USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.00304) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.0361 (180deg=-1.59) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.446 -10.325 4.230 1.00 0.00 O ATOM 2 C5' DG A 1 1.039 -9.196 5.010 1.00 0.00 C ATOM 3 C4' DG A 1 -0.363 -9.380 5.543 1.00 0.00 C ATOM 4 O4' DG A 1 -0.764 -8.171 6.228 1.00 0.00 O ATOM 5 C3' DG A 1 -1.433 -9.618 4.482 1.00 0.00 C ATOM 6 O3' DG A 1 -2.511 -10.392 5.022 1.00 0.00 O ATOM 7 C2' DG A 1 -1.895 -8.213 4.141 1.00 0.00 C ATOM 8 C1' DG A 1 -1.704 -7.446 5.444 1.00 0.00 C ATOM 9 N9 DG A 1 -1.187 -6.093 5.268 1.00 0.00 N ATOM 10 C8 DG A 1 -1.530 -4.974 5.985 1.00 0.00 C ATOM 11 N7 DG A 1 -0.902 -3.899 5.594 1.00 0.00 N ATOM 12 C5 DG A 1 -0.095 -4.335 4.552 1.00 0.00 C ATOM 13 C6 DG A 1 0.817 -3.623 3.732 1.00 0.00 C ATOM 14 O6 DG A 1 1.095 -2.420 3.744 1.00 0.00 O ATOM 15 N1 DG A 1 1.436 -4.456 2.814 1.00 0.00 N ATOM 16 C2 DG A 1 1.187 -5.799 2.673 1.00 0.00 C ATOM 17 N2 DG A 1 1.837 -6.423 1.689 1.00 0.00 N ATOM 18 N3 DG A 1 0.345 -6.477 3.430 1.00 0.00 N ATOM 19 C4 DG A 1 -0.257 -5.688 4.343 1.00 0.00 C ATOM 0 H5' DG A 1 1.084 -8.294 4.400 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.731 -9.055 5.840 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.307 -10.265 6.177 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.070 -10.171 3.616 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.305 -7.782 3.332 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.936 -8.201 3.818 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.356 -10.181 3.895 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.684 -7.352 5.912 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.248 -4.982 6.792 1.00 0.00 H new ATOM 0 H1 DG A 1 2.131 -4.039 2.195 1.00 0.00 H new ATOM 0 H21 DG A 1 1.693 -7.421 1.535 1.00 0.00 H new ATOM 0 H22 DG A 1 2.478 -5.902 1.091 1.00 0.00 H new ATOM 32 P DG A 2 -3.807 -10.697 4.119 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.543 -11.831 4.733 1.00 0.00 O ATOM 34 OP2 DG A 2 -3.364 -10.791 2.704 1.00 0.00 O ATOM 35 O5' DG A 2 -4.696 -9.384 4.269 1.00 0.00 O ATOM 36 C5' DG A 2 -5.084 -8.899 5.556 1.00 0.00 C ATOM 37 C4' DG A 2 -5.969 -7.684 5.412 1.00 0.00 C ATOM 38 O4' DG A 2 -5.140 -6.545 5.073 1.00 0.00 O ATOM 39 C3' DG A 2 -7.030 -7.791 4.311 1.00 0.00 C ATOM 40 O3' DG A 2 -8.320 -7.450 4.830 1.00 0.00 O ATOM 41 C2' DG A 2 -6.594 -6.777 3.265 1.00 0.00 C ATOM 42 C1' DG A 2 -5.771 -5.788 4.062 1.00 0.00 C ATOM 43 N9 DG A 2 -4.734 -5.106 3.293 1.00 0.00 N ATOM 44 C8 DG A 2 -3.877 -5.667 2.379 1.00 0.00 C ATOM 45 N7 DG A 2 -3.058 -4.806 1.845 1.00 0.00 N ATOM 46 C5 DG A 2 -3.398 -3.598 2.434 1.00 0.00 C ATOM 47 C6 DG A 2 -2.862 -2.304 2.239 1.00 0.00 C ATOM 48 O6 DG A 2 -1.948 -1.957 1.486 1.00 0.00 O ATOM 49 N1 DG A 2 -3.503 -1.359 3.033 1.00 0.00 N ATOM 50 C2 DG A 2 -4.522 -1.631 3.913 1.00 0.00 C ATOM 51 N2 DG A 2 -5.005 -0.592 4.599 1.00 0.00 N ATOM 52 N3 DG A 2 -5.032 -2.836 4.104 1.00 0.00 N ATOM 53 C4 DG A 2 -4.428 -3.766 3.335 1.00 0.00 C ATOM 0 H5' DG A 2 -4.199 -8.646 6.139 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.613 -9.680 6.102 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.488 -7.586 6.366 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.111 -8.799 3.905 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.007 -7.243 2.473 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.449 -6.297 2.788 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.436 -5.005 4.427 1.00 0.00 H new ATOM 0 H8 DG A 2 -3.881 -6.717 2.128 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.193 -0.390 2.956 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.763 -0.730 5.268 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.616 0.340 4.454 1.00 0.00 H new ATOM 65 P DT A 3 -9.642 -7.852 4.008 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.791 -7.198 4.681 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.645 -9.326 3.814 1.00 0.00 O ATOM 68 O5' DT A 3 -9.437 -7.154 2.590 1.00 0.00 O ATOM 69 C5' DT A 3 -10.062 -7.674 1.415 1.00 0.00 C ATOM 70 C4' DT A 3 -10.790 -6.572 0.679 1.00 0.00 C ATOM 71 O4' DT A 3 -11.757 -5.970 1.576 1.00 0.00 O ATOM 72 C3' DT A 3 -9.903 -5.426 0.189 1.00 0.00 C ATOM 73 O3' DT A 3 -10.368 -4.951 -1.080 1.00 0.00 O ATOM 74 C2' DT A 3 -10.085 -4.363 1.257 1.00 0.00 C ATOM 75 C1' DT A 3 -11.532 -4.573 1.657 1.00 0.00 C ATOM 76 N1 DT A 3 -11.877 -4.137 3.025 1.00 0.00 N ATOM 77 C2 DT A 3 -13.063 -3.462 3.205 1.00 0.00 C ATOM 78 O2 DT A 3 -13.828 -3.203 2.292 1.00 0.00 O ATOM 79 N3 DT A 3 -13.324 -3.098 4.499 1.00 0.00 N ATOM 80 C4 DT A 3 -12.537 -3.332 5.606 1.00 0.00 C ATOM 81 O4 DT A 3 -12.910 -2.951 6.711 1.00 0.00 O ATOM 82 C5 DT A 3 -11.302 -4.040 5.346 1.00 0.00 C ATOM 83 C7 DT A 3 -10.380 -4.331 6.489 1.00 0.00 C ATOM 84 C6 DT A 3 -11.033 -4.405 4.085 1.00 0.00 C ATOM 0 H5' DT A 3 -10.762 -8.464 1.686 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.312 -8.122 0.764 1.00 0.00 H new ATOM 0 H4' DT A 3 -11.228 -7.056 -0.194 1.00 0.00 H new ATOM 0 H3' DT A 3 -8.861 -5.714 0.048 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.404 -4.505 2.096 1.00 0.00 H new ATOM 0 H2'' DT A 3 -9.909 -3.359 0.870 1.00 0.00 H new ATOM 0 H1' DT A 3 -12.149 -3.968 0.993 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.198 -2.598 4.662 1.00 0.00 H new ATOM 0 H71 DT A 3 -10.481 -3.553 7.245 1.00 0.00 H new ATOM 0 H72 DT A 3 -10.635 -5.297 6.926 1.00 0.00 H new ATOM 0 H73 DT A 3 -9.351 -4.356 6.129 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.112 -4.934 3.888 1.00 0.00 H new ATOM 97 P DT A 4 -9.457 -3.945 -1.943 1.00 0.00 P ATOM 98 OP1 DT A 4 -9.555 -2.601 -1.318 1.00 0.00 O ATOM 99 OP2 DT A 4 -9.823 -4.117 -3.372 1.00 0.00 O ATOM 100 O5' DT A 4 -7.971 -4.481 -1.724 1.00 0.00 O ATOM 101 C5' DT A 4 -7.432 -5.519 -2.545 1.00 0.00 C ATOM 102 C4' DT A 4 -6.954 -4.953 -3.863 1.00 0.00 C ATOM 103 O4' DT A 4 -7.240 -3.531 -3.910 1.00 0.00 O ATOM 104 C3' DT A 4 -5.449 -5.087 -4.112 1.00 0.00 C ATOM 105 O3' DT A 4 -5.196 -5.398 -5.486 1.00 0.00 O ATOM 106 C2' DT A 4 -4.906 -3.712 -3.768 1.00 0.00 C ATOM 107 C1' DT A 4 -6.052 -2.798 -4.154 1.00 0.00 C ATOM 108 N1 DT A 4 -6.123 -1.540 -3.382 1.00 0.00 N ATOM 109 C2 DT A 4 -5.945 -0.358 -4.067 1.00 0.00 C ATOM 110 O2 DT A 4 -5.750 -0.308 -5.269 1.00 0.00 O ATOM 111 N3 DT A 4 -6.004 0.767 -3.291 1.00 0.00 N ATOM 112 C4 DT A 4 -6.217 0.832 -1.931 1.00 0.00 C ATOM 113 O4 DT A 4 -6.240 1.922 -1.370 1.00 0.00 O ATOM 114 C5 DT A 4 -6.400 -0.442 -1.273 1.00 0.00 C ATOM 115 C7 DT A 4 -6.584 -0.469 0.212 1.00 0.00 C ATOM 116 C6 DT A 4 -6.353 -1.554 -2.019 1.00 0.00 C ATOM 0 H5' DT A 4 -8.190 -6.282 -2.723 1.00 0.00 H new ATOM 0 H5'' DT A 4 -6.604 -6.006 -2.030 1.00 0.00 H new ATOM 0 H4' DT A 4 -7.480 -5.533 -4.621 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.989 -5.883 -3.527 1.00 0.00 H new ATOM 0 H2' DT A 4 -4.658 -3.627 -2.710 1.00 0.00 H new ATOM 0 H2'' DT A 4 -3.999 -3.483 -4.327 1.00 0.00 H new ATOM 0 H1' DT A 4 -5.909 -2.503 -5.194 1.00 0.00 H new ATOM 0 H3 DT A 4 -5.876 1.657 -3.773 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.205 -1.322 0.486 1.00 0.00 H new ATOM 0 H72 DT A 4 -5.612 -0.557 0.698 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.069 0.452 0.535 1.00 0.00 H new ATOM 0 H6 DT A 4 -6.502 -2.507 -1.532 1.00 0.00 H new ATOM 129 P DG A 5 -4.604 -6.841 -5.884 1.00 0.00 P ATOM 130 OP1 DG A 5 -5.040 -7.120 -7.276 1.00 0.00 O ATOM 131 OP2 DG A 5 -4.942 -7.804 -4.804 1.00 0.00 O ATOM 132 O5' DG A 5 -3.025 -6.622 -5.899 1.00 0.00 O ATOM 133 C5' DG A 5 -2.168 -7.339 -5.005 1.00 0.00 C ATOM 134 C4' DG A 5 -0.764 -7.396 -5.560 1.00 0.00 C ATOM 135 O4' DG A 5 -0.232 -6.050 -5.619 1.00 0.00 O ATOM 136 C3' DG A 5 0.227 -8.207 -4.723 1.00 0.00 C ATOM 137 O3' DG A 5 1.150 -8.904 -5.568 1.00 0.00 O ATOM 138 C2' DG A 5 0.945 -7.154 -3.900 1.00 0.00 C ATOM 139 C1' DG A 5 0.915 -5.925 -4.793 1.00 0.00 C ATOM 140 N9 DG A 5 0.803 -4.669 -4.061 1.00 0.00 N ATOM 141 C8 DG A 5 1.280 -3.436 -4.434 1.00 0.00 C ATOM 142 N7 DG A 5 1.008 -2.497 -3.569 1.00 0.00 N ATOM 143 C5 DG A 5 0.311 -3.152 -2.564 1.00 0.00 C ATOM 144 C6 DG A 5 -0.250 -2.656 -1.360 1.00 0.00 C ATOM 145 O6 DG A 5 -0.240 -1.498 -0.928 1.00 0.00 O ATOM 146 N1 DG A 5 -0.871 -3.667 -0.631 1.00 0.00 N ATOM 147 C2 DG A 5 -0.930 -4.988 -1.006 1.00 0.00 C ATOM 148 N2 DG A 5 -1.546 -5.826 -0.166 1.00 0.00 N ATOM 149 N3 DG A 5 -0.416 -5.459 -2.125 1.00 0.00 N ATOM 150 C4 DG A 5 0.183 -4.494 -2.851 1.00 0.00 C ATOM 0 H5' DG A 5 -2.549 -8.349 -4.856 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.161 -6.854 -4.029 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.859 -7.882 -6.531 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.257 -8.967 -4.110 1.00 0.00 H new ATOM 0 H2' DG A 5 0.440 -6.973 -2.951 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.966 -7.455 -3.666 1.00 0.00 H new ATOM 0 H1' DG A 5 1.855 -5.886 -5.344 1.00 0.00 H new ATOM 0 H8 DG A 5 1.825 -3.261 -5.350 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.316 -3.407 0.249 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.618 -6.817 -0.396 1.00 0.00 H new ATOM 0 H22 DG A 5 -1.944 -5.474 0.705 1.00 0.00 H new ATOM 162 P DG A 6 2.397 -9.685 -4.915 1.00 0.00 P ATOM 163 OP1 DG A 6 2.916 -10.626 -5.938 1.00 0.00 O ATOM 164 OP2 DG A 6 1.985 -10.202 -3.584 1.00 0.00 O ATOM 165 O5' DG A 6 3.488 -8.545 -4.694 1.00 0.00 O ATOM 166 C5' DG A 6 3.920 -7.724 -5.780 1.00 0.00 C ATOM 167 C4' DG A 6 4.987 -6.760 -5.316 1.00 0.00 C ATOM 168 O4' DG A 6 4.416 -5.862 -4.335 1.00 0.00 O ATOM 169 C3' DG A 6 6.193 -7.422 -4.626 1.00 0.00 C ATOM 170 O3' DG A 6 7.460 -6.865 -5.036 1.00 0.00 O ATOM 171 C2' DG A 6 5.975 -7.103 -3.155 1.00 0.00 C ATOM 172 C1' DG A 6 5.332 -5.737 -3.271 1.00 0.00 C ATOM 173 N9 DG A 6 4.601 -5.255 -2.102 1.00 0.00 N ATOM 174 C8 DG A 6 3.872 -5.984 -1.193 1.00 0.00 C ATOM 175 N7 DG A 6 3.361 -5.253 -0.240 1.00 0.00 N ATOM 176 C5 DG A 6 3.765 -3.961 -0.546 1.00 0.00 C ATOM 177 C6 DG A 6 3.512 -2.730 0.121 1.00 0.00 C ATOM 178 O6 DG A 6 2.832 -2.518 1.140 1.00 0.00 O ATOM 179 N1 DG A 6 4.125 -1.667 -0.530 1.00 0.00 N ATOM 180 C2 DG A 6 4.850 -1.761 -1.690 1.00 0.00 C ATOM 181 N2 DG A 6 5.310 -0.614 -2.196 1.00 0.00 N ATOM 182 N3 DG A 6 5.094 -2.894 -2.318 1.00 0.00 N ATOM 183 C4 DG A 6 4.527 -3.946 -1.695 1.00 0.00 C ATOM 0 H5' DG A 6 3.073 -7.171 -6.187 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.309 -8.348 -6.584 1.00 0.00 H new ATOM 0 H4' DG A 6 5.338 -6.265 -6.222 1.00 0.00 H new ATOM 0 H3' DG A 6 6.244 -8.483 -4.869 1.00 0.00 H new ATOM 0 H2' DG A 6 5.326 -7.828 -2.664 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.908 -7.077 -2.592 1.00 0.00 H new ATOM 0 H1' DG A 6 6.132 -5.009 -3.406 1.00 0.00 H new ATOM 0 H8 DG A 6 3.736 -7.053 -1.260 1.00 0.00 H new ATOM 0 H1 DG A 6 4.028 -0.742 -0.111 1.00 0.00 H new ATOM 0 H21 DG A 6 5.856 -0.619 -3.057 1.00 0.00 H new ATOM 0 H22 DG A 6 5.115 0.267 -1.721 1.00 0.00 H new ATOM 195 P DT A 7 7.569 -5.958 -6.364 1.00 0.00 P ATOM 196 OP1 DT A 7 7.078 -6.758 -7.516 1.00 0.00 O ATOM 197 OP2 DT A 7 8.947 -5.407 -6.393 1.00 0.00 O ATOM 198 O5' DT A 7 6.533 -4.773 -6.100 1.00 0.00 O ATOM 199 C5' DT A 7 6.824 -3.424 -6.475 1.00 0.00 C ATOM 200 C4' DT A 7 8.032 -2.923 -5.717 1.00 0.00 C ATOM 201 O4' DT A 7 9.111 -2.778 -6.666 1.00 0.00 O ATOM 202 C3' DT A 7 7.871 -1.571 -5.017 1.00 0.00 C ATOM 203 O3' DT A 7 7.885 -1.757 -3.593 1.00 0.00 O ATOM 204 C2' DT A 7 9.072 -0.748 -5.467 1.00 0.00 C ATOM 205 C1' DT A 7 9.894 -1.638 -6.385 1.00 0.00 C ATOM 206 N1 DT A 7 10.262 -1.028 -7.678 1.00 0.00 N ATOM 207 C2 DT A 7 11.427 -1.438 -8.286 1.00 0.00 C ATOM 208 O2 DT A 7 12.189 -2.250 -7.790 1.00 0.00 O ATOM 209 N3 DT A 7 11.671 -0.857 -9.503 1.00 0.00 N ATOM 210 C4 DT A 7 10.884 0.067 -10.158 1.00 0.00 C ATOM 211 O4 DT A 7 11.231 0.495 -11.255 1.00 0.00 O ATOM 212 C5 DT A 7 9.679 0.456 -9.459 1.00 0.00 C ATOM 213 C7 DT A 7 8.692 1.344 -10.147 1.00 0.00 C ATOM 214 C6 DT A 7 9.440 -0.087 -8.261 1.00 0.00 C ATOM 0 H5' DT A 7 5.964 -2.787 -6.267 1.00 0.00 H new ATOM 0 H5'' DT A 7 7.009 -3.368 -7.548 1.00 0.00 H new ATOM 0 H4' DT A 7 8.209 -3.655 -4.929 1.00 0.00 H new ATOM 0 H3' DT A 7 6.931 -1.079 -5.266 1.00 0.00 H new ATOM 0 H2' DT A 7 8.750 0.153 -5.989 1.00 0.00 H new ATOM 0 H2'' DT A 7 9.663 -0.426 -4.610 1.00 0.00 H new ATOM 0 H1' DT A 7 10.828 -1.849 -5.865 1.00 0.00 H new ATOM 0 H3 DT A 7 12.529 -1.139 -9.977 1.00 0.00 H new ATOM 0 H71 DT A 7 7.689 1.126 -9.780 1.00 0.00 H new ATOM 0 H72 DT A 7 8.935 2.386 -9.941 1.00 0.00 H new ATOM 0 H73 DT A 7 8.731 1.168 -11.222 1.00 0.00 H new ATOM 0 H6 DT A 7 8.558 0.227 -7.722 1.00 0.00 H new ATOM 227 P DG A 8 8.395 -0.571 -2.630 1.00 0.00 P ATOM 228 OP1 DG A 8 7.936 0.726 -3.190 1.00 0.00 O ATOM 229 OP2 DG A 8 9.843 -0.790 -2.380 1.00 0.00 O ATOM 230 O5' DG A 8 7.624 -0.820 -1.261 1.00 0.00 O ATOM 231 C5' DG A 8 7.525 0.205 -0.270 1.00 0.00 C ATOM 232 C4' DG A 8 7.444 -0.417 1.102 1.00 0.00 C ATOM 233 O4' DG A 8 6.661 -1.632 0.993 1.00 0.00 O ATOM 234 C3' DG A 8 8.796 -0.832 1.689 1.00 0.00 C ATOM 235 O3' DG A 8 8.840 -0.609 3.103 1.00 0.00 O ATOM 236 C2' DG A 8 8.862 -2.315 1.394 1.00 0.00 C ATOM 237 C1' DG A 8 7.400 -2.702 1.543 1.00 0.00 C ATOM 238 N9 DG A 8 7.087 -3.920 0.806 1.00 0.00 N ATOM 239 C8 DG A 8 7.392 -4.170 -0.509 1.00 0.00 C ATOM 240 N7 DG A 8 7.049 -5.368 -0.897 1.00 0.00 N ATOM 241 C5 DG A 8 6.469 -5.940 0.229 1.00 0.00 C ATOM 242 C6 DG A 8 5.906 -7.231 0.421 1.00 0.00 C ATOM 243 O6 DG A 8 5.813 -8.161 -0.389 1.00 0.00 O ATOM 244 N1 DG A 8 5.423 -7.392 1.713 1.00 0.00 N ATOM 245 C2 DG A 8 5.476 -6.439 2.698 1.00 0.00 C ATOM 246 N2 DG A 8 4.953 -6.787 3.879 1.00 0.00 N ATOM 247 N3 DG A 8 5.999 -5.234 2.537 1.00 0.00 N ATOM 248 C4 DG A 8 6.473 -5.053 1.286 1.00 0.00 C ATOM 0 H5' DG A 8 6.643 0.818 -0.454 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.390 0.866 -0.329 1.00 0.00 H new ATOM 0 H4' DG A 8 7.013 0.341 1.756 1.00 0.00 H new ATOM 0 H3' DG A 8 9.626 -0.264 1.269 1.00 0.00 H new ATOM 0 H2' DG A 8 9.244 -2.521 0.394 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.504 -2.848 2.096 1.00 0.00 H new ATOM 0 H1' DG A 8 7.164 -2.889 2.591 1.00 0.00 H new ATOM 0 H8 DG A 8 7.868 -3.448 -1.157 1.00 0.00 H new ATOM 0 H1 DG A 8 4.996 -8.288 1.948 1.00 0.00 H new ATOM 0 H21 DG A 8 4.960 -6.125 4.655 1.00 0.00 H new ATOM 0 H22 DG A 8 4.547 -7.714 4.004 1.00 0.00 H new ATOM 260 P DT A 9 9.011 0.883 3.671 1.00 0.00 P ATOM 261 OP1 DT A 9 10.131 1.519 2.930 1.00 0.00 O ATOM 262 OP2 DT A 9 9.062 0.804 5.153 1.00 0.00 O ATOM 263 O5' DT A 9 7.650 1.600 3.256 1.00 0.00 O ATOM 264 C5' DT A 9 7.642 2.934 2.745 1.00 0.00 C ATOM 265 C4' DT A 9 7.334 3.915 3.852 1.00 0.00 C ATOM 266 O4' DT A 9 6.128 3.486 4.525 1.00 0.00 O ATOM 267 C3' DT A 9 8.415 4.030 4.934 1.00 0.00 C ATOM 268 O3' DT A 9 8.860 5.394 5.116 1.00 0.00 O ATOM 269 C2' DT A 9 7.748 3.502 6.199 1.00 0.00 C ATOM 270 C1' DT A 9 6.270 3.669 5.916 1.00 0.00 C ATOM 271 N1 DT A 9 5.347 2.720 6.579 1.00 0.00 N ATOM 272 C2 DT A 9 4.166 3.255 7.041 1.00 0.00 C ATOM 273 O2 DT A 9 3.912 4.446 6.992 1.00 0.00 O ATOM 274 N3 DT A 9 3.292 2.348 7.566 1.00 0.00 N ATOM 275 C4 DT A 9 3.458 0.988 7.660 1.00 0.00 C ATOM 276 O4 DT A 9 2.562 0.298 8.136 1.00 0.00 O ATOM 277 C5 DT A 9 4.719 0.479 7.168 1.00 0.00 C ATOM 278 C7 DT A 9 4.847 -1.000 6.972 1.00 0.00 C ATOM 279 C6 DT A 9 5.623 1.366 6.698 1.00 0.00 C ATOM 0 H5' DT A 9 6.899 3.023 1.953 1.00 0.00 H new ATOM 0 H5'' DT A 9 8.610 3.167 2.301 1.00 0.00 H new ATOM 0 H4' DT A 9 7.251 4.886 3.364 1.00 0.00 H new ATOM 0 H3' DT A 9 9.311 3.470 4.665 1.00 0.00 H new ATOM 0 H2' DT A 9 8.006 2.459 6.383 1.00 0.00 H new ATOM 0 H2'' DT A 9 8.054 4.067 7.080 1.00 0.00 H new ATOM 0 H1' DT A 9 5.990 4.647 6.307 1.00 0.00 H new ATOM 0 H3 DT A 9 2.416 2.723 7.930 1.00 0.00 H new ATOM 0 H71 DT A 9 5.547 -1.200 6.161 1.00 0.00 H new ATOM 0 H72 DT A 9 5.215 -1.458 7.890 1.00 0.00 H new ATOM 0 H73 DT A 9 3.872 -1.420 6.722 1.00 0.00 H new ATOM 0 H6 DT A 9 6.598 1.007 6.404 1.00 0.00 H new ATOM 292 P DG A 10 7.892 6.638 4.759 1.00 0.00 P ATOM 293 OP1 DG A 10 8.738 7.859 4.787 1.00 0.00 O ATOM 294 OP2 DG A 10 6.683 6.570 5.617 1.00 0.00 O ATOM 295 O5' DG A 10 7.445 6.388 3.247 1.00 0.00 O ATOM 296 C5' DG A 10 8.332 6.659 2.157 1.00 0.00 C ATOM 297 C4' DG A 10 7.595 6.582 0.839 1.00 0.00 C ATOM 298 O4' DG A 10 7.232 5.208 0.569 1.00 0.00 O ATOM 299 C3' DG A 10 6.290 7.386 0.760 1.00 0.00 C ATOM 300 O3' DG A 10 6.419 8.402 -0.249 1.00 0.00 O ATOM 301 C2' DG A 10 5.230 6.355 0.382 1.00 0.00 C ATOM 302 C1' DG A 10 6.049 5.223 -0.195 1.00 0.00 C ATOM 303 N9 DG A 10 5.438 3.898 -0.116 1.00 0.00 N ATOM 304 C8 DG A 10 5.604 2.864 -1.003 1.00 0.00 C ATOM 305 N7 DG A 10 4.941 1.789 -0.674 1.00 0.00 N ATOM 306 C5 DG A 10 4.294 2.136 0.504 1.00 0.00 C ATOM 307 C6 DG A 10 3.427 1.381 1.338 1.00 0.00 C ATOM 308 O6 DG A 10 3.029 0.223 1.209 1.00 0.00 O ATOM 309 N1 DG A 10 3.003 2.114 2.424 1.00 0.00 N ATOM 310 C2 DG A 10 3.342 3.415 2.686 1.00 0.00 C ATOM 311 N2 DG A 10 2.806 3.954 3.785 1.00 0.00 N ATOM 312 N3 DG A 10 4.148 4.136 1.926 1.00 0.00 N ATOM 313 C4 DG A 10 4.586 3.437 0.859 1.00 0.00 C ATOM 0 H5' DG A 10 9.153 5.943 2.163 1.00 0.00 H new ATOM 0 H5'' DG A 10 8.772 7.649 2.277 1.00 0.00 H new ATOM 0 H4' DG A 10 8.293 7.009 0.119 1.00 0.00 H new ATOM 0 H3' DG A 10 6.036 7.896 1.689 1.00 0.00 H new ATOM 0 H2' DG A 10 4.652 6.034 1.248 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.521 6.752 -0.345 1.00 0.00 H new ATOM 0 H1' DG A 10 6.180 5.407 -1.261 1.00 0.00 H new ATOM 0 H8 DG A 10 6.222 2.933 -1.886 1.00 0.00 H new ATOM 0 H1 DG A 10 2.385 1.649 3.089 1.00 0.00 H new ATOM 0 H21 DG A 10 3.019 4.919 4.036 1.00 0.00 H new ATOM 0 H22 DG A 10 2.184 3.400 4.373 1.00 0.00 H new ATOM 325 P DG A 11 5.106 9.069 -0.895 1.00 0.00 P ATOM 326 OP1 DG A 11 5.558 10.250 -1.672 1.00 0.00 O ATOM 327 OP2 DG A 11 4.087 9.240 0.171 1.00 0.00 O ATOM 328 O5' DG A 11 4.583 7.968 -1.923 1.00 0.00 O ATOM 329 C5' DG A 11 5.428 7.473 -2.965 1.00 0.00 C ATOM 330 C4' DG A 11 4.608 6.742 -4.001 1.00 0.00 C ATOM 331 O4' DG A 11 4.076 5.529 -3.414 1.00 0.00 O ATOM 332 C3' DG A 11 3.406 7.533 -4.527 1.00 0.00 C ATOM 333 O3' DG A 11 3.482 7.666 -5.951 1.00 0.00 O ATOM 334 C2' DG A 11 2.195 6.702 -4.137 1.00 0.00 C ATOM 335 C1' DG A 11 2.760 5.323 -3.881 1.00 0.00 C ATOM 336 N9 DG A 11 2.032 4.565 -2.867 1.00 0.00 N ATOM 337 C8 DG A 11 1.472 5.071 -1.720 1.00 0.00 C ATOM 338 N7 DG A 11 0.870 4.168 -0.998 1.00 0.00 N ATOM 339 C5 DG A 11 1.052 2.987 -1.703 1.00 0.00 C ATOM 340 C6 DG A 11 0.626 1.669 -1.403 1.00 0.00 C ATOM 341 O6 DG A 11 0.005 1.267 -0.410 1.00 0.00 O ATOM 342 N1 DG A 11 0.998 0.773 -2.399 1.00 0.00 N ATOM 343 C2 DG A 11 1.718 1.099 -3.525 1.00 0.00 C ATOM 344 N2 DG A 11 1.998 0.093 -4.364 1.00 0.00 N ATOM 345 N3 DG A 11 2.133 2.323 -3.810 1.00 0.00 N ATOM 346 C4 DG A 11 1.763 3.213 -2.864 1.00 0.00 C ATOM 0 H5' DG A 11 6.179 6.803 -2.546 1.00 0.00 H new ATOM 0 H5'' DG A 11 5.963 8.300 -3.432 1.00 0.00 H new ATOM 0 H4' DG A 11 5.286 6.560 -4.835 1.00 0.00 H new ATOM 0 H3' DG A 11 3.364 8.542 -4.117 1.00 0.00 H new ATOM 0 H2' DG A 11 1.706 7.103 -3.250 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.450 6.686 -4.932 1.00 0.00 H new ATOM 0 H1' DG A 11 2.695 4.743 -4.802 1.00 0.00 H new ATOM 0 H8 DG A 11 1.525 6.114 -1.443 1.00 0.00 H new ATOM 0 H1 DG A 11 0.715 -0.201 -2.286 1.00 0.00 H new ATOM 0 H21 DG A 11 2.529 0.272 -5.216 1.00 0.00 H new ATOM 0 H22 DG A 11 1.680 -0.852 -4.151 1.00 0.00 H new ATOM 358 P DT A 12 3.179 9.089 -6.636 1.00 0.00 P ATOM 359 OP1 DT A 12 2.596 8.849 -7.982 1.00 0.00 O ATOM 360 OP2 DT A 12 4.412 9.908 -6.509 1.00 0.00 O ATOM 361 O5' DT A 12 2.057 9.738 -5.708 1.00 0.00 O ATOM 362 C5' DT A 12 0.753 10.027 -6.216 1.00 0.00 C ATOM 363 C4' DT A 12 -0.239 10.129 -5.081 1.00 0.00 C ATOM 364 O4' DT A 12 -1.578 10.023 -5.620 1.00 0.00 O ATOM 365 C3' DT A 12 -0.132 9.028 -4.028 1.00 0.00 C ATOM 366 O3' DT A 12 -0.524 9.526 -2.743 1.00 0.00 O ATOM 367 C2' DT A 12 -1.112 7.983 -4.527 1.00 0.00 C ATOM 368 C1' DT A 12 -2.204 8.831 -5.161 1.00 0.00 C ATOM 369 N1 DT A 12 -2.881 8.208 -6.313 1.00 0.00 N ATOM 370 C2 DT A 12 -4.226 8.453 -6.484 1.00 0.00 C ATOM 371 O2 DT A 12 -4.879 9.148 -5.724 1.00 0.00 O ATOM 372 N3 DT A 12 -4.782 7.852 -7.583 1.00 0.00 N ATOM 373 C4 DT A 12 -4.145 7.050 -8.505 1.00 0.00 C ATOM 374 O4 DT A 12 -4.782 6.575 -9.442 1.00 0.00 O ATOM 375 C5 DT A 12 -2.735 6.832 -8.265 1.00 0.00 C ATOM 376 C7 DT A 12 -1.954 6.010 -9.240 1.00 0.00 C ATOM 377 C6 DT A 12 -2.176 7.409 -7.191 1.00 0.00 C ATOM 0 H5' DT A 12 0.444 9.245 -6.910 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.772 10.961 -6.777 1.00 0.00 H new ATOM 0 H4' DT A 12 -0.019 11.082 -4.601 1.00 0.00 H new ATOM 0 H3' DT A 12 0.879 8.640 -3.904 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.652 7.308 -5.249 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.497 7.367 -3.714 1.00 0.00 H new ATOM 0 H1' DT A 12 -2.973 8.987 -4.405 1.00 0.00 H new ATOM 0 H3 DT A 12 -5.777 8.016 -7.735 1.00 0.00 H new ATOM 0 H71 DT A 12 -0.919 6.351 -9.256 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.986 4.962 -8.941 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.387 6.117 -10.235 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.126 7.241 -7.004 1.00 0.00 H new ATOM 390 P DT A 13 -0.421 8.575 -1.449 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.542 8.949 -0.550 1.00 0.00 O ATOM 392 OP2 DT A 13 0.973 8.617 -0.940 1.00 0.00 O ATOM 393 O5' DT A 13 -0.701 7.112 -2.018 1.00 0.00 O ATOM 394 C5' DT A 13 -1.577 6.210 -1.342 1.00 0.00 C ATOM 395 C4' DT A 13 -2.958 6.267 -1.949 1.00 0.00 C ATOM 396 O4' DT A 13 -2.947 5.552 -3.208 1.00 0.00 O ATOM 397 C3' DT A 13 -4.058 5.620 -1.099 1.00 0.00 C ATOM 398 O3' DT A 13 -5.152 6.526 -0.926 1.00 0.00 O ATOM 399 C2' DT A 13 -4.502 4.413 -1.910 1.00 0.00 C ATOM 400 C1' DT A 13 -4.150 4.825 -3.324 1.00 0.00 C ATOM 401 N1 DT A 13 -3.925 3.707 -4.263 1.00 0.00 N ATOM 402 C2 DT A 13 -4.751 3.615 -5.361 1.00 0.00 C ATOM 403 O2 DT A 13 -5.641 4.416 -5.594 1.00 0.00 O ATOM 404 N3 DT A 13 -4.496 2.549 -6.180 1.00 0.00 N ATOM 405 C4 DT A 13 -3.525 1.586 -6.017 1.00 0.00 C ATOM 406 O4 DT A 13 -3.421 0.680 -6.838 1.00 0.00 O ATOM 407 C5 DT A 13 -2.691 1.741 -4.847 1.00 0.00 C ATOM 408 C7 DT A 13 -1.632 0.719 -4.571 1.00 0.00 C ATOM 409 C6 DT A 13 -2.922 2.785 -4.037 1.00 0.00 C ATOM 0 H5' DT A 13 -1.627 6.465 -0.284 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.185 5.195 -1.407 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.186 7.328 -2.046 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.708 5.351 -0.102 1.00 0.00 H new ATOM 0 H2' DT A 13 -3.978 3.506 -1.609 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.568 4.218 -1.797 1.00 0.00 H new ATOM 0 H1' DT A 13 -4.990 5.383 -3.737 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.091 2.457 -7.003 1.00 0.00 H new ATOM 0 H71 DT A 13 -1.949 -0.248 -4.961 1.00 0.00 H new ATOM 0 H72 DT A 13 -0.703 1.018 -5.055 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.472 0.642 -3.496 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.294 2.910 -3.167 1.00 0.00 H new ATOM 422 P DG A 14 -5.104 7.621 0.250 1.00 0.00 P ATOM 423 OP1 DG A 14 -6.491 7.788 0.750 1.00 0.00 O ATOM 424 OP2 DG A 14 -4.357 8.804 -0.250 1.00 0.00 O ATOM 425 O5' DG A 14 -4.246 6.923 1.399 1.00 0.00 O ATOM 426 C5' DG A 14 -3.668 7.687 2.461 1.00 0.00 C ATOM 427 C4' DG A 14 -4.466 7.510 3.734 1.00 0.00 C ATOM 428 O4' DG A 14 -4.955 6.149 3.809 1.00 0.00 O ATOM 429 C3' DG A 14 -3.676 7.720 5.024 1.00 0.00 C ATOM 430 O3' DG A 14 -4.549 8.182 6.065 1.00 0.00 O ATOM 431 C2' DG A 14 -3.150 6.327 5.322 1.00 0.00 C ATOM 432 C1' DG A 14 -4.293 5.441 4.851 1.00 0.00 C ATOM 433 N9 DG A 14 -3.886 4.145 4.315 1.00 0.00 N ATOM 434 C8 DG A 14 -4.390 2.915 4.653 1.00 0.00 C ATOM 435 N7 DG A 14 -3.864 1.936 3.968 1.00 0.00 N ATOM 436 C5 DG A 14 -2.939 2.558 3.140 1.00 0.00 C ATOM 437 C6 DG A 14 -2.055 2.013 2.170 1.00 0.00 C ATOM 438 O6 DG A 14 -1.879 0.821 1.859 1.00 0.00 O ATOM 439 N1 DG A 14 -1.314 3.009 1.543 1.00 0.00 N ATOM 440 C2 DG A 14 -1.366 4.346 1.851 1.00 0.00 C ATOM 441 N2 DG A 14 -0.528 5.145 1.185 1.00 0.00 N ATOM 442 N3 DG A 14 -2.177 4.864 2.753 1.00 0.00 N ATOM 443 C4 DG A 14 -2.935 3.922 3.350 1.00 0.00 C ATOM 0 H5' DG A 14 -3.640 8.741 2.186 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.637 7.373 2.624 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.247 8.267 3.673 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.884 8.465 4.946 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.225 6.118 4.784 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.940 6.190 6.383 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.915 5.229 5.720 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.146 2.771 5.410 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.682 2.724 0.795 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.522 6.148 1.372 1.00 0.00 H new ATOM 0 H22 DG A 14 0.106 4.752 0.489 1.00 0.00 H new ATOM 455 P DG A 15 -3.977 8.399 7.554 1.00 0.00 P ATOM 456 OP1 DG A 15 -5.074 8.941 8.395 1.00 0.00 O ATOM 457 OP2 DG A 15 -2.700 9.149 7.442 1.00 0.00 O ATOM 458 O5' DG A 15 -3.652 6.922 8.055 1.00 0.00 O ATOM 459 C5' DG A 15 -2.423 6.619 8.715 1.00 0.00 C ATOM 460 C4' DG A 15 -2.455 5.205 9.246 1.00 0.00 C ATOM 461 O4' DG A 15 -2.112 4.293 8.173 1.00 0.00 O ATOM 462 C3' DG A 15 -1.462 4.919 10.378 1.00 0.00 C ATOM 463 O3' DG A 15 -2.085 4.163 11.418 1.00 0.00 O ATOM 464 C2' DG A 15 -0.376 4.092 9.711 1.00 0.00 C ATOM 465 C1' DG A 15 -1.154 3.364 8.638 1.00 0.00 C ATOM 466 N9 DG A 15 -0.373 2.912 7.491 1.00 0.00 N ATOM 467 C8 DG A 15 0.499 3.647 6.725 1.00 0.00 C ATOM 468 N7 DG A 15 1.048 2.956 5.763 1.00 0.00 N ATOM 469 C5 DG A 15 0.496 1.688 5.897 1.00 0.00 C ATOM 470 C6 DG A 15 0.700 0.506 5.134 1.00 0.00 C ATOM 471 O6 DG A 15 1.422 0.335 4.141 1.00 0.00 O ATOM 472 N1 DG A 15 -0.050 -0.554 5.629 1.00 0.00 N ATOM 473 C2 DG A 15 -0.900 -0.487 6.706 1.00 0.00 C ATOM 474 N2 DG A 15 -1.539 -1.613 7.032 1.00 0.00 N ATOM 475 N3 DG A 15 -1.107 0.606 7.415 1.00 0.00 N ATOM 476 C4 DG A 15 -0.379 1.647 6.962 1.00 0.00 C ATOM 0 H5' DG A 15 -2.258 7.320 9.534 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.590 6.737 8.022 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.463 5.071 9.639 1.00 0.00 H new ATOM 0 H3' DG A 15 -1.083 5.830 10.840 1.00 0.00 H new ATOM 0 H2' DG A 15 0.413 4.716 9.291 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.100 3.403 10.409 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.435 3.989 12.130 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.561 2.456 9.082 1.00 0.00 H new ATOM 0 H8 DG A 15 0.709 4.692 6.901 1.00 0.00 H new ATOM 0 H1 DG A 15 0.038 -1.453 5.155 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.183 -1.623 7.823 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.383 -2.463 6.490 1.00 0.00 H new TER 489 DG A 15