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=-0.0451) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.000282 (180deg=-0.000282) 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= -0.532 (180deg=-2.93!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.080 -10.641 4.593 1.00 0.00 O ATOM 2 C5' DG A 1 0.711 -9.276 4.816 1.00 0.00 C ATOM 3 C4' DG A 1 -0.620 -9.177 5.523 1.00 0.00 C ATOM 4 O4' DG A 1 -0.687 -7.900 6.204 1.00 0.00 O ATOM 5 C3' DG A 1 -1.843 -9.228 4.608 1.00 0.00 C ATOM 6 O3' DG A 1 -2.945 -9.860 5.270 1.00 0.00 O ATOM 7 C2' DG A 1 -2.143 -7.763 4.347 1.00 0.00 C ATOM 8 C1' DG A 1 -1.696 -7.080 5.631 1.00 0.00 C ATOM 9 N9 DG A 1 -1.132 -5.750 5.430 1.00 0.00 N ATOM 10 C8 DG A 1 -1.302 -4.643 6.225 1.00 0.00 C ATOM 11 N7 DG A 1 -0.678 -3.587 5.779 1.00 0.00 N ATOM 12 C5 DG A 1 -0.057 -4.024 4.616 1.00 0.00 C ATOM 13 C6 DG A 1 0.765 -3.329 3.690 1.00 0.00 C ATOM 14 O6 DG A 1 1.105 -2.141 3.685 1.00 0.00 O ATOM 15 N1 DG A 1 1.198 -4.161 2.673 1.00 0.00 N ATOM 16 C2 DG A 1 0.854 -5.480 2.525 1.00 0.00 C ATOM 17 N2 DG A 1 1.314 -6.095 1.430 1.00 0.00 N ATOM 18 N3 DG A 1 0.094 -6.142 3.377 1.00 0.00 N ATOM 19 C4 DG A 1 -0.323 -5.359 4.392 1.00 0.00 C ATOM 0 H5' DG A 1 0.659 -8.750 3.862 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.479 -8.782 5.411 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.658 -10.043 6.184 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.672 -9.800 3.696 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.597 -7.389 3.481 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.203 -7.598 4.151 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.944 -10.675 4.132 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.575 -6.955 6.264 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.893 -4.646 7.129 1.00 0.00 H new ATOM 0 H1 DG A 1 1.825 -3.760 1.976 1.00 0.00 H new ATOM 0 H21 DG A 1 1.091 -7.077 1.265 1.00 0.00 H new ATOM 0 H22 DG A 1 1.887 -5.582 0.760 1.00 0.00 H new ATOM 32 P DG A 2 -4.291 -10.190 4.450 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.468 -11.664 4.428 1.00 0.00 O ATOM 34 OP2 DG A 2 -4.250 -9.439 3.169 1.00 0.00 O ATOM 35 O5' DG A 2 -5.450 -9.567 5.349 1.00 0.00 O ATOM 36 C5' DG A 2 -5.218 -8.402 6.144 1.00 0.00 C ATOM 37 C4' DG A 2 -6.051 -7.247 5.636 1.00 0.00 C ATOM 38 O4' DG A 2 -5.169 -6.240 5.089 1.00 0.00 O ATOM 39 C3' DG A 2 -7.041 -7.599 4.518 1.00 0.00 C ATOM 40 O3' DG A 2 -8.371 -7.259 4.924 1.00 0.00 O ATOM 41 C2' DG A 2 -6.606 -6.740 3.338 1.00 0.00 C ATOM 42 C1' DG A 2 -5.820 -5.629 3.999 1.00 0.00 C ATOM 43 N9 DG A 2 -4.803 -4.992 3.166 1.00 0.00 N ATOM 44 C8 DG A 2 -4.047 -5.570 2.176 1.00 0.00 C ATOM 45 N7 DG A 2 -3.212 -4.739 1.613 1.00 0.00 N ATOM 46 C5 DG A 2 -3.433 -3.536 2.270 1.00 0.00 C ATOM 47 C6 DG A 2 -2.824 -2.262 2.096 1.00 0.00 C ATOM 48 O6 DG A 2 -1.920 -1.933 1.312 1.00 0.00 O ATOM 49 N1 DG A 2 -3.363 -1.318 2.964 1.00 0.00 N ATOM 50 C2 DG A 2 -4.343 -1.569 3.893 1.00 0.00 C ATOM 51 N2 DG A 2 -4.728 -0.533 4.643 1.00 0.00 N ATOM 52 N3 DG A 2 -4.909 -2.747 4.072 1.00 0.00 N ATOM 53 C4 DG A 2 -4.414 -3.677 3.230 1.00 0.00 C ATOM 0 H5' DG A 2 -4.161 -8.138 6.115 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.466 -8.608 7.185 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.628 -6.915 6.499 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.043 -8.661 4.273 1.00 0.00 H new ATOM 0 H2' DG A 2 -5.995 -7.303 2.633 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.461 -6.355 2.782 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.517 -4.830 4.254 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.134 -6.608 1.892 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.002 -0.366 2.906 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.452 -0.657 5.350 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.298 0.382 4.508 1.00 0.00 H new ATOM 65 P DT A 3 -9.605 -8.194 4.491 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.635 -8.080 5.554 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.089 -9.536 4.113 1.00 0.00 O ATOM 68 O5' DT A 3 -10.175 -7.485 3.184 1.00 0.00 O ATOM 69 C5' DT A 3 -10.425 -8.228 1.990 1.00 0.00 C ATOM 70 C4' DT A 3 -10.711 -7.287 0.842 1.00 0.00 C ATOM 71 O4' DT A 3 -11.775 -6.387 1.231 1.00 0.00 O ATOM 72 C3' DT A 3 -9.538 -6.398 0.432 1.00 0.00 C ATOM 73 O3' DT A 3 -9.559 -6.164 -0.978 1.00 0.00 O ATOM 74 C2' DT A 3 -9.789 -5.107 1.189 1.00 0.00 C ATOM 75 C1' DT A 3 -11.306 -5.048 1.286 1.00 0.00 C ATOM 76 N1 DT A 3 -11.819 -4.442 2.531 1.00 0.00 N ATOM 77 C2 DT A 3 -12.842 -3.527 2.429 1.00 0.00 C ATOM 78 O2 DT A 3 -13.337 -3.197 1.365 1.00 0.00 O ATOM 79 N3 DT A 3 -13.267 -3.009 3.623 1.00 0.00 N ATOM 80 C4 DT A 3 -12.783 -3.304 4.879 1.00 0.00 C ATOM 81 O4 DT A 3 -13.268 -2.755 5.864 1.00 0.00 O ATOM 82 C5 DT A 3 -11.709 -4.271 4.916 1.00 0.00 C ATOM 83 C7 DT A 3 -11.115 -4.643 6.238 1.00 0.00 C ATOM 84 C6 DT A 3 -11.283 -4.790 3.755 1.00 0.00 C ATOM 0 H5' DT A 3 -11.271 -8.898 2.140 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.563 -8.851 1.753 1.00 0.00 H new ATOM 0 H4' DT A 3 -10.957 -7.932 -0.001 1.00 0.00 H new ATOM 0 H3' DT A 3 -8.568 -6.841 0.656 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.323 -5.121 2.174 1.00 0.00 H new ATOM 0 H2'' DT A 3 -9.386 -4.244 0.658 1.00 0.00 H new ATOM 0 H1' DT A 3 -11.658 -4.418 0.469 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.026 -2.329 3.578 1.00 0.00 H new ATOM 0 H71 DT A 3 -11.188 -3.796 6.921 1.00 0.00 H new ATOM 0 H72 DT A 3 -11.657 -5.492 6.654 1.00 0.00 H new ATOM 0 H73 DT A 3 -10.067 -4.912 6.103 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.483 -5.515 3.779 1.00 0.00 H new ATOM 97 P DT A 4 -8.218 -5.687 -1.725 1.00 0.00 P ATOM 98 OP1 DT A 4 -7.535 -6.909 -2.220 1.00 0.00 O ATOM 99 OP2 DT A 4 -7.493 -4.758 -0.822 1.00 0.00 O ATOM 100 O5' DT A 4 -8.754 -4.857 -2.976 1.00 0.00 O ATOM 101 C5' DT A 4 -8.934 -5.477 -4.252 1.00 0.00 C ATOM 102 C4' DT A 4 -7.811 -5.086 -5.186 1.00 0.00 C ATOM 103 O4' DT A 4 -7.479 -3.688 -4.971 1.00 0.00 O ATOM 104 C3' DT A 4 -6.510 -5.868 -4.982 1.00 0.00 C ATOM 105 O3' DT A 4 -5.934 -6.225 -6.243 1.00 0.00 O ATOM 106 C2' DT A 4 -5.608 -4.891 -4.246 1.00 0.00 C ATOM 107 C1' DT A 4 -6.082 -3.550 -4.766 1.00 0.00 C ATOM 108 N1 DT A 4 -5.854 -2.397 -3.862 1.00 0.00 N ATOM 109 C2 DT A 4 -5.055 -1.384 -4.342 1.00 0.00 C ATOM 110 O2 DT A 4 -4.546 -1.406 -5.450 1.00 0.00 O ATOM 111 N3 DT A 4 -4.868 -0.342 -3.476 1.00 0.00 N ATOM 112 C4 DT A 4 -5.380 -0.212 -2.205 1.00 0.00 C ATOM 113 O4 DT A 4 -5.127 0.791 -1.546 1.00 0.00 O ATOM 114 C5 DT A 4 -6.206 -1.309 -1.757 1.00 0.00 C ATOM 115 C7 DT A 4 -6.756 -1.278 -0.365 1.00 0.00 C ATOM 116 C6 DT A 4 -6.411 -2.335 -2.597 1.00 0.00 C ATOM 0 H5' DT A 4 -9.892 -5.178 -4.678 1.00 0.00 H new ATOM 0 H5'' DT A 4 -8.961 -6.561 -4.137 1.00 0.00 H new ATOM 0 H4' DT A 4 -8.184 -5.301 -6.187 1.00 0.00 H new ATOM 0 H3' DT A 4 -6.661 -6.799 -4.436 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.721 -4.970 -3.165 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.555 -5.064 -4.470 1.00 0.00 H new ATOM 0 H1' DT A 4 -5.507 -3.322 -5.664 1.00 0.00 H new ATOM 0 H3 DT A 4 -4.284 0.425 -3.809 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.709 -1.807 -0.338 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.054 -1.761 0.315 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.907 -0.244 -0.056 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.040 -3.150 -2.271 1.00 0.00 H new ATOM 129 P DG A 5 -4.677 -7.228 -6.289 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.326 -7.434 -7.717 1.00 0.00 O ATOM 131 OP2 DG A 5 -4.984 -8.402 -5.432 1.00 0.00 O ATOM 132 O5' DG A 5 -3.502 -6.399 -5.603 1.00 0.00 O ATOM 133 C5' DG A 5 -2.323 -7.048 -5.122 1.00 0.00 C ATOM 134 C4' DG A 5 -1.178 -6.828 -6.083 1.00 0.00 C ATOM 135 O4' DG A 5 -0.822 -5.424 -6.081 1.00 0.00 O ATOM 136 C3' DG A 5 0.111 -7.567 -5.736 1.00 0.00 C ATOM 137 O3' DG A 5 0.849 -7.845 -6.931 1.00 0.00 O ATOM 138 C2' DG A 5 0.843 -6.566 -4.861 1.00 0.00 C ATOM 139 C1' DG A 5 0.480 -5.251 -5.534 1.00 0.00 C ATOM 140 N9 DG A 5 0.436 -4.093 -4.647 1.00 0.00 N ATOM 141 C8 DG A 5 0.937 -2.841 -4.905 1.00 0.00 C ATOM 142 N7 DG A 5 0.729 -1.993 -3.937 1.00 0.00 N ATOM 143 C5 DG A 5 0.052 -2.731 -2.975 1.00 0.00 C ATOM 144 C6 DG A 5 -0.444 -2.346 -1.703 1.00 0.00 C ATOM 145 O6 DG A 5 -0.380 -1.238 -1.152 1.00 0.00 O ATOM 146 N1 DG A 5 -1.069 -3.408 -1.058 1.00 0.00 N ATOM 147 C2 DG A 5 -1.182 -4.680 -1.558 1.00 0.00 C ATOM 148 N2 DG A 5 -1.787 -5.576 -0.767 1.00 0.00 N ATOM 149 N3 DG A 5 -0.730 -5.051 -2.744 1.00 0.00 N ATOM 150 C4 DG A 5 -0.129 -4.033 -3.395 1.00 0.00 C ATOM 0 H5' DG A 5 -2.509 -8.116 -5.005 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.061 -6.660 -4.138 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.546 -7.203 -7.038 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.044 -8.528 -5.245 1.00 0.00 H new ATOM 0 H2' DG A 5 0.506 -6.603 -3.825 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.919 -6.739 -4.852 1.00 0.00 H new ATOM 0 H1' DG A 5 1.258 -5.039 -6.267 1.00 0.00 H new ATOM 0 H8 DG A 5 1.452 -2.584 -5.819 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.476 -3.226 -0.140 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.902 -6.539 -1.082 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.133 -5.295 0.150 1.00 0.00 H new ATOM 162 P DG A 6 2.163 -8.767 -6.866 1.00 0.00 P ATOM 163 OP1 DG A 6 2.524 -9.117 -8.262 1.00 0.00 O ATOM 164 OP2 DG A 6 1.929 -9.850 -5.876 1.00 0.00 O ATOM 165 O5' DG A 6 3.289 -7.793 -6.298 1.00 0.00 O ATOM 166 C5' DG A 6 4.306 -8.281 -5.423 1.00 0.00 C ATOM 167 C4' DG A 6 5.335 -7.206 -5.162 1.00 0.00 C ATOM 168 O4' DG A 6 4.686 -6.100 -4.480 1.00 0.00 O ATOM 169 C3' DG A 6 6.486 -7.654 -4.252 1.00 0.00 C ATOM 170 O3' DG A 6 7.790 -7.196 -4.686 1.00 0.00 O ATOM 171 C2' DG A 6 6.137 -7.035 -2.910 1.00 0.00 C ATOM 172 C1' DG A 6 5.430 -5.762 -3.325 1.00 0.00 C ATOM 173 N9 DG A 6 4.517 -5.226 -2.321 1.00 0.00 N ATOM 174 C8 DG A 6 3.587 -5.918 -1.583 1.00 0.00 C ATOM 175 N7 DG A 6 2.972 -5.176 -0.702 1.00 0.00 N ATOM 176 C5 DG A 6 3.512 -3.910 -0.885 1.00 0.00 C ATOM 177 C6 DG A 6 3.242 -2.683 -0.218 1.00 0.00 C ATOM 178 O6 DG A 6 2.431 -2.449 0.692 1.00 0.00 O ATOM 179 N1 DG A 6 4.022 -1.651 -0.719 1.00 0.00 N ATOM 180 C2 DG A 6 4.914 -1.763 -1.751 1.00 0.00 C ATOM 181 N2 DG A 6 5.518 -0.632 -2.125 1.00 0.00 N ATOM 182 N3 DG A 6 5.184 -2.893 -2.376 1.00 0.00 N ATOM 183 C4 DG A 6 4.453 -3.921 -1.894 1.00 0.00 C ATOM 0 H5' DG A 6 4.787 -9.154 -5.864 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.861 -8.604 -4.482 1.00 0.00 H new ATOM 0 H4' DG A 6 5.748 -6.941 -6.135 1.00 0.00 H new ATOM 0 H3' DG A 6 6.571 -8.741 -4.242 1.00 0.00 H new ATOM 0 H2' DG A 6 5.493 -7.684 -2.316 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.025 -6.832 -2.311 1.00 0.00 H new ATOM 0 H1' DG A 6 6.177 -4.985 -3.484 1.00 0.00 H new ATOM 0 H8 DG A 6 3.385 -6.970 -1.718 1.00 0.00 H new ATOM 0 H1 DG A 6 3.923 -0.734 -0.283 1.00 0.00 H new ATOM 0 H21 DG A 6 6.195 -0.643 -2.888 1.00 0.00 H new ATOM 0 H22 DG A 6 5.303 0.243 -1.647 1.00 0.00 H new ATOM 195 P DT A 7 7.949 -5.956 -5.711 1.00 0.00 P ATOM 196 OP1 DT A 7 6.765 -5.065 -5.662 1.00 0.00 O ATOM 197 OP2 DT A 7 8.371 -6.535 -7.012 1.00 0.00 O ATOM 198 O5' DT A 7 9.191 -5.145 -5.122 1.00 0.00 O ATOM 199 C5' DT A 7 9.773 -4.045 -5.831 1.00 0.00 C ATOM 200 C4' DT A 7 9.597 -2.764 -5.045 1.00 0.00 C ATOM 201 O4' DT A 7 9.924 -1.631 -5.881 1.00 0.00 O ATOM 202 C3' DT A 7 8.183 -2.497 -4.519 1.00 0.00 C ATOM 203 O3' DT A 7 8.105 -2.738 -3.100 1.00 0.00 O ATOM 204 C2' DT A 7 7.895 -1.043 -4.878 1.00 0.00 C ATOM 205 C1' DT A 7 9.218 -0.505 -5.412 1.00 0.00 C ATOM 206 N1 DT A 7 9.124 0.472 -6.525 1.00 0.00 N ATOM 207 C2 DT A 7 10.152 1.381 -6.640 1.00 0.00 C ATOM 208 O2 DT A 7 11.097 1.418 -5.870 1.00 0.00 O ATOM 209 N3 DT A 7 10.034 2.251 -7.690 1.00 0.00 N ATOM 210 C4 DT A 7 9.018 2.305 -8.618 1.00 0.00 C ATOM 211 O4 DT A 7 9.053 3.144 -9.513 1.00 0.00 O ATOM 212 C5 DT A 7 7.967 1.329 -8.439 1.00 0.00 C ATOM 213 C7 DT A 7 6.844 1.289 -9.428 1.00 0.00 C ATOM 214 C6 DT A 7 8.060 0.475 -7.410 1.00 0.00 C ATOM 0 H5' DT A 7 9.305 -3.946 -6.811 1.00 0.00 H new ATOM 0 H5'' DT A 7 10.833 -4.233 -6.001 1.00 0.00 H new ATOM 0 H4' DT A 7 10.257 -2.891 -4.187 1.00 0.00 H new ATOM 0 H3' DT A 7 7.442 -3.164 -4.961 1.00 0.00 H new ATOM 0 H2' DT A 7 7.107 -0.969 -5.627 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.561 -0.479 -4.007 1.00 0.00 H new ATOM 0 H1' DT A 7 9.695 0.042 -4.599 1.00 0.00 H new ATOM 0 H3 DT A 7 10.782 2.936 -7.797 1.00 0.00 H new ATOM 0 H71 DT A 7 6.463 0.271 -9.505 1.00 0.00 H new ATOM 0 H72 DT A 7 6.044 1.952 -9.097 1.00 0.00 H new ATOM 0 H73 DT A 7 7.206 1.616 -10.403 1.00 0.00 H new ATOM 0 H6 DT A 7 7.268 -0.244 -7.265 1.00 0.00 H new ATOM 227 P DG A 8 8.910 -1.810 -2.054 1.00 0.00 P ATOM 228 OP1 DG A 8 9.586 -0.686 -2.741 1.00 0.00 O ATOM 229 OP2 DG A 8 9.710 -2.735 -1.214 1.00 0.00 O ATOM 230 O5' DG A 8 7.758 -1.196 -1.142 1.00 0.00 O ATOM 231 C5' DG A 8 8.036 -0.179 -0.177 1.00 0.00 C ATOM 232 C4' DG A 8 7.774 -0.699 1.217 1.00 0.00 C ATOM 233 O4' DG A 8 6.722 -1.695 1.156 1.00 0.00 O ATOM 234 C3' DG A 8 8.976 -1.392 1.871 1.00 0.00 C ATOM 235 O3' DG A 8 9.097 -1.036 3.253 1.00 0.00 O ATOM 236 C2' DG A 8 8.646 -2.865 1.755 1.00 0.00 C ATOM 237 C1' DG A 8 7.135 -2.829 1.889 1.00 0.00 C ATOM 238 N9 DG A 8 6.506 -4.009 1.317 1.00 0.00 N ATOM 239 C8 DG A 8 6.693 -4.489 0.048 1.00 0.00 C ATOM 240 N7 DG A 8 6.042 -5.595 -0.184 1.00 0.00 N ATOM 241 C5 DG A 8 5.372 -5.852 1.006 1.00 0.00 C ATOM 242 C6 DG A 8 4.502 -6.916 1.365 1.00 0.00 C ATOM 243 O6 DG A 8 4.136 -7.878 0.680 1.00 0.00 O ATOM 244 N1 DG A 8 4.046 -6.785 2.673 1.00 0.00 N ATOM 245 C2 DG A 8 4.383 -5.764 3.526 1.00 0.00 C ATOM 246 N2 DG A 8 3.843 -5.810 4.749 1.00 0.00 N ATOM 247 N3 DG A 8 5.190 -4.769 3.205 1.00 0.00 N ATOM 248 C4 DG A 8 5.644 -4.876 1.940 1.00 0.00 C ATOM 0 H5' DG A 8 7.415 0.696 -0.370 1.00 0.00 H new ATOM 0 H5'' DG A 8 9.074 0.142 -0.264 1.00 0.00 H new ATOM 0 H4' DG A 8 7.518 0.178 1.811 1.00 0.00 H new ATOM 0 H3' DG A 8 9.917 -1.112 1.397 1.00 0.00 H new ATOM 0 H2' DG A 8 8.966 -3.287 0.802 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.117 -3.457 2.540 1.00 0.00 H new ATOM 0 H1' DG A 8 6.850 -2.795 2.941 1.00 0.00 H new ATOM 0 H8 DG A 8 7.317 -4.001 -0.686 1.00 0.00 H new ATOM 0 H1 DG A 8 3.413 -7.503 3.025 1.00 0.00 H new ATOM 0 H21 DG A 8 4.056 -5.079 5.428 1.00 0.00 H new ATOM 0 H22 DG A 8 3.219 -6.576 5.002 1.00 0.00 H new ATOM 260 P DT A 9 9.543 0.452 3.662 1.00 0.00 P ATOM 261 OP1 DT A 9 10.686 0.837 2.793 1.00 0.00 O ATOM 262 OP2 DT A 9 9.697 0.494 5.138 1.00 0.00 O ATOM 263 O5' DT A 9 8.285 1.346 3.269 1.00 0.00 O ATOM 264 C5' DT A 9 8.445 2.706 2.869 1.00 0.00 C ATOM 265 C4' DT A 9 7.834 3.630 3.895 1.00 0.00 C ATOM 266 O4' DT A 9 6.600 3.065 4.385 1.00 0.00 O ATOM 267 C3' DT A 9 8.685 3.904 5.141 1.00 0.00 C ATOM 268 O3' DT A 9 9.168 5.267 5.155 1.00 0.00 O ATOM 269 C2' DT A 9 7.743 3.641 6.314 1.00 0.00 C ATOM 270 C1' DT A 9 6.377 3.613 5.660 1.00 0.00 C ATOM 271 N1 DT A 9 5.323 2.812 6.320 1.00 0.00 N ATOM 272 C2 DT A 9 4.186 3.497 6.686 1.00 0.00 C ATOM 273 O2 DT A 9 4.065 4.703 6.555 1.00 0.00 O ATOM 274 N3 DT A 9 3.194 2.722 7.211 1.00 0.00 N ATOM 275 C4 DT A 9 3.208 1.359 7.392 1.00 0.00 C ATOM 276 O4 DT A 9 2.224 0.798 7.864 1.00 0.00 O ATOM 277 C5 DT A 9 4.428 0.691 6.996 1.00 0.00 C ATOM 278 C7 DT A 9 4.396 -0.800 6.871 1.00 0.00 C ATOM 279 C6 DT A 9 5.443 1.446 6.528 1.00 0.00 C ATOM 0 H5' DT A 9 7.973 2.865 1.900 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.504 2.935 2.749 1.00 0.00 H new ATOM 0 H4' DT A 9 7.715 4.570 3.356 1.00 0.00 H new ATOM 0 H3' DT A 9 9.575 3.276 5.178 1.00 0.00 H new ATOM 0 H2' DT A 9 7.971 2.698 6.810 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.812 4.424 7.069 1.00 0.00 H new ATOM 0 H1' DT A 9 5.989 4.631 5.693 1.00 0.00 H new ATOM 0 H3 DT A 9 2.346 3.208 7.502 1.00 0.00 H new ATOM 0 H71 DT A 9 5.110 -1.117 6.111 1.00 0.00 H new ATOM 0 H72 DT A 9 4.660 -1.251 7.828 1.00 0.00 H new ATOM 0 H73 DT A 9 3.394 -1.120 6.583 1.00 0.00 H new ATOM 0 H6 DT A 9 6.386 0.968 6.307 1.00 0.00 H new ATOM 292 P DG A 10 8.264 6.473 4.566 1.00 0.00 P ATOM 293 OP1 DG A 10 9.092 7.702 4.664 1.00 0.00 O ATOM 294 OP2 DG A 10 6.928 6.442 5.213 1.00 0.00 O ATOM 295 O5' DG A 10 8.093 6.133 3.014 1.00 0.00 O ATOM 296 C5' DG A 10 6.816 6.225 2.361 1.00 0.00 C ATOM 297 C4' DG A 10 6.972 6.819 0.982 1.00 0.00 C ATOM 298 O4' DG A 10 7.109 5.740 0.032 1.00 0.00 O ATOM 299 C3' DG A 10 5.776 7.642 0.506 1.00 0.00 C ATOM 300 O3' DG A 10 6.196 8.729 -0.343 1.00 0.00 O ATOM 301 C2' DG A 10 4.920 6.627 -0.233 1.00 0.00 C ATOM 302 C1' DG A 10 5.903 5.557 -0.695 1.00 0.00 C ATOM 303 N9 DG A 10 5.452 4.186 -0.471 1.00 0.00 N ATOM 304 C8 DG A 10 5.808 3.079 -1.197 1.00 0.00 C ATOM 305 N7 DG A 10 5.228 1.982 -0.788 1.00 0.00 N ATOM 306 C5 DG A 10 4.444 2.391 0.282 1.00 0.00 C ATOM 307 C6 DG A 10 3.578 1.649 1.135 1.00 0.00 C ATOM 308 O6 DG A 10 3.291 0.449 1.111 1.00 0.00 O ATOM 309 N1 DG A 10 3.005 2.453 2.096 1.00 0.00 N ATOM 310 C2 DG A 10 3.203 3.804 2.226 1.00 0.00 C ATOM 311 N2 DG A 10 2.548 4.403 3.222 1.00 0.00 N ATOM 312 N3 DG A 10 3.988 4.514 1.437 1.00 0.00 N ATOM 313 C4 DG A 10 4.578 3.749 0.496 1.00 0.00 C ATOM 0 H5' DG A 10 6.140 6.841 2.955 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.365 5.235 2.289 1.00 0.00 H new ATOM 0 H4' DG A 10 7.838 7.478 1.043 1.00 0.00 H new ATOM 0 H3' DG A 10 5.232 8.124 1.319 1.00 0.00 H new ATOM 0 H2' DG A 10 4.153 6.206 0.418 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.405 7.084 -1.078 1.00 0.00 H new ATOM 0 H1' DG A 10 6.019 5.677 -1.772 1.00 0.00 H new ATOM 0 H8 DG A 10 6.500 3.111 -2.026 1.00 0.00 H new ATOM 0 H1 DG A 10 2.381 2.006 2.767 1.00 0.00 H new ATOM 0 H21 DG A 10 2.654 5.407 3.371 1.00 0.00 H new ATOM 0 H22 DG A 10 1.942 3.857 3.834 1.00 0.00 H new ATOM 325 P DG A 11 6.867 8.438 -1.781 1.00 0.00 P ATOM 326 OP1 DG A 11 8.028 7.535 -1.583 1.00 0.00 O ATOM 327 OP2 DG A 11 7.072 9.751 -2.444 1.00 0.00 O ATOM 328 O5' DG A 11 5.747 7.649 -2.596 1.00 0.00 O ATOM 329 C5' DG A 11 4.657 8.344 -3.206 1.00 0.00 C ATOM 330 C4' DG A 11 3.968 7.457 -4.217 1.00 0.00 C ATOM 331 O4' DG A 11 3.577 6.220 -3.574 1.00 0.00 O ATOM 332 C3' DG A 11 2.690 8.058 -4.812 1.00 0.00 C ATOM 333 O3' DG A 11 2.746 8.040 -6.242 1.00 0.00 O ATOM 334 C2' DG A 11 1.575 7.151 -4.316 1.00 0.00 C ATOM 335 C1' DG A 11 2.282 5.854 -4.004 1.00 0.00 C ATOM 336 N9 DG A 11 1.654 5.076 -2.940 1.00 0.00 N ATOM 337 C8 DG A 11 1.173 5.565 -1.753 1.00 0.00 C ATOM 338 N7 DG A 11 0.653 4.646 -0.988 1.00 0.00 N ATOM 339 C5 DG A 11 0.813 3.470 -1.707 1.00 0.00 C ATOM 340 C6 DG A 11 0.454 2.135 -1.378 1.00 0.00 C ATOM 341 O6 DG A 11 -0.076 1.710 -0.341 1.00 0.00 O ATOM 342 N1 DG A 11 0.778 1.253 -2.402 1.00 0.00 N ATOM 343 C2 DG A 11 1.392 1.605 -3.581 1.00 0.00 C ATOM 344 N2 DG A 11 1.632 0.611 -4.445 1.00 0.00 N ATOM 345 N3 DG A 11 1.744 2.842 -3.894 1.00 0.00 N ATOM 346 C4 DG A 11 1.424 3.718 -2.919 1.00 0.00 C ATOM 0 H5' DG A 11 5.021 9.248 -3.694 1.00 0.00 H new ATOM 0 H5'' DG A 11 3.945 8.658 -2.443 1.00 0.00 H new ATOM 0 H4' DG A 11 4.689 7.318 -5.023 1.00 0.00 H new ATOM 0 H3' DG A 11 2.545 9.097 -4.517 1.00 0.00 H new ATOM 0 H2' DG A 11 1.086 7.563 -3.433 1.00 0.00 H new ATOM 0 H2'' DG A 11 0.803 7.014 -5.073 1.00 0.00 H new ATOM 0 H1' DG A 11 2.262 5.224 -4.893 1.00 0.00 H new ATOM 0 H8 DG A 11 1.220 6.608 -1.479 1.00 0.00 H new ATOM 0 H1 DG A 11 0.542 0.270 -2.269 1.00 0.00 H new ATOM 0 H21 DG A 11 2.085 0.809 -5.337 1.00 0.00 H new ATOM 0 H22 DG A 11 1.362 -0.344 -4.211 1.00 0.00 H new ATOM 358 P DT A 12 1.674 8.887 -7.092 1.00 0.00 P ATOM 359 OP1 DT A 12 0.555 7.980 -7.459 1.00 0.00 O ATOM 360 OP2 DT A 12 2.417 9.604 -8.159 1.00 0.00 O ATOM 361 O5' DT A 12 1.124 9.968 -6.056 1.00 0.00 O ATOM 362 C5' DT A 12 -0.139 10.610 -6.256 1.00 0.00 C ATOM 363 C4' DT A 12 -0.965 10.553 -4.990 1.00 0.00 C ATOM 364 O4' DT A 12 -2.337 10.252 -5.340 1.00 0.00 O ATOM 365 C3' DT A 12 -0.558 9.472 -3.991 1.00 0.00 C ATOM 366 O3' DT A 12 -0.866 9.886 -2.655 1.00 0.00 O ATOM 367 C2' DT A 12 -1.415 8.292 -4.407 1.00 0.00 C ATOM 368 C1' DT A 12 -2.702 8.967 -4.849 1.00 0.00 C ATOM 369 N1 DT A 12 -3.422 8.263 -5.924 1.00 0.00 N ATOM 370 C2 DT A 12 -4.796 8.217 -5.865 1.00 0.00 C ATOM 371 O2 DT A 12 -5.441 8.710 -4.956 1.00 0.00 O ATOM 372 N3 DT A 12 -5.391 7.569 -6.914 1.00 0.00 N ATOM 373 C4 DT A 12 -4.766 6.977 -7.990 1.00 0.00 C ATOM 374 O4 DT A 12 -5.438 6.436 -8.863 1.00 0.00 O ATOM 375 C5 DT A 12 -3.322 7.057 -7.987 1.00 0.00 C ATOM 376 C7 DT A 12 -2.564 6.512 -9.157 1.00 0.00 C ATOM 377 C6 DT A 12 -2.724 7.678 -6.960 1.00 0.00 C ATOM 0 H5' DT A 12 -0.676 10.124 -7.071 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.016 11.648 -6.550 1.00 0.00 H new ATOM 0 H4' DT A 12 -0.815 11.525 -4.520 1.00 0.00 H new ATOM 0 H3' DT A 12 0.509 9.249 -3.995 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.957 7.721 -5.215 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.582 7.599 -3.582 1.00 0.00 H new ATOM 0 H1' DT A 12 -3.375 8.988 -3.992 1.00 0.00 H new ATOM 0 H3 DT A 12 -6.410 7.519 -6.897 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.639 7.074 -9.285 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.330 5.462 -8.982 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.171 6.603 -10.058 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.645 7.722 -6.943 1.00 0.00 H new ATOM 390 P DT A 13 -0.371 8.998 -1.408 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.191 9.391 -0.234 1.00 0.00 O ATOM 392 OP2 DT A 13 1.110 9.089 -1.332 1.00 0.00 O ATOM 393 O5' DT A 13 -0.757 7.508 -1.824 1.00 0.00 O ATOM 394 C5' DT A 13 -1.653 6.726 -1.033 1.00 0.00 C ATOM 395 C4' DT A 13 -3.036 6.744 -1.638 1.00 0.00 C ATOM 396 O4' DT A 13 -2.992 6.073 -2.919 1.00 0.00 O ATOM 397 C3' DT A 13 -4.109 6.023 -0.813 1.00 0.00 C ATOM 398 O3' DT A 13 -5.182 6.920 -0.501 1.00 0.00 O ATOM 399 C2' DT A 13 -4.606 4.909 -1.724 1.00 0.00 C ATOM 400 C1' DT A 13 -4.212 5.397 -3.104 1.00 0.00 C ATOM 401 N1 DT A 13 -4.004 4.341 -4.117 1.00 0.00 N ATOM 402 C2 DT A 13 -4.790 4.379 -5.246 1.00 0.00 C ATOM 403 O2 DT A 13 -5.633 5.238 -5.442 1.00 0.00 O ATOM 404 N3 DT A 13 -4.553 3.373 -6.142 1.00 0.00 N ATOM 405 C4 DT A 13 -3.635 2.353 -6.027 1.00 0.00 C ATOM 406 O4 DT A 13 -3.550 1.507 -6.910 1.00 0.00 O ATOM 407 C5 DT A 13 -2.842 2.369 -4.820 1.00 0.00 C ATOM 408 C7 DT A 13 -1.846 1.274 -4.596 1.00 0.00 C ATOM 409 C6 DT A 13 -3.055 3.354 -3.934 1.00 0.00 C ATOM 0 H5' DT A 13 -1.688 7.118 -0.016 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.290 5.700 -0.967 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.311 7.797 -1.697 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.722 5.647 0.134 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.139 3.954 -1.485 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.683 4.768 -1.638 1.00 0.00 H new ATOM 0 H1' DT A 13 -5.029 6.004 -3.493 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.120 3.379 -6.990 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.195 0.360 -5.077 1.00 0.00 H new ATOM 0 H72 DT A 13 -0.885 1.564 -5.021 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.732 1.099 -3.526 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.456 3.376 -3.035 1.00 0.00 H new ATOM 422 P DG A 14 -4.990 8.032 0.647 1.00 0.00 P ATOM 423 OP1 DG A 14 -6.345 8.441 1.095 1.00 0.00 O ATOM 424 OP2 DG A 14 -4.043 9.060 0.146 1.00 0.00 O ATOM 425 O5' DG A 14 -4.289 7.246 1.843 1.00 0.00 O ATOM 426 C5' DG A 14 -3.741 7.944 2.967 1.00 0.00 C ATOM 427 C4' DG A 14 -4.554 7.658 4.209 1.00 0.00 C ATOM 428 O4' DG A 14 -5.011 6.283 4.168 1.00 0.00 O ATOM 429 C3' DG A 14 -3.795 7.787 5.529 1.00 0.00 C ATOM 430 O3' DG A 14 -4.718 8.183 6.564 1.00 0.00 O ATOM 431 C2' DG A 14 -3.235 6.388 5.705 1.00 0.00 C ATOM 432 C1' DG A 14 -4.364 5.526 5.184 1.00 0.00 C ATOM 433 N9 DG A 14 -3.931 4.264 4.597 1.00 0.00 N ATOM 434 C8 DG A 14 -4.363 3.007 4.933 1.00 0.00 C ATOM 435 N7 DG A 14 -3.831 2.066 4.200 1.00 0.00 N ATOM 436 C5 DG A 14 -2.975 2.746 3.343 1.00 0.00 C ATOM 437 C6 DG A 14 -2.118 2.262 2.315 1.00 0.00 C ATOM 438 O6 DG A 14 -1.916 1.091 1.955 1.00 0.00 O ATOM 439 N1 DG A 14 -1.446 3.303 1.685 1.00 0.00 N ATOM 440 C2 DG A 14 -1.534 4.626 2.032 1.00 0.00 C ATOM 441 N2 DG A 14 -0.738 5.465 1.363 1.00 0.00 N ATOM 442 N3 DG A 14 -2.329 5.090 2.977 1.00 0.00 N ATOM 443 C4 DG A 14 -3.019 4.103 3.584 1.00 0.00 C ATOM 0 H5' DG A 14 -3.732 9.016 2.769 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.706 7.640 3.123 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.349 8.404 4.194 1.00 0.00 H new ATOM 0 H3' DG A 14 -3.006 8.539 5.560 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.316 6.243 5.137 1.00 0.00 H new ATOM 0 H2'' DG A 14 -3.004 6.170 6.748 1.00 0.00 H new ATOM 0 H1' DG A 14 -5.006 5.269 6.027 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.072 2.814 5.724 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.839 3.063 0.902 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.756 6.463 1.574 1.00 0.00 H new ATOM 0 H22 DG A 14 -0.112 5.108 0.641 1.00 0.00 H new ATOM 455 P DG A 15 -4.571 7.611 8.066 1.00 0.00 P ATOM 456 OP1 DG A 15 -4.618 6.127 8.030 1.00 0.00 O ATOM 457 OP2 DG A 15 -5.579 8.345 8.872 1.00 0.00 O ATOM 458 O5' DG A 15 -3.140 8.116 8.569 1.00 0.00 O ATOM 459 C5' DG A 15 -1.934 7.367 8.348 1.00 0.00 C ATOM 460 C4' DG A 15 -2.064 5.966 8.903 1.00 0.00 C ATOM 461 O4' DG A 15 -1.857 5.017 7.828 1.00 0.00 O ATOM 462 C3' DG A 15 -1.046 5.605 9.991 1.00 0.00 C ATOM 463 O3' DG A 15 -1.687 4.936 11.079 1.00 0.00 O ATOM 464 C2' DG A 15 -0.082 4.660 9.292 1.00 0.00 C ATOM 465 C1' DG A 15 -0.972 4.003 8.261 1.00 0.00 C ATOM 466 N9 DG A 15 -0.280 3.480 7.088 1.00 0.00 N ATOM 467 C8 DG A 15 0.434 4.191 6.155 1.00 0.00 C ATOM 468 N7 DG A 15 0.933 3.444 5.209 1.00 0.00 N ATOM 469 C5 DG A 15 0.529 2.158 5.540 1.00 0.00 C ATOM 470 C6 DG A 15 0.769 0.918 4.887 1.00 0.00 C ATOM 471 O6 DG A 15 1.402 0.699 3.841 1.00 0.00 O ATOM 472 N1 DG A 15 0.179 -0.138 5.572 1.00 0.00 N ATOM 473 C2 DG A 15 -0.553 -0.022 6.727 1.00 0.00 C ATOM 474 N2 DG A 15 -1.043 -1.158 7.234 1.00 0.00 N ATOM 475 N3 DG A 15 -0.788 1.122 7.341 1.00 0.00 N ATOM 476 C4 DG A 15 -0.220 2.164 6.698 1.00 0.00 C ATOM 0 H5' DG A 15 -1.093 7.874 8.821 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.719 7.322 7.280 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.058 5.926 9.348 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.554 6.483 10.410 1.00 0.00 H new ATOM 0 H2' DG A 15 0.750 5.194 8.832 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.348 3.933 9.981 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.022 4.712 11.763 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.447 3.140 8.727 1.00 0.00 H new ATOM 0 H8 DG A 15 0.569 5.262 6.200 1.00 0.00 H new ATOM 0 H1 DG A 15 0.300 -1.074 5.185 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.596 -1.137 8.091 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.864 -2.045 6.764 1.00 0.00 H new TER 489 DG A 15