USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 153 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 G O2' : rot -23:sc= 0.379 USER MOD Single : A 1 G O5' : rot 180:sc= -0.155 USER MOD Single : A 2 G O2' : rot -11:sc= -1.12 USER MOD Single : A 3 C O2' : rot -18:sc= 0.336 USER MOD Single : A 4 C O2' : rot -16:sc= -0.989 USER MOD Single : A 5 U O2' : rot -13:sc= 0.339 USER MOD Single : A 6 G O2' : rot -137:sc= -7.02! USER MOD Single : A 7 A O2' : rot 127:sc= -6.46! USER MOD Single : A 8 U O2' : rot 139:sc= 0.593 USER MOD Single : A 9 A O2' : rot -79:sc= 0.835 USER MOD Single : A 10 G O2' : rot -74:sc= 0.922 USER MOD Single : A 11 G O2' : rot -25:sc= 0.374 USER MOD Single : A 12 G O2' : rot -2:sc= -0.839 USER MOD Single : A 13 U O2' : rot -2:sc= -1.49! USER MOD Single : A 14 C O2' : rot -16:sc= 0.201 USER MOD Single : A 14 C O3' : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.107 -1.283 7.802 1.00 0.00 O ATOM 2 C5' G A 1 -4.641 -1.922 8.965 1.00 0.00 C ATOM 3 C4' G A 1 -3.956 -3.257 9.235 1.00 0.00 C ATOM 4 O4' G A 1 -4.279 -4.173 8.182 1.00 0.00 O ATOM 5 C3' G A 1 -2.439 -3.207 9.237 1.00 0.00 C ATOM 6 O3' G A 1 -2.024 -3.024 10.596 1.00 0.00 O ATOM 7 C2' G A 1 -2.044 -4.618 8.827 1.00 0.00 C ATOM 8 O2' G A 1 -2.093 -5.503 9.950 1.00 0.00 O ATOM 9 C1' G A 1 -3.138 -4.968 7.819 1.00 0.00 C ATOM 10 N9 G A 1 -2.754 -4.635 6.432 1.00 0.00 N ATOM 11 C8 G A 1 -2.617 -3.397 5.855 1.00 0.00 C ATOM 12 N7 G A 1 -2.272 -3.440 4.599 1.00 0.00 N ATOM 13 C5 G A 1 -2.173 -4.799 4.322 1.00 0.00 C ATOM 14 C6 G A 1 -1.830 -5.458 3.111 1.00 0.00 C ATOM 15 O6 G A 1 -1.541 -4.958 2.027 1.00 0.00 O ATOM 16 N1 G A 1 -1.845 -6.835 3.257 1.00 0.00 N ATOM 17 C2 G A 1 -2.151 -7.503 4.421 1.00 0.00 C ATOM 18 N2 G A 1 -2.113 -8.834 4.382 1.00 0.00 N ATOM 19 N3 G A 1 -2.475 -6.893 5.565 1.00 0.00 N ATOM 20 C4 G A 1 -2.466 -5.542 5.440 1.00 0.00 C ATOM 0 H5' G A 1 -5.711 -2.081 8.834 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.519 -1.268 9.829 1.00 0.00 H new ATOM 0 H4' G A 1 -4.309 -3.549 10.224 1.00 0.00 H new ATOM 0 H3' G A 1 -2.017 -2.427 8.602 1.00 0.00 H new ATOM 0 H2' G A 1 -1.032 -4.698 8.431 1.00 0.00 H new ATOM 0 HO2' G A 1 -2.009 -4.986 10.778 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.569 -0.431 7.656 1.00 0.00 H new ATOM 0 H1' G A 1 -3.332 -6.040 7.847 1.00 0.00 H new ATOM 0 H8 G A 1 -2.780 -2.474 6.392 1.00 0.00 H new ATOM 0 H1 G A 1 -1.611 -7.398 2.439 1.00 0.00 H new ATOM 0 H21 G A 1 -2.332 -9.375 5.219 1.00 0.00 H new ATOM 0 H22 G A 1 -1.865 -9.312 3.516 1.00 0.00 H new ATOM 33 P G A 2 -0.976 -1.866 10.987 1.00 0.00 P ATOM 34 OP1 G A 2 -0.961 -1.734 12.461 1.00 0.00 O ATOM 35 OP2 G A 2 -1.256 -0.681 10.143 1.00 0.00 O ATOM 36 O5' G A 2 0.434 -2.497 10.524 1.00 0.00 O ATOM 37 C5' G A 2 1.266 -1.822 9.576 1.00 0.00 C ATOM 38 C4' G A 2 2.586 -2.558 9.364 1.00 0.00 C ATOM 39 O4' G A 2 2.321 -3.948 9.147 1.00 0.00 O ATOM 40 C3' G A 2 3.365 -2.129 8.131 1.00 0.00 C ATOM 41 O3' G A 2 4.297 -1.126 8.547 1.00 0.00 O ATOM 42 C2' G A 2 4.165 -3.373 7.780 1.00 0.00 C ATOM 43 O2' G A 2 5.337 -3.471 8.594 1.00 0.00 O ATOM 44 C1' G A 2 3.178 -4.486 8.126 1.00 0.00 C ATOM 45 N9 G A 2 2.347 -4.876 6.970 1.00 0.00 N ATOM 46 C8 G A 2 1.056 -4.511 6.682 1.00 0.00 C ATOM 47 N7 G A 2 0.597 -5.033 5.582 1.00 0.00 N ATOM 48 C5 G A 2 1.654 -5.796 5.105 1.00 0.00 C ATOM 49 C6 G A 2 1.742 -6.597 3.936 1.00 0.00 C ATOM 50 O6 G A 2 0.885 -6.788 3.078 1.00 0.00 O ATOM 51 N1 G A 2 2.982 -7.200 3.820 1.00 0.00 N ATOM 52 C2 G A 2 4.016 -7.056 4.716 1.00 0.00 C ATOM 53 N2 G A 2 5.146 -7.709 4.444 1.00 0.00 N ATOM 54 N3 G A 2 3.946 -6.307 5.820 1.00 0.00 N ATOM 55 C4 G A 2 2.735 -5.708 5.947 1.00 0.00 C ATOM 0 H5' G A 2 1.466 -0.808 9.923 1.00 0.00 H new ATOM 0 H5'' G A 2 0.740 -1.736 8.625 1.00 0.00 H new ATOM 0 H4' G A 2 3.169 -2.334 10.257 1.00 0.00 H new ATOM 0 H3' G A 2 2.743 -1.756 7.317 1.00 0.00 H new ATOM 0 H2' G A 2 4.519 -3.394 6.749 1.00 0.00 H new ATOM 0 HO2' G A 2 5.468 -2.631 9.081 1.00 0.00 H new ATOM 0 H1' G A 2 3.722 -5.376 8.444 1.00 0.00 H new ATOM 0 H8 G A 2 0.475 -3.852 7.310 1.00 0.00 H new ATOM 0 H1 G A 2 3.142 -7.797 3.008 1.00 0.00 H new ATOM 0 H21 G A 2 5.943 -7.635 5.077 1.00 0.00 H new ATOM 0 H22 G A 2 5.214 -8.282 3.603 1.00 0.00 H new ATOM 67 P C A 3 4.840 -0.024 7.503 1.00 0.00 P ATOM 68 OP1 C A 3 5.887 0.777 8.177 1.00 0.00 O ATOM 69 OP2 C A 3 3.673 0.651 6.894 1.00 0.00 O ATOM 70 O5' C A 3 5.546 -0.928 6.372 1.00 0.00 O ATOM 71 C5' C A 3 6.795 -1.576 6.628 1.00 0.00 C ATOM 72 C4' C A 3 7.234 -2.440 5.449 1.00 0.00 C ATOM 73 O4' C A 3 6.336 -3.548 5.317 1.00 0.00 O ATOM 74 C3' C A 3 7.175 -1.751 4.099 1.00 0.00 C ATOM 75 O3' C A 3 8.469 -1.188 3.856 1.00 0.00 O ATOM 76 C2' C A 3 6.992 -2.908 3.129 1.00 0.00 C ATOM 77 O2' C A 3 8.247 -3.534 2.842 1.00 0.00 O ATOM 78 C1' C A 3 6.095 -3.851 3.930 1.00 0.00 C ATOM 79 N1 C A 3 4.658 -3.647 3.637 1.00 0.00 N ATOM 80 C2 C A 3 4.065 -4.485 2.702 1.00 0.00 C ATOM 81 O2 C A 3 4.729 -5.357 2.142 1.00 0.00 O ATOM 82 N3 C A 3 2.743 -4.322 2.423 1.00 0.00 N ATOM 83 C4 C A 3 2.027 -3.371 3.035 1.00 0.00 C ATOM 84 N4 C A 3 0.736 -3.265 2.726 1.00 0.00 N ATOM 85 C5 C A 3 2.630 -2.502 3.997 1.00 0.00 C ATOM 86 C6 C A 3 3.936 -2.671 4.267 1.00 0.00 C ATOM 0 H5' C A 3 6.708 -2.195 7.521 1.00 0.00 H new ATOM 0 H5'' C A 3 7.559 -0.826 6.834 1.00 0.00 H new ATOM 0 H4' C A 3 8.266 -2.707 5.676 1.00 0.00 H new ATOM 0 H3' C A 3 6.406 -0.982 4.022 1.00 0.00 H new ATOM 0 H2' C A 3 6.580 -2.613 2.164 1.00 0.00 H new ATOM 0 HO2' C A 3 8.978 -2.931 3.093 1.00 0.00 H new ATOM 0 H1' C A 3 6.326 -4.884 3.672 1.00 0.00 H new ATOM 0 H41 C A 3 0.161 -2.551 3.174 1.00 0.00 H new ATOM 0 H42 C A 3 0.322 -3.898 2.041 1.00 0.00 H new ATOM 0 H5 C A 3 2.054 -1.734 4.491 1.00 0.00 H new ATOM 0 H6 C A 3 4.420 -2.030 4.989 1.00 0.00 H new ATOM 98 P C A 4 8.619 0.265 3.179 1.00 0.00 P ATOM 99 OP1 C A 4 10.042 0.664 3.252 1.00 0.00 O ATOM 100 OP2 C A 4 7.575 1.150 3.743 1.00 0.00 O ATOM 101 O5' C A 4 8.254 -0.027 1.638 1.00 0.00 O ATOM 102 C5' C A 4 9.099 -0.852 0.831 1.00 0.00 C ATOM 103 C4' C A 4 8.560 -0.989 -0.591 1.00 0.00 C ATOM 104 O4' C A 4 7.576 -2.029 -0.628 1.00 0.00 O ATOM 105 C3' C A 4 7.816 0.228 -1.115 1.00 0.00 C ATOM 106 O3' C A 4 8.771 1.068 -1.773 1.00 0.00 O ATOM 107 C2' C A 4 6.919 -0.372 -2.182 1.00 0.00 C ATOM 108 O2' C A 4 7.658 -0.646 -3.375 1.00 0.00 O ATOM 109 C1' C A 4 6.490 -1.670 -1.503 1.00 0.00 C ATOM 110 N1 C A 4 5.273 -1.476 -0.690 1.00 0.00 N ATOM 111 C2 C A 4 4.052 -1.811 -1.256 1.00 0.00 C ATOM 112 O2 C A 4 4.000 -2.279 -2.392 1.00 0.00 O ATOM 113 N3 C A 4 2.921 -1.605 -0.528 1.00 0.00 N ATOM 114 C4 C A 4 2.986 -1.090 0.707 1.00 0.00 C ATOM 115 N4 C A 4 1.842 -0.906 1.364 1.00 0.00 N ATOM 116 C5 C A 4 4.243 -0.745 1.293 1.00 0.00 C ATOM 117 C6 C A 4 5.351 -0.954 0.567 1.00 0.00 C ATOM 0 H5' C A 4 9.185 -1.839 1.285 1.00 0.00 H new ATOM 0 H5'' C A 4 10.102 -0.427 0.801 1.00 0.00 H new ATOM 0 H4' C A 4 9.449 -1.166 -1.196 1.00 0.00 H new ATOM 0 H3' C A 4 7.288 0.798 -0.351 1.00 0.00 H new ATOM 0 H2' C A 4 6.096 0.271 -2.494 1.00 0.00 H new ATOM 0 HO2' C A 4 8.513 -0.167 -3.348 1.00 0.00 H new ATOM 0 H1' C A 4 6.270 -2.435 -2.248 1.00 0.00 H new ATOM 0 H41 C A 4 1.852 -0.516 2.306 1.00 0.00 H new ATOM 0 H42 C A 4 0.956 -1.155 0.925 1.00 0.00 H new ATOM 0 H5 C A 4 4.299 -0.329 2.288 1.00 0.00 H new ATOM 0 H6 C A 4 6.316 -0.706 0.983 1.00 0.00 H new ATOM 129 P U A 5 8.498 2.645 -1.935 1.00 0.00 P ATOM 130 OP1 U A 5 9.579 3.220 -2.765 1.00 0.00 O ATOM 131 OP2 U A 5 8.220 3.208 -0.595 1.00 0.00 O ATOM 132 O5' U A 5 7.132 2.681 -2.788 1.00 0.00 O ATOM 133 C5' U A 5 7.133 2.360 -4.184 1.00 0.00 C ATOM 134 C4' U A 5 5.802 2.685 -4.835 1.00 0.00 C ATOM 135 O4' U A 5 4.826 1.752 -4.381 1.00 0.00 O ATOM 136 C3' U A 5 5.231 4.043 -4.468 1.00 0.00 C ATOM 137 O3' U A 5 5.652 4.964 -5.480 1.00 0.00 O ATOM 138 C2' U A 5 3.734 3.843 -4.629 1.00 0.00 C ATOM 139 O2' U A 5 3.346 3.994 -5.999 1.00 0.00 O ATOM 140 C1' U A 5 3.559 2.392 -4.182 1.00 0.00 C ATOM 141 N1 U A 5 3.186 2.281 -2.755 1.00 0.00 N ATOM 142 C2 U A 5 1.837 2.304 -2.437 1.00 0.00 C ATOM 143 O2 U A 5 0.958 2.428 -3.287 1.00 0.00 O ATOM 144 N3 U A 5 1.531 2.182 -1.096 1.00 0.00 N ATOM 145 C4 U A 5 2.439 2.041 -0.063 1.00 0.00 C ATOM 146 O4 U A 5 2.040 1.930 1.094 1.00 0.00 O ATOM 147 C5 U A 5 3.824 2.029 -0.474 1.00 0.00 C ATOM 148 C6 U A 5 4.146 2.148 -1.784 1.00 0.00 C ATOM 0 H5' U A 5 7.352 1.300 -4.314 1.00 0.00 H new ATOM 0 H5'' U A 5 7.928 2.914 -4.684 1.00 0.00 H new ATOM 0 H4' U A 5 6.001 2.658 -5.906 1.00 0.00 H new ATOM 0 H3' U A 5 5.526 4.401 -3.482 1.00 0.00 H new ATOM 0 H2' U A 5 3.132 4.558 -4.069 1.00 0.00 H new ATOM 0 HO2' U A 5 4.082 4.396 -6.505 1.00 0.00 H new ATOM 0 H1' U A 5 2.755 1.931 -4.756 1.00 0.00 H new ATOM 0 H3 U A 5 0.543 2.197 -0.844 1.00 0.00 H new ATOM 0 H5 U A 5 4.604 1.925 0.265 1.00 0.00 H new ATOM 0 H6 U A 5 5.187 2.138 -2.072 1.00 0.00 H new ATOM 159 P G A 6 6.159 6.442 -5.087 1.00 0.00 P ATOM 160 OP1 G A 6 6.652 7.104 -6.315 1.00 0.00 O ATOM 161 OP2 G A 6 7.041 6.330 -3.903 1.00 0.00 O ATOM 162 O5' G A 6 4.796 7.169 -4.632 1.00 0.00 O ATOM 163 C5' G A 6 3.721 7.354 -5.559 1.00 0.00 C ATOM 164 C4' G A 6 2.368 7.326 -4.857 1.00 0.00 C ATOM 165 O4' G A 6 2.340 6.232 -3.950 1.00 0.00 O ATOM 166 C3' G A 6 2.076 8.529 -3.973 1.00 0.00 C ATOM 167 O3' G A 6 1.278 9.437 -4.741 1.00 0.00 O ATOM 168 C2' G A 6 1.191 7.973 -2.848 1.00 0.00 C ATOM 169 O2' G A 6 -0.166 8.313 -3.048 1.00 0.00 O ATOM 170 C1' G A 6 1.342 6.462 -2.957 1.00 0.00 C ATOM 171 N9 G A 6 1.778 5.875 -1.677 1.00 0.00 N ATOM 172 C8 G A 6 3.053 5.616 -1.245 1.00 0.00 C ATOM 173 N7 G A 6 3.110 5.153 -0.029 1.00 0.00 N ATOM 174 C5 G A 6 1.781 5.101 0.375 1.00 0.00 C ATOM 175 C6 G A 6 1.218 4.677 1.611 1.00 0.00 C ATOM 176 O6 G A 6 1.800 4.263 2.611 1.00 0.00 O ATOM 177 N1 G A 6 -0.163 4.782 1.607 1.00 0.00 N ATOM 178 C2 G A 6 -0.916 5.236 0.547 1.00 0.00 C ATOM 179 N2 G A 6 -2.239 5.279 0.718 1.00 0.00 N ATOM 180 N3 G A 6 -0.398 5.635 -0.617 1.00 0.00 N ATOM 181 C4 G A 6 0.954 5.541 -0.629 1.00 0.00 C ATOM 0 H5' G A 6 3.755 6.572 -6.318 1.00 0.00 H new ATOM 0 H5'' G A 6 3.844 8.306 -6.076 1.00 0.00 H new ATOM 0 H4' G A 6 1.644 7.284 -5.670 1.00 0.00 H new ATOM 0 H3' G A 6 2.975 9.024 -3.606 1.00 0.00 H new ATOM 0 H2' G A 6 1.483 8.373 -1.877 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.560 8.599 -2.198 1.00 0.00 H new ATOM 0 H1' G A 6 0.389 6.001 -3.216 1.00 0.00 H new ATOM 0 H8 G A 6 3.928 5.781 -1.856 1.00 0.00 H new ATOM 0 H1 G A 6 -0.660 4.502 2.453 1.00 0.00 H new ATOM 0 H21 G A 6 -2.840 5.608 -0.037 1.00 0.00 H new ATOM 0 H22 G A 6 -2.649 4.983 1.604 1.00 0.00 H new ATOM 193 P A A 7 0.952 10.920 -4.187 1.00 0.00 P ATOM 194 OP1 A A 7 1.028 11.866 -5.323 1.00 0.00 O ATOM 195 OP2 A A 7 1.765 11.158 -2.973 1.00 0.00 O ATOM 196 O5' A A 7 -0.591 10.790 -3.743 1.00 0.00 O ATOM 197 C5' A A 7 -1.432 9.834 -4.391 1.00 0.00 C ATOM 198 C4' A A 7 -2.716 9.563 -3.630 1.00 0.00 C ATOM 199 O4' A A 7 -2.397 8.812 -2.450 1.00 0.00 O ATOM 200 C3' A A 7 -3.441 10.793 -3.125 1.00 0.00 C ATOM 201 O3' A A 7 -4.794 10.344 -2.925 1.00 0.00 O ATOM 202 C2' A A 7 -2.747 11.037 -1.782 1.00 0.00 C ATOM 203 O2' A A 7 -3.573 11.768 -0.889 1.00 0.00 O ATOM 204 C1' A A 7 -2.522 9.616 -1.273 1.00 0.00 C ATOM 205 N9 A A 7 -1.272 9.486 -0.485 1.00 0.00 N ATOM 206 C8 A A 7 -0.025 9.987 -0.768 1.00 0.00 C ATOM 207 N7 A A 7 0.876 9.690 0.124 1.00 0.00 N ATOM 208 C5 A A 7 0.182 8.941 1.062 1.00 0.00 C ATOM 209 C6 A A 7 0.573 8.322 2.261 1.00 0.00 C ATOM 210 N6 A A 7 1.817 8.361 2.739 1.00 0.00 N ATOM 211 N1 A A 7 -0.363 7.656 2.955 1.00 0.00 N ATOM 212 C2 A A 7 -1.602 7.611 2.485 1.00 0.00 C ATOM 213 N3 A A 7 -2.094 8.145 1.378 1.00 0.00 N ATOM 214 C4 A A 7 -1.129 8.807 0.705 1.00 0.00 C ATOM 0 H5' A A 7 -0.884 8.900 -4.513 1.00 0.00 H new ATOM 0 H5'' A A 7 -1.677 10.192 -5.391 1.00 0.00 H new ATOM 0 H4' A A 7 -3.361 9.052 -4.345 1.00 0.00 H new ATOM 0 H3' A A 7 -3.434 11.683 -3.755 1.00 0.00 H new ATOM 0 H2' A A 7 -1.835 11.628 -1.870 1.00 0.00 H new ATOM 0 HO2' A A 7 -3.644 11.285 -0.039 1.00 0.00 H new ATOM 0 H1' A A 7 -3.342 9.321 -0.618 1.00 0.00 H new ATOM 0 H8 A A 7 0.189 10.573 -1.649 1.00 0.00 H new ATOM 0 H61 A A 7 2.041 7.892 3.616 1.00 0.00 H new ATOM 0 H62 A A 7 2.545 8.860 2.227 1.00 0.00 H new ATOM 0 H2 A A 7 -2.309 7.062 3.090 1.00 0.00 H new ATOM 226 P U A 8 -5.941 11.186 -2.166 1.00 0.00 P ATOM 227 OP1 U A 8 -7.211 10.992 -2.900 1.00 0.00 O ATOM 228 OP2 U A 8 -5.459 12.559 -1.895 1.00 0.00 O ATOM 229 O5' U A 8 -6.036 10.366 -0.785 1.00 0.00 O ATOM 230 C5' U A 8 -5.924 8.937 -0.830 1.00 0.00 C ATOM 231 C4' U A 8 -5.551 8.327 0.517 1.00 0.00 C ATOM 232 O4' U A 8 -4.408 9.001 1.054 1.00 0.00 O ATOM 233 C3' U A 8 -6.627 8.444 1.589 1.00 0.00 C ATOM 234 O3' U A 8 -6.484 7.309 2.453 1.00 0.00 O ATOM 235 C2' U A 8 -6.189 9.670 2.367 1.00 0.00 C ATOM 236 O2' U A 8 -6.713 9.657 3.697 1.00 0.00 O ATOM 237 C1' U A 8 -4.689 9.482 2.367 1.00 0.00 C ATOM 238 N1 U A 8 -3.944 10.736 2.588 1.00 0.00 N ATOM 239 C2 U A 8 -3.757 11.152 3.896 1.00 0.00 C ATOM 240 O2 U A 8 -4.196 10.530 4.862 1.00 0.00 O ATOM 241 N3 U A 8 -3.040 12.323 4.059 1.00 0.00 N ATOM 242 C4 U A 8 -2.505 13.098 3.048 1.00 0.00 C ATOM 243 O4 U A 8 -1.883 14.122 3.322 1.00 0.00 O ATOM 244 C5 U A 8 -2.744 12.596 1.714 1.00 0.00 C ATOM 245 C6 U A 8 -3.444 11.450 1.532 1.00 0.00 C ATOM 0 H5' U A 8 -5.172 8.660 -1.569 1.00 0.00 H new ATOM 0 H5'' U A 8 -6.871 8.514 -1.165 1.00 0.00 H new ATOM 0 H4' U A 8 -5.381 7.273 0.299 1.00 0.00 H new ATOM 0 H3' U A 8 -7.646 8.500 1.206 1.00 0.00 H new ATOM 0 H2' U A 8 -6.528 10.617 1.947 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.023 9.961 4.323 1.00 0.00 H new ATOM 0 H1' U A 8 -4.385 8.815 3.174 1.00 0.00 H new ATOM 0 H3 U A 8 -2.892 12.645 5.016 1.00 0.00 H new ATOM 0 H5 U A 8 -2.364 13.136 0.859 1.00 0.00 H new ATOM 0 H6 U A 8 -3.612 11.090 0.528 1.00 0.00 H new ATOM 256 P A A 9 -7.776 6.534 3.032 1.00 0.00 P ATOM 257 OP1 A A 9 -8.379 7.370 4.093 1.00 0.00 O ATOM 258 OP2 A A 9 -7.380 5.139 3.329 1.00 0.00 O ATOM 259 O5' A A 9 -8.781 6.519 1.771 1.00 0.00 O ATOM 260 C5' A A 9 -9.183 5.286 1.160 1.00 0.00 C ATOM 261 C4' A A 9 -9.693 5.507 -0.264 1.00 0.00 C ATOM 262 O4' A A 9 -9.101 6.709 -0.791 1.00 0.00 O ATOM 263 C3' A A 9 -9.311 4.419 -1.270 1.00 0.00 C ATOM 264 O3' A A 9 -10.441 3.550 -1.428 1.00 0.00 O ATOM 265 C2' A A 9 -9.149 5.202 -2.566 1.00 0.00 C ATOM 266 O2' A A 9 -10.422 5.525 -3.132 1.00 0.00 O ATOM 267 C1' A A 9 -8.462 6.448 -2.048 1.00 0.00 C ATOM 268 N9 A A 9 -7.019 6.231 -1.820 1.00 0.00 N ATOM 269 C8 A A 9 -6.389 5.812 -0.679 1.00 0.00 C ATOM 270 N7 A A 9 -5.095 5.697 -0.807 1.00 0.00 N ATOM 271 C5 A A 9 -4.858 6.075 -2.121 1.00 0.00 C ATOM 272 C6 A A 9 -3.683 6.175 -2.883 1.00 0.00 C ATOM 273 N6 A A 9 -2.470 5.898 -2.408 1.00 0.00 N ATOM 274 N1 A A 9 -3.797 6.580 -4.154 1.00 0.00 N ATOM 275 C2 A A 9 -5.001 6.866 -4.632 1.00 0.00 C ATOM 276 N3 A A 9 -6.175 6.814 -4.025 1.00 0.00 N ATOM 277 C4 A A 9 -6.023 6.403 -2.750 1.00 0.00 C ATOM 0 H5' A A 9 -9.965 4.820 1.759 1.00 0.00 H new ATOM 0 H5'' A A 9 -8.340 4.595 1.143 1.00 0.00 H new ATOM 0 H4' A A 9 -10.778 5.530 -0.164 1.00 0.00 H new ATOM 0 H3' A A 9 -8.435 3.836 -0.984 1.00 0.00 H new ATOM 0 H2' A A 9 -8.612 4.674 -3.354 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.783 4.740 -3.595 1.00 0.00 H new ATOM 0 H1' A A 9 -8.543 7.266 -2.764 1.00 0.00 H new ATOM 0 H8 A A 9 -6.913 5.597 0.240 1.00 0.00 H new ATOM 0 H61 A A 9 -1.653 5.990 -3.011 1.00 0.00 H new ATOM 0 H62 A A 9 -2.358 5.594 -1.441 1.00 0.00 H new ATOM 0 H2 A A 9 -5.026 7.187 -5.663 1.00 0.00 H new ATOM 289 P G A 10 -10.384 2.299 -2.451 1.00 0.00 P ATOM 290 OP1 G A 10 -11.736 1.701 -2.526 1.00 0.00 O ATOM 291 OP2 G A 10 -9.223 1.456 -2.091 1.00 0.00 O ATOM 292 O5' G A 10 -10.071 3.022 -3.859 1.00 0.00 O ATOM 293 C5' G A 10 -10.350 2.382 -5.108 1.00 0.00 C ATOM 294 C4' G A 10 -9.085 1.865 -5.795 1.00 0.00 C ATOM 295 O4' G A 10 -8.041 2.840 -5.677 1.00 0.00 O ATOM 296 C3' G A 10 -8.475 0.613 -5.197 1.00 0.00 C ATOM 297 O3' G A 10 -9.081 -0.512 -5.843 1.00 0.00 O ATOM 298 C2' G A 10 -7.034 0.697 -5.679 1.00 0.00 C ATOM 299 O2' G A 10 -6.927 0.274 -7.043 1.00 0.00 O ATOM 300 C1' G A 10 -6.758 2.194 -5.559 1.00 0.00 C ATOM 301 N9 G A 10 -6.168 2.537 -4.255 1.00 0.00 N ATOM 302 C8 G A 10 -6.807 2.720 -3.057 1.00 0.00 C ATOM 303 N7 G A 10 -6.002 2.961 -2.063 1.00 0.00 N ATOM 304 C5 G A 10 -4.737 2.938 -2.641 1.00 0.00 C ATOM 305 C6 G A 10 -3.461 3.135 -2.047 1.00 0.00 C ATOM 306 O6 G A 10 -3.195 3.360 -0.871 1.00 0.00 O ATOM 307 N1 G A 10 -2.441 3.033 -2.981 1.00 0.00 N ATOM 308 C2 G A 10 -2.622 2.771 -4.321 1.00 0.00 C ATOM 309 N2 G A 10 -1.526 2.712 -5.078 1.00 0.00 N ATOM 310 N3 G A 10 -3.816 2.583 -4.888 1.00 0.00 N ATOM 311 C4 G A 10 -4.826 2.681 -3.988 1.00 0.00 C ATOM 0 H5' G A 10 -10.857 3.086 -5.768 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.035 1.551 -4.942 1.00 0.00 H new ATOM 0 H4' G A 10 -9.418 1.654 -6.811 1.00 0.00 H new ATOM 0 H3' G A 10 -8.588 0.524 -4.116 1.00 0.00 H new ATOM 0 H2' G A 10 -6.342 0.066 -5.121 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.017 -0.701 -7.091 1.00 0.00 H new ATOM 0 H1' G A 10 -6.050 2.510 -6.325 1.00 0.00 H new ATOM 0 H8 G A 10 -7.880 2.669 -2.947 1.00 0.00 H new ATOM 0 H1 G A 10 -1.485 3.162 -2.651 1.00 0.00 H new ATOM 0 H21 G A 10 -1.606 2.521 -6.077 1.00 0.00 H new ATOM 0 H22 G A 10 -0.608 2.858 -4.658 1.00 0.00 H new ATOM 323 P G A 11 -8.719 -2.017 -5.391 1.00 0.00 P ATOM 324 OP1 G A 11 -9.694 -2.936 -6.020 1.00 0.00 O ATOM 325 OP2 G A 11 -8.537 -2.027 -3.921 1.00 0.00 O ATOM 326 O5' G A 11 -7.282 -2.255 -6.086 1.00 0.00 O ATOM 327 C5' G A 11 -6.110 -2.484 -5.295 1.00 0.00 C ATOM 328 C4' G A 11 -4.859 -1.956 -5.990 1.00 0.00 C ATOM 329 O4' G A 11 -4.520 -0.677 -5.439 1.00 0.00 O ATOM 330 C3' G A 11 -3.611 -2.797 -5.787 1.00 0.00 C ATOM 331 O3' G A 11 -3.519 -3.683 -6.908 1.00 0.00 O ATOM 332 C2' G A 11 -2.481 -1.786 -5.916 1.00 0.00 C ATOM 333 O2' G A 11 -2.167 -1.548 -7.290 1.00 0.00 O ATOM 334 C1' G A 11 -3.097 -0.537 -5.285 1.00 0.00 C ATOM 335 N9 G A 11 -2.788 -0.416 -3.844 1.00 0.00 N ATOM 336 C8 G A 11 -3.651 -0.204 -2.800 1.00 0.00 C ATOM 337 N7 G A 11 -3.061 -0.124 -1.639 1.00 0.00 N ATOM 338 C5 G A 11 -1.714 -0.296 -1.935 1.00 0.00 C ATOM 339 C6 G A 11 -0.586 -0.307 -1.069 1.00 0.00 C ATOM 340 O6 G A 11 -0.562 -0.160 0.150 1.00 0.00 O ATOM 341 N1 G A 11 0.592 -0.511 -1.767 1.00 0.00 N ATOM 342 C2 G A 11 0.683 -0.685 -3.129 1.00 0.00 C ATOM 343 N2 G A 11 1.902 -0.881 -3.633 1.00 0.00 N ATOM 344 N3 G A 11 -0.369 -0.677 -3.952 1.00 0.00 N ATOM 345 C4 G A 11 -1.532 -0.477 -3.285 1.00 0.00 C ATOM 0 H5' G A 11 -6.000 -3.552 -5.105 1.00 0.00 H new ATOM 0 H5'' G A 11 -6.222 -1.998 -4.326 1.00 0.00 H new ATOM 0 H4' G A 11 -5.118 -1.948 -7.049 1.00 0.00 H new ATOM 0 H3' G A 11 -3.597 -3.357 -4.852 1.00 0.00 H new ATOM 0 H2' G A 11 -1.550 -2.107 -5.449 1.00 0.00 H new ATOM 0 HO2' G A 11 -2.425 -2.328 -7.824 1.00 0.00 H new ATOM 0 H1' G A 11 -2.694 0.352 -5.770 1.00 0.00 H new ATOM 0 H8 G A 11 -4.720 -0.112 -2.927 1.00 0.00 H new ATOM 0 H1 G A 11 1.459 -0.534 -1.230 1.00 0.00 H new ATOM 0 H21 G A 11 2.023 -1.015 -4.637 1.00 0.00 H new ATOM 0 H22 G A 11 2.713 -0.897 -3.015 1.00 0.00 H new ATOM 357 P G A 12 -3.073 -5.220 -6.716 1.00 0.00 P ATOM 358 OP1 G A 12 -3.772 -6.034 -7.735 1.00 0.00 O ATOM 359 OP2 G A 12 -3.197 -5.568 -5.282 1.00 0.00 O ATOM 360 O5' G A 12 -1.507 -5.178 -7.091 1.00 0.00 O ATOM 361 C5' G A 12 -0.805 -6.375 -7.442 1.00 0.00 C ATOM 362 C4' G A 12 0.665 -6.307 -7.040 1.00 0.00 C ATOM 363 O4' G A 12 0.959 -4.996 -6.544 1.00 0.00 O ATOM 364 C3' G A 12 1.051 -7.239 -5.901 1.00 0.00 C ATOM 365 O3' G A 12 1.570 -8.433 -6.495 1.00 0.00 O ATOM 366 C2' G A 12 2.214 -6.520 -5.238 1.00 0.00 C ATOM 367 O2' G A 12 3.434 -6.768 -5.942 1.00 0.00 O ATOM 368 C1' G A 12 1.802 -5.058 -5.381 1.00 0.00 C ATOM 369 N9 G A 12 1.030 -4.572 -4.218 1.00 0.00 N ATOM 370 C8 G A 12 -0.254 -4.095 -4.182 1.00 0.00 C ATOM 371 N7 G A 12 -0.649 -3.735 -2.994 1.00 0.00 N ATOM 372 C5 G A 12 0.448 -3.994 -2.182 1.00 0.00 C ATOM 373 C6 G A 12 0.612 -3.802 -0.785 1.00 0.00 C ATOM 374 O6 G A 12 -0.199 -3.356 0.022 1.00 0.00 O ATOM 375 N1 G A 12 1.872 -4.190 -0.360 1.00 0.00 N ATOM 376 C2 G A 12 2.858 -4.699 -1.174 1.00 0.00 C ATOM 377 N2 G A 12 4.016 -5.018 -0.597 1.00 0.00 N ATOM 378 N3 G A 12 2.715 -4.883 -2.490 1.00 0.00 N ATOM 379 C4 G A 12 1.487 -4.508 -2.922 1.00 0.00 C ATOM 0 H5' G A 12 -0.881 -6.539 -8.517 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.276 -7.229 -6.955 1.00 0.00 H new ATOM 0 H4' G A 12 1.212 -6.587 -7.941 1.00 0.00 H new ATOM 0 H3' G A 12 0.233 -7.474 -5.220 1.00 0.00 H new ATOM 0 H2' G A 12 2.397 -6.833 -4.210 1.00 0.00 H new ATOM 0 HO2' G A 12 3.264 -7.386 -6.684 1.00 0.00 H new ATOM 0 H1' G A 12 2.693 -4.435 -5.457 1.00 0.00 H new ATOM 0 H8 G A 12 -0.881 -4.024 -5.058 1.00 0.00 H new ATOM 0 H1 G A 12 2.085 -4.091 0.632 1.00 0.00 H new ATOM 0 H21 G A 12 4.778 -5.399 -1.158 1.00 0.00 H new ATOM 0 H22 G A 12 4.141 -4.881 0.406 1.00 0.00 H new ATOM 391 P U A 13 1.301 -9.871 -5.822 1.00 0.00 P ATOM 392 OP1 U A 13 1.642 -10.917 -6.812 1.00 0.00 O ATOM 393 OP2 U A 13 -0.043 -9.850 -5.204 1.00 0.00 O ATOM 394 O5' U A 13 2.398 -9.917 -4.643 1.00 0.00 O ATOM 395 C5' U A 13 3.791 -9.774 -4.935 1.00 0.00 C ATOM 396 C4' U A 13 4.621 -9.668 -3.660 1.00 0.00 C ATOM 397 O4' U A 13 4.406 -8.384 -3.063 1.00 0.00 O ATOM 398 C3' U A 13 4.241 -10.653 -2.568 1.00 0.00 C ATOM 399 O3' U A 13 5.082 -11.800 -2.721 1.00 0.00 O ATOM 400 C2' U A 13 4.668 -9.939 -1.296 1.00 0.00 C ATOM 401 O2' U A 13 6.073 -10.094 -1.075 1.00 0.00 O ATOM 402 C1' U A 13 4.336 -8.486 -1.630 1.00 0.00 C ATOM 403 N1 U A 13 2.975 -8.106 -1.187 1.00 0.00 N ATOM 404 C2 U A 13 2.820 -7.713 0.133 1.00 0.00 C ATOM 405 O2 U A 13 3.752 -7.693 0.934 1.00 0.00 O ATOM 406 N3 U A 13 1.542 -7.348 0.505 1.00 0.00 N ATOM 407 C4 U A 13 0.425 -7.339 -0.308 1.00 0.00 C ATOM 408 O4 U A 13 -0.661 -6.985 0.145 1.00 0.00 O ATOM 409 C5 U A 13 0.666 -7.764 -1.666 1.00 0.00 C ATOM 410 C6 U A 13 1.913 -8.128 -2.055 1.00 0.00 C ATOM 0 H5' U A 13 3.946 -8.885 -5.546 1.00 0.00 H new ATOM 0 H5'' U A 13 4.130 -10.628 -5.522 1.00 0.00 H new ATOM 0 H4' U A 13 5.643 -9.861 -3.984 1.00 0.00 H new ATOM 0 H3' U A 13 3.192 -10.950 -2.578 1.00 0.00 H new ATOM 0 H2' U A 13 4.184 -10.313 -0.394 1.00 0.00 H new ATOM 0 HO2' U A 13 6.454 -10.659 -1.779 1.00 0.00 H new ATOM 0 H1' U A 13 5.032 -7.821 -1.120 1.00 0.00 H new ATOM 0 H3 U A 13 1.409 -7.057 1.474 1.00 0.00 H new ATOM 0 H5 U A 13 -0.149 -7.792 -2.374 1.00 0.00 H new ATOM 0 H6 U A 13 2.074 -8.444 -3.075 1.00 0.00 H new ATOM 421 P C A 14 4.573 -13.258 -2.264 1.00 0.00 P ATOM 422 OP1 C A 14 5.640 -14.237 -2.565 1.00 0.00 O ATOM 423 OP2 C A 14 3.210 -13.463 -2.803 1.00 0.00 O ATOM 424 O5' C A 14 4.464 -13.106 -0.664 1.00 0.00 O ATOM 425 C5' C A 14 5.633 -12.868 0.126 1.00 0.00 C ATOM 426 C4' C A 14 5.277 -12.516 1.567 1.00 0.00 C ATOM 427 O4' C A 14 4.632 -11.243 1.600 1.00 0.00 O ATOM 428 C3' C A 14 4.273 -13.449 2.224 1.00 0.00 C ATOM 429 O3' C A 14 4.930 -14.599 2.760 1.00 0.00 O ATOM 430 C2' C A 14 3.724 -12.569 3.344 1.00 0.00 C ATOM 431 O2' C A 14 4.592 -12.605 4.481 1.00 0.00 O ATOM 432 C1' C A 14 3.728 -11.174 2.712 1.00 0.00 C ATOM 433 N1 C A 14 2.388 -10.778 2.226 1.00 0.00 N ATOM 434 C2 C A 14 1.569 -10.067 3.096 1.00 0.00 C ATOM 435 O2 C A 14 1.964 -9.778 4.224 1.00 0.00 O ATOM 436 N3 C A 14 0.327 -9.705 2.675 1.00 0.00 N ATOM 437 C4 C A 14 -0.098 -10.027 1.445 1.00 0.00 C ATOM 438 N4 C A 14 -1.326 -9.647 1.093 1.00 0.00 N ATOM 439 C5 C A 14 0.739 -10.756 0.546 1.00 0.00 C ATOM 440 C6 C A 14 1.963 -11.110 0.971 1.00 0.00 C ATOM 0 H5' C A 14 6.211 -12.056 -0.315 1.00 0.00 H new ATOM 0 H5'' C A 14 6.267 -13.754 0.114 1.00 0.00 H new ATOM 0 H4' C A 14 6.228 -12.567 2.096 1.00 0.00 H new ATOM 0 H3' C A 14 3.511 -13.835 1.547 1.00 0.00 H new ATOM 0 H2' C A 14 2.743 -12.882 3.700 1.00 0.00 H new ATOM 0 HO2' C A 14 5.199 -13.371 4.405 1.00 0.00 H new ATOM 0 HO3' C A 14 4.269 -15.187 3.180 1.00 0.00 H new ATOM 0 H1' C A 14 4.027 -10.433 3.453 1.00 0.00 H new ATOM 0 H41 C A 14 -1.684 -9.874 0.165 1.00 0.00 H new ATOM 0 H42 C A 14 -1.908 -9.129 1.751 1.00 0.00 H new ATOM 0 H5 C A 14 0.398 -11.015 -0.446 1.00 0.00 H new ATOM 0 H6 C A 14 2.618 -11.663 0.314 1.00 0.00 H new TER 453 C A 14