USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 DC O5' : rot 29:sc= 0.00334 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.92! (180deg=-1.92!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.63! (180deg=-1.63!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.495 -9.387 -1.124 1.00 0.00 O ATOM 2 C5' DC A 1 3.782 -8.855 -1.360 1.00 0.00 C ATOM 3 C4' DC A 1 4.134 -7.795 -0.311 1.00 0.00 C ATOM 4 O4' DC A 1 3.199 -6.737 -0.322 1.00 0.00 O ATOM 5 C3' DC A 1 4.236 -8.332 1.121 1.00 0.00 C ATOM 6 O3' DC A 1 5.627 -8.535 1.342 1.00 0.00 O ATOM 7 C2' DC A 1 3.579 -7.186 1.939 1.00 0.00 C ATOM 8 C1' DC A 1 3.322 -6.070 0.914 1.00 0.00 C ATOM 9 N1 DC A 1 2.113 -5.251 1.188 1.00 0.00 N ATOM 10 C2 DC A 1 2.178 -3.856 1.255 1.00 0.00 C ATOM 11 O2 DC A 1 3.246 -3.256 1.165 1.00 0.00 O ATOM 12 N3 DC A 1 1.012 -3.160 1.423 1.00 0.00 N ATOM 13 C4 DC A 1 -0.168 -3.794 1.523 1.00 0.00 C ATOM 14 N4 DC A 1 -1.282 -3.075 1.694 1.00 0.00 N ATOM 15 C5 DC A 1 -0.256 -5.221 1.388 1.00 0.00 C ATOM 16 C6 DC A 1 0.909 -5.885 1.217 1.00 0.00 C ATOM 0 H5' DC A 1 3.821 -8.414 -2.356 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.521 -9.656 -1.337 1.00 0.00 H new ATOM 0 H4' DC A 1 5.124 -7.444 -0.601 1.00 0.00 H new ATOM 0 H3' DC A 1 3.749 -9.274 1.373 1.00 0.00 H new ATOM 0 H2' DC A 1 2.651 -7.515 2.406 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.235 -6.845 2.739 1.00 0.00 H new ATOM 0 HO5' DC A 1 1.938 -8.713 -0.681 1.00 0.00 H new ATOM 0 H1' DC A 1 4.139 -5.349 0.942 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.185 -3.544 1.771 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.229 -2.058 1.747 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.204 -5.737 1.421 1.00 0.00 H new ATOM 0 H6 DC A 1 0.883 -6.958 1.099 1.00 0.00 H new ATOM 29 P DG A 2 6.328 -8.572 2.791 1.00 0.00 P ATOM 30 OP1 DG A 2 7.676 -9.160 2.633 1.00 0.00 O ATOM 31 OP2 DG A 2 5.376 -9.157 3.762 1.00 0.00 O ATOM 32 O5' DG A 2 6.502 -7.001 3.127 1.00 0.00 O ATOM 33 C5' DG A 2 7.103 -6.095 2.215 1.00 0.00 C ATOM 34 C4' DG A 2 7.230 -4.707 2.825 1.00 0.00 C ATOM 35 O4' DG A 2 5.961 -4.076 2.744 1.00 0.00 O ATOM 36 C3' DG A 2 7.690 -4.718 4.290 1.00 0.00 C ATOM 37 O3' DG A 2 8.679 -3.720 4.434 1.00 0.00 O ATOM 38 C2' DG A 2 6.352 -4.454 4.962 1.00 0.00 C ATOM 39 C1' DG A 2 5.720 -3.473 3.986 1.00 0.00 C ATOM 40 N9 DG A 2 4.271 -3.294 4.234 1.00 0.00 N ATOM 41 C8 DG A 2 3.376 -4.265 4.592 1.00 0.00 C ATOM 42 N7 DG A 2 2.137 -3.873 4.636 1.00 0.00 N ATOM 43 C5 DG A 2 2.214 -2.525 4.316 1.00 0.00 C ATOM 44 C6 DG A 2 1.168 -1.565 4.192 1.00 0.00 C ATOM 45 O6 DG A 2 -0.040 -1.770 4.241 1.00 0.00 O ATOM 46 N1 DG A 2 1.647 -0.273 3.995 1.00 0.00 N ATOM 47 C2 DG A 2 2.984 0.040 3.832 1.00 0.00 C ATOM 48 N2 DG A 2 3.280 1.332 3.655 1.00 0.00 N ATOM 49 N3 DG A 2 3.966 -0.882 3.846 1.00 0.00 N ATOM 50 C4 DG A 2 3.519 -2.144 4.106 1.00 0.00 C ATOM 0 H5' DG A 2 6.507 -6.042 1.304 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.089 -6.462 1.930 1.00 0.00 H new ATOM 0 H4' DG A 2 7.996 -4.171 2.265 1.00 0.00 H new ATOM 0 H3' DG A 2 8.170 -5.606 4.701 1.00 0.00 H new ATOM 0 H2' DG A 2 5.761 -5.363 5.073 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.469 -4.026 5.958 1.00 0.00 H new ATOM 0 H1' DG A 2 6.132 -2.467 4.067 1.00 0.00 H new ATOM 0 H8 DG A 2 3.675 -5.277 4.820 1.00 0.00 H new ATOM 0 H1 DG A 2 0.970 0.490 3.969 1.00 0.00 H new ATOM 0 H21 DG A 2 4.250 1.620 3.530 1.00 0.00 H new ATOM 0 H22 DG A 2 2.535 2.029 3.645 1.00 0.00 H new ATOM 62 P DC A 3 9.207 -3.205 5.860 1.00 0.00 P ATOM 63 OP1 DC A 3 10.647 -2.887 5.743 1.00 0.00 O ATOM 64 OP2 DC A 3 8.733 -4.116 6.925 1.00 0.00 O ATOM 65 O5' DC A 3 8.378 -1.830 5.942 1.00 0.00 O ATOM 66 C5' DC A 3 8.652 -0.769 5.045 1.00 0.00 C ATOM 67 C4' DC A 3 7.897 0.490 5.462 1.00 0.00 C ATOM 68 O4' DC A 3 6.504 0.281 5.342 1.00 0.00 O ATOM 69 C3' DC A 3 8.213 0.897 6.909 1.00 0.00 C ATOM 70 O3' DC A 3 8.732 2.215 6.871 1.00 0.00 O ATOM 71 C2' DC A 3 6.878 0.736 7.615 1.00 0.00 C ATOM 72 C1' DC A 3 5.860 0.797 6.488 1.00 0.00 C ATOM 73 N1 DC A 3 4.714 -0.084 6.827 1.00 0.00 N ATOM 74 C2 DC A 3 3.448 0.461 7.026 1.00 0.00 C ATOM 75 O2 DC A 3 3.241 1.665 6.906 1.00 0.00 O ATOM 76 N3 DC A 3 2.430 -0.382 7.360 1.00 0.00 N ATOM 77 C4 DC A 3 2.630 -1.697 7.528 1.00 0.00 C ATOM 78 N4 DC A 3 1.591 -2.483 7.819 1.00 0.00 N ATOM 79 C5 DC A 3 3.933 -2.266 7.371 1.00 0.00 C ATOM 80 C6 DC A 3 4.926 -1.430 7.000 1.00 0.00 C ATOM 0 H5' DC A 3 8.363 -1.056 4.034 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.723 -0.568 5.026 1.00 0.00 H new ATOM 0 H4' DC A 3 8.220 1.293 4.800 1.00 0.00 H new ATOM 0 H3' DC A 3 8.966 0.311 7.437 1.00 0.00 H new ATOM 0 H2' DC A 3 6.822 -0.210 8.153 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.714 1.528 8.345 1.00 0.00 H new ATOM 0 H1' DC A 3 5.500 1.813 6.327 1.00 0.00 H new ATOM 0 H41 DC A 3 1.730 -3.485 7.949 1.00 0.00 H new ATOM 0 H42 DC A 3 0.658 -2.081 7.911 1.00 0.00 H new ATOM 0 H5 DC A 3 4.114 -3.317 7.542 1.00 0.00 H new ATOM 0 H6 DC A 3 5.915 -1.831 6.835 1.00 0.00 H new ATOM 92 P DT A 4 9.075 3.067 8.193 1.00 0.00 P ATOM 93 OP1 DT A 4 9.938 4.204 7.801 1.00 0.00 O ATOM 94 OP2 DT A 4 9.516 2.137 9.256 1.00 0.00 O ATOM 95 O5' DT A 4 7.627 3.644 8.590 1.00 0.00 O ATOM 96 C5' DT A 4 6.869 4.439 7.696 1.00 0.00 C ATOM 97 C4' DT A 4 5.589 4.915 8.392 1.00 0.00 C ATOM 98 O4' DT A 4 4.697 3.827 8.563 1.00 0.00 O ATOM 99 C3' DT A 4 5.856 5.541 9.765 1.00 0.00 C ATOM 100 O3' DT A 4 5.431 6.893 9.774 1.00 0.00 O ATOM 101 C2' DT A 4 5.083 4.627 10.719 1.00 0.00 C ATOM 102 C1' DT A 4 4.058 3.940 9.820 1.00 0.00 C ATOM 103 N1 DT A 4 3.646 2.576 10.274 1.00 0.00 N ATOM 104 C2 DT A 4 2.283 2.274 10.326 1.00 0.00 C ATOM 105 O2 DT A 4 1.399 3.126 10.270 1.00 0.00 O ATOM 106 N3 DT A 4 1.953 0.932 10.448 1.00 0.00 N ATOM 107 C4 DT A 4 2.840 -0.133 10.524 1.00 0.00 C ATOM 108 O4 DT A 4 2.408 -1.280 10.622 1.00 0.00 O ATOM 109 C5 DT A 4 4.242 0.256 10.475 1.00 0.00 C ATOM 110 C7 DT A 4 5.334 -0.808 10.443 1.00 0.00 C ATOM 111 C6 DT A 4 4.582 1.568 10.371 1.00 0.00 C ATOM 0 H5' DT A 4 6.618 3.864 6.805 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.457 5.296 7.367 1.00 0.00 H new ATOM 0 H4' DT A 4 5.155 5.681 7.749 1.00 0.00 H new ATOM 0 H3' DT A 4 6.906 5.596 10.051 1.00 0.00 H new ATOM 0 H2' DT A 4 5.741 3.903 11.200 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.600 5.196 11.513 1.00 0.00 H new ATOM 0 H1' DT A 4 3.140 4.527 9.816 1.00 0.00 H new ATOM 0 H3 DT A 4 0.959 0.705 10.486 1.00 0.00 H new ATOM 0 H71 DT A 4 6.198 -0.427 9.898 1.00 0.00 H new ATOM 0 H72 DT A 4 5.629 -1.057 11.462 1.00 0.00 H new ATOM 0 H73 DT A 4 4.957 -1.702 9.946 1.00 0.00 H new ATOM 0 H6 DT A 4 5.629 1.832 10.364 1.00 0.00 H new ATOM 124 P DA A 5 5.555 7.833 11.084 1.00 0.00 P ATOM 125 OP1 DA A 5 5.744 9.231 10.640 1.00 0.00 O ATOM 126 OP2 DA A 5 6.513 7.220 12.031 1.00 0.00 O ATOM 127 O5' DA A 5 4.072 7.689 11.695 1.00 0.00 O ATOM 128 C5' DA A 5 2.964 8.191 10.979 1.00 0.00 C ATOM 129 C4' DA A 5 1.648 7.824 11.640 1.00 0.00 C ATOM 130 O4' DA A 5 1.506 6.425 11.739 1.00 0.00 O ATOM 131 C3' DA A 5 1.500 8.437 13.038 1.00 0.00 C ATOM 132 O3' DA A 5 0.382 9.298 12.963 1.00 0.00 O ATOM 133 C2' DA A 5 1.432 7.210 13.936 1.00 0.00 C ATOM 134 C1' DA A 5 0.931 6.130 12.992 1.00 0.00 C ATOM 135 N9 DA A 5 1.345 4.757 13.351 1.00 0.00 N ATOM 136 C8 DA A 5 2.607 4.258 13.568 1.00 0.00 C ATOM 137 N7 DA A 5 2.662 2.956 13.659 1.00 0.00 N ATOM 138 C5 DA A 5 1.338 2.560 13.500 1.00 0.00 C ATOM 139 C6 DA A 5 0.696 1.303 13.479 1.00 0.00 C ATOM 140 N6 DA A 5 1.353 0.142 13.598 1.00 0.00 N ATOM 141 N1 DA A 5 -0.641 1.275 13.324 1.00 0.00 N ATOM 142 C2 DA A 5 -1.300 2.421 13.162 1.00 0.00 C ATOM 143 N3 DA A 5 -0.812 3.652 13.117 1.00 0.00 N ATOM 144 C4 DA A 5 0.532 3.654 13.306 1.00 0.00 C ATOM 0 H5' DA A 5 2.981 7.799 9.962 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.042 9.276 10.903 1.00 0.00 H new ATOM 0 H4' DA A 5 0.865 8.234 11.002 1.00 0.00 H new ATOM 0 H3' DA A 5 2.289 9.074 13.438 1.00 0.00 H new ATOM 0 H2' DA A 5 2.407 6.961 14.355 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.753 7.360 14.776 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.159 6.139 13.018 1.00 0.00 H new ATOM 0 H8 DA A 5 3.479 4.889 13.656 1.00 0.00 H new ATOM 0 H61 DA A 5 0.840 -0.739 13.576 1.00 0.00 H new ATOM 0 H62 DA A 5 2.367 0.139 13.710 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.371 2.336 13.053 1.00 0.00 H new ATOM 156 P DG A 6 -0.180 10.117 14.219 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.908 11.309 13.730 1.00 0.00 O ATOM 158 OP2 DG A 6 0.885 10.254 15.237 1.00 0.00 O ATOM 159 O5' DG A 6 -1.238 9.031 14.714 1.00 0.00 O ATOM 160 C5' DG A 6 -2.364 8.688 13.929 1.00 0.00 C ATOM 161 C4' DG A 6 -3.084 7.525 14.607 1.00 0.00 C ATOM 162 O4' DG A 6 -2.321 6.323 14.473 1.00 0.00 O ATOM 163 C3' DG A 6 -3.249 7.824 16.108 1.00 0.00 C ATOM 164 O3' DG A 6 -4.585 7.668 16.541 1.00 0.00 O ATOM 165 C2' DG A 6 -2.286 6.800 16.677 1.00 0.00 C ATOM 166 C1' DG A 6 -2.410 5.649 15.709 1.00 0.00 C ATOM 167 N9 DG A 6 -1.376 4.629 16.003 1.00 0.00 N ATOM 168 C8 DG A 6 -0.044 4.789 16.306 1.00 0.00 C ATOM 169 N7 DG A 6 0.587 3.680 16.562 1.00 0.00 N ATOM 170 C5 DG A 6 -0.402 2.712 16.465 1.00 0.00 C ATOM 171 C6 DG A 6 -0.319 1.305 16.657 1.00 0.00 C ATOM 172 O6 DG A 6 0.690 0.634 16.849 1.00 0.00 O ATOM 173 N1 DG A 6 -1.567 0.691 16.606 1.00 0.00 N ATOM 174 C2 DG A 6 -2.756 1.346 16.350 1.00 0.00 C ATOM 175 N2 DG A 6 -3.875 0.615 16.382 1.00 0.00 N ATOM 176 N3 DG A 6 -2.826 2.664 16.114 1.00 0.00 N ATOM 177 C4 DG A 6 -1.619 3.289 16.189 1.00 0.00 C ATOM 0 H5' DG A 6 -2.054 8.408 12.922 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.033 9.543 13.830 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.058 7.400 14.133 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.037 8.848 16.415 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.267 7.184 16.720 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.560 6.507 17.691 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.321 5.052 15.748 1.00 0.00 H new ATOM 0 H8 DG A 6 0.438 5.755 16.330 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.607 -0.315 16.769 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.777 1.055 16.199 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.827 -0.383 16.589 1.00 0.00 H new ATOM 189 P DC A 7 -5.021 7.864 18.091 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.313 8.584 18.124 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.872 8.377 18.871 1.00 0.00 O ATOM 192 O5' DC A 7 -5.279 6.329 18.509 1.00 0.00 O ATOM 193 C5' DC A 7 -6.178 5.563 17.739 1.00 0.00 C ATOM 194 C4' DC A 7 -6.501 4.180 18.294 1.00 0.00 C ATOM 195 O4' DC A 7 -5.398 3.318 18.106 1.00 0.00 O ATOM 196 C3' DC A 7 -6.915 4.190 19.767 1.00 0.00 C ATOM 197 O3' DC A 7 -8.098 3.421 19.911 1.00 0.00 O ATOM 198 C2' DC A 7 -5.683 3.585 20.409 1.00 0.00 C ATOM 199 C1' DC A 7 -5.097 2.687 19.327 1.00 0.00 C ATOM 200 N1 DC A 7 -3.620 2.627 19.462 1.00 0.00 N ATOM 201 C2 DC A 7 -2.973 1.418 19.732 1.00 0.00 C ATOM 202 O2 DC A 7 -3.597 0.367 19.861 1.00 0.00 O ATOM 203 N3 DC A 7 -1.612 1.426 19.852 1.00 0.00 N ATOM 204 C4 DC A 7 -0.910 2.564 19.729 1.00 0.00 C ATOM 205 N4 DC A 7 0.422 2.521 19.812 1.00 0.00 N ATOM 206 C5 DC A 7 -1.560 3.809 19.442 1.00 0.00 C ATOM 207 C6 DC A 7 -2.898 3.784 19.303 1.00 0.00 C ATOM 0 H5' DC A 7 -5.764 5.446 16.737 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.109 6.121 17.636 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.365 3.817 17.737 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.168 5.153 20.211 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.974 4.355 20.714 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.939 3.016 21.303 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.499 1.676 19.394 1.00 0.00 H new ATOM 0 H41 DC A 7 0.967 3.379 19.720 1.00 0.00 H new ATOM 0 H42 DC A 7 0.895 1.631 19.967 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.000 4.727 19.342 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.418 4.699 19.060 1.00 0.00 H new ATOM 219 P DG A 8 -8.887 3.284 21.313 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.228 2.723 21.037 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.760 4.556 22.058 1.00 0.00 O ATOM 222 O5' DG A 8 -8.025 2.163 22.080 1.00 0.00 O ATOM 223 C5' DG A 8 -7.893 0.856 21.558 1.00 0.00 C ATOM 224 C4' DG A 8 -6.968 0.010 22.439 1.00 0.00 C ATOM 225 O4' DG A 8 -5.617 0.317 22.137 1.00 0.00 O ATOM 226 C3' DG A 8 -7.158 0.223 23.953 1.00 0.00 C ATOM 227 O3' DG A 8 -7.270 -1.014 24.628 1.00 0.00 O ATOM 228 C2' DG A 8 -5.864 0.920 24.352 1.00 0.00 C ATOM 229 C1' DG A 8 -4.901 0.300 23.350 1.00 0.00 C ATOM 230 N9 DG A 8 -3.614 1.019 23.240 1.00 0.00 N ATOM 231 C8 DG A 8 -3.367 2.369 23.180 1.00 0.00 C ATOM 232 N7 DG A 8 -2.104 2.669 23.037 1.00 0.00 N ATOM 233 C5 DG A 8 -1.464 1.432 23.006 1.00 0.00 C ATOM 234 C6 DG A 8 -0.079 1.106 22.862 1.00 0.00 C ATOM 235 O6 DG A 8 0.872 1.872 22.726 1.00 0.00 O ATOM 236 N1 DG A 8 0.153 -0.269 22.887 1.00 0.00 N ATOM 237 C2 DG A 8 -0.835 -1.222 23.046 1.00 0.00 C ATOM 238 N2 DG A 8 -0.452 -2.502 23.065 1.00 0.00 N ATOM 239 N3 DG A 8 -2.135 -0.919 23.166 1.00 0.00 N ATOM 240 C4 DG A 8 -2.382 0.419 23.136 1.00 0.00 C ATOM 0 H5' DG A 8 -7.495 0.903 20.544 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.874 0.384 21.494 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.226 -1.025 22.217 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.060 0.784 24.198 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.928 2.003 24.251 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.581 0.712 25.384 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.388 -0.854 25.588 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.602 -0.702 23.657 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.146 3.114 23.245 1.00 0.00 H new ATOM 0 H1 DG A 8 1.115 -0.592 22.781 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.146 -3.240 23.180 1.00 0.00 H new ATOM 0 H22 DG A 8 0.535 -2.741 22.964 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.843 -6.662 25.775 1.00 0.00 O ATOM 255 C5' DC B 1 7.320 -6.565 24.450 1.00 0.00 C ATOM 256 C4' DC B 1 6.148 -6.393 23.476 1.00 0.00 C ATOM 257 O4' DC B 1 5.495 -5.148 23.688 1.00 0.00 O ATOM 258 C3' DC B 1 6.609 -6.331 22.012 1.00 0.00 C ATOM 259 O3' DC B 1 6.810 -7.550 21.301 1.00 0.00 O ATOM 260 C2' DC B 1 5.574 -5.388 21.355 1.00 0.00 C ATOM 261 C1' DC B 1 4.725 -4.874 22.530 1.00 0.00 C ATOM 262 N1 DC B 1 4.324 -3.445 22.400 1.00 0.00 N ATOM 263 C2 DC B 1 2.978 -3.060 22.408 1.00 0.00 C ATOM 264 O2 DC B 1 2.073 -3.879 22.544 1.00 0.00 O ATOM 265 N3 DC B 1 2.679 -1.734 22.259 1.00 0.00 N ATOM 266 C4 DC B 1 3.647 -0.816 22.101 1.00 0.00 C ATOM 267 N4 DC B 1 3.311 0.468 21.935 1.00 0.00 N ATOM 268 C5 DC B 1 5.033 -1.188 22.133 1.00 0.00 C ATOM 269 C6 DC B 1 5.302 -2.505 22.288 1.00 0.00 C ATOM 0 H5' DC B 1 7.887 -7.460 24.194 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.002 -5.719 24.362 1.00 0.00 H new ATOM 0 H4' DC B 1 5.502 -7.252 23.656 1.00 0.00 H new ATOM 0 H3' DC B 1 7.639 -5.976 21.975 1.00 0.00 H new ATOM 0 H2' DC B 1 6.062 -4.568 20.828 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.962 -5.917 20.624 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.600 -6.773 26.388 1.00 0.00 H new ATOM 0 H1' DC B 1 3.760 -5.378 22.570 1.00 0.00 H new ATOM 0 H41 DC B 1 4.037 1.174 21.814 1.00 0.00 H new ATOM 0 H42 DC B 1 2.328 0.741 21.929 1.00 0.00 H new ATOM 0 H5 DC B 1 5.820 -0.455 22.038 1.00 0.00 H new ATOM 0 H6 DC B 1 6.334 -2.823 22.324 1.00 0.00 H new ATOM 282 P DG B 2 5.783 -8.811 21.239 1.00 0.00 P ATOM 283 OP1 DG B 2 5.652 -9.372 22.602 1.00 0.00 O ATOM 284 OP2 DG B 2 6.255 -9.691 20.148 1.00 0.00 O ATOM 285 O5' DG B 2 4.345 -8.225 20.779 1.00 0.00 O ATOM 286 C5' DG B 2 3.197 -8.371 21.593 1.00 0.00 C ATOM 287 C4' DG B 2 1.912 -7.939 20.905 1.00 0.00 C ATOM 288 O4' DG B 2 1.822 -6.526 20.934 1.00 0.00 O ATOM 289 C3' DG B 2 1.772 -8.414 19.449 1.00 0.00 C ATOM 290 O3' DG B 2 0.481 -8.980 19.335 1.00 0.00 O ATOM 291 C2' DG B 2 2.007 -7.081 18.739 1.00 0.00 C ATOM 292 C1' DG B 2 1.300 -6.133 19.693 1.00 0.00 C ATOM 293 N9 DG B 2 1.591 -4.711 19.408 1.00 0.00 N ATOM 294 C8 DG B 2 2.765 -4.162 18.963 1.00 0.00 C ATOM 295 N7 DG B 2 2.780 -2.861 18.944 1.00 0.00 N ATOM 296 C5 DG B 2 1.502 -2.513 19.364 1.00 0.00 C ATOM 297 C6 DG B 2 0.917 -1.225 19.540 1.00 0.00 C ATOM 298 O6 DG B 2 1.474 -0.133 19.481 1.00 0.00 O ATOM 299 N1 DG B 2 -0.447 -1.292 19.807 1.00 0.00 N ATOM 300 C2 DG B 2 -1.145 -2.470 19.999 1.00 0.00 C ATOM 301 N2 DG B 2 -2.456 -2.367 20.241 1.00 0.00 N ATOM 302 N3 DG B 2 -0.570 -3.683 19.942 1.00 0.00 N ATOM 303 C4 DG B 2 0.748 -3.639 19.603 1.00 0.00 C ATOM 0 H5' DG B 2 3.328 -7.785 22.503 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.106 -9.414 21.896 1.00 0.00 H new ATOM 0 H4' DG B 2 1.103 -8.413 21.460 1.00 0.00 H new ATOM 0 H3' DG B 2 2.432 -9.185 19.052 1.00 0.00 H new ATOM 0 H2' DG B 2 3.067 -6.849 18.633 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.575 -7.062 17.739 1.00 0.00 H new ATOM 0 H1' DG B 2 0.214 -6.193 19.625 1.00 0.00 H new ATOM 0 H8 DG B 2 3.609 -4.760 18.653 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.965 -0.415 19.865 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.015 -3.207 20.389 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.897 -1.448 20.277 1.00 0.00 H new ATOM 315 P DC B 3 -0.238 -9.295 17.935 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.006 -10.552 18.072 1.00 0.00 O ATOM 317 OP2 DC B 3 0.729 -9.133 16.827 1.00 0.00 O ATOM 318 O5' DC B 3 -1.267 -8.060 17.918 1.00 0.00 O ATOM 319 C5' DC B 3 -2.307 -7.971 18.876 1.00 0.00 C ATOM 320 C4' DC B 3 -3.253 -6.828 18.513 1.00 0.00 C ATOM 321 O4' DC B 3 -2.575 -5.590 18.556 1.00 0.00 O ATOM 322 C3' DC B 3 -3.879 -7.004 17.121 1.00 0.00 C ATOM 323 O3' DC B 3 -5.290 -6.991 17.266 1.00 0.00 O ATOM 324 C2' DC B 3 -3.313 -5.831 16.343 1.00 0.00 C ATOM 325 C1' DC B 3 -2.937 -4.829 17.423 1.00 0.00 C ATOM 326 N1 DC B 3 -1.752 -4.057 16.980 1.00 0.00 N ATOM 327 C2 DC B 3 -1.828 -2.677 16.818 1.00 0.00 C ATOM 328 O2 DC B 3 -2.874 -2.060 17.004 1.00 0.00 O ATOM 329 N3 DC B 3 -0.698 -2.014 16.443 1.00 0.00 N ATOM 330 C4 DC B 3 0.452 -2.659 16.204 1.00 0.00 C ATOM 331 N4 DC B 3 1.541 -1.947 15.902 1.00 0.00 N ATOM 332 C5 DC B 3 0.530 -4.085 16.307 1.00 0.00 C ATOM 333 C6 DC B 3 -0.583 -4.725 16.719 1.00 0.00 C ATOM 0 H5' DC B 3 -1.886 -7.805 19.868 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.857 -8.911 18.916 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.054 -6.844 19.252 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.656 -7.938 16.605 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.447 -6.125 15.750 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.047 -5.418 15.652 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.757 -4.142 17.633 1.00 0.00 H new ATOM 0 H41 DC B 3 2.425 -2.421 15.717 1.00 0.00 H new ATOM 0 H42 DC B 3 1.488 -0.929 15.856 1.00 0.00 H new ATOM 0 H5 DC B 3 1.436 -4.622 16.066 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.553 -5.797 16.847 1.00 0.00 H new ATOM 345 P DT B 4 -6.307 -7.082 16.017 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.649 -7.419 16.541 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.692 -7.926 14.969 1.00 0.00 O ATOM 348 O5' DT B 4 -6.343 -5.561 15.484 1.00 0.00 O ATOM 349 C5' DT B 4 -6.740 -4.489 16.321 1.00 0.00 C ATOM 350 C4' DT B 4 -6.723 -3.164 15.552 1.00 0.00 C ATOM 351 O4' DT B 4 -5.382 -2.760 15.344 1.00 0.00 O ATOM 352 C3' DT B 4 -7.421 -3.252 14.190 1.00 0.00 C ATOM 353 O3' DT B 4 -8.490 -2.328 14.098 1.00 0.00 O ATOM 354 C2' DT B 4 -6.285 -2.963 13.208 1.00 0.00 C ATOM 355 C1' DT B 4 -5.263 -2.208 14.050 1.00 0.00 C ATOM 356 N1 DT B 4 -3.855 -2.361 13.582 1.00 0.00 N ATOM 357 C2 DT B 4 -3.074 -1.215 13.439 1.00 0.00 C ATOM 358 O2 DT B 4 -3.535 -0.077 13.450 1.00 0.00 O ATOM 359 N3 DT B 4 -1.712 -1.418 13.279 1.00 0.00 N ATOM 360 C4 DT B 4 -1.061 -2.642 13.231 1.00 0.00 C ATOM 361 O4 DT B 4 0.160 -2.678 13.100 1.00 0.00 O ATOM 362 C5 DT B 4 -1.944 -3.791 13.348 1.00 0.00 C ATOM 363 C7 DT B 4 -1.367 -5.201 13.347 1.00 0.00 C ATOM 364 C6 DT B 4 -3.280 -3.610 13.507 1.00 0.00 C ATOM 0 H5' DT B 4 -6.071 -4.425 17.180 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.741 -4.676 16.710 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.269 -2.441 16.158 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.895 -4.214 13.996 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.866 -3.882 12.799 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.628 -2.365 12.363 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.468 -1.139 13.996 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.131 -0.585 13.187 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.005 -5.855 13.941 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.318 -5.573 12.324 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.365 -5.184 13.775 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.917 -4.479 13.577 1.00 0.00 H new ATOM 377 P DA B 5 -9.399 -2.208 12.765 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.734 -1.701 13.153 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.285 -3.465 11.992 1.00 0.00 O ATOM 380 O5' DA B 5 -8.625 -1.047 11.957 1.00 0.00 O ATOM 381 C5' DA B 5 -8.704 0.293 12.392 1.00 0.00 C ATOM 382 C4' DA B 5 -7.826 1.246 11.584 1.00 0.00 C ATOM 383 O4' DA B 5 -6.493 0.784 11.656 1.00 0.00 O ATOM 384 C3' DA B 5 -8.270 1.282 10.104 1.00 0.00 C ATOM 385 O3' DA B 5 -8.163 2.510 9.402 1.00 0.00 O ATOM 386 C2' DA B 5 -7.218 0.390 9.489 1.00 0.00 C ATOM 387 C1' DA B 5 -6.005 0.784 10.342 1.00 0.00 C ATOM 388 N9 DA B 5 -4.880 -0.156 10.209 1.00 0.00 N ATOM 389 C8 DA B 5 -4.912 -1.517 10.101 1.00 0.00 C ATOM 390 N7 DA B 5 -3.730 -2.078 10.063 1.00 0.00 N ATOM 391 C5 DA B 5 -2.849 -1.000 10.143 1.00 0.00 C ATOM 392 C6 DA B 5 -1.438 -0.879 10.151 1.00 0.00 C ATOM 393 N6 DA B 5 -0.598 -1.919 10.095 1.00 0.00 N ATOM 394 N1 DA B 5 -0.905 0.356 10.227 1.00 0.00 N ATOM 395 C2 DA B 5 -1.715 1.408 10.308 1.00 0.00 C ATOM 396 N3 DA B 5 -3.039 1.429 10.336 1.00 0.00 N ATOM 397 C4 DA B 5 -3.552 0.176 10.243 1.00 0.00 C ATOM 0 H5' DA B 5 -8.413 0.344 13.441 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.740 0.626 12.332 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.914 2.252 11.993 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.329 1.030 10.049 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.464 -0.668 9.578 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.066 0.594 8.429 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.602 1.747 10.029 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.832 -2.081 10.051 1.00 0.00 H new ATOM 0 H61 DA B 5 0.410 -1.762 10.105 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.965 -2.869 10.043 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.229 2.371 10.357 1.00 0.00 H new ATOM 409 P DG B 6 -8.769 3.887 9.951 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.757 3.588 11.012 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.154 4.739 8.805 1.00 0.00 O ATOM 412 O5' DG B 6 -7.429 4.463 10.630 1.00 0.00 O ATOM 413 C5' DG B 6 -6.615 5.455 10.031 1.00 0.00 C ATOM 414 C4' DG B 6 -5.676 5.060 8.869 1.00 0.00 C ATOM 415 O4' DG B 6 -4.919 3.855 8.970 1.00 0.00 O ATOM 416 C3' DG B 6 -6.178 5.151 7.414 1.00 0.00 C ATOM 417 O3' DG B 6 -5.912 6.456 6.920 1.00 0.00 O ATOM 418 C2' DG B 6 -5.453 3.995 6.727 1.00 0.00 C ATOM 419 C1' DG B 6 -4.332 3.647 7.686 1.00 0.00 C ATOM 420 N9 DG B 6 -3.733 2.316 7.420 1.00 0.00 N ATOM 421 C8 DG B 6 -4.317 1.108 7.118 1.00 0.00 C ATOM 422 N7 DG B 6 -3.473 0.133 6.938 1.00 0.00 N ATOM 423 C5 DG B 6 -2.235 0.741 7.081 1.00 0.00 C ATOM 424 C6 DG B 6 -0.927 0.188 6.985 1.00 0.00 C ATOM 425 O6 DG B 6 -0.624 -0.994 6.861 1.00 0.00 O ATOM 426 N1 DG B 6 0.066 1.161 7.048 1.00 0.00 N ATOM 427 C2 DG B 6 -0.165 2.508 7.246 1.00 0.00 C ATOM 428 N2 DG B 6 0.892 3.325 7.263 1.00 0.00 N ATOM 429 N3 DG B 6 -1.394 3.018 7.401 1.00 0.00 N ATOM 430 C4 DG B 6 -2.383 2.087 7.303 1.00 0.00 C ATOM 0 H5' DG B 6 -5.999 5.892 10.817 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.273 6.244 9.667 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.027 5.914 9.064 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.251 5.039 7.255 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.118 3.147 6.565 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.067 4.289 5.751 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.442 4.268 7.582 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.386 0.979 7.037 1.00 0.00 H new ATOM 0 H1 DG B 6 1.034 0.857 6.940 1.00 0.00 H new ATOM 0 H21 DG B 6 0.760 4.326 7.407 1.00 0.00 H new ATOM 0 H22 DG B 6 1.830 2.947 7.132 1.00 0.00 H new ATOM 442 P DC B 7 -5.900 6.857 5.352 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.249 8.291 5.238 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.660 5.851 4.577 1.00 0.00 O ATOM 445 O5' DC B 7 -4.326 6.694 5.020 1.00 0.00 O ATOM 446 C5' DC B 7 -3.367 7.335 5.840 1.00 0.00 C ATOM 447 C4' DC B 7 -1.937 7.293 5.294 1.00 0.00 C ATOM 448 O4' DC B 7 -1.384 5.998 5.461 1.00 0.00 O ATOM 449 C3' DC B 7 -1.826 7.731 3.837 1.00 0.00 C ATOM 450 O3' DC B 7 -0.724 8.615 3.695 1.00 0.00 O ATOM 451 C2' DC B 7 -1.635 6.381 3.195 1.00 0.00 C ATOM 452 C1' DC B 7 -0.863 5.560 4.226 1.00 0.00 C ATOM 453 N1 DC B 7 -1.155 4.110 4.067 1.00 0.00 N ATOM 454 C2 DC B 7 -0.136 3.161 3.920 1.00 0.00 C ATOM 455 O2 DC B 7 1.049 3.485 3.871 1.00 0.00 O ATOM 456 N3 DC B 7 -0.492 1.842 3.831 1.00 0.00 N ATOM 457 C4 DC B 7 -1.782 1.464 3.885 1.00 0.00 C ATOM 458 N4 DC B 7 -2.092 0.168 3.814 1.00 0.00 N ATOM 459 C5 DC B 7 -2.831 2.424 4.057 1.00 0.00 C ATOM 460 C6 DC B 7 -2.461 3.713 4.148 1.00 0.00 C ATOM 0 H5' DC B 7 -3.380 6.869 6.825 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.661 8.376 5.975 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.367 8.017 5.876 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.656 8.292 3.408 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.593 5.917 2.958 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.081 6.463 2.260 1.00 0.00 H new ATOM 0 H1' DC B 7 0.215 5.687 4.131 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.068 -0.126 3.854 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.353 -0.529 3.719 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.868 2.127 4.111 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.224 4.464 4.291 1.00 0.00 H new ATOM 472 P DG B 8 -0.332 9.311 2.290 1.00 0.00 P ATOM 473 OP1 DG B 8 0.556 10.460 2.575 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.566 9.513 1.499 1.00 0.00 O ATOM 475 O5' DG B 8 0.544 8.167 1.573 1.00 0.00 O ATOM 476 C5' DG B 8 1.772 7.732 2.123 1.00 0.00 C ATOM 477 C4' DG B 8 2.357 6.588 1.291 1.00 0.00 C ATOM 478 O4' DG B 8 1.636 5.397 1.560 1.00 0.00 O ATOM 479 C3' DG B 8 2.304 6.830 -0.229 1.00 0.00 C ATOM 480 O3' DG B 8 3.549 6.544 -0.835 1.00 0.00 O ATOM 481 C2' DG B 8 1.254 5.818 -0.676 1.00 0.00 C ATOM 482 C1' DG B 8 1.493 4.709 0.340 1.00 0.00 C ATOM 483 N9 DG B 8 0.415 3.697 0.403 1.00 0.00 N ATOM 484 C8 DG B 8 -0.949 3.865 0.380 1.00 0.00 C ATOM 485 N7 DG B 8 -1.621 2.753 0.508 1.00 0.00 N ATOM 486 C5 DG B 8 -0.638 1.773 0.616 1.00 0.00 C ATOM 487 C6 DG B 8 -0.754 0.356 0.772 1.00 0.00 C ATOM 488 O6 DG B 8 -1.778 -0.318 0.853 1.00 0.00 O ATOM 489 N1 DG B 8 0.486 -0.278 0.831 1.00 0.00 N ATOM 490 C2 DG B 8 1.700 0.374 0.736 1.00 0.00 C ATOM 491 N2 DG B 8 2.804 -0.379 0.770 1.00 0.00 N ATOM 492 N3 DG B 8 1.811 1.704 0.602 1.00 0.00 N ATOM 493 C4 DG B 8 0.610 2.344 0.550 1.00 0.00 C ATOM 0 H5' DG B 8 1.620 7.401 3.151 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.477 8.563 2.156 1.00 0.00 H new ATOM 0 H4' DG B 8 3.406 6.515 1.579 1.00 0.00 H new ATOM 0 H3' DG B 8 2.075 7.862 -0.497 1.00 0.00 H new ATOM 0 H2' DG B 8 0.242 6.219 -0.623 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.410 5.483 -1.701 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.488 6.704 -1.800 1.00 0.00 H new ATOM 0 H1' DG B 8 2.366 4.115 0.070 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.422 4.829 0.266 1.00 0.00 H new ATOM 0 H1 DG B 8 0.498 -1.291 0.952 1.00 0.00 H new ATOM 0 H21 DG B 8 3.723 0.059 0.703 1.00 0.00 H new ATOM 0 H22 DG B 8 2.728 -1.392 0.863 1.00 0.00 H new TER 506 DG B 8