USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 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= 0.02 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.289 (180deg=-0.289) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.729 9.508 11.377 1.00 0.00 O ATOM 2 C5' DG A 1 -3.729 8.755 12.027 1.00 0.00 C ATOM 3 C4' DG A 1 -4.028 7.481 11.231 1.00 0.00 C ATOM 4 O4' DG A 1 -4.447 7.842 9.923 1.00 0.00 O ATOM 5 C3' DG A 1 -2.808 6.553 11.087 1.00 0.00 C ATOM 6 O3' DG A 1 -3.189 5.231 11.436 1.00 0.00 O ATOM 7 C2' DG A 1 -2.481 6.680 9.600 1.00 0.00 C ATOM 8 C1' DG A 1 -3.873 6.913 9.028 1.00 0.00 C ATOM 9 N9 DG A 1 -3.822 7.449 7.651 1.00 0.00 N ATOM 10 C8 DG A 1 -3.276 8.626 7.204 1.00 0.00 C ATOM 11 N7 DG A 1 -3.389 8.813 5.919 1.00 0.00 N ATOM 12 C5 DG A 1 -4.066 7.682 5.475 1.00 0.00 C ATOM 13 C6 DG A 1 -4.480 7.314 4.159 1.00 0.00 C ATOM 14 O6 DG A 1 -4.322 7.942 3.114 1.00 0.00 O ATOM 15 N1 DG A 1 -5.132 6.082 4.131 1.00 0.00 N ATOM 16 C2 DG A 1 -5.341 5.284 5.243 1.00 0.00 C ATOM 17 N2 DG A 1 -5.934 4.101 5.054 1.00 0.00 N ATOM 18 N3 DG A 1 -4.958 5.633 6.480 1.00 0.00 N ATOM 19 C4 DG A 1 -4.330 6.839 6.529 1.00 0.00 C ATOM 0 H5' DG A 1 -4.636 9.351 12.129 1.00 0.00 H new ATOM 0 H5'' DG A 1 -3.403 8.496 13.034 1.00 0.00 H new ATOM 0 H4' DG A 1 -4.799 6.943 11.782 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.958 6.799 11.723 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.804 7.509 9.394 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.014 5.780 9.200 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.775 9.348 10.411 1.00 0.00 H new ATOM 0 H1' DG A 1 -4.449 5.991 8.945 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.794 9.336 7.860 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.478 5.746 3.232 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.106 3.484 5.848 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.215 3.815 4.116 1.00 0.00 H new ATOM 32 P DC A 2 -2.156 3.985 11.396 1.00 0.00 P ATOM 33 OP1 DC A 2 -2.447 3.114 12.556 1.00 0.00 O ATOM 34 OP2 DC A 2 -0.787 4.514 11.205 1.00 0.00 O ATOM 35 O5' DC A 2 -2.582 3.198 10.050 1.00 0.00 O ATOM 36 C5' DC A 2 -3.805 2.486 9.973 1.00 0.00 C ATOM 37 C4' DC A 2 -3.917 1.715 8.652 1.00 0.00 C ATOM 38 O4' DC A 2 -3.941 2.618 7.557 1.00 0.00 O ATOM 39 C3' DC A 2 -2.747 0.739 8.438 1.00 0.00 C ATOM 40 O3' DC A 2 -3.256 -0.529 8.052 1.00 0.00 O ATOM 41 C2' DC A 2 -1.984 1.414 7.302 1.00 0.00 C ATOM 42 C1' DC A 2 -3.121 2.086 6.536 1.00 0.00 C ATOM 43 N1 DC A 2 -2.629 3.168 5.639 1.00 0.00 N ATOM 44 C2 DC A 2 -2.816 3.062 4.256 1.00 0.00 C ATOM 45 O2 DC A 2 -3.363 2.084 3.750 1.00 0.00 O ATOM 46 N3 DC A 2 -2.379 4.082 3.461 1.00 0.00 N ATOM 47 C4 DC A 2 -1.789 5.168 3.985 1.00 0.00 C ATOM 48 N4 DC A 2 -1.393 6.151 3.172 1.00 0.00 N ATOM 49 C5 DC A 2 -1.594 5.301 5.401 1.00 0.00 C ATOM 50 C6 DC A 2 -2.029 4.281 6.177 1.00 0.00 C ATOM 0 H5' DC A 2 -4.640 3.181 10.063 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.877 1.791 10.810 1.00 0.00 H new ATOM 0 H4' DC A 2 -4.843 1.143 8.708 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.128 0.555 9.316 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.253 2.135 7.669 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.442 0.696 6.687 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.642 1.388 5.881 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.943 6.982 3.557 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.540 6.071 2.166 1.00 0.00 H new ATOM 0 H5 DC A 2 -1.122 6.174 5.827 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.901 4.344 7.248 1.00 0.00 H new ATOM 62 P DA A 3 -2.309 -1.831 7.870 1.00 0.00 P ATOM 63 OP1 DA A 3 -2.895 -2.939 8.658 1.00 0.00 O ATOM 64 OP2 DA A 3 -0.901 -1.435 8.097 1.00 0.00 O ATOM 65 O5' DA A 3 -2.477 -2.180 6.303 1.00 0.00 O ATOM 66 C5' DA A 3 -3.690 -2.702 5.790 1.00 0.00 C ATOM 67 C4' DA A 3 -3.572 -2.979 4.288 1.00 0.00 C ATOM 68 O4' DA A 3 -3.297 -1.765 3.606 1.00 0.00 O ATOM 69 C3' DA A 3 -2.452 -3.977 3.963 1.00 0.00 C ATOM 70 O3' DA A 3 -2.914 -4.895 2.985 1.00 0.00 O ATOM 71 C2' DA A 3 -1.354 -3.058 3.440 1.00 0.00 C ATOM 72 C1' DA A 3 -2.161 -1.943 2.781 1.00 0.00 C ATOM 73 N9 DA A 3 -1.397 -0.677 2.730 1.00 0.00 N ATOM 74 C8 DA A 3 -0.860 0.021 3.782 1.00 0.00 C ATOM 75 N7 DA A 3 -0.295 1.148 3.451 1.00 0.00 N ATOM 76 C5 DA A 3 -0.468 1.202 2.075 1.00 0.00 C ATOM 77 C6 DA A 3 -0.103 2.156 1.105 1.00 0.00 C ATOM 78 N6 DA A 3 0.520 3.295 1.418 1.00 0.00 N ATOM 79 N1 DA A 3 -0.415 1.913 -0.183 1.00 0.00 N ATOM 80 C2 DA A 3 -1.054 0.786 -0.491 1.00 0.00 C ATOM 81 N3 DA A 3 -1.453 -0.186 0.325 1.00 0.00 N ATOM 82 C4 DA A 3 -1.128 0.086 1.619 1.00 0.00 C ATOM 0 H5' DA A 3 -4.500 -1.996 5.971 1.00 0.00 H new ATOM 0 H5'' DA A 3 -3.946 -3.622 6.315 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.519 -3.411 3.965 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.112 -4.592 4.796 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.719 -2.683 4.243 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.702 -3.565 2.729 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.415 -2.206 1.754 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.902 -0.334 4.801 1.00 0.00 H new ATOM 0 H61 DA A 3 0.767 3.959 0.685 1.00 0.00 H new ATOM 0 H62 DA A 3 0.749 3.500 2.391 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.277 0.643 -1.538 1.00 0.00 H new ATOM 94 P DT A 4 -2.005 -6.118 2.440 1.00 0.00 P ATOM 95 OP1 DT A 4 -2.903 -7.234 2.070 1.00 0.00 O ATOM 96 OP2 DT A 4 -0.900 -6.351 3.397 1.00 0.00 O ATOM 97 O5' DT A 4 -1.374 -5.507 1.088 1.00 0.00 O ATOM 98 C5' DT A 4 -2.179 -5.277 -0.053 1.00 0.00 C ATOM 99 C4' DT A 4 -1.357 -4.602 -1.154 1.00 0.00 C ATOM 100 O4' DT A 4 -0.874 -3.349 -0.702 1.00 0.00 O ATOM 101 C3' DT A 4 -0.145 -5.437 -1.608 1.00 0.00 C ATOM 102 O3' DT A 4 -0.273 -5.686 -3.000 1.00 0.00 O ATOM 103 C2' DT A 4 1.033 -4.525 -1.252 1.00 0.00 C ATOM 104 C1' DT A 4 0.386 -3.142 -1.301 1.00 0.00 C ATOM 105 N1 DT A 4 1.152 -2.109 -0.547 1.00 0.00 N ATOM 106 C2 DT A 4 1.593 -0.965 -1.218 1.00 0.00 C ATOM 107 O2 DT A 4 1.419 -0.772 -2.418 1.00 0.00 O ATOM 108 N3 DT A 4 2.256 -0.019 -0.447 1.00 0.00 N ATOM 109 C4 DT A 4 2.479 -0.092 0.921 1.00 0.00 C ATOM 110 O4 DT A 4 3.044 0.828 1.505 1.00 0.00 O ATOM 111 C5 DT A 4 1.995 -1.308 1.543 1.00 0.00 C ATOM 112 C7 DT A 4 2.227 -1.525 3.027 1.00 0.00 C ATOM 113 C6 DT A 4 1.363 -2.255 0.805 1.00 0.00 C ATOM 0 H5' DT A 4 -3.029 -4.648 0.213 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.583 -6.221 -0.418 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.032 -4.489 -2.003 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.035 -6.418 -1.146 1.00 0.00 H new ATOM 0 H2' DT A 4 1.441 -4.750 -0.267 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.852 -4.618 -1.965 1.00 0.00 H new ATOM 0 H1' DT A 4 0.339 -2.761 -2.321 1.00 0.00 H new ATOM 0 H3 DT A 4 2.612 0.805 -0.931 1.00 0.00 H new ATOM 0 H71 DT A 4 1.419 -2.131 3.437 1.00 0.00 H new ATOM 0 H72 DT A 4 3.177 -2.039 3.175 1.00 0.00 H new ATOM 0 H73 DT A 4 2.252 -0.561 3.536 1.00 0.00 H new ATOM 0 H6 DT A 4 1.014 -3.152 1.294 1.00 0.00 H new ATOM 126 P DC A 5 0.800 -6.549 -3.850 1.00 0.00 P ATOM 127 OP1 DC A 5 0.122 -7.072 -5.057 1.00 0.00 O ATOM 128 OP2 DC A 5 1.494 -7.479 -2.932 1.00 0.00 O ATOM 129 O5' DC A 5 1.849 -5.415 -4.310 1.00 0.00 O ATOM 130 C5' DC A 5 1.515 -4.487 -5.325 1.00 0.00 C ATOM 131 C4' DC A 5 2.575 -3.390 -5.417 1.00 0.00 C ATOM 132 O4' DC A 5 2.782 -2.763 -4.165 1.00 0.00 O ATOM 133 C3' DC A 5 3.947 -3.890 -5.893 1.00 0.00 C ATOM 134 O3' DC A 5 4.127 -3.537 -7.255 1.00 0.00 O ATOM 135 C2' DC A 5 4.922 -3.169 -4.959 1.00 0.00 C ATOM 136 C1' DC A 5 4.039 -2.135 -4.274 1.00 0.00 C ATOM 137 N1 DC A 5 4.582 -1.666 -2.969 1.00 0.00 N ATOM 138 C2 DC A 5 5.169 -0.398 -2.905 1.00 0.00 C ATOM 139 O2 DC A 5 5.326 0.292 -3.911 1.00 0.00 O ATOM 140 N3 DC A 5 5.582 0.071 -1.695 1.00 0.00 N ATOM 141 C4 DC A 5 5.450 -0.665 -0.584 1.00 0.00 C ATOM 142 N4 DC A 5 5.864 -0.153 0.579 1.00 0.00 N ATOM 143 C5 DC A 5 4.880 -1.982 -0.627 1.00 0.00 C ATOM 144 C6 DC A 5 4.459 -2.432 -1.833 1.00 0.00 C ATOM 0 H5' DC A 5 0.542 -4.044 -5.115 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.431 -5.001 -6.283 1.00 0.00 H new ATOM 0 H4' DC A 5 2.174 -2.694 -6.153 1.00 0.00 H new ATOM 0 H3' DC A 5 4.081 -4.971 -5.852 1.00 0.00 H new ATOM 0 H2' DC A 5 5.374 -3.853 -4.241 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.738 -2.701 -5.510 1.00 0.00 H new ATOM 0 H1' DC A 5 3.979 -1.211 -4.849 1.00 0.00 H new ATOM 0 H41 DC A 5 5.773 -0.697 1.437 1.00 0.00 H new ATOM 0 H42 DC A 5 6.271 0.782 0.609 1.00 0.00 H new ATOM 0 H5 DC A 5 4.791 -2.587 0.263 1.00 0.00 H new ATOM 0 H6 DC A 5 4.017 -3.415 -1.904 1.00 0.00 H new ATOM 156 P DG A 6 5.362 -4.086 -8.145 1.00 0.00 P ATOM 157 OP1 DG A 6 5.046 -3.834 -9.568 1.00 0.00 O ATOM 158 OP2 DG A 6 5.683 -5.460 -7.700 1.00 0.00 O ATOM 159 O5' DG A 6 6.592 -3.131 -7.732 1.00 0.00 O ATOM 160 C5' DG A 6 6.625 -1.764 -8.093 1.00 0.00 C ATOM 161 C4' DG A 6 7.857 -1.067 -7.502 1.00 0.00 C ATOM 162 O4' DG A 6 7.803 -1.096 -6.082 1.00 0.00 O ATOM 163 C3' DG A 6 9.184 -1.715 -7.916 1.00 0.00 C ATOM 164 O3' DG A 6 10.125 -0.657 -8.018 1.00 0.00 O ATOM 165 C2' DG A 6 9.446 -2.655 -6.739 1.00 0.00 C ATOM 166 C1' DG A 6 8.927 -1.803 -5.585 1.00 0.00 C ATOM 167 N9 DG A 6 8.554 -2.554 -4.362 1.00 0.00 N ATOM 168 C8 DG A 6 8.079 -3.837 -4.237 1.00 0.00 C ATOM 169 N7 DG A 6 7.793 -4.185 -3.014 1.00 0.00 N ATOM 170 C5 DG A 6 8.097 -3.057 -2.264 1.00 0.00 C ATOM 171 C6 DG A 6 8.007 -2.839 -0.856 1.00 0.00 C ATOM 172 O6 DG A 6 7.612 -3.617 0.009 1.00 0.00 O ATOM 173 N1 DG A 6 8.441 -1.569 -0.486 1.00 0.00 N ATOM 174 C2 DG A 6 8.878 -0.603 -1.372 1.00 0.00 C ATOM 175 N2 DG A 6 9.239 0.576 -0.855 1.00 0.00 N ATOM 176 N3 DG A 6 8.954 -0.805 -2.697 1.00 0.00 N ATOM 177 C4 DG A 6 8.559 -2.051 -3.080 1.00 0.00 C ATOM 0 H5' DG A 6 5.720 -1.270 -7.741 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.637 -1.672 -9.179 1.00 0.00 H new ATOM 0 H4' DG A 6 7.830 -0.049 -7.892 1.00 0.00 H new ATOM 0 H3' DG A 6 9.214 -2.255 -8.862 1.00 0.00 H new ATOM 0 H2' DG A 6 8.908 -3.598 -6.833 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.503 -2.900 -6.631 1.00 0.00 H new ATOM 0 H1' DG A 6 9.738 -1.151 -5.260 1.00 0.00 H new ATOM 0 H8 DG A 6 7.953 -4.500 -5.080 1.00 0.00 H new ATOM 0 H1 DG A 6 8.436 -1.336 0.507 1.00 0.00 H new ATOM 0 H21 DG A 6 9.569 1.322 -1.468 1.00 0.00 H new ATOM 0 H22 DG A 6 9.185 0.729 0.152 1.00 0.00 H new ATOM 189 P DA A 7 11.691 -0.872 -8.347 1.00 0.00 P ATOM 190 OP1 DA A 7 12.091 0.127 -9.363 1.00 0.00 O ATOM 191 OP2 DA A 7 11.949 -2.309 -8.584 1.00 0.00 O ATOM 192 O5' DA A 7 12.354 -0.457 -6.937 1.00 0.00 O ATOM 193 C5' DA A 7 12.301 0.882 -6.473 1.00 0.00 C ATOM 194 C4' DA A 7 12.867 0.979 -5.054 1.00 0.00 C ATOM 195 O4' DA A 7 12.085 0.149 -4.212 1.00 0.00 O ATOM 196 C3' DA A 7 14.328 0.508 -4.972 1.00 0.00 C ATOM 197 O3' DA A 7 15.221 1.504 -4.477 1.00 0.00 O ATOM 198 C2' DA A 7 14.243 -0.765 -4.131 1.00 0.00 C ATOM 199 C1' DA A 7 12.941 -0.572 -3.351 1.00 0.00 C ATOM 200 N9 DA A 7 12.308 -1.859 -2.989 1.00 0.00 N ATOM 201 C8 DA A 7 11.933 -2.889 -3.815 1.00 0.00 C ATOM 202 N7 DA A 7 11.385 -3.901 -3.201 1.00 0.00 N ATOM 203 C5 DA A 7 11.385 -3.509 -1.867 1.00 0.00 C ATOM 204 C6 DA A 7 10.925 -4.127 -0.685 1.00 0.00 C ATOM 205 N6 DA A 7 10.338 -5.329 -0.673 1.00 0.00 N ATOM 206 N1 DA A 7 11.051 -3.460 0.479 1.00 0.00 N ATOM 207 C2 DA A 7 11.603 -2.249 0.473 1.00 0.00 C ATOM 208 N3 DA A 7 12.073 -1.562 -0.565 1.00 0.00 N ATOM 209 C4 DA A 7 11.935 -2.258 -1.727 1.00 0.00 C ATOM 0 H5' DA A 7 11.271 1.237 -6.485 1.00 0.00 H new ATOM 0 H5'' DA A 7 12.869 1.528 -7.143 1.00 0.00 H new ATOM 0 H4' DA A 7 12.835 2.025 -4.748 1.00 0.00 H new ATOM 0 H3' DA A 7 14.768 0.309 -5.949 1.00 0.00 H new ATOM 0 H2' DA A 7 14.212 -1.659 -4.753 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.101 -0.868 -3.466 1.00 0.00 H new ATOM 0 H1' DA A 7 13.137 -0.052 -2.414 1.00 0.00 H new ATOM 0 H8 DA A 7 12.080 -2.864 -4.885 1.00 0.00 H new ATOM 0 H61 DA A 7 10.022 -5.734 0.209 1.00 0.00 H new ATOM 0 H62 DA A 7 10.206 -5.841 -1.545 1.00 0.00 H new ATOM 0 H2 DA A 7 11.679 -1.762 1.434 1.00 0.00 H new ATOM 221 P DC A 8 15.262 2.032 -2.944 1.00 0.00 P ATOM 222 OP1 DC A 8 16.050 1.069 -2.143 1.00 0.00 O ATOM 223 OP2 DC A 8 13.890 2.383 -2.518 1.00 0.00 O ATOM 224 O5' DC A 8 16.126 3.397 -3.065 1.00 0.00 O ATOM 225 C5' DC A 8 15.950 4.469 -2.155 1.00 0.00 C ATOM 226 C4' DC A 8 15.081 5.587 -2.756 1.00 0.00 C ATOM 227 O4' DC A 8 13.968 5.045 -3.456 1.00 0.00 O ATOM 228 C3' DC A 8 14.504 6.488 -1.654 1.00 0.00 C ATOM 229 O3' DC A 8 14.320 7.792 -2.194 1.00 0.00 O ATOM 230 C2' DC A 8 13.200 5.740 -1.379 1.00 0.00 C ATOM 231 C1' DC A 8 12.770 5.446 -2.816 1.00 0.00 C ATOM 232 N1 DC A 8 11.669 4.484 -3.125 1.00 0.00 N ATOM 233 C2 DC A 8 11.097 3.639 -2.162 1.00 0.00 C ATOM 234 O2 DC A 8 11.343 3.737 -0.963 1.00 0.00 O ATOM 235 N3 DC A 8 10.214 2.684 -2.583 1.00 0.00 N ATOM 236 C4 DC A 8 9.864 2.581 -3.873 1.00 0.00 C ATOM 237 N4 DC A 8 9.028 1.606 -4.236 1.00 0.00 N ATOM 238 C5 DC A 8 10.347 3.505 -4.854 1.00 0.00 C ATOM 239 C6 DC A 8 11.247 4.421 -4.432 1.00 0.00 C ATOM 0 H5' DC A 8 16.923 4.874 -1.877 1.00 0.00 H new ATOM 0 H5'' DC A 8 15.486 4.098 -1.241 1.00 0.00 H new ATOM 0 H4' DC A 8 15.727 6.154 -3.426 1.00 0.00 H new ATOM 0 H3' DC A 8 15.099 6.645 -0.755 1.00 0.00 H new ATOM 0 H2' DC A 8 13.353 4.833 -0.794 1.00 0.00 H new ATOM 0 H2'' DC A 8 12.474 6.349 -0.841 1.00 0.00 H new ATOM 0 H1' DC A 8 12.285 6.358 -3.165 1.00 0.00 H new ATOM 0 H41 DC A 8 8.749 1.510 -5.213 1.00 0.00 H new ATOM 0 H42 DC A 8 8.668 0.956 -3.537 1.00 0.00 H new ATOM 0 H5 DC A 8 10.009 3.472 -5.879 1.00 0.00 H new ATOM 0 H6 DC A 8 11.648 5.126 -5.145 1.00 0.00 H new ATOM 251 P DG A 9 13.523 8.978 -1.428 1.00 0.00 P ATOM 252 OP1 DG A 9 14.060 10.271 -1.909 1.00 0.00 O ATOM 253 OP2 DG A 9 13.515 8.684 0.023 1.00 0.00 O ATOM 254 O5' DG A 9 12.014 8.825 -1.992 1.00 0.00 O ATOM 255 C5' DG A 9 11.723 9.060 -3.360 1.00 0.00 C ATOM 256 C4' DG A 9 10.297 8.624 -3.729 1.00 0.00 C ATOM 257 O4' DG A 9 9.884 7.448 -3.047 1.00 0.00 O ATOM 258 C3' DG A 9 9.218 9.699 -3.500 1.00 0.00 C ATOM 259 O3' DG A 9 8.716 10.056 -4.782 1.00 0.00 O ATOM 260 C2' DG A 9 8.217 8.963 -2.604 1.00 0.00 C ATOM 261 C1' DG A 9 8.473 7.508 -2.975 1.00 0.00 C ATOM 262 N9 DG A 9 7.927 6.538 -1.994 1.00 0.00 N ATOM 263 C8 DG A 9 7.762 6.662 -0.635 1.00 0.00 C ATOM 264 N7 DG A 9 7.375 5.569 -0.041 1.00 0.00 N ATOM 265 C5 DG A 9 7.211 4.665 -1.083 1.00 0.00 C ATOM 266 C6 DG A 9 6.750 3.316 -1.057 1.00 0.00 C ATOM 267 O6 DG A 9 6.535 2.612 -0.074 1.00 0.00 O ATOM 268 N1 DG A 9 6.521 2.808 -2.333 1.00 0.00 N ATOM 269 C2 DG A 9 6.740 3.514 -3.503 1.00 0.00 C ATOM 270 N2 DG A 9 6.387 2.921 -4.648 1.00 0.00 N ATOM 271 N3 DG A 9 7.255 4.754 -3.530 1.00 0.00 N ATOM 272 C4 DG A 9 7.461 5.276 -2.290 1.00 0.00 C ATOM 0 H5' DG A 9 12.439 8.521 -3.981 1.00 0.00 H new ATOM 0 H5'' DG A 9 11.846 10.121 -3.580 1.00 0.00 H new ATOM 0 H4' DG A 9 10.375 8.434 -4.800 1.00 0.00 H new ATOM 0 H3' DG A 9 9.526 10.634 -3.031 1.00 0.00 H new ATOM 0 H2' DG A 9 8.399 9.153 -1.546 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.189 9.262 -2.809 1.00 0.00 H new ATOM 0 H1' DG A 9 7.972 7.227 -3.901 1.00 0.00 H new ATOM 0 H8 DG A 9 7.938 7.586 -0.105 1.00 0.00 H new ATOM 0 H1 DG A 9 6.169 1.854 -2.410 1.00 0.00 H new ATOM 0 H21 DG A 9 6.529 3.402 -5.536 1.00 0.00 H new ATOM 0 H22 DG A 9 5.976 1.988 -4.633 1.00 0.00 H new ATOM 284 P DA A 10 7.359 10.896 -5.031 1.00 0.00 P ATOM 285 OP1 DA A 10 7.527 11.694 -6.266 1.00 0.00 O ATOM 286 OP2 DA A 10 6.960 11.562 -3.771 1.00 0.00 O ATOM 287 O5' DA A 10 6.321 9.696 -5.340 1.00 0.00 O ATOM 288 C5' DA A 10 6.499 8.862 -6.473 1.00 0.00 C ATOM 289 C4' DA A 10 5.479 7.721 -6.490 1.00 0.00 C ATOM 290 O4' DA A 10 5.556 6.953 -5.304 1.00 0.00 O ATOM 291 C3' DA A 10 4.025 8.195 -6.633 1.00 0.00 C ATOM 292 O3' DA A 10 3.559 7.882 -7.938 1.00 0.00 O ATOM 293 C2' DA A 10 3.308 7.417 -5.526 1.00 0.00 C ATOM 294 C1' DA A 10 4.303 6.325 -5.154 1.00 0.00 C ATOM 295 N9 DA A 10 4.110 5.866 -3.761 1.00 0.00 N ATOM 296 C8 DA A 10 4.399 6.541 -2.600 1.00 0.00 C ATOM 297 N7 DA A 10 4.178 5.857 -1.513 1.00 0.00 N ATOM 298 C5 DA A 10 3.711 4.636 -1.984 1.00 0.00 C ATOM 299 C6 DA A 10 3.328 3.445 -1.334 1.00 0.00 C ATOM 300 N6 DA A 10 3.376 3.310 -0.006 1.00 0.00 N ATOM 301 N1 DA A 10 2.923 2.402 -2.085 1.00 0.00 N ATOM 302 C2 DA A 10 2.894 2.538 -3.410 1.00 0.00 C ATOM 303 N3 DA A 10 3.230 3.601 -4.140 1.00 0.00 N ATOM 304 C4 DA A 10 3.644 4.635 -3.355 1.00 0.00 C ATOM 0 H5' DA A 10 7.508 8.450 -6.469 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.400 9.455 -7.382 1.00 0.00 H new ATOM 0 H4' DA A 10 5.741 7.128 -7.367 1.00 0.00 H new ATOM 0 H3' DA A 10 3.869 9.269 -6.527 1.00 0.00 H new ATOM 0 H2' DA A 10 3.076 8.055 -4.673 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.365 6.998 -5.877 1.00 0.00 H new ATOM 0 H1' DA A 10 4.193 5.434 -5.772 1.00 0.00 H new ATOM 0 H8 DA A 10 4.777 7.553 -2.589 1.00 0.00 H new ATOM 0 H61 DA A 10 3.090 2.432 0.428 1.00 0.00 H new ATOM 0 H62 DA A 10 3.698 4.085 0.574 1.00 0.00 H new ATOM 0 H2 DA A 10 2.554 1.675 -3.964 1.00 0.00 H new ATOM 316 P DT A 11 2.089 8.304 -8.473 1.00 0.00 P ATOM 317 OP1 DT A 11 2.139 8.363 -9.950 1.00 0.00 O ATOM 318 OP2 DT A 11 1.628 9.484 -7.707 1.00 0.00 O ATOM 319 O5' DT A 11 1.173 7.046 -8.053 1.00 0.00 O ATOM 320 C5' DT A 11 1.346 5.781 -8.663 1.00 0.00 C ATOM 321 C4' DT A 11 0.495 4.731 -7.945 1.00 0.00 C ATOM 322 O4' DT A 11 0.880 4.660 -6.584 1.00 0.00 O ATOM 323 C3' DT A 11 -1.013 5.027 -7.988 1.00 0.00 C ATOM 324 O3' DT A 11 -1.675 3.975 -8.673 1.00 0.00 O ATOM 325 C2' DT A 11 -1.390 5.101 -6.508 1.00 0.00 C ATOM 326 C1' DT A 11 -0.267 4.312 -5.841 1.00 0.00 C ATOM 327 N1 DT A 11 -0.087 4.669 -4.406 1.00 0.00 N ATOM 328 C2 DT A 11 -0.304 3.692 -3.434 1.00 0.00 C ATOM 329 O2 DT A 11 -0.709 2.560 -3.689 1.00 0.00 O ATOM 330 N3 DT A 11 -0.040 4.065 -2.123 1.00 0.00 N ATOM 331 C4 DT A 11 0.417 5.303 -1.701 1.00 0.00 C ATOM 332 O4 DT A 11 0.680 5.495 -0.517 1.00 0.00 O ATOM 333 C5 DT A 11 0.548 6.283 -2.761 1.00 0.00 C ATOM 334 C7 DT A 11 0.927 7.707 -2.404 1.00 0.00 C ATOM 335 C6 DT A 11 0.298 5.942 -4.050 1.00 0.00 C ATOM 0 H5' DT A 11 2.397 5.493 -8.630 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.063 5.834 -9.714 1.00 0.00 H new ATOM 0 H4' DT A 11 0.668 3.792 -8.471 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.289 5.939 -8.517 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.431 6.130 -6.151 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.367 4.658 -6.316 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.478 3.243 -5.840 1.00 0.00 H new ATOM 0 H3 DT A 11 -0.197 3.361 -1.402 1.00 0.00 H new ATOM 0 H71 DT A 11 1.484 8.153 -3.228 1.00 0.00 H new ATOM 0 H72 DT A 11 0.024 8.289 -2.219 1.00 0.00 H new ATOM 0 H73 DT A 11 1.547 7.705 -1.507 1.00 0.00 H new ATOM 0 H6 DT A 11 0.404 6.692 -4.820 1.00 0.00 H new ATOM 348 P DG A 12 -3.262 4.001 -8.983 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.511 3.153 -10.170 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.720 5.408 -8.979 1.00 0.00 O ATOM 351 O5' DG A 12 -3.895 3.265 -7.695 1.00 0.00 O ATOM 352 C5' DG A 12 -3.755 1.871 -7.500 1.00 0.00 C ATOM 353 C4' DG A 12 -4.421 1.440 -6.189 1.00 0.00 C ATOM 354 O4' DG A 12 -3.701 1.964 -5.080 1.00 0.00 O ATOM 355 C3' DG A 12 -5.874 1.930 -6.074 1.00 0.00 C ATOM 356 O3' DG A 12 -6.695 0.845 -5.665 1.00 0.00 O ATOM 357 C2' DG A 12 -5.745 3.009 -4.999 1.00 0.00 C ATOM 358 C1' DG A 12 -4.646 2.408 -4.129 1.00 0.00 C ATOM 359 N9 DG A 12 -4.039 3.380 -3.188 1.00 0.00 N ATOM 360 C8 DG A 12 -3.560 4.641 -3.447 1.00 0.00 C ATOM 361 N7 DG A 12 -3.023 5.234 -2.419 1.00 0.00 N ATOM 362 C5 DG A 12 -3.158 4.306 -1.394 1.00 0.00 C ATOM 363 C6 DG A 12 -2.751 4.388 -0.030 1.00 0.00 C ATOM 364 O6 DG A 12 -2.140 5.302 0.515 1.00 0.00 O ATOM 365 N1 DG A 12 -3.133 3.273 0.711 1.00 0.00 N ATOM 366 C2 DG A 12 -3.815 2.188 0.190 1.00 0.00 C ATOM 367 N2 DG A 12 -4.164 1.221 1.044 1.00 0.00 N ATOM 368 N3 DG A 12 -4.147 2.086 -1.108 1.00 0.00 N ATOM 369 C4 DG A 12 -3.799 3.176 -1.846 1.00 0.00 C ATOM 0 H5' DG A 12 -2.698 1.605 -7.482 1.00 0.00 H new ATOM 0 H5'' DG A 12 -4.204 1.335 -8.336 1.00 0.00 H new ATOM 0 H4' DG A 12 -4.416 0.350 -6.188 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.326 2.307 -6.991 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.462 3.976 -5.415 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.674 3.158 -4.449 1.00 0.00 H new ATOM 0 H1' DG A 12 -5.029 1.622 -3.478 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.623 5.102 -4.421 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.895 3.255 1.703 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.668 0.401 0.707 1.00 0.00 H new ATOM 0 H22 DG A 12 -3.926 1.303 2.032 1.00 0.00 H new ATOM 381 P DC A 13 -8.281 1.000 -5.386 1.00 0.00 P ATOM 382 OP1 DC A 13 -8.926 -0.307 -5.642 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.770 2.209 -6.086 1.00 0.00 O ATOM 384 O5' DC A 13 -8.333 1.283 -3.798 1.00 0.00 O ATOM 385 C5' DC A 13 -8.055 0.257 -2.864 1.00 0.00 C ATOM 386 C4' DC A 13 -8.082 0.800 -1.433 1.00 0.00 C ATOM 387 O4' DC A 13 -7.123 1.820 -1.253 1.00 0.00 O ATOM 388 C3' DC A 13 -9.417 1.423 -1.012 1.00 0.00 C ATOM 389 O3' DC A 13 -10.233 0.479 -0.351 1.00 0.00 O ATOM 390 C2' DC A 13 -9.000 2.557 -0.071 1.00 0.00 C ATOM 391 C1' DC A 13 -7.471 2.474 -0.051 1.00 0.00 C ATOM 392 N1 DC A 13 -6.829 3.815 0.038 1.00 0.00 N ATOM 393 C2 DC A 13 -6.208 4.201 1.228 1.00 0.00 C ATOM 394 O2 DC A 13 -6.219 3.475 2.220 1.00 0.00 O ATOM 395 N3 DC A 13 -5.582 5.412 1.274 1.00 0.00 N ATOM 396 C4 DC A 13 -5.549 6.219 0.202 1.00 0.00 C ATOM 397 N4 DC A 13 -4.908 7.388 0.294 1.00 0.00 N ATOM 398 C5 DC A 13 -6.190 5.849 -1.028 1.00 0.00 C ATOM 399 C6 DC A 13 -6.814 4.648 -1.054 1.00 0.00 C ATOM 0 H5' DC A 13 -7.077 -0.177 -3.074 1.00 0.00 H new ATOM 0 H5'' DC A 13 -8.788 -0.543 -2.968 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.883 -0.083 -0.826 1.00 0.00 H new ATOM 0 H3' DC A 13 -10.009 1.773 -1.857 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.343 3.525 -0.435 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.421 2.424 0.926 1.00 0.00 H new ATOM 0 HO3' DC A 13 -11.078 0.902 -0.091 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.120 1.936 0.830 1.00 0.00 H new ATOM 0 H41 DC A 13 -4.872 8.015 -0.510 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.455 7.654 1.168 1.00 0.00 H new ATOM 0 H5 DC A 13 -6.175 6.498 -1.891 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.314 4.336 -1.959 1.00 0.00 H new TER 412 DC A 13