USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 147 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 30:sc= 0.00394 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl -30:sc= -0.0287 (180deg=-0.331) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.698 9.887 10.384 1.00 0.00 O ATOM 2 C5' DG A 1 -4.832 9.412 11.078 1.00 0.00 C ATOM 3 C4' DG A 1 -5.231 8.016 10.587 1.00 0.00 C ATOM 4 O4' DG A 1 -5.524 8.079 9.199 1.00 0.00 O ATOM 5 C3' DG A 1 -4.121 6.970 10.784 1.00 0.00 C ATOM 6 O3' DG A 1 -4.700 5.769 11.272 1.00 0.00 O ATOM 7 C2' DG A 1 -3.583 6.808 9.366 1.00 0.00 C ATOM 8 C1' DG A 1 -4.862 7.006 8.561 1.00 0.00 C ATOM 9 N9 DG A 1 -4.569 7.325 7.146 1.00 0.00 N ATOM 10 C8 DG A 1 -3.858 8.382 6.635 1.00 0.00 C ATOM 11 N7 DG A 1 -3.758 8.381 5.335 1.00 0.00 N ATOM 12 C5 DG A 1 -4.461 7.245 4.949 1.00 0.00 C ATOM 13 C6 DG A 1 -4.707 6.714 3.647 1.00 0.00 C ATOM 14 O6 DG A 1 -4.320 7.150 2.565 1.00 0.00 O ATOM 15 N1 DG A 1 -5.490 5.562 3.684 1.00 0.00 N ATOM 16 C2 DG A 1 -5.933 4.952 4.844 1.00 0.00 C ATOM 17 N2 DG A 1 -6.595 3.798 4.719 1.00 0.00 N ATOM 18 N3 DG A 1 -5.699 5.450 6.068 1.00 0.00 N ATOM 19 C4 DG A 1 -4.966 6.595 6.052 1.00 0.00 C ATOM 0 H5' DG A 1 -5.664 10.102 10.938 1.00 0.00 H new ATOM 0 H5'' DG A 1 -4.621 9.379 12.147 1.00 0.00 H new ATOM 0 H4' DG A 1 -6.095 7.710 11.176 1.00 0.00 H new ATOM 0 H3' DG A 1 -3.344 7.242 11.498 1.00 0.00 H new ATOM 0 H2' DG A 1 -2.822 7.549 9.124 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.137 5.827 9.201 1.00 0.00 H new ATOM 0 HO5' DG A 1 -3.684 9.506 9.481 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.470 6.102 8.536 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.419 9.149 7.256 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.755 5.139 2.794 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.939 3.315 5.549 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.756 3.400 3.794 1.00 0.00 H new ATOM 32 P DC A 2 -3.819 4.457 11.623 1.00 0.00 P ATOM 33 OP1 DC A 2 -4.472 3.758 12.752 1.00 0.00 O ATOM 34 OP2 DC A 2 -2.400 4.862 11.736 1.00 0.00 O ATOM 35 O5' DC A 2 -3.975 3.541 10.300 1.00 0.00 O ATOM 36 C5' DC A 2 -5.195 2.887 10.002 1.00 0.00 C ATOM 37 C4' DC A 2 -5.096 2.082 8.701 1.00 0.00 C ATOM 38 O4' DC A 2 -4.810 2.939 7.607 1.00 0.00 O ATOM 39 C3' DC A 2 -4.012 0.988 8.731 1.00 0.00 C ATOM 40 O3' DC A 2 -4.615 -0.267 8.451 1.00 0.00 O ATOM 41 C2' DC A 2 -3.061 1.439 7.622 1.00 0.00 C ATOM 42 C1' DC A 2 -3.999 2.214 6.705 1.00 0.00 C ATOM 43 N1 DC A 2 -3.253 3.123 5.792 1.00 0.00 N ATOM 44 C2 DC A 2 -3.255 2.873 4.415 1.00 0.00 C ATOM 45 O2 DC A 2 -3.842 1.906 3.937 1.00 0.00 O ATOM 46 N3 DC A 2 -2.581 3.730 3.597 1.00 0.00 N ATOM 47 C4 DC A 2 -1.926 4.791 4.090 1.00 0.00 C ATOM 48 N4 DC A 2 -1.300 5.613 3.243 1.00 0.00 N ATOM 49 C5 DC A 2 -1.905 5.065 5.499 1.00 0.00 C ATOM 50 C6 DC A 2 -2.580 4.208 6.300 1.00 0.00 C ATOM 0 H5' DC A 2 -5.993 3.624 9.915 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.463 2.222 10.823 1.00 0.00 H new ATOM 0 H4' DC A 2 -6.066 1.598 8.589 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.499 0.865 9.685 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.254 2.064 8.004 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.596 0.595 7.113 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.572 1.565 6.043 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.796 6.425 3.599 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.326 5.428 2.240 1.00 0.00 H new ATOM 0 H5 DC A 2 -1.375 5.916 5.901 1.00 0.00 H new ATOM 0 H6 DC A 2 -2.590 4.381 7.366 1.00 0.00 H new ATOM 62 P DA A 3 -3.778 -1.653 8.410 1.00 0.00 P ATOM 63 OP1 DA A 3 -4.693 -2.753 8.789 1.00 0.00 O ATOM 64 OP2 DA A 3 -2.513 -1.462 9.154 1.00 0.00 O ATOM 65 O5' DA A 3 -3.419 -1.813 6.843 1.00 0.00 O ATOM 66 C5' DA A 3 -4.429 -2.073 5.886 1.00 0.00 C ATOM 67 C4' DA A 3 -3.831 -2.192 4.481 1.00 0.00 C ATOM 68 O4' DA A 3 -3.233 -0.964 4.105 1.00 0.00 O ATOM 69 C3' DA A 3 -2.761 -3.291 4.360 1.00 0.00 C ATOM 70 O3' DA A 3 -3.102 -4.115 3.255 1.00 0.00 O ATOM 71 C2' DA A 3 -1.488 -2.478 4.123 1.00 0.00 C ATOM 72 C1' DA A 3 -2.047 -1.259 3.400 1.00 0.00 C ATOM 73 N9 DA A 3 -1.133 -0.095 3.436 1.00 0.00 N ATOM 74 C8 DA A 3 -0.642 0.576 4.529 1.00 0.00 C ATOM 75 N7 DA A 3 0.031 1.656 4.242 1.00 0.00 N ATOM 76 C5 DA A 3 -0.013 1.707 2.854 1.00 0.00 C ATOM 77 C6 DA A 3 0.480 2.630 1.908 1.00 0.00 C ATOM 78 N6 DA A 3 1.145 3.741 2.243 1.00 0.00 N ATOM 79 N1 DA A 3 0.252 2.391 0.604 1.00 0.00 N ATOM 80 C2 DA A 3 -0.420 1.301 0.252 1.00 0.00 C ATOM 81 N3 DA A 3 -0.933 0.359 1.038 1.00 0.00 N ATOM 82 C4 DA A 3 -0.700 0.629 2.351 1.00 0.00 C ATOM 0 H5' DA A 3 -5.168 -1.272 5.905 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.951 -2.995 6.143 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.662 -2.455 3.826 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.658 -3.958 5.216 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.990 -2.211 5.055 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.761 -3.019 3.517 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.199 -1.466 2.341 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.800 0.238 5.542 1.00 0.00 H new ATOM 0 H61 DA A 3 1.479 4.374 1.516 1.00 0.00 H new ATOM 0 H62 DA A 3 1.318 3.955 3.225 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.569 1.162 -0.809 1.00 0.00 H new ATOM 94 P DT A 4 -2.219 -5.391 2.799 1.00 0.00 P ATOM 95 OP1 DT A 4 -3.147 -6.480 2.419 1.00 0.00 O ATOM 96 OP2 DT A 4 -1.171 -5.638 3.813 1.00 0.00 O ATOM 97 O5' DT A 4 -1.506 -4.846 1.459 1.00 0.00 O ATOM 98 C5' DT A 4 -2.260 -4.593 0.289 1.00 0.00 C ATOM 99 C4' DT A 4 -1.376 -3.999 -0.809 1.00 0.00 C ATOM 100 O4' DT A 4 -0.796 -2.790 -0.357 1.00 0.00 O ATOM 101 C3' DT A 4 -0.237 -4.933 -1.253 1.00 0.00 C ATOM 102 O3' DT A 4 -0.382 -5.174 -2.644 1.00 0.00 O ATOM 103 C2' DT A 4 1.015 -4.127 -0.900 1.00 0.00 C ATOM 104 C1' DT A 4 0.487 -2.696 -0.936 1.00 0.00 C ATOM 105 N1 DT A 4 1.328 -1.751 -0.150 1.00 0.00 N ATOM 106 C2 DT A 4 1.892 -0.651 -0.797 1.00 0.00 C ATOM 107 O2 DT A 4 1.768 -0.433 -1.999 1.00 0.00 O ATOM 108 N3 DT A 4 2.621 0.220 0.000 1.00 0.00 N ATOM 109 C4 DT A 4 2.818 0.106 1.368 1.00 0.00 C ATOM 110 O4 DT A 4 3.471 0.954 1.970 1.00 0.00 O ATOM 111 C5 DT A 4 2.193 -1.057 1.968 1.00 0.00 C ATOM 112 C7 DT A 4 2.352 -1.310 3.454 1.00 0.00 C ATOM 113 C6 DT A 4 1.483 -1.926 1.207 1.00 0.00 C ATOM 0 H5' DT A 4 -3.075 -3.906 0.518 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.713 -5.519 -0.064 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.031 -3.838 -1.665 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.212 -5.916 -0.783 1.00 0.00 H new ATOM 0 H2' DT A 4 1.409 -4.393 0.081 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.819 -4.284 -1.619 1.00 0.00 H new ATOM 0 H1' DT A 4 0.486 -2.305 -1.953 1.00 0.00 H new ATOM 0 H3 DT A 4 3.053 1.019 -0.464 1.00 0.00 H new ATOM 0 H71 DT A 4 1.472 -1.832 3.830 1.00 0.00 H new ATOM 0 H72 DT A 4 3.238 -1.921 3.626 1.00 0.00 H new ATOM 0 H73 DT A 4 2.461 -0.359 3.975 1.00 0.00 H new ATOM 0 H6 DT A 4 1.025 -2.782 1.680 1.00 0.00 H new ATOM 126 P DC A 5 0.627 -6.111 -3.494 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.104 -6.635 -4.669 1.00 0.00 O ATOM 128 OP2 DC A 5 1.299 -7.048 -2.566 1.00 0.00 O ATOM 129 O5' DC A 5 1.714 -5.039 -4.009 1.00 0.00 O ATOM 130 C5' DC A 5 1.395 -4.114 -5.029 1.00 0.00 C ATOM 131 C4' DC A 5 2.513 -3.082 -5.178 1.00 0.00 C ATOM 132 O4' DC A 5 2.816 -2.477 -3.935 1.00 0.00 O ATOM 133 C3' DC A 5 3.829 -3.665 -5.716 1.00 0.00 C ATOM 134 O3' DC A 5 3.954 -3.341 -7.093 1.00 0.00 O ATOM 135 C2' DC A 5 4.891 -2.992 -4.839 1.00 0.00 C ATOM 136 C1' DC A 5 4.101 -1.923 -4.097 1.00 0.00 C ATOM 137 N1 DC A 5 4.725 -1.505 -2.811 1.00 0.00 N ATOM 138 C2 DC A 5 5.377 -0.269 -2.759 1.00 0.00 C ATOM 139 O2 DC A 5 5.555 0.409 -3.769 1.00 0.00 O ATOM 140 N3 DC A 5 5.831 0.181 -1.557 1.00 0.00 N ATOM 141 C4 DC A 5 5.672 -0.543 -0.440 1.00 0.00 C ATOM 142 N4 DC A 5 6.148 -0.054 0.710 1.00 0.00 N ATOM 143 C5 DC A 5 5.025 -1.825 -0.469 1.00 0.00 C ATOM 144 C6 DC A 5 4.572 -2.257 -1.670 1.00 0.00 C ATOM 0 H5' DC A 5 0.457 -3.612 -4.794 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.248 -4.639 -5.973 1.00 0.00 H new ATOM 0 H4' DC A 5 2.123 -2.361 -5.897 1.00 0.00 H new ATOM 0 H3' DC A 5 3.907 -4.751 -5.667 1.00 0.00 H new ATOM 0 H2' DC A 5 5.354 -3.700 -4.152 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.692 -2.558 -5.438 1.00 0.00 H new ATOM 0 H1' DC A 5 4.072 -0.990 -4.659 1.00 0.00 H new ATOM 0 H41 DC A 5 6.040 -0.585 1.574 1.00 0.00 H new ATOM 0 H42 DC A 5 6.619 0.850 0.723 1.00 0.00 H new ATOM 0 H5 DC A 5 4.905 -2.417 0.426 1.00 0.00 H new ATOM 0 H6 DC A 5 4.079 -3.216 -1.733 1.00 0.00 H new ATOM 156 P DG A 6 5.130 -3.939 -8.031 1.00 0.00 P ATOM 157 OP1 DG A 6 4.734 -3.733 -9.441 1.00 0.00 O ATOM 158 OP2 DG A 6 5.461 -5.301 -7.556 1.00 0.00 O ATOM 159 O5' DG A 6 6.391 -2.985 -7.723 1.00 0.00 O ATOM 160 C5' DG A 6 6.410 -1.628 -8.120 1.00 0.00 C ATOM 161 C4' DG A 6 7.701 -0.941 -7.658 1.00 0.00 C ATOM 162 O4' DG A 6 7.781 -0.941 -6.241 1.00 0.00 O ATOM 163 C3' DG A 6 8.963 -1.634 -8.187 1.00 0.00 C ATOM 164 O3' DG A 6 9.913 -0.609 -8.435 1.00 0.00 O ATOM 165 C2' DG A 6 9.328 -2.547 -7.016 1.00 0.00 C ATOM 166 C1' DG A 6 8.927 -1.670 -5.833 1.00 0.00 C ATOM 167 N9 DG A 6 8.627 -2.388 -4.570 1.00 0.00 N ATOM 168 C8 DG A 6 8.131 -3.655 -4.375 1.00 0.00 C ATOM 169 N7 DG A 6 7.902 -3.956 -3.128 1.00 0.00 N ATOM 170 C5 DG A 6 8.264 -2.808 -2.434 1.00 0.00 C ATOM 171 C6 DG A 6 8.240 -2.536 -1.033 1.00 0.00 C ATOM 172 O6 DG A 6 7.876 -3.277 -0.122 1.00 0.00 O ATOM 173 N1 DG A 6 8.699 -1.256 -0.731 1.00 0.00 N ATOM 174 C2 DG A 6 9.102 -0.328 -1.674 1.00 0.00 C ATOM 175 N2 DG A 6 9.477 0.874 -1.223 1.00 0.00 N ATOM 176 N3 DG A 6 9.120 -0.585 -2.992 1.00 0.00 N ATOM 177 C4 DG A 6 8.699 -1.840 -3.308 1.00 0.00 C ATOM 0 H5' DG A 6 5.547 -1.110 -7.701 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.326 -1.561 -9.205 1.00 0.00 H new ATOM 0 H4' DG A 6 7.659 0.073 -8.055 1.00 0.00 H new ATOM 0 H3' DG A 6 8.879 -2.204 -9.112 1.00 0.00 H new ATOM 0 H2' DG A 6 8.778 -3.488 -7.038 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.389 -2.798 -7.003 1.00 0.00 H new ATOM 0 H1' DG A 6 9.786 -1.044 -5.590 1.00 0.00 H new ATOM 0 H8 DG A 6 7.947 -4.343 -5.187 1.00 0.00 H new ATOM 0 H1 DG A 6 8.741 -0.985 0.251 1.00 0.00 H new ATOM 0 H21 DG A 6 9.783 1.592 -1.879 1.00 0.00 H new ATOM 0 H22 DG A 6 9.457 1.072 -0.223 1.00 0.00 H new ATOM 189 P DA A 7 11.425 -0.888 -8.927 1.00 0.00 P ATOM 190 OP1 DA A 7 11.769 0.113 -9.961 1.00 0.00 O ATOM 191 OP2 DA A 7 11.587 -2.331 -9.215 1.00 0.00 O ATOM 192 O5' DA A 7 12.245 -0.537 -7.586 1.00 0.00 O ATOM 193 C5' DA A 7 12.306 0.793 -7.102 1.00 0.00 C ATOM 194 C4' DA A 7 12.973 0.827 -5.726 1.00 0.00 C ATOM 195 O4' DA A 7 12.208 0.024 -4.842 1.00 0.00 O ATOM 196 C3' DA A 7 14.405 0.270 -5.764 1.00 0.00 C ATOM 197 O3' DA A 7 15.393 1.200 -5.329 1.00 0.00 O ATOM 198 C2' DA A 7 14.314 -1.008 -4.935 1.00 0.00 C ATOM 199 C1' DA A 7 13.086 -0.754 -4.058 1.00 0.00 C ATOM 200 N9 DA A 7 12.418 -2.011 -3.654 1.00 0.00 N ATOM 201 C8 DA A 7 12.005 -3.058 -4.442 1.00 0.00 C ATOM 202 N7 DA A 7 11.451 -4.039 -3.787 1.00 0.00 N ATOM 203 C5 DA A 7 11.491 -3.611 -2.465 1.00 0.00 C ATOM 204 C6 DA A 7 11.054 -4.190 -1.256 1.00 0.00 C ATOM 205 N6 DA A 7 10.450 -5.383 -1.200 1.00 0.00 N ATOM 206 N1 DA A 7 11.226 -3.497 -0.113 1.00 0.00 N ATOM 207 C2 DA A 7 11.797 -2.296 -0.168 1.00 0.00 C ATOM 208 N3 DA A 7 12.247 -1.643 -1.235 1.00 0.00 N ATOM 209 C4 DA A 7 12.065 -2.367 -2.374 1.00 0.00 C ATOM 0 H5' DA A 7 11.301 1.210 -7.037 1.00 0.00 H new ATOM 0 H5'' DA A 7 12.865 1.416 -7.800 1.00 0.00 H new ATOM 0 H4' DA A 7 13.021 1.865 -5.397 1.00 0.00 H new ATOM 0 H3' DA A 7 14.751 0.064 -6.777 1.00 0.00 H new ATOM 0 H2' DA A 7 14.187 -1.890 -5.563 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.212 -1.168 -4.338 1.00 0.00 H new ATOM 0 H1' DA A 7 13.379 -0.253 -3.135 1.00 0.00 H new ATOM 0 H8 DA A 7 12.129 -3.067 -5.515 1.00 0.00 H new ATOM 0 H61 DA A 7 10.151 -5.762 -0.301 1.00 0.00 H new ATOM 0 H62 DA A 7 10.289 -5.914 -2.056 1.00 0.00 H new ATOM 0 H2 DA A 7 11.909 -1.786 0.777 1.00 0.00 H new ATOM 221 P DC A 8 15.574 1.724 -3.805 1.00 0.00 P ATOM 222 OP1 DC A 8 16.362 0.721 -3.055 1.00 0.00 O ATOM 223 OP2 DC A 8 14.263 2.165 -3.279 1.00 0.00 O ATOM 224 O5' DC A 8 16.507 3.026 -4.035 1.00 0.00 O ATOM 225 C5' DC A 8 16.427 4.161 -3.190 1.00 0.00 C ATOM 226 C4' DC A 8 15.568 5.279 -3.809 1.00 0.00 C ATOM 227 O4' DC A 8 14.381 4.754 -4.391 1.00 0.00 O ATOM 228 C3' DC A 8 15.122 6.266 -2.723 1.00 0.00 C ATOM 229 O3' DC A 8 14.953 7.554 -3.305 1.00 0.00 O ATOM 230 C2' DC A 8 13.803 5.614 -2.317 1.00 0.00 C ATOM 231 C1' DC A 8 13.260 5.282 -3.707 1.00 0.00 C ATOM 232 N1 DC A 8 12.067 4.405 -3.894 1.00 0.00 N ATOM 233 C2 DC A 8 11.477 3.679 -2.848 1.00 0.00 C ATOM 234 O2 DC A 8 11.805 3.828 -1.674 1.00 0.00 O ATOM 235 N3 DC A 8 10.485 2.792 -3.157 1.00 0.00 N ATOM 236 C4 DC A 8 10.045 2.651 -4.416 1.00 0.00 C ATOM 237 N4 DC A 8 9.108 1.738 -4.677 1.00 0.00 N ATOM 238 C5 DC A 8 10.545 3.473 -5.477 1.00 0.00 C ATOM 239 C6 DC A 8 11.555 4.316 -5.166 1.00 0.00 C ATOM 0 H5' DC A 8 17.430 4.540 -2.995 1.00 0.00 H new ATOM 0 H5'' DC A 8 16.004 3.869 -2.229 1.00 0.00 H new ATOM 0 H4' DC A 8 16.181 5.767 -4.566 1.00 0.00 H new ATOM 0 H3' DC A 8 15.802 6.429 -1.887 1.00 0.00 H new ATOM 0 H2' DC A 8 13.945 4.728 -1.698 1.00 0.00 H new ATOM 0 H2'' DC A 8 13.153 6.290 -1.762 1.00 0.00 H new ATOM 0 H1' DC A 8 12.826 6.209 -4.082 1.00 0.00 H new ATOM 0 H41 DC A 8 8.763 1.619 -5.630 1.00 0.00 H new ATOM 0 H42 DC A 8 8.736 1.159 -3.924 1.00 0.00 H new ATOM 0 H5 DC A 8 10.136 3.422 -6.475 1.00 0.00 H new ATOM 0 H6 DC A 8 11.973 4.940 -5.942 1.00 0.00 H new ATOM 251 P DG A 9 14.337 8.818 -2.499 1.00 0.00 P ATOM 252 OP1 DG A 9 14.804 10.053 -3.166 1.00 0.00 O ATOM 253 OP2 DG A 9 14.599 8.622 -1.056 1.00 0.00 O ATOM 254 O5' DG A 9 12.742 8.688 -2.747 1.00 0.00 O ATOM 255 C5' DG A 9 12.183 8.907 -4.030 1.00 0.00 C ATOM 256 C4' DG A 9 10.697 8.524 -4.090 1.00 0.00 C ATOM 257 O4' DG A 9 10.366 7.367 -3.334 1.00 0.00 O ATOM 258 C3' DG A 9 9.735 9.644 -3.657 1.00 0.00 C ATOM 259 O3' DG A 9 9.103 10.125 -4.834 1.00 0.00 O ATOM 260 C2' DG A 9 8.805 8.916 -2.680 1.00 0.00 C ATOM 261 C1' DG A 9 8.975 7.460 -3.092 1.00 0.00 C ATOM 262 N9 DG A 9 8.494 6.496 -2.068 1.00 0.00 N ATOM 263 C8 DG A 9 8.498 6.597 -0.697 1.00 0.00 C ATOM 264 N7 DG A 9 8.085 5.527 -0.080 1.00 0.00 N ATOM 265 C5 DG A 9 7.729 4.665 -1.109 1.00 0.00 C ATOM 266 C6 DG A 9 7.175 3.352 -1.050 1.00 0.00 C ATOM 267 O6 DG A 9 6.996 2.651 -0.056 1.00 0.00 O ATOM 268 N1 DG A 9 6.807 2.876 -2.305 1.00 0.00 N ATOM 269 C2 DG A 9 6.948 3.589 -3.482 1.00 0.00 C ATOM 270 N2 DG A 9 6.446 3.043 -4.595 1.00 0.00 N ATOM 271 N3 DG A 9 7.531 4.797 -3.545 1.00 0.00 N ATOM 272 C4 DG A 9 7.901 5.280 -2.327 1.00 0.00 C ATOM 0 H5' DG A 9 12.736 8.327 -4.769 1.00 0.00 H new ATOM 0 H5'' DG A 9 12.297 9.957 -4.299 1.00 0.00 H new ATOM 0 H4' DG A 9 10.561 8.321 -5.152 1.00 0.00 H new ATOM 0 H3' DG A 9 10.168 10.521 -3.177 1.00 0.00 H new ATOM 0 H2' DG A 9 9.096 9.081 -1.643 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.772 9.248 -2.778 1.00 0.00 H new ATOM 0 H1' DG A 9 8.372 7.194 -3.960 1.00 0.00 H new ATOM 0 H8 DG A 9 8.816 7.488 -0.176 1.00 0.00 H new ATOM 0 H1 DG A 9 6.407 1.939 -2.361 1.00 0.00 H new ATOM 0 H21 DG A 9 6.527 3.534 -5.485 1.00 0.00 H new ATOM 0 H22 DG A 9 5.982 2.136 -4.553 1.00 0.00 H new ATOM 284 P DA A 10 7.776 11.046 -4.839 1.00 0.00 P ATOM 285 OP1 DA A 10 7.798 11.886 -6.057 1.00 0.00 O ATOM 286 OP2 DA A 10 7.613 11.674 -3.509 1.00 0.00 O ATOM 287 O5' DA A 10 6.643 9.910 -5.028 1.00 0.00 O ATOM 288 C5' DA A 10 6.648 9.071 -6.170 1.00 0.00 C ATOM 289 C4' DA A 10 5.589 7.973 -6.058 1.00 0.00 C ATOM 290 O4' DA A 10 5.758 7.208 -4.880 1.00 0.00 O ATOM 291 C3' DA A 10 4.147 8.496 -6.045 1.00 0.00 C ATOM 292 O3' DA A 10 3.581 8.334 -7.337 1.00 0.00 O ATOM 293 C2' DA A 10 3.487 7.629 -4.968 1.00 0.00 C ATOM 294 C1' DA A 10 4.527 6.555 -4.666 1.00 0.00 C ATOM 295 N9 DA A 10 4.414 6.067 -3.275 1.00 0.00 N ATOM 296 C8 DA A 10 4.776 6.715 -2.121 1.00 0.00 C ATOM 297 N7 DA A 10 4.605 6.015 -1.036 1.00 0.00 N ATOM 298 C5 DA A 10 4.081 4.815 -1.502 1.00 0.00 C ATOM 299 C6 DA A 10 3.692 3.626 -0.853 1.00 0.00 C ATOM 300 N6 DA A 10 3.800 3.462 0.470 1.00 0.00 N ATOM 301 N1 DA A 10 3.204 2.616 -1.600 1.00 0.00 N ATOM 302 C2 DA A 10 3.105 2.778 -2.918 1.00 0.00 C ATOM 303 N3 DA A 10 3.441 3.842 -3.646 1.00 0.00 N ATOM 304 C4 DA A 10 3.936 4.843 -2.866 1.00 0.00 C ATOM 0 H5' DA A 10 7.633 8.619 -6.287 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.463 9.668 -7.063 1.00 0.00 H new ATOM 0 H4' DA A 10 5.738 7.369 -6.953 1.00 0.00 H new ATOM 0 H3' DA A 10 4.032 9.557 -5.821 1.00 0.00 H new ATOM 0 H2' DA A 10 3.246 8.212 -4.079 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.554 7.192 -5.324 1.00 0.00 H new ATOM 0 H1' DA A 10 4.406 5.670 -5.291 1.00 0.00 H new ATOM 0 H8 DA A 10 5.170 7.721 -2.113 1.00 0.00 H new ATOM 0 H61 DA A 10 3.507 2.585 0.901 1.00 0.00 H new ATOM 0 H62 DA A 10 4.176 4.214 1.048 1.00 0.00 H new ATOM 0 H2 DA A 10 2.701 1.940 -3.467 1.00 0.00 H new ATOM 316 P DT A 11 2.055 8.745 -7.689 1.00 0.00 P ATOM 317 OP1 DT A 11 1.970 8.996 -9.145 1.00 0.00 O ATOM 318 OP2 DT A 11 1.613 9.787 -6.735 1.00 0.00 O ATOM 319 O5' DT A 11 1.240 7.391 -7.366 1.00 0.00 O ATOM 320 C5' DT A 11 1.517 6.190 -8.061 1.00 0.00 C ATOM 321 C4' DT A 11 0.744 5.022 -7.441 1.00 0.00 C ATOM 322 O4' DT A 11 1.121 4.870 -6.080 1.00 0.00 O ATOM 323 C3' DT A 11 -0.782 5.214 -7.487 1.00 0.00 C ATOM 324 O3' DT A 11 -1.377 4.031 -8.002 1.00 0.00 O ATOM 325 C2' DT A 11 -1.121 5.429 -6.015 1.00 0.00 C ATOM 326 C1' DT A 11 -0.047 4.580 -5.342 1.00 0.00 C ATOM 327 N1 DT A 11 0.139 4.898 -3.898 1.00 0.00 N ATOM 328 C2 DT A 11 -0.050 3.885 -2.956 1.00 0.00 C ATOM 329 O2 DT A 11 -0.410 2.745 -3.245 1.00 0.00 O ATOM 330 N3 DT A 11 0.193 4.226 -1.633 1.00 0.00 N ATOM 331 C4 DT A 11 0.618 5.459 -1.166 1.00 0.00 C ATOM 332 O4 DT A 11 0.863 5.619 0.028 1.00 0.00 O ATOM 333 C5 DT A 11 0.748 6.469 -2.197 1.00 0.00 C ATOM 334 C7 DT A 11 1.135 7.881 -1.805 1.00 0.00 C ATOM 335 C6 DT A 11 0.514 6.161 -3.498 1.00 0.00 C ATOM 0 H5' DT A 11 2.587 5.983 -8.030 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.244 6.299 -9.111 1.00 0.00 H new ATOM 0 H4' DT A 11 0.994 4.141 -8.032 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.133 6.030 -8.119 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.058 6.478 -5.726 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.128 5.091 -5.770 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.316 3.524 -5.347 1.00 0.00 H new ATOM 0 H3 DT A 11 0.044 3.497 -0.936 1.00 0.00 H new ATOM 0 H71 DT A 11 0.767 8.094 -0.801 1.00 0.00 H new ATOM 0 H72 DT A 11 2.220 7.979 -1.822 1.00 0.00 H new ATOM 0 H73 DT A 11 0.696 8.587 -2.509 1.00 0.00 H new ATOM 0 H6 DT A 11 0.626 6.933 -4.245 1.00 0.00 H new ATOM 348 P DG A 12 -2.964 3.905 -8.293 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.133 3.243 -9.606 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.598 5.219 -8.049 1.00 0.00 O ATOM 351 O5' DG A 12 -3.474 2.887 -7.146 1.00 0.00 O ATOM 352 C5' DG A 12 -3.192 1.500 -7.211 1.00 0.00 C ATOM 353 C4' DG A 12 -3.839 0.748 -6.040 1.00 0.00 C ATOM 354 O4' DG A 12 -3.303 1.229 -4.817 1.00 0.00 O ATOM 355 C3' DG A 12 -5.365 0.931 -5.986 1.00 0.00 C ATOM 356 O3' DG A 12 -5.966 -0.306 -5.622 1.00 0.00 O ATOM 357 C2' DG A 12 -5.504 1.981 -4.888 1.00 0.00 C ATOM 358 C1' DG A 12 -4.372 1.565 -3.955 1.00 0.00 C ATOM 359 N9 DG A 12 -3.948 2.645 -3.034 1.00 0.00 N ATOM 360 C8 DG A 12 -3.575 3.928 -3.343 1.00 0.00 C ATOM 361 N7 DG A 12 -3.107 4.611 -2.336 1.00 0.00 N ATOM 362 C5 DG A 12 -3.184 3.721 -1.271 1.00 0.00 C ATOM 363 C6 DG A 12 -2.800 3.890 0.093 1.00 0.00 C ATOM 364 O6 DG A 12 -2.259 4.866 0.607 1.00 0.00 O ATOM 365 N1 DG A 12 -3.105 2.776 0.873 1.00 0.00 N ATOM 366 C2 DG A 12 -3.703 1.625 0.391 1.00 0.00 C ATOM 367 N2 DG A 12 -3.997 0.668 1.277 1.00 0.00 N ATOM 368 N3 DG A 12 -4.010 1.444 -0.903 1.00 0.00 N ATOM 369 C4 DG A 12 -3.731 2.527 -1.680 1.00 0.00 C ATOM 0 H5' DG A 12 -2.113 1.344 -7.195 1.00 0.00 H new ATOM 0 H5'' DG A 12 -3.559 1.095 -8.154 1.00 0.00 H new ATOM 0 H4' DG A 12 -3.624 -0.310 -6.189 1.00 0.00 H new ATOM 0 H3' DG A 12 -5.841 1.229 -6.920 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.377 2.995 -5.267 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.478 1.943 -4.400 1.00 0.00 H new ATOM 0 H1' DG A 12 -4.694 0.746 -3.312 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.662 4.339 -4.338 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.872 2.812 1.865 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.438 -0.197 0.966 1.00 0.00 H new ATOM 0 H22 DG A 12 -3.780 0.803 2.264 1.00 0.00 H new ATOM 381 P DC A 13 -7.569 -0.493 -5.486 1.00 0.00 P ATOM 382 OP1 DC A 13 -7.875 -1.935 -5.620 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.233 0.484 -6.377 1.00 0.00 O ATOM 384 O5' DC A 13 -7.866 -0.062 -3.959 1.00 0.00 O ATOM 385 C5' DC A 13 -7.549 -0.917 -2.877 1.00 0.00 C ATOM 386 C4' DC A 13 -7.787 -0.219 -1.534 1.00 0.00 C ATOM 387 O4' DC A 13 -6.972 0.923 -1.385 1.00 0.00 O ATOM 388 C3' DC A 13 -9.216 0.289 -1.317 1.00 0.00 C ATOM 389 O3' DC A 13 -10.002 -0.678 -0.653 1.00 0.00 O ATOM 390 C2' DC A 13 -9.019 1.538 -0.450 1.00 0.00 C ATOM 391 C1' DC A 13 -7.499 1.623 -0.277 1.00 0.00 C ATOM 392 N1 DC A 13 -6.988 3.021 -0.242 1.00 0.00 N ATOM 393 C2 DC A 13 -6.375 3.497 0.920 1.00 0.00 C ATOM 394 O2 DC A 13 -6.351 2.834 1.955 1.00 0.00 O ATOM 395 N3 DC A 13 -5.792 4.728 0.888 1.00 0.00 N ATOM 396 C4 DC A 13 -5.815 5.484 -0.219 1.00 0.00 C ATOM 397 N4 DC A 13 -5.178 6.660 -0.205 1.00 0.00 N ATOM 398 C5 DC A 13 -6.495 5.045 -1.403 1.00 0.00 C ATOM 399 C6 DC A 13 -7.060 3.815 -1.362 1.00 0.00 C ATOM 0 H5' DC A 13 -6.507 -1.228 -2.949 1.00 0.00 H new ATOM 0 H5'' DC A 13 -8.156 -1.820 -2.933 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.558 -1.004 -0.813 1.00 0.00 H new ATOM 0 H3' DC A 13 -9.742 0.499 -2.248 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.417 2.429 -0.935 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.527 1.443 0.510 1.00 0.00 H new ATOM 0 HO3' DC A 13 -10.909 -0.330 -0.524 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.197 1.198 0.680 1.00 0.00 H new ATOM 0 H41 DC A 13 -5.182 7.252 -1.036 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.688 6.965 0.636 1.00 0.00 H new ATOM 0 H5 DC A 13 -6.554 5.666 -2.285 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.582 3.448 -2.233 1.00 0.00 H new TER 412 DC A 13