USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 -77:sc= 0.187 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00998 USER MOD Single : A 2 G O2' : rot -16:sc= -0.183 USER MOD Single : A 3 A O2' : rot -29:sc= 0.151 USER MOD Single : A 4 U O2' : rot -170:sc= -0.306 USER MOD Single : A 5 G O2' : rot -7:sc= 0.101 USER MOD Single : A 6 U O2' : rot -15:sc= -0.459 USER MOD Single : A 7 C O2' : rot -18:sc= 0.114 USER MOD Single : A 8 C O2' : rot -31:sc= 0.162 USER MOD Single : A 8 C O3' : rot 180:sc= 0.171 USER MOD Single : B 9 G O2' : rot -76:sc= 0.147 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot -17:sc= -0.174 USER MOD Single : B 11 A O2' : rot -23:sc= 0.156 USER MOD Single : B 12 U O2' : rot -170:sc= -0.308 USER MOD Single : B 13 G O2' : rot -7:sc= 0.0881 USER MOD Single : B 14 U O2' : rot -14:sc= -0.467 USER MOD Single : B 15 C O2' : rot 180:sc= -0.238 USER MOD Single : B 16 C O2' : rot -28:sc= 0.123 USER MOD Single : B 16 C O3' : rot 180:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.725 -8.591 4.278 1.00 0.00 O ATOM 2 C5' G A 1 8.106 -8.770 4.051 1.00 0.00 C ATOM 3 C4' G A 1 8.775 -7.414 3.814 1.00 0.00 C ATOM 4 O4' G A 1 8.226 -6.758 2.679 1.00 0.00 O ATOM 5 C3' G A 1 8.562 -6.447 4.960 1.00 0.00 C ATOM 6 O3' G A 1 9.400 -6.730 6.065 1.00 0.00 O ATOM 7 C2' G A 1 8.922 -5.140 4.291 1.00 0.00 C ATOM 8 O2' G A 1 10.329 -4.998 4.248 1.00 0.00 O ATOM 9 C1' G A 1 8.401 -5.345 2.864 1.00 0.00 C ATOM 10 N9 G A 1 7.107 -4.651 2.689 1.00 0.00 N ATOM 11 C8 G A 1 5.836 -5.155 2.791 1.00 0.00 C ATOM 12 N7 G A 1 4.898 -4.278 2.561 1.00 0.00 N ATOM 13 C5 G A 1 5.595 -3.105 2.289 1.00 0.00 C ATOM 14 C6 G A 1 5.108 -1.804 1.963 1.00 0.00 C ATOM 15 O6 G A 1 3.943 -1.432 1.849 1.00 0.00 O ATOM 16 N1 G A 1 6.149 -0.903 1.766 1.00 0.00 N ATOM 17 C2 G A 1 7.489 -1.208 1.871 1.00 0.00 C ATOM 18 N2 G A 1 8.353 -0.210 1.657 1.00 0.00 N ATOM 19 N3 G A 1 7.949 -2.427 2.173 1.00 0.00 N ATOM 20 C4 G A 1 6.949 -3.323 2.369 1.00 0.00 C ATOM 0 H5' G A 1 8.261 -9.417 3.188 1.00 0.00 H new ATOM 0 H5'' G A 1 8.563 -9.266 4.907 1.00 0.00 H new ATOM 0 H4' G A 1 9.832 -7.649 3.690 1.00 0.00 H new ATOM 0 H3' G A 1 7.561 -6.474 5.391 1.00 0.00 H new ATOM 0 H2' G A 1 8.516 -4.264 4.797 1.00 0.00 H new ATOM 0 HO2' G A 1 10.657 -4.726 5.130 1.00 0.00 H new ATOM 0 HO5' G A 1 6.302 -9.462 4.427 1.00 0.00 H new ATOM 0 H1' G A 1 9.102 -4.939 2.135 1.00 0.00 H new ATOM 0 H8 G A 1 5.630 -6.186 3.039 1.00 0.00 H new ATOM 0 H1 G A 1 5.902 0.057 1.525 1.00 0.00 H new ATOM 0 H21 G A 1 9.356 -0.381 1.722 1.00 0.00 H new ATOM 0 H22 G A 1 8.009 0.723 1.429 1.00 0.00 H new ATOM 33 P G A 2 9.236 -5.917 7.447 1.00 0.00 P ATOM 34 OP1 G A 2 10.216 -6.449 8.420 1.00 0.00 O ATOM 35 OP2 G A 2 7.797 -5.888 7.792 1.00 0.00 O ATOM 36 O5' G A 2 9.689 -4.428 7.038 1.00 0.00 O ATOM 37 C5' G A 2 9.149 -3.304 7.696 1.00 0.00 C ATOM 38 C4' G A 2 9.677 -2.027 7.042 1.00 0.00 C ATOM 39 O4' G A 2 9.307 -1.973 5.660 1.00 0.00 O ATOM 40 C3' G A 2 9.069 -0.792 7.678 1.00 0.00 C ATOM 41 O3' G A 2 9.730 -0.416 8.873 1.00 0.00 O ATOM 42 C2' G A 2 9.268 0.210 6.566 1.00 0.00 C ATOM 43 O2' G A 2 10.627 0.582 6.482 1.00 0.00 O ATOM 44 C1' G A 2 8.905 -0.633 5.349 1.00 0.00 C ATOM 45 N9 G A 2 7.440 -0.606 5.144 1.00 0.00 N ATOM 46 C8 G A 2 6.529 -1.613 5.340 1.00 0.00 C ATOM 47 N7 G A 2 5.298 -1.270 5.090 1.00 0.00 N ATOM 48 C5 G A 2 5.394 0.059 4.692 1.00 0.00 C ATOM 49 C6 G A 2 4.373 0.966 4.287 1.00 0.00 C ATOM 50 O6 G A 2 3.163 0.766 4.214 1.00 0.00 O ATOM 51 N1 G A 2 4.895 2.208 3.948 1.00 0.00 N ATOM 52 C2 G A 2 6.232 2.541 3.989 1.00 0.00 C ATOM 53 N2 G A 2 6.552 3.787 3.621 1.00 0.00 N ATOM 54 N3 G A 2 7.195 1.694 4.374 1.00 0.00 N ATOM 55 C4 G A 2 6.705 0.473 4.711 1.00 0.00 C ATOM 0 H5' G A 2 9.419 -3.323 8.752 1.00 0.00 H new ATOM 0 H5'' G A 2 8.060 -3.328 7.645 1.00 0.00 H new ATOM 0 H4' G A 2 10.759 -2.045 7.169 1.00 0.00 H new ATOM 0 H3' G A 2 8.035 -0.911 8.001 1.00 0.00 H new ATOM 0 H2' G A 2 8.696 1.130 6.683 1.00 0.00 H new ATOM 0 HO2' G A 2 11.091 0.315 7.303 1.00 0.00 H new ATOM 0 H1' G A 2 9.390 -0.259 4.447 1.00 0.00 H new ATOM 0 H8 G A 2 6.808 -2.602 5.672 1.00 0.00 H new ATOM 0 H1 G A 2 4.239 2.928 3.646 1.00 0.00 H new ATOM 0 H21 G A 2 7.527 4.088 3.632 1.00 0.00 H new ATOM 0 H22 G A 2 5.821 4.436 3.329 1.00 0.00 H new ATOM 67 P A A 3 9.007 0.545 9.959 1.00 0.00 P ATOM 68 OP1 A A 3 9.955 0.771 11.072 1.00 0.00 O ATOM 69 OP2 A A 3 7.667 -0.017 10.241 1.00 0.00 O ATOM 70 O5' A A 3 8.805 1.942 9.181 1.00 0.00 O ATOM 71 C5' A A 3 9.909 2.762 8.868 1.00 0.00 C ATOM 72 C4' A A 3 9.428 4.007 8.119 1.00 0.00 C ATOM 73 O4' A A 3 8.708 3.649 6.936 1.00 0.00 O ATOM 74 C3' A A 3 8.475 4.869 8.925 1.00 0.00 C ATOM 75 O3' A A 3 9.152 5.722 9.825 1.00 0.00 O ATOM 76 C2' A A 3 7.790 5.651 7.839 1.00 0.00 C ATOM 77 O2' A A 3 8.639 6.682 7.378 1.00 0.00 O ATOM 78 C1' A A 3 7.640 4.596 6.751 1.00 0.00 C ATOM 79 N9 A A 3 6.330 3.915 6.888 1.00 0.00 N ATOM 80 C8 A A 3 6.057 2.626 7.274 1.00 0.00 C ATOM 81 N7 A A 3 4.792 2.315 7.231 1.00 0.00 N ATOM 82 C5 A A 3 4.177 3.485 6.801 1.00 0.00 C ATOM 83 C6 A A 3 2.833 3.819 6.555 1.00 0.00 C ATOM 84 N6 A A 3 1.823 2.954 6.704 1.00 0.00 N ATOM 85 N1 A A 3 2.566 5.078 6.162 1.00 0.00 N ATOM 86 C2 A A 3 3.571 5.937 6.014 1.00 0.00 C ATOM 87 N3 A A 3 4.870 5.741 6.198 1.00 0.00 N ATOM 88 C4 A A 3 5.106 4.470 6.601 1.00 0.00 C ATOM 0 H5' A A 3 10.623 2.210 8.256 1.00 0.00 H new ATOM 0 H5'' A A 3 10.429 3.053 9.781 1.00 0.00 H new ATOM 0 H4' A A 3 10.342 4.561 7.902 1.00 0.00 H new ATOM 0 H3' A A 3 7.802 4.295 9.562 1.00 0.00 H new ATOM 0 H2' A A 3 6.857 6.122 8.149 1.00 0.00 H new ATOM 0 HO2' A A 3 9.235 6.964 8.103 1.00 0.00 H new ATOM 0 H1' A A 3 7.686 5.046 5.759 1.00 0.00 H new ATOM 0 H8 A A 3 6.823 1.931 7.586 1.00 0.00 H new ATOM 0 H61 A A 3 0.866 3.249 6.512 1.00 0.00 H new ATOM 0 H62 A A 3 2.010 1.999 7.010 1.00 0.00 H new ATOM 0 H2 A A 3 3.290 6.932 5.701 1.00 0.00 H new ATOM 100 P U A 4 8.788 5.719 11.387 1.00 0.00 P ATOM 101 OP1 U A 4 9.764 6.572 12.101 1.00 0.00 O ATOM 102 OP2 U A 4 8.569 4.321 11.818 1.00 0.00 O ATOM 103 O5' U A 4 7.371 6.477 11.359 1.00 0.00 O ATOM 104 C5' U A 4 7.305 7.855 11.046 1.00 0.00 C ATOM 105 C4' U A 4 5.853 8.267 10.800 1.00 0.00 C ATOM 106 O4' U A 4 5.315 7.582 9.672 1.00 0.00 O ATOM 107 C3' U A 4 4.937 7.921 11.954 1.00 0.00 C ATOM 108 O3' U A 4 5.052 8.842 13.023 1.00 0.00 O ATOM 109 C2' U A 4 3.597 8.008 11.263 1.00 0.00 C ATOM 110 O2' U A 4 3.236 9.362 11.098 1.00 0.00 O ATOM 111 C1' U A 4 3.906 7.420 9.884 1.00 0.00 C ATOM 112 N1 U A 4 3.541 5.982 9.847 1.00 0.00 N ATOM 113 C2 U A 4 2.206 5.679 9.639 1.00 0.00 C ATOM 114 O2 U A 4 1.357 6.555 9.489 1.00 0.00 O ATOM 115 N3 U A 4 1.876 4.332 9.607 1.00 0.00 N ATOM 116 C4 U A 4 2.760 3.278 9.773 1.00 0.00 C ATOM 117 O4 U A 4 2.361 2.117 9.738 1.00 0.00 O ATOM 118 C5 U A 4 4.137 3.685 9.970 1.00 0.00 C ATOM 119 C6 U A 4 4.481 4.994 9.998 1.00 0.00 C ATOM 0 H5' U A 4 7.906 8.064 10.161 1.00 0.00 H new ATOM 0 H5'' U A 4 7.725 8.442 11.863 1.00 0.00 H new ATOM 0 H4' U A 4 5.890 9.347 10.655 1.00 0.00 H new ATOM 0 H3' U A 4 5.143 6.962 12.430 1.00 0.00 H new ATOM 0 H2' U A 4 2.793 7.508 11.804 1.00 0.00 H new ATOM 0 HO2' U A 4 2.305 9.418 10.797 1.00 0.00 H new ATOM 0 H1' U A 4 3.334 7.925 9.105 1.00 0.00 H new ATOM 0 H3 U A 4 0.896 4.097 9.447 1.00 0.00 H new ATOM 0 H5 U A 4 4.901 2.932 10.096 1.00 0.00 H new ATOM 0 H6 U A 4 5.516 5.266 10.142 1.00 0.00 H new ATOM 130 P G A 5 4.299 8.579 14.425 1.00 0.00 P ATOM 131 OP1 G A 5 4.710 9.636 15.375 1.00 0.00 O ATOM 132 OP2 G A 5 4.486 7.156 14.784 1.00 0.00 O ATOM 133 O5' G A 5 2.745 8.806 14.066 1.00 0.00 O ATOM 134 C5' G A 5 2.224 10.107 13.878 1.00 0.00 C ATOM 135 C4' G A 5 0.735 10.009 13.538 1.00 0.00 C ATOM 136 O4' G A 5 0.523 9.241 12.359 1.00 0.00 O ATOM 137 C3' G A 5 -0.041 9.283 14.617 1.00 0.00 C ATOM 138 O3' G A 5 -0.321 10.115 15.732 1.00 0.00 O ATOM 139 C2' G A 5 -1.293 8.917 13.859 1.00 0.00 C ATOM 140 O2' G A 5 -2.190 10.009 13.856 1.00 0.00 O ATOM 141 C1' G A 5 -0.794 8.681 12.440 1.00 0.00 C ATOM 142 N9 G A 5 -0.767 7.232 12.170 1.00 0.00 N ATOM 143 C8 G A 5 0.280 6.360 12.265 1.00 0.00 C ATOM 144 N7 G A 5 -0.030 5.123 11.981 1.00 0.00 N ATOM 145 C5 G A 5 -1.389 5.180 11.683 1.00 0.00 C ATOM 146 C6 G A 5 -2.296 4.143 11.308 1.00 0.00 C ATOM 147 O6 G A 5 -2.072 2.945 11.142 1.00 0.00 O ATOM 148 N1 G A 5 -3.579 4.633 11.127 1.00 0.00 N ATOM 149 C2 G A 5 -3.957 5.947 11.271 1.00 0.00 C ATOM 150 N2 G A 5 -5.245 6.227 11.045 1.00 0.00 N ATOM 151 N3 G A 5 -3.113 6.925 11.613 1.00 0.00 N ATOM 152 C4 G A 5 -1.849 6.470 11.805 1.00 0.00 C ATOM 0 H5' G A 5 2.760 10.614 13.075 1.00 0.00 H new ATOM 0 H5'' G A 5 2.365 10.702 14.780 1.00 0.00 H new ATOM 0 H4' G A 5 0.399 11.040 13.424 1.00 0.00 H new ATOM 0 H3' G A 5 0.488 8.438 15.058 1.00 0.00 H new ATOM 0 H2' G A 5 -1.813 8.061 14.289 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.845 10.717 14.439 1.00 0.00 H new ATOM 0 H1' G A 5 -1.445 9.148 11.701 1.00 0.00 H new ATOM 0 H8 G A 5 1.276 6.666 12.550 1.00 0.00 H new ATOM 0 H1 G A 5 -4.303 3.964 10.865 1.00 0.00 H new ATOM 0 H21 G A 5 -5.582 7.185 11.137 1.00 0.00 H new ATOM 0 H22 G A 5 -5.890 5.482 10.781 1.00 0.00 H new ATOM 164 P U A 6 -0.843 9.486 17.131 1.00 0.00 P ATOM 165 OP1 U A 6 -0.978 10.590 18.106 1.00 0.00 O ATOM 166 OP2 U A 6 0.021 8.328 17.453 1.00 0.00 O ATOM 167 O5' U A 6 -2.323 8.924 16.805 1.00 0.00 O ATOM 168 C5' U A 6 -3.449 9.781 16.786 1.00 0.00 C ATOM 169 C4' U A 6 -4.726 8.959 16.545 1.00 0.00 C ATOM 170 O4' U A 6 -4.716 8.325 15.259 1.00 0.00 O ATOM 171 C3' U A 6 -4.890 7.824 17.542 1.00 0.00 C ATOM 172 O3' U A 6 -5.384 8.239 18.799 1.00 0.00 O ATOM 173 C2' U A 6 -5.903 6.987 16.809 1.00 0.00 C ATOM 174 O2' U A 6 -7.170 7.608 16.872 1.00 0.00 O ATOM 175 C1' U A 6 -5.403 7.063 15.380 1.00 0.00 C ATOM 176 N1 U A 6 -4.472 5.945 15.087 1.00 0.00 N ATOM 177 C2 U A 6 -5.008 4.784 14.549 1.00 0.00 C ATOM 178 O2 U A 6 -6.216 4.638 14.373 1.00 0.00 O ATOM 179 N3 U A 6 -4.104 3.789 14.219 1.00 0.00 N ATOM 180 C4 U A 6 -2.730 3.852 14.375 1.00 0.00 C ATOM 181 O4 U A 6 -2.022 2.899 14.063 1.00 0.00 O ATOM 182 C5 U A 6 -2.257 5.104 14.922 1.00 0.00 C ATOM 183 C6 U A 6 -3.123 6.084 15.261 1.00 0.00 C ATOM 0 H5' U A 6 -3.334 10.530 16.002 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.524 10.318 17.731 1.00 0.00 H new ATOM 0 H4' U A 6 -5.534 9.684 16.638 1.00 0.00 H new ATOM 0 H3' U A 6 -3.954 7.329 17.801 1.00 0.00 H new ATOM 0 H2' U A 6 -6.005 5.977 17.206 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.163 8.296 17.570 1.00 0.00 H new ATOM 0 H1' U A 6 -6.230 6.986 14.674 1.00 0.00 H new ATOM 0 H3 U A 6 -4.486 2.929 13.824 1.00 0.00 H new ATOM 0 H5 U A 6 -1.197 5.258 15.061 1.00 0.00 H new ATOM 0 H6 U A 6 -2.739 7.002 15.681 1.00 0.00 H new ATOM 194 P C A 7 -5.353 7.232 20.066 1.00 0.00 P ATOM 195 OP1 C A 7 -6.046 7.892 21.195 1.00 0.00 O ATOM 196 OP2 C A 7 -3.960 6.764 20.236 1.00 0.00 O ATOM 197 O5' C A 7 -6.248 5.966 19.596 1.00 0.00 O ATOM 198 C5' C A 7 -7.660 6.035 19.581 1.00 0.00 C ATOM 199 C4' C A 7 -8.248 4.684 19.146 1.00 0.00 C ATOM 200 O4' C A 7 -7.826 4.300 17.832 1.00 0.00 O ATOM 201 C3' C A 7 -7.800 3.548 20.039 1.00 0.00 C ATOM 202 O3' C A 7 -8.470 3.545 21.288 1.00 0.00 O ATOM 203 C2' C A 7 -8.195 2.374 19.176 1.00 0.00 C ATOM 204 O2' C A 7 -9.595 2.208 19.228 1.00 0.00 O ATOM 205 C1' C A 7 -7.820 2.856 17.774 1.00 0.00 C ATOM 206 N1 C A 7 -6.475 2.340 17.393 1.00 0.00 N ATOM 207 C2 C A 7 -6.384 0.998 17.029 1.00 0.00 C ATOM 208 O2 C A 7 -7.385 0.286 17.024 1.00 0.00 O ATOM 209 N3 C A 7 -5.162 0.504 16.681 1.00 0.00 N ATOM 210 C4 C A 7 -4.075 1.288 16.693 1.00 0.00 C ATOM 211 N4 C A 7 -2.896 0.765 16.342 1.00 0.00 N ATOM 212 C5 C A 7 -4.153 2.668 17.060 1.00 0.00 C ATOM 213 C6 C A 7 -5.370 3.148 17.395 1.00 0.00 C ATOM 0 H5' C A 7 -7.987 6.820 18.899 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.030 6.300 20.572 1.00 0.00 H new ATOM 0 H4' C A 7 -9.326 4.839 19.195 1.00 0.00 H new ATOM 0 H3' C A 7 -6.749 3.577 20.325 1.00 0.00 H new ATOM 0 H2' C A 7 -7.728 1.435 19.473 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.951 2.679 20.010 1.00 0.00 H new ATOM 0 H1' C A 7 -8.521 2.494 17.022 1.00 0.00 H new ATOM 0 H41 C A 7 -2.058 1.347 16.345 1.00 0.00 H new ATOM 0 H42 C A 7 -2.834 -0.216 16.071 1.00 0.00 H new ATOM 0 H5 C A 7 -3.277 3.299 17.069 1.00 0.00 H new ATOM 0 H6 C A 7 -5.473 4.187 17.669 1.00 0.00 H new ATOM 225 P C A 8 -7.922 2.652 22.519 1.00 0.00 P ATOM 226 OP1 C A 8 -8.796 2.894 23.688 1.00 0.00 O ATOM 227 OP2 C A 8 -6.465 2.882 22.633 1.00 0.00 O ATOM 228 O5' C A 8 -8.148 1.132 22.034 1.00 0.00 O ATOM 229 C5' C A 8 -9.411 0.508 22.147 1.00 0.00 C ATOM 230 C4' C A 8 -9.301 -0.938 21.659 1.00 0.00 C ATOM 231 O4' C A 8 -8.876 -1.002 20.305 1.00 0.00 O ATOM 232 C3' C A 8 -8.250 -1.716 22.417 1.00 0.00 C ATOM 233 O3' C A 8 -8.679 -2.112 23.700 1.00 0.00 O ATOM 234 C2' C A 8 -8.056 -2.890 21.510 1.00 0.00 C ATOM 235 O2' C A 8 -9.113 -3.810 21.687 1.00 0.00 O ATOM 236 C1' C A 8 -8.164 -2.239 20.136 1.00 0.00 C ATOM 237 N1 C A 8 -6.795 -1.994 19.628 1.00 0.00 N ATOM 238 C2 C A 8 -6.150 -3.049 18.992 1.00 0.00 C ATOM 239 O2 C A 8 -6.745 -4.103 18.782 1.00 0.00 O ATOM 240 N3 C A 8 -4.850 -2.882 18.620 1.00 0.00 N ATOM 241 C4 C A 8 -4.207 -1.733 18.870 1.00 0.00 C ATOM 242 N4 C A 8 -2.931 -1.610 18.490 1.00 0.00 N ATOM 243 C5 C A 8 -4.857 -0.646 19.541 1.00 0.00 C ATOM 244 C6 C A 8 -6.144 -0.824 19.894 1.00 0.00 C ATOM 0 H5' C A 8 -10.151 1.048 21.557 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.750 0.531 23.183 1.00 0.00 H new ATOM 0 H4' C A 8 -10.298 -1.354 21.802 1.00 0.00 H new ATOM 0 H3' C A 8 -7.346 -1.143 22.622 1.00 0.00 H new ATOM 0 H2' C A 8 -7.128 -3.438 21.676 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.425 -3.775 22.615 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.963 -2.612 24.145 1.00 0.00 H new ATOM 0 H1' C A 8 -8.692 -2.871 19.422 1.00 0.00 H new ATOM 0 H41 C A 8 -2.426 -0.743 18.672 1.00 0.00 H new ATOM 0 H42 C A 8 -2.463 -2.384 18.018 1.00 0.00 H new ATOM 0 H5 C A 8 -4.337 0.276 19.754 1.00 0.00 H new ATOM 0 H6 C A 8 -6.671 -0.027 20.397 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 1.922 -10.834 15.153 1.00 0.00 O ATOM 259 C5' G B 9 1.123 -11.978 15.369 1.00 0.00 C ATOM 260 C4' G B 9 -0.333 -11.569 15.614 1.00 0.00 C ATOM 261 O4' G B 9 -0.457 -10.754 16.771 1.00 0.00 O ATOM 262 C3' G B 9 -0.912 -10.734 14.491 1.00 0.00 C ATOM 263 O3' G B 9 -1.248 -11.513 13.358 1.00 0.00 O ATOM 264 C2' G B 9 -2.132 -10.166 15.177 1.00 0.00 C ATOM 265 O2' G B 9 -3.155 -11.140 15.204 1.00 0.00 O ATOM 266 C1' G B 9 -1.627 -9.939 16.606 1.00 0.00 C ATOM 267 N9 G B 9 -1.277 -8.517 16.804 1.00 0.00 N ATOM 268 C8 G B 9 -0.052 -7.907 16.711 1.00 0.00 C ATOM 269 N7 G B 9 -0.075 -6.628 16.963 1.00 0.00 N ATOM 270 C5 G B 9 -1.413 -6.366 17.242 1.00 0.00 C ATOM 271 C6 G B 9 -2.054 -5.140 17.591 1.00 0.00 C ATOM 272 O6 G B 9 -1.551 -4.027 17.724 1.00 0.00 O ATOM 273 N1 G B 9 -3.420 -5.315 17.790 1.00 0.00 N ATOM 274 C2 G B 9 -4.090 -6.513 17.665 1.00 0.00 C ATOM 275 N2 G B 9 -5.408 -6.491 17.882 1.00 0.00 N ATOM 276 N3 G B 9 -3.492 -7.664 17.340 1.00 0.00 N ATOM 277 C4 G B 9 -2.157 -7.517 17.143 1.00 0.00 C ATOM 0 H5' G B 9 1.500 -12.537 16.225 1.00 0.00 H new ATOM 0 H5'' G B 9 1.182 -12.640 14.505 1.00 0.00 H new ATOM 0 H4' G B 9 -0.864 -12.516 15.710 1.00 0.00 H new ATOM 0 H3' G B 9 -0.230 -9.987 14.084 1.00 0.00 H new ATOM 0 H2' G B 9 -2.533 -9.275 14.694 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.561 -11.213 14.315 1.00 0.00 H new ATOM 0 HO5' G B 9 2.850 -11.108 14.999 1.00 0.00 H new ATOM 0 H1' G B 9 -2.396 -10.201 17.333 1.00 0.00 H new ATOM 0 H8 G B 9 0.851 -8.439 16.452 1.00 0.00 H new ATOM 0 H1 G B 9 -3.967 -4.494 18.048 1.00 0.00 H new ATOM 0 H21 G B 9 -5.952 -7.350 17.803 1.00 0.00 H new ATOM 0 H22 G B 9 -5.870 -5.615 18.127 1.00 0.00 H new ATOM 290 P G B 10 -1.742 -10.810 11.996 1.00 0.00 P ATOM 291 OP1 G B 10 -1.983 -11.864 10.987 1.00 0.00 O ATOM 292 OP2 G B 10 -0.814 -9.697 11.695 1.00 0.00 O ATOM 293 O5' G B 10 -3.163 -10.185 12.423 1.00 0.00 O ATOM 294 C5' G B 10 -3.654 -9.020 11.797 1.00 0.00 C ATOM 295 C4' G B 10 -4.961 -8.595 12.464 1.00 0.00 C ATOM 296 O4' G B 10 -4.757 -8.316 13.854 1.00 0.00 O ATOM 297 C3' G B 10 -5.491 -7.308 11.860 1.00 0.00 C ATOM 298 O3' G B 10 -6.216 -7.530 10.664 1.00 0.00 O ATOM 299 C2' G B 10 -6.368 -6.819 12.987 1.00 0.00 C ATOM 300 O2' G B 10 -7.546 -7.594 13.061 1.00 0.00 O ATOM 301 C1' G B 10 -5.489 -7.132 14.193 1.00 0.00 C ATOM 302 N9 G B 10 -4.533 -6.023 14.412 1.00 0.00 N ATOM 303 C8 G B 10 -3.177 -6.009 14.208 1.00 0.00 C ATOM 304 N7 G B 10 -2.612 -4.865 14.473 1.00 0.00 N ATOM 305 C5 G B 10 -3.666 -4.060 14.890 1.00 0.00 C ATOM 306 C6 G B 10 -3.662 -2.700 15.316 1.00 0.00 C ATOM 307 O6 G B 10 -2.708 -1.931 15.394 1.00 0.00 O ATOM 308 N1 G B 10 -4.935 -2.270 15.671 1.00 0.00 N ATOM 309 C2 G B 10 -6.073 -3.047 15.626 1.00 0.00 C ATOM 310 N2 G B 10 -7.213 -2.463 16.011 1.00 0.00 N ATOM 311 N3 G B 10 -6.083 -4.323 15.221 1.00 0.00 N ATOM 312 C4 G B 10 -4.847 -4.763 14.868 1.00 0.00 C ATOM 0 H5' G B 10 -3.819 -9.207 10.736 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.919 -8.218 11.869 1.00 0.00 H new ATOM 0 H4' G B 10 -5.660 -9.419 12.318 1.00 0.00 H new ATOM 0 H3' G B 10 -4.721 -6.602 11.549 1.00 0.00 H new ATOM 0 H2' G B 10 -6.680 -5.779 12.894 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.665 -8.089 12.223 1.00 0.00 H new ATOM 0 H1' G B 10 -6.085 -7.263 15.096 1.00 0.00 H new ATOM 0 H8 G B 10 -2.626 -6.870 13.859 1.00 0.00 H new ATOM 0 H1 G B 10 -5.035 -1.306 15.989 1.00 0.00 H new ATOM 0 H21 G B 10 -8.086 -2.990 15.998 1.00 0.00 H new ATOM 0 H22 G B 10 -7.209 -1.490 16.318 1.00 0.00 H new ATOM 324 P A B 11 -6.457 -6.331 9.601 1.00 0.00 P ATOM 325 OP1 A B 11 -7.264 -6.868 8.482 1.00 0.00 O ATOM 326 OP2 A B 11 -5.148 -5.702 9.323 1.00 0.00 O ATOM 327 O5' A B 11 -7.361 -5.265 10.402 1.00 0.00 O ATOM 328 C5' A B 11 -8.706 -5.547 10.717 1.00 0.00 C ATOM 329 C4' A B 11 -9.311 -4.372 11.488 1.00 0.00 C ATOM 330 O4' A B 11 -8.561 -4.093 12.673 1.00 0.00 O ATOM 331 C3' A B 11 -9.320 -3.074 10.703 1.00 0.00 C ATOM 332 O3' A B 11 -10.411 -2.994 9.809 1.00 0.00 O ATOM 333 C2' A B 11 -9.440 -2.059 11.804 1.00 0.00 C ATOM 334 O2' A B 11 -10.772 -2.009 12.273 1.00 0.00 O ATOM 335 C1' A B 11 -8.550 -2.669 12.879 1.00 0.00 C ATOM 336 N9 A B 11 -7.168 -2.149 12.743 1.00 0.00 N ATOM 337 C8 A B 11 -6.028 -2.805 12.345 1.00 0.00 C ATOM 338 N7 A B 11 -4.951 -2.072 12.391 1.00 0.00 N ATOM 339 C5 A B 11 -5.408 -0.838 12.836 1.00 0.00 C ATOM 340 C6 A B 11 -4.756 0.382 13.092 1.00 0.00 C ATOM 341 N6 A B 11 -3.438 0.557 12.940 1.00 0.00 N ATOM 342 N1 A B 11 -5.512 1.419 13.500 1.00 0.00 N ATOM 343 C2 A B 11 -6.821 1.244 13.652 1.00 0.00 C ATOM 344 N3 A B 11 -7.545 0.150 13.458 1.00 0.00 N ATOM 345 C4 A B 11 -6.760 -0.871 13.041 1.00 0.00 C ATOM 0 H5' A B 11 -8.767 -6.457 11.314 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.274 -5.727 9.804 1.00 0.00 H new ATOM 0 H4' A B 11 -10.332 -4.688 11.703 1.00 0.00 H new ATOM 0 H3' A B 11 -8.446 -2.946 10.065 1.00 0.00 H new ATOM 0 H2' A B 11 -9.169 -1.046 11.507 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.376 -2.345 11.578 1.00 0.00 H new ATOM 0 H1' A B 11 -8.910 -2.416 13.876 1.00 0.00 H new ATOM 0 H8 A B 11 -6.025 -3.836 12.023 1.00 0.00 H new ATOM 0 H61 A B 11 -3.018 1.464 13.140 1.00 0.00 H new ATOM 0 H62 A B 11 -2.854 -0.217 12.624 1.00 0.00 H new ATOM 0 H2 A B 11 -7.371 2.114 13.979 1.00 0.00 H new ATOM 357 P U B 12 -10.173 -2.705 8.249 1.00 0.00 P ATOM 358 OP1 U B 12 -11.463 -2.849 7.539 1.00 0.00 O ATOM 359 OP2 U B 12 -8.990 -3.472 7.803 1.00 0.00 O ATOM 360 O5' U B 12 -9.788 -1.144 8.295 1.00 0.00 O ATOM 361 C5' U B 12 -10.766 -0.178 8.625 1.00 0.00 C ATOM 362 C4' U B 12 -10.100 1.174 8.883 1.00 0.00 C ATOM 363 O4' U B 12 -9.225 1.104 10.007 1.00 0.00 O ATOM 364 C3' U B 12 -9.235 1.637 7.731 1.00 0.00 C ATOM 365 O3' U B 12 -10.002 2.179 6.671 1.00 0.00 O ATOM 366 C2' U B 12 -8.401 2.683 8.430 1.00 0.00 C ATOM 367 O2' U B 12 -9.165 3.855 8.611 1.00 0.00 O ATOM 368 C1' U B 12 -8.163 2.045 9.800 1.00 0.00 C ATOM 369 N1 U B 12 -6.851 1.354 9.823 1.00 0.00 N ATOM 370 C2 U B 12 -5.730 2.142 10.032 1.00 0.00 C ATOM 371 O2 U B 12 -5.814 3.357 10.194 1.00 0.00 O ATOM 372 N3 U B 12 -4.509 1.486 10.050 1.00 0.00 N ATOM 373 C4 U B 12 -4.318 0.125 9.871 1.00 0.00 C ATOM 374 O4 U B 12 -3.187 -0.355 9.894 1.00 0.00 O ATOM 375 C5 U B 12 -5.543 -0.624 9.675 1.00 0.00 C ATOM 376 C6 U B 12 -6.746 -0.004 9.659 1.00 0.00 C ATOM 0 H5' U B 12 -11.318 -0.495 9.510 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.488 -0.088 7.814 1.00 0.00 H new ATOM 0 H4' U B 12 -10.927 1.866 9.040 1.00 0.00 H new ATOM 0 H3' U B 12 -8.661 0.849 7.244 1.00 0.00 H new ATOM 0 H2' U B 12 -7.494 2.953 7.888 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.583 4.581 8.917 1.00 0.00 H new ATOM 0 H1' U B 12 -8.151 2.799 10.587 1.00 0.00 H new ATOM 0 H3 U B 12 -3.678 2.055 10.209 1.00 0.00 H new ATOM 0 H5 U B 12 -5.495 -1.694 9.539 1.00 0.00 H new ATOM 0 H6 U B 12 -7.641 -0.590 9.514 1.00 0.00 H new ATOM 387 P G B 13 -9.309 2.579 5.270 1.00 0.00 P ATOM 388 OP1 G B 13 -10.375 2.990 4.329 1.00 0.00 O ATOM 389 OP2 G B 13 -8.376 1.493 4.895 1.00 0.00 O ATOM 390 O5' G B 13 -8.438 3.883 5.640 1.00 0.00 O ATOM 391 C5' G B 13 -9.057 5.138 5.846 1.00 0.00 C ATOM 392 C4' G B 13 -7.988 6.176 6.192 1.00 0.00 C ATOM 393 O4' G B 13 -7.268 5.807 7.363 1.00 0.00 O ATOM 394 C3' G B 13 -6.935 6.282 5.109 1.00 0.00 C ATOM 395 O3' G B 13 -7.374 7.058 4.005 1.00 0.00 O ATOM 396 C2' G B 13 -5.823 6.960 5.868 1.00 0.00 C ATOM 397 O2' G B 13 -6.037 8.356 5.890 1.00 0.00 O ATOM 398 C1' G B 13 -5.973 6.414 7.282 1.00 0.00 C ATOM 399 N9 G B 13 -4.910 5.423 7.533 1.00 0.00 N ATOM 400 C8 G B 13 -4.961 4.062 7.424 1.00 0.00 C ATOM 401 N7 G B 13 -3.832 3.464 7.692 1.00 0.00 N ATOM 402 C5 G B 13 -2.964 4.510 7.994 1.00 0.00 C ATOM 403 C6 G B 13 -1.583 4.488 8.357 1.00 0.00 C ATOM 404 O6 G B 13 -0.840 3.519 8.507 1.00 0.00 O ATOM 405 N1 G B 13 -1.089 5.768 8.548 1.00 0.00 N ATOM 406 C2 G B 13 -1.816 6.929 8.423 1.00 0.00 C ATOM 407 N2 G B 13 -1.161 8.071 8.655 1.00 0.00 N ATOM 408 N3 G B 13 -3.110 6.957 8.091 1.00 0.00 N ATOM 409 C4 G B 13 -3.618 5.715 7.891 1.00 0.00 C ATOM 0 H5' G B 13 -9.788 5.069 6.652 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.599 5.441 4.950 1.00 0.00 H new ATOM 0 H4' G B 13 -8.530 7.113 6.320 1.00 0.00 H new ATOM 0 H3' G B 13 -6.660 5.329 4.656 1.00 0.00 H new ATOM 0 H2' G B 13 -4.841 6.781 5.430 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.798 8.579 5.314 1.00 0.00 H new ATOM 0 H1' G B 13 -5.883 7.201 8.031 1.00 0.00 H new ATOM 0 H8 G B 13 -5.856 3.528 7.141 1.00 0.00 H new ATOM 0 H1 G B 13 -0.105 5.857 8.802 1.00 0.00 H new ATOM 0 H21 G B 13 -1.649 8.963 8.577 1.00 0.00 H new ATOM 0 H22 G B 13 -0.174 8.050 8.910 1.00 0.00 H new ATOM 421 P U B 14 -6.566 7.042 2.601 1.00 0.00 P ATOM 422 OP1 U B 14 -7.305 7.891 1.640 1.00 0.00 O ATOM 423 OP2 U B 14 -6.282 5.631 2.262 1.00 0.00 O ATOM 424 O5' U B 14 -5.158 7.767 2.927 1.00 0.00 O ATOM 425 C5' U B 14 -5.048 9.177 2.967 1.00 0.00 C ATOM 426 C4' U B 14 -3.581 9.580 3.197 1.00 0.00 C ATOM 427 O4' U B 14 -3.097 9.133 4.471 1.00 0.00 O ATOM 428 C3' U B 14 -2.637 8.963 2.177 1.00 0.00 C ATOM 429 O3' U B 14 -2.625 9.641 0.937 1.00 0.00 O ATOM 430 C2' U B 14 -1.326 9.129 2.898 1.00 0.00 C ATOM 431 O2' U B 14 -0.916 10.481 2.849 1.00 0.00 O ATOM 432 C1' U B 14 -1.702 8.793 4.327 1.00 0.00 C ATOM 433 N1 U B 14 -1.497 7.349 4.603 1.00 0.00 N ATOM 434 C2 U B 14 -0.272 6.962 5.129 1.00 0.00 C ATOM 435 O2 U B 14 0.648 7.757 5.308 1.00 0.00 O ATOM 436 N3 U B 14 -0.139 5.621 5.444 1.00 0.00 N ATOM 437 C4 U B 14 -1.109 4.646 5.285 1.00 0.00 C ATOM 438 O4 U B 14 -0.875 3.478 5.583 1.00 0.00 O ATOM 439 C5 U B 14 -2.359 5.141 4.753 1.00 0.00 C ATOM 440 C6 U B 14 -2.507 6.444 4.428 1.00 0.00 C ATOM 0 H5' U B 14 -5.674 9.577 3.765 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.410 9.606 2.033 1.00 0.00 H new ATOM 0 H4' U B 14 -3.586 10.667 3.122 1.00 0.00 H new ATOM 0 H3' U B 14 -2.902 7.943 1.898 1.00 0.00 H new ATOM 0 H2' U B 14 -0.521 8.523 2.481 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.446 10.959 2.178 1.00 0.00 H new ATOM 0 H1' U B 14 -1.080 9.345 5.031 1.00 0.00 H new ATOM 0 H3 U B 14 0.757 5.323 5.829 1.00 0.00 H new ATOM 0 H5 U B 14 -3.186 4.460 4.614 1.00 0.00 H new ATOM 0 H6 U B 14 -3.448 6.780 4.019 1.00 0.00 H new ATOM 451 P C B 15 -1.919 8.971 -0.356 1.00 0.00 P ATOM 452 OP1 C B 15 -1.954 9.957 -1.460 1.00 0.00 O ATOM 453 OP2 C B 15 -2.515 7.632 -0.552 1.00 0.00 O ATOM 454 O5' C B 15 -0.375 8.767 0.088 1.00 0.00 O ATOM 455 C5' C B 15 0.531 9.853 0.107 1.00 0.00 C ATOM 456 C4' C B 15 1.932 9.363 0.502 1.00 0.00 C ATOM 457 O4' C B 15 1.959 8.778 1.809 1.00 0.00 O ATOM 458 C3' C B 15 2.436 8.272 -0.415 1.00 0.00 C ATOM 459 O3' C B 15 2.861 8.773 -1.669 1.00 0.00 O ATOM 460 C2' C B 15 3.585 7.742 0.412 1.00 0.00 C ATOM 461 O2' C B 15 4.680 8.629 0.326 1.00 0.00 O ATOM 462 C1' C B 15 3.022 7.800 1.835 1.00 0.00 C ATOM 463 N1 C B 15 2.511 6.460 2.237 1.00 0.00 N ATOM 464 C2 C B 15 3.452 5.497 2.593 1.00 0.00 C ATOM 465 O2 C B 15 4.652 5.765 2.579 1.00 0.00 O ATOM 466 N3 C B 15 3.007 4.260 2.954 1.00 0.00 N ATOM 467 C4 C B 15 1.697 3.975 2.961 1.00 0.00 C ATOM 468 N4 C B 15 1.302 2.752 3.324 1.00 0.00 N ATOM 469 C5 C B 15 0.719 4.955 2.599 1.00 0.00 C ATOM 470 C6 C B 15 1.172 6.178 2.253 1.00 0.00 C ATOM 0 H5' C B 15 0.189 10.610 0.813 1.00 0.00 H new ATOM 0 H5'' C B 15 0.566 10.325 -0.875 1.00 0.00 H new ATOM 0 H4' C B 15 2.550 10.259 0.448 1.00 0.00 H new ATOM 0 H3' C B 15 1.689 7.527 -0.690 1.00 0.00 H new ATOM 0 H2' C B 15 3.927 6.755 0.100 1.00 0.00 H new ATOM 0 HO2' C B 15 5.423 8.284 0.864 1.00 0.00 H new ATOM 0 H1' C B 15 3.785 8.080 2.562 1.00 0.00 H new ATOM 0 H41 C B 15 0.309 2.519 3.335 1.00 0.00 H new ATOM 0 H42 C B 15 1.993 2.051 3.591 1.00 0.00 H new ATOM 0 H5 C B 15 -0.336 4.726 2.603 1.00 0.00 H new ATOM 0 H6 C B 15 0.465 6.949 1.984 1.00 0.00 H new ATOM 482 P C B 16 3.167 7.773 -2.898 1.00 0.00 P ATOM 483 OP1 C B 16 3.567 8.587 -4.067 1.00 0.00 O ATOM 484 OP2 C B 16 2.031 6.833 -3.013 1.00 0.00 O ATOM 485 O5' C B 16 4.453 6.937 -2.409 1.00 0.00 O ATOM 486 C5' C B 16 5.747 7.504 -2.437 1.00 0.00 C ATOM 487 C4' C B 16 6.762 6.462 -1.962 1.00 0.00 C ATOM 488 O4' C B 16 6.505 6.054 -0.625 1.00 0.00 O ATOM 489 C3' C B 16 6.680 5.184 -2.765 1.00 0.00 C ATOM 490 O3' C B 16 7.293 5.293 -4.031 1.00 0.00 O ATOM 491 C2' C B 16 7.403 4.224 -1.869 1.00 0.00 C ATOM 492 O2' C B 16 8.800 4.387 -2.008 1.00 0.00 O ATOM 493 C1' C B 16 6.964 4.699 -0.489 1.00 0.00 C ATOM 494 N1 C B 16 5.869 3.822 -0.014 1.00 0.00 N ATOM 495 C2 C B 16 6.223 2.646 0.638 1.00 0.00 C ATOM 496 O2 C B 16 7.404 2.397 0.873 1.00 0.00 O ATOM 497 N3 C B 16 5.232 1.785 1.000 1.00 0.00 N ATOM 498 C4 C B 16 3.949 2.060 0.728 1.00 0.00 C ATOM 499 N4 C B 16 3.007 1.188 1.102 1.00 0.00 N ATOM 500 C5 C B 16 3.575 3.260 0.040 1.00 0.00 C ATOM 501 C6 C B 16 4.566 4.104 -0.305 1.00 0.00 C ATOM 0 H5' C B 16 5.785 8.385 -1.796 1.00 0.00 H new ATOM 0 H5'' C B 16 5.991 7.833 -3.447 1.00 0.00 H new ATOM 0 H4' C B 16 7.731 6.949 -2.069 1.00 0.00 H new ATOM 0 H3' C B 16 5.660 4.887 -3.008 1.00 0.00 H new ATOM 0 H2' C B 16 7.189 3.175 -2.075 1.00 0.00 H new ATOM 0 HO2' C B 16 9.003 4.721 -2.907 1.00 0.00 H new ATOM 0 HO3' C B 16 7.213 4.440 -4.507 1.00 0.00 H new ATOM 0 H1' C B 16 7.781 4.658 0.231 1.00 0.00 H new ATOM 0 H41 C B 16 2.025 1.381 0.903 1.00 0.00 H new ATOM 0 H42 C B 16 3.270 0.330 1.586 1.00 0.00 H new ATOM 0 H5 C B 16 2.543 3.478 -0.192 1.00 0.00 H new ATOM 0 H6 C B 16 4.325 5.021 -0.822 1.00 0.00 H new TER 514 C B 16