1.00 0.00 C ATOM 364 O4' DT A 12 -6.985 -6.610 -7.803 1.00 0.00 O ATOM 365 C3' DT A 12 -8.320 -5.413 -6.275 1.00 0.00 C ATOM 366 O3' DT A 12 -9.596 -5.653 -5.714 1.00 0.00 O ATOM 367 C2' DT A 12 -7.275 -6.202 -5.497 1.00 0.00 C ATOM 368 C1' DT A 12 -6.658 -7.144 -6.538 1.00 0.00 C ATOM 369 N1 DT A 12 -5.182 -7.257 -6.395 1.00 0.00 N ATOM 370 C2 DT A 12 -4.651 -8.489 -5.997 1.00 0.00 C ATOM 371 O2 DT A 12 -5.319 -9.510 -5.869 1.00 0.00 O ATOM 372 N3 DT A 12 -3.303 -8.521 -5.715 1.00 0.00 N ATOM 373 C4 DT A 12 -2.443 -7.444 -5.759 1.00 0.00 C ATOM 374 O4 DT A 12 -1.276 -7.620 -5.428 1.00 0.00 O ATOM 375 C5 DT A 12 -3.052 -6.192 -6.200 1.00 0.00 C ATOM 376 C7 DT A 12 -2.219 -4.921 -6.244 1.00 0.00 C ATOM 377 C6 DT A 12 -4.373 -6.143 -6.522 1.00 0.00 C ATOM 0 H5' DT A 12 -8.447 -5.413 -9.763 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.433 -4.464 -8.668 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.069 -6.688 -7.843 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.146 -4.337 -6.255 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.523 -5.544 -5.061 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.727 -6.758 -4.676 1.00 0.00 H new ATOM 0 H1' DT A 12 -7.052 -8.152 -6.405 1.00 0.00 H new ATOM 0 H3 DT A 12 -2.905 -9.422 -5.450 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.448 -4.965 -5.475 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.750 -4.827 -7.224 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.861 -4.059 -6.065 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.797 -5.218 -6.883 1.00 0.00 H new ATOM 390 P DT A 13 -10.456 -4.460 -5.064 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.851 -4.937 -4.939 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.151 -3.224 -5.811 1.00 0.00 O ATOM 393 O5' DT A 13 -9.814 -4.322 -3.586 1.00 0.00 O ATOM 394 C5' DT A 13 -10.356 -5.046 -2.493 1.00 0.00 C ATOM 395 C4' DT A 13 -9.756 -4.632 -1.144 1.00 0.00 C ATOM 396 O4' DT A 13 -8.414 -5.047 -0.958 1.00 0.00 O ATOM 397 C3' DT A 13 -9.848 -3.127 -0.879 1.00 0.00 C ATOM 398 O3' DT A 13 -10.803 -2.942 0.148 1.00 0.00 O ATOM 399 C2' DT A 13 -8.443 -2.769 -0.421 1.00 0.00 C ATOM 400 C1' DT A 13 -7.755 -4.098 -0.132 1.00 0.00 C ATOM 401 N1 DT A 13 -6.338 -4.025 -0.538 1.00 0.00 N ATOM 402 C2 DT A 13 -5.297 -4.060 0.396 1.00 0.00 C ATOM 403 O2 DT A 13 -5.449 -4.132 1.613 1.00 0.00 O ATOM 404 N3 DT A 13 -4.020 -4.034 -0.124 1.00 0.00 N ATOM 405 C4 DT A 13 -3.689 -4.030 -1.460 1.00 0.00 C ATOM 406 O4 DT A 13 -2.502 -4.069 -1.762 1.00 0.00 O ATOM 407 C5 DT A 13 -4.828 -3.966 -2.370 1.00 0.00 C ATOM 408 C7 DT A 13 -4.603 -3.933 -3.861 1.00 0.00 C ATOM 409 C6 DT A 13 -6.093 -3.936 -1.881 1.00 0.00 C ATOM 0 H5' DT A 13 -10.185 -6.111 -2.649 1.00 0.00 H new ATOM 0 H5'' DT A 13 -11.435 -4.897 -2.465 1.00 0.00 H new ATOM 0 H4' DT A 13 -10.379 -5.160 -0.421 1.00 0.00 H new ATOM 0 H3' DT A 13 -10.155 -2.515 -1.727 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.910 -2.211 -1.191 1.00 0.00 H new ATOM 0 H2'' DT A 13 -8.469 -2.140 0.468 1.00 0.00 H new ATOM 0 H1' DT A 13 -7.800 -4.354 0.926 1.00 0.00 H new ATOM 0 H3 DT A 13 -3.249 -4.016 0.544 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.652 -3.446 -4.075 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.584 -4.952 -4.249 1.00 0.00 H new ATOM 0 H73 DT A 13 -5.410 -3.378 -4.339 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.923 -3.840 -2.565 1.00 0.00 H new ATOM 422 P DG A 14 -11.371 -1.491 0.542 1.00 0.00 P ATOM 423 OP1 DG A 14 -12.838 -1.500 0.372 1.00 0.00 O ATOM 424 OP2 DG A 14 -10.545 -0.461 -0.132 1.00 0.00 O ATOM 425 O5' DG A 14 -11.054 -1.443 2.120 1.00 0.00 O ATOM 426 C5' DG A 14 -10.243 -0.422 2.655 1.00 0.00 C ATOM 427 C4' DG A 14 -10.281 -0.435 4.190 1.00 0.00 C ATOM 428 O4' DG A 14 -9.085 -1.041 4.685 1.00 0.00 O ATOM 429 C3' DG A 14 -10.299 1.008 4.713 1.00 0.00 C ATOM 430 O3' DG A 14 -10.923 1.091 5.987 1.00 0.00 O ATOM 431 C2' DG A 14 -8.805 1.272 4.791 1.00 0.00 C ATOM 432 C1' DG A 14 -8.305 -0.046 5.332 1.00 0.00 C ATOM 433 N9 DG A 14 -6.841 -0.172 5.125 1.00 0.00 N ATOM 434 C8 DG A 14 -5.869 -0.054 6.078 1.00 0.00 C ATOM 435 N7 DG A 14 -4.653 -0.273 5.653 1.00 0.00 N ATOM 436 C5 DG A 14 -4.821 -0.445 4.277 1.00 0.00 C ATOM 437 C6 DG A 14 -3.857 -0.652 3.229 1.00 0.00 C ATOM 438 O6 DG A 14 -2.644 -0.830 3.326 1.00 0.00 O ATOM 439 N1 DG A 14 -4.419 -0.637 1.963 1.00 0.00 N ATOM 440 C2 DG A 14 -5.752 -0.470 1.737 1.00 0.00 C ATOM 441 N2 DG A 14 -6.158 -0.407 0.498 1.00 0.00 N ATOM 442 N3 DG A 14 -6.673 -0.329 2.682 1.00 0.00 N ATOM 443 C4 DG A 14 -6.152 -0.322 3.941 1.00 0.00 C ATOM 0 H5' DG A 14 -10.582 0.547 2.288 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.216 -0.551 2.312 1.00 0.00 H new ATOM 0 H4' DG A 14 -11.166 -0.981 4.516 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.857 1.719 4.103 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.377 1.506 3.817 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.568 2.105 5.452 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.425 -0.145 6.411 1.00 0.00 H new ATOM 0 H8 DG A 14 -6.089 0.201 7.104 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.803 -0.757 1.159 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.149 -0.282 0.292 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.484 -0.482 -0.264 1.00 0.00 H new ATOM 455 P DG A 15 -11.281 2.509 6.684 1.00 0.00 P ATOM 456 OP1 DG A 15 -12.204 2.260 7.810 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.617 3.504 5.634 1.00 0.00 O ATOM 458 O5' DG A 15 -9.877 2.975 7.300 1.00 0.00 O ATOM 459 C5' DG A 15 -9.280 2.314 8.402 1.00 0.00 C ATOM 460 C4' DG A 15 -7.896 2.915 8.683 1.00 0.00 C ATOM 461 O4' DG A 15 -7.019 2.621 7.601 1.00 0.00 O ATOM 462 C3' DG A 15 -7.956 4.445 8.830 1.00 0.00 C ATOM 463 O3' DG A 15 -7.106 4.876 9.878 1.00 0.00 O ATOM 464 C2' DG A 15 -7.425 4.941 7.489 1.00 0.00 C ATOM 465 C1' DG A 15 -6.427 3.829 7.156 1.00 0.00 C ATOM 466 N9 DG A 15 -5.990 3.693 5.754 1.00 0.00 N ATOM 467 C8 DG A 15 -6.702 3.915 4.613 1.00 0.00 C ATOM 468 N7 DG A 15 -6.090 3.597 3.509 1.00 0.00 N ATOM 469 C5 DG A 15 -4.831 3.191 3.958 1.00 0.00 C ATOM 470 C6 DG A 15 -3.679 2.754 3.236 1.00 0.00 C ATOM 471 O6 DG A 15 -3.563 2.594 2.029 1.00 0.00 O ATOM 472 N1 DG A 15 -2.588 2.482 4.039 1.00 0.00 N ATOM 473 C2 DG A 15 -2.605 2.595 5.398 1.00 0.00 C ATOM 474 N2 DG A 15 -1.497 2.320 6.052 1.00 0.00 N ATOM 475 N3 DG A 15 -3.663 2.992 6.109 1.00 0.00 N ATOM 476 C4 DG A 15 -4.751 3.276 5.329 1.00 0.00 C ATOM 0 H5' DG A 15 -9.188 1.248 8.192 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.914 2.411 9.283 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.539 2.479 9.616 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.954 4.814 9.067 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.211 5.031 6.739 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.947 5.917 7.568 1.00 0.00 H new ATOM 0 HO3' DG A 15 -7.154 5.852 9.958 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.497 4.092 7.660 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.701 4.325 4.624 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.723 2.180 3.591 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.473 2.394 7.069 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.662 2.033 5.542 1.00 0.00 H new TER 489 DG A 15