USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -1.35 (180deg=-1.35) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.934 (180deg=-0.932) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.559 (180deg=-0.559) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.214 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.509 4.542 -8.372 1.00 0.00 P ATOM 2 OP1 DT A 1 5.668 5.058 -9.744 1.00 0.00 O ATOM 3 OP2 DT A 1 4.358 3.671 -8.046 1.00 0.00 O ATOM 4 O5' DT A 1 6.831 3.723 -8.020 1.00 0.00 O ATOM 5 C5' DT A 1 7.141 2.494 -8.649 1.00 0.00 C ATOM 6 C4' DT A 1 8.616 2.142 -8.369 1.00 0.00 C ATOM 7 O4' DT A 1 9.425 2.958 -9.212 1.00 0.00 O ATOM 8 C3' DT A 1 9.058 2.434 -6.924 1.00 0.00 C ATOM 9 O3' DT A 1 10.057 1.558 -6.443 1.00 0.00 O ATOM 10 C2' DT A 1 9.680 3.806 -7.024 1.00 0.00 C ATOM 11 C1' DT A 1 10.286 3.757 -8.419 1.00 0.00 C ATOM 12 N1 DT A 1 10.404 5.121 -8.987 1.00 0.00 N ATOM 13 C2 DT A 1 11.669 5.681 -9.073 1.00 0.00 C ATOM 14 O2 DT A 1 12.691 5.124 -8.694 1.00 0.00 O ATOM 15 N3 DT A 1 11.755 6.939 -9.611 1.00 0.00 N ATOM 16 C4 DT A 1 10.700 7.696 -10.057 1.00 0.00 C ATOM 17 O4 DT A 1 10.933 8.807 -10.517 1.00 0.00 O ATOM 18 C5 DT A 1 9.395 7.069 -9.916 1.00 0.00 C ATOM 19 C7 DT A 1 8.126 7.800 -10.335 1.00 0.00 C ATOM 20 C6 DT A 1 9.293 5.823 -9.393 1.00 0.00 C ATOM 0 H5' DT A 1 6.969 2.567 -9.723 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.489 1.705 -8.275 1.00 0.00 H new ATOM 0 H4' DT A 1 8.726 1.072 -8.548 1.00 0.00 H new ATOM 0 H3' DT A 1 8.210 2.333 -6.246 1.00 0.00 H new ATOM 0 H2' DT A 1 8.941 4.601 -6.925 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.433 3.973 -6.254 1.00 0.00 H new ATOM 0 H1' DT A 1 11.291 3.335 -8.391 1.00 0.00 H new ATOM 0 H3 DT A 1 12.686 7.349 -9.687 1.00 0.00 H new ATOM 0 H71 DT A 1 7.380 7.076 -10.661 1.00 0.00 H new ATOM 0 H72 DT A 1 7.737 8.367 -9.489 1.00 0.00 H new ATOM 0 H73 DT A 1 8.353 8.481 -11.155 1.00 0.00 H new ATOM 0 H6 DT A 1 8.317 5.371 -9.293 1.00 0.00 H new ATOM 33 P DG A 2 9.620 0.204 -5.729 1.00 0.00 P ATOM 34 OP1 DG A 2 10.732 -0.385 -4.936 1.00 0.00 O ATOM 35 OP2 DG A 2 8.886 -0.648 -6.682 1.00 0.00 O ATOM 36 O5' DG A 2 8.551 0.772 -4.689 1.00 0.00 O ATOM 37 C5' DG A 2 8.846 1.752 -3.714 1.00 0.00 C ATOM 38 C4' DG A 2 8.359 1.242 -2.363 1.00 0.00 C ATOM 39 O4' DG A 2 6.983 1.519 -2.257 1.00 0.00 O ATOM 40 C3' DG A 2 8.567 -0.258 -2.247 1.00 0.00 C ATOM 41 O3' DG A 2 9.003 -0.525 -0.940 1.00 0.00 O ATOM 42 C2' DG A 2 7.205 -0.820 -2.655 1.00 0.00 C ATOM 43 C1' DG A 2 6.239 0.336 -2.395 1.00 0.00 C ATOM 44 N9 DG A 2 5.258 0.524 -3.476 1.00 0.00 N ATOM 45 C8 DG A 2 5.435 0.575 -4.842 1.00 0.00 C ATOM 46 N7 DG A 2 4.339 0.831 -5.503 1.00 0.00 N ATOM 47 C5 DG A 2 3.385 1.001 -4.499 1.00 0.00 C ATOM 48 C6 DG A 2 2.018 1.385 -4.569 1.00 0.00 C ATOM 49 O6 DG A 2 1.395 1.681 -5.587 1.00 0.00 O ATOM 50 N1 DG A 2 1.400 1.463 -3.345 1.00 0.00 N ATOM 51 C2 DG A 2 2.042 1.241 -2.167 1.00 0.00 C ATOM 52 N2 DG A 2 1.333 1.329 -1.069 1.00 0.00 N ATOM 53 N3 DG A 2 3.328 0.933 -2.061 1.00 0.00 N ATOM 54 C4 DG A 2 3.942 0.830 -3.263 1.00 0.00 C ATOM 0 H5' DG A 2 8.358 2.694 -3.963 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.918 1.946 -3.683 1.00 0.00 H new ATOM 0 H4' DG A 2 8.921 1.734 -1.570 1.00 0.00 H new ATOM 0 H3' DG A 2 9.332 -0.716 -2.874 1.00 0.00 H new ATOM 0 H2' DG A 2 7.195 -1.122 -3.702 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.943 -1.700 -2.067 1.00 0.00 H new ATOM 0 H1' DG A 2 5.683 0.096 -1.489 1.00 0.00 H new ATOM 0 H8 DG A 2 6.390 0.418 -5.320 1.00 0.00 H new ATOM 0 H1 DG A 2 0.408 1.700 -3.318 1.00 0.00 H new ATOM 0 H21 DG A 2 1.774 1.170 -0.163 1.00 0.00 H new ATOM 0 H22 DG A 2 0.340 1.556 -1.120 1.00 0.00 H new ATOM 66 P DC A 3 9.458 -1.983 -0.539 1.00 0.00 P ATOM 67 OP1 DC A 3 10.147 -1.813 0.768 1.00 0.00 O ATOM 68 OP2 DC A 3 10.153 -2.592 -1.697 1.00 0.00 O ATOM 69 O5' DC A 3 8.065 -2.674 -0.235 1.00 0.00 O ATOM 70 C5' DC A 3 7.222 -2.053 0.718 1.00 0.00 C ATOM 71 C4' DC A 3 5.800 -2.577 0.787 1.00 0.00 C ATOM 72 O4' DC A 3 5.121 -1.984 -0.291 1.00 0.00 O ATOM 73 C3' DC A 3 5.648 -4.088 0.616 1.00 0.00 C ATOM 74 O3' DC A 3 5.366 -4.753 1.819 1.00 0.00 O ATOM 75 C2' DC A 3 4.409 -4.191 -0.250 1.00 0.00 C ATOM 76 C1' DC A 3 3.980 -2.751 -0.494 1.00 0.00 C ATOM 77 N1 DC A 3 3.560 -2.548 -1.883 1.00 0.00 N ATOM 78 C2 DC A 3 2.322 -2.001 -2.121 1.00 0.00 C ATOM 79 O2 DC A 3 1.629 -1.626 -1.187 1.00 0.00 O ATOM 80 N3 DC A 3 1.870 -1.875 -3.395 1.00 0.00 N ATOM 81 C4 DC A 3 2.650 -2.280 -4.385 1.00 0.00 C ATOM 82 N4 DC A 3 2.161 -2.144 -5.594 1.00 0.00 N ATOM 83 C5 DC A 3 3.952 -2.819 -4.177 1.00 0.00 C ATOM 84 C6 DC A 3 4.366 -2.922 -2.908 1.00 0.00 C ATOM 0 H5' DC A 3 7.185 -0.986 0.501 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.677 -2.162 1.702 1.00 0.00 H new ATOM 0 H4' DC A 3 5.419 -2.339 1.780 1.00 0.00 H new ATOM 0 H3' DC A 3 6.562 -4.532 0.221 1.00 0.00 H new ATOM 0 H2' DC A 3 4.624 -4.703 -1.188 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.624 -4.758 0.250 1.00 0.00 H new ATOM 0 H1' DC A 3 3.148 -2.490 0.160 1.00 0.00 H new ATOM 0 H41 DC A 3 2.710 -2.436 -6.402 1.00 0.00 H new ATOM 0 H42 DC A 3 1.231 -1.746 -5.726 1.00 0.00 H new ATOM 0 H5 DC A 3 4.575 -3.129 -5.003 1.00 0.00 H new ATOM 0 H6 DC A 3 5.353 -3.307 -2.698 1.00 0.00 H new ATOM 96 P DT A 4 6.529 -5.329 2.739 1.00 0.00 P ATOM 97 OP1 DT A 4 7.731 -4.464 2.648 1.00 0.00 O ATOM 98 OP2 DT A 4 6.656 -6.777 2.458 1.00 0.00 O ATOM 99 O5' DT A 4 5.879 -5.182 4.186 1.00 0.00 O ATOM 100 C5' DT A 4 5.888 -3.949 4.877 1.00 0.00 C ATOM 101 C4' DT A 4 5.089 -4.043 6.189 1.00 0.00 C ATOM 102 O4' DT A 4 3.742 -3.707 5.901 1.00 0.00 O ATOM 103 C3' DT A 4 5.091 -5.452 6.823 1.00 0.00 C ATOM 104 O3' DT A 4 5.104 -5.631 8.234 1.00 0.00 O ATOM 105 C2' DT A 4 3.770 -6.018 6.326 1.00 0.00 C ATOM 106 C1' DT A 4 2.894 -4.769 6.288 1.00 0.00 C ATOM 107 N1 DT A 4 1.778 -4.904 5.327 1.00 0.00 N ATOM 108 C2 DT A 4 0.567 -5.368 5.816 1.00 0.00 C ATOM 109 O2 DT A 4 0.388 -5.716 6.976 1.00 0.00 O ATOM 110 N3 DT A 4 -0.467 -5.458 4.922 1.00 0.00 N ATOM 111 C4 DT A 4 -0.409 -5.124 3.594 1.00 0.00 C ATOM 112 O4 DT A 4 -1.422 -5.235 2.913 1.00 0.00 O ATOM 113 C5 DT A 4 0.892 -4.662 3.136 1.00 0.00 C ATOM 114 C7 DT A 4 1.095 -4.291 1.679 1.00 0.00 C ATOM 115 C6 DT A 4 1.931 -4.566 4.004 1.00 0.00 C ATOM 0 H5' DT A 4 5.463 -3.171 4.244 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.916 -3.658 5.094 1.00 0.00 H new ATOM 0 H4' DT A 4 5.563 -3.366 6.900 1.00 0.00 H new ATOM 0 H3' DT A 4 6.040 -5.908 6.542 1.00 0.00 H new ATOM 0 H2' DT A 4 3.866 -6.481 5.344 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.371 -6.778 6.998 1.00 0.00 H new ATOM 0 H1' DT A 4 2.439 -4.597 7.263 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.359 -5.804 5.276 1.00 0.00 H new ATOM 0 H71 DT A 4 1.859 -3.517 1.604 1.00 0.00 H new ATOM 0 H72 DT A 4 1.414 -5.171 1.121 1.00 0.00 H new ATOM 0 H73 DT A 4 0.158 -3.918 1.265 1.00 0.00 H new ATOM 0 H6 DT A 4 2.891 -4.219 3.650 1.00 0.00 H new ATOM 128 P DC A 5 4.877 -4.501 9.351 1.00 0.00 P ATOM 129 OP1 DC A 5 4.651 -5.174 10.651 1.00 0.00 O ATOM 130 OP2 DC A 5 3.936 -3.462 8.889 1.00 0.00 O ATOM 131 O5' DC A 5 6.267 -3.754 9.417 1.00 0.00 O ATOM 132 C5' DC A 5 7.444 -4.374 9.883 1.00 0.00 C ATOM 133 C4' DC A 5 8.518 -3.313 9.750 1.00 0.00 C ATOM 134 O4' DC A 5 9.734 -3.737 10.343 1.00 0.00 O ATOM 135 C3' DC A 5 8.827 -3.104 8.268 1.00 0.00 C ATOM 136 O3' DC A 5 9.238 -1.786 8.017 1.00 0.00 O ATOM 137 C2' DC A 5 9.955 -4.096 8.012 1.00 0.00 C ATOM 138 C1' DC A 5 10.426 -4.536 9.402 1.00 0.00 C ATOM 139 N1 DC A 5 11.888 -4.400 9.570 1.00 0.00 N ATOM 140 C2 DC A 5 12.645 -5.524 9.868 1.00 0.00 C ATOM 141 O2 DC A 5 12.122 -6.627 9.977 1.00 0.00 O ATOM 142 N3 DC A 5 13.984 -5.397 10.030 1.00 0.00 N ATOM 143 C4 DC A 5 14.548 -4.213 9.902 1.00 0.00 C ATOM 144 N4 DC A 5 15.849 -4.167 10.067 1.00 0.00 N ATOM 145 C5 DC A 5 13.815 -3.037 9.584 1.00 0.00 C ATOM 146 C6 DC A 5 12.482 -3.180 9.430 1.00 0.00 C ATOM 0 H5' DC A 5 7.686 -5.258 9.293 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.336 -4.701 10.917 1.00 0.00 H new ATOM 0 H4' DC A 5 8.150 -2.409 10.236 1.00 0.00 H new ATOM 0 H3' DC A 5 7.964 -3.261 7.621 1.00 0.00 H new ATOM 0 H2' DC A 5 9.606 -4.947 7.427 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.766 -3.634 7.449 1.00 0.00 H new ATOM 0 H1' DC A 5 10.210 -5.595 9.546 1.00 0.00 H new ATOM 0 H41 DC A 5 16.343 -3.279 9.980 1.00 0.00 H new ATOM 0 H42 DC A 5 16.366 -5.019 10.282 1.00 0.00 H new ATOM 0 H5 DC A 5 14.300 -2.079 9.471 1.00 0.00 H new ATOM 0 H6 DC A 5 11.877 -2.317 9.193 1.00 0.00 H new ATOM 158 P DG A 6 8.142 -0.658 7.699 1.00 0.00 P ATOM 159 OP1 DG A 6 8.795 0.660 7.649 1.00 0.00 O ATOM 160 OP2 DG A 6 6.929 -0.871 8.533 1.00 0.00 O ATOM 161 O5' DG A 6 7.682 -1.034 6.217 1.00 0.00 O ATOM 162 C5' DG A 6 8.599 -1.252 5.174 1.00 0.00 C ATOM 163 C4' DG A 6 8.131 -0.564 3.892 1.00 0.00 C ATOM 164 O4' DG A 6 6.806 -0.975 3.630 1.00 0.00 O ATOM 165 C3' DG A 6 8.204 0.965 3.911 1.00 0.00 C ATOM 166 O3' DG A 6 8.758 1.322 2.660 1.00 0.00 O ATOM 167 C2' DG A 6 6.742 1.364 4.093 1.00 0.00 C ATOM 168 C1' DG A 6 5.942 0.135 3.649 1.00 0.00 C ATOM 169 N9 DG A 6 4.826 -0.159 4.562 1.00 0.00 N ATOM 170 C8 DG A 6 4.805 -0.169 5.928 1.00 0.00 C ATOM 171 N7 DG A 6 3.679 -0.568 6.456 1.00 0.00 N ATOM 172 C5 DG A 6 2.879 -0.823 5.330 1.00 0.00 C ATOM 173 C6 DG A 6 1.526 -1.272 5.194 1.00 0.00 C ATOM 174 O6 DG A 6 0.727 -1.595 6.066 1.00 0.00 O ATOM 175 N1 DG A 6 1.106 -1.345 3.883 1.00 0.00 N ATOM 176 C2 DG A 6 1.896 -1.069 2.816 1.00 0.00 C ATOM 177 N2 DG A 6 1.356 -1.160 1.626 1.00 0.00 N ATOM 178 N3 DG A 6 3.162 -0.697 2.899 1.00 0.00 N ATOM 179 C4 DG A 6 3.585 -0.582 4.179 1.00 0.00 C ATOM 0 H5' DG A 6 8.711 -2.322 4.999 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.580 -0.872 5.460 1.00 0.00 H new ATOM 0 H4' DG A 6 8.822 -0.868 3.106 1.00 0.00 H new ATOM 0 H3' DG A 6 8.810 1.444 4.680 1.00 0.00 H new ATOM 0 H2' DG A 6 6.528 1.621 5.130 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.492 2.237 3.490 1.00 0.00 H new ATOM 0 H1' DG A 6 5.526 0.340 2.663 1.00 0.00 H new ATOM 0 H8 DG A 6 5.654 0.130 6.525 1.00 0.00 H new ATOM 0 H1 DG A 6 0.141 -1.624 3.705 1.00 0.00 H new ATOM 0 H21 DG A 6 1.914 -0.961 0.796 1.00 0.00 H new ATOM 0 H22 DG A 6 0.377 -1.430 1.529 1.00 0.00 H new ATOM 191 P DC A 7 9.003 2.836 2.223 1.00 0.00 P ATOM 192 OP1 DC A 7 9.848 2.740 1.002 1.00 0.00 O ATOM 193 OP2 DC A 7 9.442 3.652 3.358 1.00 0.00 O ATOM 194 O5' DC A 7 7.595 3.330 1.692 1.00 0.00 O ATOM 195 C5' DC A 7 7.012 2.644 0.606 1.00 0.00 C ATOM 196 C4' DC A 7 5.570 3.026 0.339 1.00 0.00 C ATOM 197 O4' DC A 7 4.826 2.375 1.332 1.00 0.00 O ATOM 198 C3' DC A 7 5.251 4.519 0.466 1.00 0.00 C ATOM 199 O3' DC A 7 5.018 5.127 -0.778 1.00 0.00 O ATOM 200 C2' DC A 7 3.932 4.520 1.206 1.00 0.00 C ATOM 201 C1' DC A 7 3.610 3.044 1.371 1.00 0.00 C ATOM 202 N1 DC A 7 3.024 2.782 2.686 1.00 0.00 N ATOM 203 C2 DC A 7 1.814 2.141 2.742 1.00 0.00 C ATOM 204 O2 DC A 7 1.280 1.763 1.709 1.00 0.00 O ATOM 205 N3 DC A 7 1.217 1.926 3.939 1.00 0.00 N ATOM 206 C4 DC A 7 1.829 2.340 5.039 1.00 0.00 C ATOM 207 N4 DC A 7 1.222 2.080 6.170 1.00 0.00 N ATOM 208 C5 DC A 7 3.086 3.010 5.018 1.00 0.00 C ATOM 209 C6 DC A 7 3.648 3.196 3.817 1.00 0.00 C ATOM 0 H5' DC A 7 7.064 1.572 0.796 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.601 2.837 -0.291 1.00 0.00 H new ATOM 0 H4' DC A 7 5.344 2.751 -0.691 1.00 0.00 H new ATOM 0 H3' DC A 7 6.073 5.055 0.941 1.00 0.00 H new ATOM 0 H2' DC A 7 4.014 5.022 2.170 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.157 5.038 0.642 1.00 0.00 H new ATOM 0 H1' DC A 7 2.911 2.728 0.596 1.00 0.00 H new ATOM 0 H41 DC A 7 1.641 2.372 7.053 1.00 0.00 H new ATOM 0 H42 DC A 7 0.330 1.585 6.168 1.00 0.00 H new ATOM 0 H5 DC A 7 3.562 3.351 5.926 1.00 0.00 H new ATOM 0 H6 DC A 7 4.610 3.682 3.748 1.00 0.00 H new ATOM 221 P DT A 8 6.194 5.841 -1.580 1.00 0.00 P ATOM 222 OP1 DT A 8 7.452 5.080 -1.355 1.00 0.00 O ATOM 223 OP2 DT A 8 6.159 7.279 -1.262 1.00 0.00 O ATOM 224 O5' DT A 8 5.695 5.620 -3.088 1.00 0.00 O ATOM 225 C5' DT A 8 6.051 4.462 -3.812 1.00 0.00 C ATOM 226 C4' DT A 8 5.373 4.409 -5.194 1.00 0.00 C ATOM 227 O4' DT A 8 4.018 3.982 -5.072 1.00 0.00 O ATOM 228 C3' DT A 8 5.376 5.761 -5.937 1.00 0.00 C ATOM 229 O3' DT A 8 5.561 5.795 -7.352 1.00 0.00 O ATOM 230 C2' DT A 8 3.989 6.285 -5.605 1.00 0.00 C ATOM 231 C1' DT A 8 3.163 5.008 -5.547 1.00 0.00 C ATOM 232 N1 DT A 8 1.971 5.147 -4.681 1.00 0.00 N ATOM 233 C2 DT A 8 0.788 5.545 -5.285 1.00 0.00 C ATOM 234 O2 DT A 8 0.678 5.784 -6.480 1.00 0.00 O ATOM 235 N3 DT A 8 -0.313 5.657 -4.480 1.00 0.00 N ATOM 236 C4 DT A 8 -0.349 5.393 -3.136 1.00 0.00 C ATOM 237 O4 DT A 8 -1.409 5.534 -2.538 1.00 0.00 O ATOM 238 C5 DT A 8 0.913 4.951 -2.565 1.00 0.00 C ATOM 239 C7 DT A 8 0.988 4.578 -1.096 1.00 0.00 C ATOM 240 C6 DT A 8 2.024 4.854 -3.340 1.00 0.00 C ATOM 0 H5' DT A 8 5.773 3.577 -3.239 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.133 4.433 -3.939 1.00 0.00 H new ATOM 0 H4' DT A 8 5.962 3.700 -5.775 1.00 0.00 H new ATOM 0 H3' DT A 8 6.250 6.326 -5.613 1.00 0.00 H new ATOM 0 H2' DT A 8 3.974 6.822 -4.657 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.621 6.973 -6.367 1.00 0.00 H new ATOM 0 H1' DT A 8 2.780 4.773 -6.540 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.182 5.963 -4.918 1.00 0.00 H new ATOM 0 H71 DT A 8 1.754 3.816 -0.953 1.00 0.00 H new ATOM 0 H72 DT A 8 1.240 5.461 -0.509 1.00 0.00 H new ATOM 0 H73 DT A 8 0.024 4.189 -0.770 1.00 0.00 H new ATOM 0 H6 DT A 8 2.959 4.543 -2.897 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -3.938 -3.877 -9.444 1.00 0.00 P ATOM 255 OP1 DT B 1 -3.910 -4.371 -10.832 1.00 0.00 O ATOM 256 OP2 DT B 1 -2.770 -3.149 -8.898 1.00 0.00 O ATOM 257 O5' DT B 1 -5.166 -2.870 -9.323 1.00 0.00 O ATOM 258 C5' DT B 1 -5.066 -1.546 -9.807 1.00 0.00 C ATOM 259 C4' DT B 1 -6.446 -0.872 -9.783 1.00 0.00 C ATOM 260 O4' DT B 1 -7.180 -1.310 -10.922 1.00 0.00 O ATOM 261 C3' DT B 1 -7.297 -1.204 -8.543 1.00 0.00 C ATOM 262 O3' DT B 1 -8.072 -0.066 -8.231 1.00 0.00 O ATOM 263 C2' DT B 1 -8.162 -2.343 -9.054 1.00 0.00 C ATOM 264 C1' DT B 1 -8.385 -1.923 -10.500 1.00 0.00 C ATOM 265 N1 DT B 1 -8.680 -3.093 -11.357 1.00 0.00 N ATOM 266 C2 DT B 1 -9.959 -3.209 -11.880 1.00 0.00 C ATOM 267 O2 DT B 1 -10.866 -2.417 -11.664 1.00 0.00 O ATOM 268 N3 DT B 1 -10.199 -4.287 -12.692 1.00 0.00 N ATOM 269 C4 DT B 1 -9.289 -5.256 -13.032 1.00 0.00 C ATOM 270 O4 DT B 1 -9.648 -6.161 -13.776 1.00 0.00 O ATOM 271 C5 DT B 1 -7.967 -5.086 -12.449 1.00 0.00 C ATOM 272 C7 DT B 1 -6.859 -6.093 -12.733 1.00 0.00 C ATOM 273 C6 DT B 1 -7.711 -4.028 -11.642 1.00 0.00 C ATOM 0 H5' DT B 1 -4.672 -1.550 -10.823 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.364 -0.979 -9.196 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.257 0.201 -9.771 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.743 -1.470 -7.642 1.00 0.00 H new ATOM 0 H2' DT B 1 -7.659 -3.307 -8.979 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.098 -2.428 -8.502 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.236 -1.247 -10.578 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.139 -4.377 -13.078 1.00 0.00 H new ATOM 0 H71 DT B 1 -5.893 -5.590 -12.698 1.00 0.00 H new ATOM 0 H72 DT B 1 -6.885 -6.883 -11.983 1.00 0.00 H new ATOM 0 H73 DT B 1 -7.006 -6.527 -13.722 1.00 0.00 H new ATOM 0 H6 DT B 1 -6.726 -3.916 -11.213 1.00 0.00 H new ATOM 286 P DG B 2 -8.923 0.016 -6.879 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.058 -0.921 -6.945 1.00 0.00 O ATOM 288 OP2 DG B 2 -9.175 1.450 -6.578 1.00 0.00 O ATOM 289 O5' DG B 2 -7.858 -0.522 -5.802 1.00 0.00 O ATOM 290 C5' DG B 2 -8.226 -1.350 -4.714 1.00 0.00 C ATOM 291 C4' DG B 2 -7.875 -0.690 -3.382 1.00 0.00 C ATOM 292 O4' DG B 2 -6.514 -0.990 -3.171 1.00 0.00 O ATOM 293 C3' DG B 2 -8.079 0.823 -3.393 1.00 0.00 C ATOM 294 O3' DG B 2 -8.688 1.253 -2.194 1.00 0.00 O ATOM 295 C2' DG B 2 -6.661 1.340 -3.637 1.00 0.00 C ATOM 296 C1' DG B 2 -5.746 0.178 -3.238 1.00 0.00 C ATOM 297 N9 DG B 2 -4.637 -0.023 -4.186 1.00 0.00 N ATOM 298 C8 DG B 2 -4.638 -0.028 -5.561 1.00 0.00 C ATOM 299 N7 DG B 2 -3.473 -0.305 -6.089 1.00 0.00 N ATOM 300 C5 DG B 2 -2.653 -0.516 -4.973 1.00 0.00 C ATOM 301 C6 DG B 2 -1.288 -0.912 -4.872 1.00 0.00 C ATOM 302 O6 DG B 2 -0.537 -1.198 -5.802 1.00 0.00 O ATOM 303 N1 DG B 2 -0.836 -1.019 -3.579 1.00 0.00 N ATOM 304 C2 DG B 2 -1.621 -0.800 -2.492 1.00 0.00 C ATOM 305 N2 DG B 2 -1.065 -0.930 -1.315 1.00 0.00 N ATOM 306 N3 DG B 2 -2.907 -0.482 -2.547 1.00 0.00 N ATOM 307 C4 DG B 2 -3.362 -0.353 -3.815 1.00 0.00 C ATOM 0 H5' DG B 2 -7.716 -2.310 -4.794 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.296 -1.553 -4.753 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.527 -1.064 -2.593 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.764 1.202 -4.151 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.515 1.617 -4.681 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.456 2.228 -3.040 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.302 0.418 -2.272 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.519 0.178 -6.151 1.00 0.00 H new ATOM 0 H1 DG B 2 0.139 -1.276 -3.427 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.616 -0.775 -0.471 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.080 -1.186 -1.242 1.00 0.00 H new ATOM 319 P DC B 3 -9.027 2.796 -1.958 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.018 2.963 -0.868 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.252 3.443 -3.273 1.00 0.00 O ATOM 322 O5' DC B 3 -7.653 3.300 -1.351 1.00 0.00 O ATOM 323 C5' DC B 3 -7.126 2.640 -0.215 1.00 0.00 C ATOM 324 C4' DC B 3 -5.702 3.064 0.084 1.00 0.00 C ATOM 325 O4' DC B 3 -4.895 2.480 -0.904 1.00 0.00 O ATOM 326 C3' DC B 3 -5.473 4.575 -0.004 1.00 0.00 C ATOM 327 O3' DC B 3 -5.313 5.203 1.243 1.00 0.00 O ATOM 328 C2' DC B 3 -4.138 4.673 -0.706 1.00 0.00 C ATOM 329 C1' DC B 3 -3.721 3.224 -0.927 1.00 0.00 C ATOM 330 N1 DC B 3 -3.135 3.033 -2.254 1.00 0.00 N ATOM 331 C2 DC B 3 -1.899 2.442 -2.343 1.00 0.00 C ATOM 332 O2 DC B 3 -1.350 2.021 -1.336 1.00 0.00 O ATOM 333 N3 DC B 3 -1.291 2.330 -3.548 1.00 0.00 N ATOM 334 C4 DC B 3 -1.919 2.785 -4.620 1.00 0.00 C ATOM 335 N4 DC B 3 -1.276 2.657 -5.754 1.00 0.00 N ATOM 336 C5 DC B 3 -3.220 3.361 -4.574 1.00 0.00 C ATOM 337 C6 DC B 3 -3.793 3.448 -3.365 1.00 0.00 C ATOM 0 H5' DC B 3 -7.156 1.562 -0.376 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.755 2.850 0.650 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.474 2.754 1.104 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.325 5.053 -0.487 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.224 5.211 -1.650 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.408 5.209 -0.099 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.992 2.934 -0.170 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.701 2.986 -6.621 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.351 2.228 -5.770 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.719 3.710 -5.466 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.790 3.853 -3.275 1.00 0.00 H new ATOM 349 P DT B 4 -6.565 5.777 2.042 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.824 5.187 1.531 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.351 7.240 2.006 1.00 0.00 O ATOM 352 O5' DT B 4 -6.264 5.255 3.511 1.00 0.00 O ATOM 353 C5' DT B 4 -6.646 3.962 3.937 1.00 0.00 C ATOM 354 C4' DT B 4 -6.213 3.729 5.383 1.00 0.00 C ATOM 355 O4' DT B 4 -4.872 3.270 5.376 1.00 0.00 O ATOM 356 C3' DT B 4 -6.304 4.981 6.262 1.00 0.00 C ATOM 357 O3' DT B 4 -7.045 4.816 7.458 1.00 0.00 O ATOM 358 C2' DT B 4 -4.844 5.363 6.455 1.00 0.00 C ATOM 359 C1' DT B 4 -4.073 4.062 6.229 1.00 0.00 C ATOM 360 N1 DT B 4 -2.763 4.305 5.567 1.00 0.00 N ATOM 361 C2 DT B 4 -1.648 4.449 6.380 1.00 0.00 C ATOM 362 O2 DT B 4 -1.682 4.387 7.599 1.00 0.00 O ATOM 363 N3 DT B 4 -0.453 4.696 5.752 1.00 0.00 N ATOM 364 C4 DT B 4 -0.259 4.791 4.399 1.00 0.00 C ATOM 365 O4 DT B 4 0.864 5.044 3.978 1.00 0.00 O ATOM 366 C5 DT B 4 -1.449 4.581 3.595 1.00 0.00 C ATOM 367 C7 DT B 4 -1.346 4.579 2.076 1.00 0.00 C ATOM 368 C6 DT B 4 -2.646 4.355 4.194 1.00 0.00 C ATOM 0 H5' DT B 4 -6.194 3.210 3.290 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.727 3.848 3.851 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.897 2.997 5.812 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.884 5.779 5.797 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.539 6.133 5.747 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.667 5.761 7.454 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.872 3.581 7.186 1.00 0.00 H new ATOM 0 H3 DT B 4 0.366 4.820 6.347 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.112 3.924 1.660 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.491 5.592 1.700 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.361 4.220 1.779 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.525 4.211 3.583 1.00 0.00 H new ATOM 381 P DC B 5 -6.682 3.776 8.627 1.00 0.00 P ATOM 382 OP1 DC B 5 -5.601 4.350 9.448 1.00 0.00 O ATOM 383 OP2 DC B 5 -6.515 2.425 8.052 1.00 0.00 O ATOM 384 O5' DC B 5 -8.034 3.758 9.493 1.00 0.00 O ATOM 385 C5' DC B 5 -9.321 3.669 8.901 1.00 0.00 C ATOM 386 C4' DC B 5 -9.771 2.258 8.458 1.00 0.00 C ATOM 387 O4' DC B 5 -11.055 2.001 9.011 1.00 0.00 O ATOM 388 C3' DC B 5 -10.053 2.173 6.947 1.00 0.00 C ATOM 389 O3' DC B 5 -10.323 0.853 6.505 1.00 0.00 O ATOM 390 C2' DC B 5 -11.387 2.911 6.859 1.00 0.00 C ATOM 391 C1' DC B 5 -11.997 2.746 8.256 1.00 0.00 C ATOM 392 N1 DC B 5 -13.310 2.061 8.239 1.00 0.00 N ATOM 393 C2 DC B 5 -14.393 2.665 8.866 1.00 0.00 C ATOM 394 O2 DC B 5 -14.281 3.757 9.412 1.00 0.00 O ATOM 395 N3 DC B 5 -15.595 2.042 8.864 1.00 0.00 N ATOM 396 C4 DC B 5 -15.721 0.869 8.276 1.00 0.00 C ATOM 397 N4 DC B 5 -16.917 0.329 8.309 1.00 0.00 N ATOM 398 C5 DC B 5 -14.644 0.209 7.628 1.00 0.00 C ATOM 399 C6 DC B 5 -13.452 0.844 7.638 1.00 0.00 C ATOM 0 H5' DC B 5 -9.344 4.325 8.031 1.00 0.00 H new ATOM 0 H5'' DC B 5 -10.052 4.055 9.611 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.974 1.580 8.764 1.00 0.00 H new ATOM 0 H3' DC B 5 -9.212 2.547 6.363 1.00 0.00 H new ATOM 0 H2' DC B 5 -11.246 3.962 6.607 1.00 0.00 H new ATOM 0 H2'' DC B 5 -12.030 2.483 6.090 1.00 0.00 H new ATOM 0 H1' DC B 5 -12.192 3.726 8.691 1.00 0.00 H new ATOM 0 H41 DC B 5 -17.079 -0.578 7.872 1.00 0.00 H new ATOM 0 H42 DC B 5 -17.684 0.816 8.772 1.00 0.00 H new ATOM 0 H5 DC B 5 -14.771 -0.752 7.151 1.00 0.00 H new ATOM 0 H6 DC B 5 -12.599 0.382 7.164 1.00 0.00 H new ATOM 411 P DG B 6 -9.172 -0.145 6.033 1.00 0.00 P ATOM 412 OP1 DG B 6 -9.775 -1.370 5.440 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.154 -0.283 7.102 1.00 0.00 O ATOM 414 O5' DG B 6 -8.480 0.673 4.842 1.00 0.00 O ATOM 415 C5' DG B 6 -9.187 1.131 3.704 1.00 0.00 C ATOM 416 C4' DG B 6 -8.516 0.629 2.417 1.00 0.00 C ATOM 417 O4' DG B 6 -7.176 1.078 2.449 1.00 0.00 O ATOM 418 C3' DG B 6 -8.543 -0.893 2.353 1.00 0.00 C ATOM 419 O3' DG B 6 -8.939 -1.380 1.087 1.00 0.00 O ATOM 420 C2' DG B 6 -7.133 -1.283 2.788 1.00 0.00 C ATOM 421 C1' DG B 6 -6.299 -0.015 2.577 1.00 0.00 C ATOM 422 N9 DG B 6 -5.340 0.189 3.676 1.00 0.00 N ATOM 423 C8 DG B 6 -5.498 -0.023 5.015 1.00 0.00 C ATOM 424 N7 DG B 6 -4.439 0.183 5.744 1.00 0.00 N ATOM 425 C5 DG B 6 -3.489 0.578 4.791 1.00 0.00 C ATOM 426 C6 DG B 6 -2.115 0.950 4.914 1.00 0.00 C ATOM 427 O6 DG B 6 -1.434 1.064 5.927 1.00 0.00 O ATOM 428 N1 DG B 6 -1.516 1.223 3.704 1.00 0.00 N ATOM 429 C2 DG B 6 -2.158 1.168 2.508 1.00 0.00 C ATOM 430 N2 DG B 6 -1.460 1.418 1.427 1.00 0.00 N ATOM 431 N3 DG B 6 -3.434 0.861 2.357 1.00 0.00 N ATOM 432 C4 DG B 6 -4.040 0.579 3.534 1.00 0.00 C ATOM 0 H5' DG B 6 -9.220 2.221 3.703 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.218 0.781 3.744 1.00 0.00 H new ATOM 0 H4' DG B 6 -9.043 1.008 1.542 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.295 -1.346 3.000 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.114 -1.601 3.830 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.750 -2.113 2.194 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.707 -0.116 1.667 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.438 -0.340 5.441 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.530 1.482 3.706 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.909 1.386 0.512 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.468 1.645 1.501 1.00 0.00 H new ATOM 444 P DC B 7 -9.034 -2.955 0.833 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.835 -3.255 -0.378 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.351 -3.599 2.136 1.00 0.00 O ATOM 447 O5' DC B 7 -7.533 -3.270 0.421 1.00 0.00 O ATOM 448 C5' DC B 7 -6.934 -2.516 -0.617 1.00 0.00 C ATOM 449 C4' DC B 7 -5.448 -2.784 -0.753 1.00 0.00 C ATOM 450 O4' DC B 7 -4.843 -2.183 0.362 1.00 0.00 O ATOM 451 C3' DC B 7 -5.095 -4.270 -0.707 1.00 0.00 C ATOM 452 O3' DC B 7 -4.687 -4.751 -1.960 1.00 0.00 O ATOM 453 C2' DC B 7 -3.890 -4.300 0.203 1.00 0.00 C ATOM 454 C1' DC B 7 -3.627 -2.834 0.531 1.00 0.00 C ATOM 455 N1 DC B 7 -3.258 -2.679 1.942 1.00 0.00 N ATOM 456 C2 DC B 7 -2.060 -2.085 2.255 1.00 0.00 C ATOM 457 O2 DC B 7 -1.387 -1.574 1.371 1.00 0.00 O ATOM 458 N3 DC B 7 -1.631 -2.061 3.542 1.00 0.00 N ATOM 459 C4 DC B 7 -2.399 -2.600 4.477 1.00 0.00 C ATOM 460 N4 DC B 7 -1.947 -2.554 5.709 1.00 0.00 N ATOM 461 C5 DC B 7 -3.668 -3.183 4.192 1.00 0.00 C ATOM 462 C6 DC B 7 -4.058 -3.186 2.912 1.00 0.00 C ATOM 0 H5' DC B 7 -7.092 -1.454 -0.427 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.429 -2.747 -1.560 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.113 -2.397 -1.715 1.00 0.00 H new ATOM 0 H3' DC B 7 -5.945 -4.874 -0.389 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.087 -4.880 1.105 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.032 -4.757 -0.289 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.826 -2.445 -0.098 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.497 -2.954 6.469 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.046 -2.118 5.906 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.286 -3.603 4.972 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.021 -3.597 2.649 1.00 0.00 H new ATOM 474 P DT B 8 -5.714 -5.454 -2.948 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.046 -4.808 -2.847 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.596 -6.914 -2.724 1.00 0.00 O ATOM 477 O5' DT B 8 -5.034 -5.110 -4.350 1.00 0.00 O ATOM 478 C5' DT B 8 -5.246 -3.876 -5.009 1.00 0.00 C ATOM 479 C4' DT B 8 -4.352 -3.783 -6.262 1.00 0.00 C ATOM 480 O4' DT B 8 -3.016 -3.421 -5.913 1.00 0.00 O ATOM 481 C3' DT B 8 -4.286 -5.111 -7.042 1.00 0.00 C ATOM 482 O3' DT B 8 -4.346 -5.096 -8.467 1.00 0.00 O ATOM 483 C2' DT B 8 -2.969 -5.696 -6.556 1.00 0.00 C ATOM 484 C1' DT B 8 -2.123 -4.464 -6.278 1.00 0.00 C ATOM 485 N1 DT B 8 -1.101 -4.695 -5.234 1.00 0.00 N ATOM 486 C2 DT B 8 0.152 -5.123 -5.653 1.00 0.00 C ATOM 487 O2 DT B 8 0.429 -5.383 -6.815 1.00 0.00 O ATOM 488 N3 DT B 8 1.119 -5.250 -4.694 1.00 0.00 N ATOM 489 C4 DT B 8 0.962 -4.972 -3.361 1.00 0.00 C ATOM 490 O4 DT B 8 1.928 -5.100 -2.618 1.00 0.00 O ATOM 491 C5 DT B 8 -0.372 -4.538 -2.980 1.00 0.00 C ATOM 492 C7 DT B 8 -0.662 -4.185 -1.533 1.00 0.00 C ATOM 493 C6 DT B 8 -1.353 -4.423 -3.912 1.00 0.00 C ATOM 0 H5' DT B 8 -5.024 -3.051 -4.332 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.294 -3.782 -5.293 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.808 -3.019 -6.892 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.195 -5.678 -6.840 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.104 -6.302 -5.660 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.511 -6.337 -7.309 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.557 -4.198 -7.171 1.00 0.00 H new ATOM 0 H3 DT B 8 2.035 -5.580 -4.997 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.442 -3.425 -1.493 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.996 -5.076 -1.001 1.00 0.00 H new ATOM 0 H73 DT B 8 0.244 -3.800 -1.064 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.343 -4.114 -3.610 1.00 0.00 H new TER 506 DT B 8