USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 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 -28:sc= 0.0834 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -17:sc= -0.435 USER MOD Single : A 3 G O2' : rot -20:sc= 0.0951 USER MOD Single : A 4 A O2' : rot 180:sc= -1.43 USER MOD Single : A 5 G O2' : rot -24:sc= 0.0531 USER MOD Single : A 6 U O2' : rot -164:sc= -4.48! USER MOD Single : A 7 U O2' : rot 180:sc= -0.661 USER MOD Single : A 8 G O2' : rot 23:sc= 0.247 USER MOD Single : A 9 G O2' : rot 17:sc= 0.188 USER MOD Single : A 10 G O2' : rot 129:sc= -2.99! USER MOD Single : A 11 C O2' : rot -123:sc= 0.908 USER MOD Single : A 12 U O2' : rot -170:sc= -2.8! USER MOD Single : A 13 C O2' : rot -18:sc= 0.117 USER MOD Single : A 14 U O2' : rot -16:sc= 0.101 USER MOD Single : A 15 C O2' : rot -17:sc= 0.105 USER MOD Single : A 15 C O3' : rot 180:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.835 -11.399 -7.881 1.00 0.00 O ATOM 2 C5' G A 1 -4.431 -10.464 -6.876 1.00 0.00 C ATOM 3 C4' G A 1 -5.027 -10.829 -5.536 1.00 0.00 C ATOM 4 O4' G A 1 -4.011 -11.482 -4.732 1.00 0.00 O ATOM 5 C3' G A 1 -5.487 -9.656 -4.683 1.00 0.00 C ATOM 6 O3' G A 1 -6.812 -9.255 -5.018 1.00 0.00 O ATOM 7 C2' G A 1 -5.390 -10.216 -3.268 1.00 0.00 C ATOM 8 O2' G A 1 -6.501 -11.036 -2.965 1.00 0.00 O ATOM 9 C1' G A 1 -4.148 -11.097 -3.376 1.00 0.00 C ATOM 10 N9 G A 1 -2.911 -10.443 -2.961 1.00 0.00 N ATOM 11 C8 G A 1 -2.467 -9.190 -3.306 1.00 0.00 C ATOM 12 N7 G A 1 -1.287 -8.911 -2.820 1.00 0.00 N ATOM 13 C5 G A 1 -0.949 -10.035 -2.079 1.00 0.00 C ATOM 14 C6 G A 1 0.209 -10.318 -1.307 1.00 0.00 C ATOM 15 O6 G A 1 1.212 -9.616 -1.129 1.00 0.00 O ATOM 16 N1 G A 1 0.131 -11.570 -0.710 1.00 0.00 N ATOM 17 C2 G A 1 -0.918 -12.441 -0.845 1.00 0.00 C ATOM 18 N2 G A 1 -0.807 -13.595 -0.191 1.00 0.00 N ATOM 19 N3 G A 1 -1.996 -12.197 -1.564 1.00 0.00 N ATOM 20 C4 G A 1 -1.947 -10.984 -2.148 1.00 0.00 C ATOM 0 H5' G A 1 -4.747 -9.460 -7.159 1.00 0.00 H new ATOM 0 H5'' G A 1 -3.344 -10.448 -6.804 1.00 0.00 H new ATOM 0 H4' G A 1 -5.892 -11.443 -5.785 1.00 0.00 H new ATOM 0 H3' G A 1 -4.892 -8.753 -4.822 1.00 0.00 H new ATOM 0 H2' G A 1 -5.355 -9.443 -2.500 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.279 -10.737 -3.481 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.441 -11.145 -8.741 1.00 0.00 H new ATOM 0 H1' G A 1 -4.294 -11.941 -2.701 1.00 0.00 H new ATOM 0 H8 G A 1 -3.036 -8.505 -3.917 1.00 0.00 H new ATOM 0 H1 G A 1 0.915 -11.863 -0.127 1.00 0.00 H new ATOM 0 H21 G A 1 -1.553 -14.288 -0.249 1.00 0.00 H new ATOM 0 H22 G A 1 0.024 -13.786 0.368 1.00 0.00 H new ATOM 33 P A A 2 -7.305 -7.763 -4.677 1.00 0.00 P ATOM 34 OP1 A A 2 -8.714 -7.653 -5.129 1.00 0.00 O ATOM 35 OP2 A A 2 -6.293 -6.805 -5.196 1.00 0.00 O ATOM 36 O5' A A 2 -7.290 -7.707 -3.085 1.00 0.00 O ATOM 37 C5' A A 2 -6.143 -7.248 -2.377 1.00 0.00 C ATOM 38 C4' A A 2 -6.075 -7.907 -1.019 1.00 0.00 C ATOM 39 O4' A A 2 -4.958 -8.841 -0.994 1.00 0.00 O ATOM 40 C3' A A 2 -5.805 -6.952 0.132 1.00 0.00 C ATOM 41 O3' A A 2 -7.017 -6.394 0.635 1.00 0.00 O ATOM 42 C2' A A 2 -5.107 -7.846 1.146 1.00 0.00 C ATOM 43 O2' A A 2 -6.032 -8.678 1.820 1.00 0.00 O ATOM 44 C1' A A 2 -4.249 -8.705 0.226 1.00 0.00 C ATOM 45 N9 A A 2 -2.946 -8.110 -0.062 1.00 0.00 N ATOM 46 C8 A A 2 -2.647 -7.216 -1.055 1.00 0.00 C ATOM 47 N7 A A 2 -1.392 -6.842 -1.070 1.00 0.00 N ATOM 48 C5 A A 2 -0.823 -7.546 -0.018 1.00 0.00 C ATOM 49 C6 A A 2 0.485 -7.594 0.488 1.00 0.00 C ATOM 50 N6 A A 2 1.499 -6.892 -0.018 1.00 0.00 N ATOM 51 N1 A A 2 0.720 -8.400 1.547 1.00 0.00 N ATOM 52 C2 A A 2 -0.300 -9.103 2.056 1.00 0.00 C ATOM 53 N3 A A 2 -1.573 -9.139 1.668 1.00 0.00 N ATOM 54 C4 A A 2 -1.770 -8.331 0.613 1.00 0.00 C ATOM 0 H5' A A 2 -6.185 -6.165 -2.263 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.241 -7.473 -2.945 1.00 0.00 H new ATOM 0 H4' A A 2 -7.054 -8.367 -0.884 1.00 0.00 H new ATOM 0 H3' A A 2 -5.206 -6.084 -0.144 1.00 0.00 H new ATOM 0 H2' A A 2 -4.572 -7.296 1.920 1.00 0.00 H new ATOM 0 HO2' A A 2 -6.938 -8.322 1.703 1.00 0.00 H new ATOM 0 H1' A A 2 -4.062 -9.658 0.720 1.00 0.00 H new ATOM 0 H8 A A 2 -3.379 -6.853 -1.761 1.00 0.00 H new ATOM 0 H61 A A 2 2.429 -6.969 0.394 1.00 0.00 H new ATOM 0 H62 A A 2 1.345 -6.278 -0.817 1.00 0.00 H new ATOM 0 H2 A A 2 -0.055 -9.729 2.901 1.00 0.00 H new ATOM 66 P G A 3 -7.087 -4.834 1.023 1.00 0.00 P ATOM 67 OP1 G A 3 -8.416 -4.338 0.586 1.00 0.00 O ATOM 68 OP2 G A 3 -5.857 -4.157 0.538 1.00 0.00 O ATOM 69 O5' G A 3 -7.067 -4.830 2.618 1.00 0.00 O ATOM 70 C5' G A 3 -6.702 -5.995 3.359 1.00 0.00 C ATOM 71 C4' G A 3 -5.890 -5.608 4.574 1.00 0.00 C ATOM 72 O4' G A 3 -4.581 -6.241 4.488 1.00 0.00 O ATOM 73 C3' G A 3 -5.601 -4.119 4.707 1.00 0.00 C ATOM 74 O3' G A 3 -6.639 -3.456 5.425 1.00 0.00 O ATOM 75 C2' G A 3 -4.269 -4.098 5.445 1.00 0.00 C ATOM 76 O2' G A 3 -4.445 -4.330 6.829 1.00 0.00 O ATOM 77 C1' G A 3 -3.572 -5.308 4.830 1.00 0.00 C ATOM 78 N9 G A 3 -2.801 -5.010 3.628 1.00 0.00 N ATOM 79 C8 G A 3 -3.298 -4.726 2.383 1.00 0.00 C ATOM 80 N7 G A 3 -2.369 -4.524 1.489 1.00 0.00 N ATOM 81 C5 G A 3 -1.180 -4.674 2.192 1.00 0.00 C ATOM 82 C6 G A 3 0.168 -4.569 1.758 1.00 0.00 C ATOM 83 O6 G A 3 0.595 -4.313 0.626 1.00 0.00 O ATOM 84 N1 G A 3 1.061 -4.794 2.800 1.00 0.00 N ATOM 85 C2 G A 3 0.705 -5.082 4.093 1.00 0.00 C ATOM 86 N2 G A 3 1.711 -5.267 4.956 1.00 0.00 N ATOM 87 N3 G A 3 -0.546 -5.182 4.513 1.00 0.00 N ATOM 88 C4 G A 3 -1.430 -4.969 3.516 1.00 0.00 C ATOM 0 H5' G A 3 -6.125 -6.671 2.727 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.598 -6.534 3.668 1.00 0.00 H new ATOM 0 H4' G A 3 -6.495 -5.923 5.424 1.00 0.00 H new ATOM 0 H3' G A 3 -5.555 -3.591 3.754 1.00 0.00 H new ATOM 0 H2' G A 3 -3.739 -3.150 5.356 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.375 -4.145 7.076 1.00 0.00 H new ATOM 0 H1' G A 3 -2.861 -5.684 5.565 1.00 0.00 H new ATOM 0 H8 G A 3 -4.354 -4.674 2.163 1.00 0.00 H new ATOM 0 H1 G A 3 2.057 -4.741 2.586 1.00 0.00 H new ATOM 0 H21 G A 3 1.512 -5.484 5.933 1.00 0.00 H new ATOM 0 H22 G A 3 2.677 -5.191 4.637 1.00 0.00 H new ATOM 100 P A A 4 -7.137 -2.001 4.951 1.00 0.00 P ATOM 101 OP1 A A 4 -8.273 -1.599 5.818 1.00 0.00 O ATOM 102 OP2 A A 4 -7.318 -2.041 3.477 1.00 0.00 O ATOM 103 O5' A A 4 -5.897 -1.055 5.279 1.00 0.00 O ATOM 104 C5' A A 4 -4.776 -0.978 4.400 1.00 0.00 C ATOM 105 C4' A A 4 -3.495 -0.963 5.200 1.00 0.00 C ATOM 106 O4' A A 4 -2.604 -1.984 4.676 1.00 0.00 O ATOM 107 C3' A A 4 -2.694 0.332 5.145 1.00 0.00 C ATOM 108 O3' A A 4 -3.132 1.243 6.151 1.00 0.00 O ATOM 109 C2' A A 4 -1.263 -0.150 5.370 1.00 0.00 C ATOM 110 O2' A A 4 -1.013 -0.383 6.743 1.00 0.00 O ATOM 111 C1' A A 4 -1.275 -1.497 4.647 1.00 0.00 C ATOM 112 N9 A A 4 -0.853 -1.444 3.249 1.00 0.00 N ATOM 113 C8 A A 4 -1.670 -1.539 2.154 1.00 0.00 C ATOM 114 N7 A A 4 -1.035 -1.479 1.010 1.00 0.00 N ATOM 115 C5 A A 4 0.295 -1.335 1.377 1.00 0.00 C ATOM 116 C6 A A 4 1.473 -1.222 0.621 1.00 0.00 C ATOM 117 N6 A A 4 1.495 -1.239 -0.712 1.00 0.00 N ATOM 118 N1 A A 4 2.639 -1.093 1.290 1.00 0.00 N ATOM 119 C2 A A 4 2.608 -1.077 2.631 1.00 0.00 C ATOM 120 N3 A A 4 1.563 -1.179 3.452 1.00 0.00 N ATOM 121 C4 A A 4 0.423 -1.307 2.753 1.00 0.00 C ATOM 0 H5' A A 4 -4.844 -0.078 3.789 1.00 0.00 H new ATOM 0 H5'' A A 4 -4.779 -1.828 3.718 1.00 0.00 H new ATOM 0 H4' A A 4 -3.818 -1.116 6.230 1.00 0.00 H new ATOM 0 H3' A A 4 -2.804 0.885 4.212 1.00 0.00 H new ATOM 0 H2' A A 4 -0.513 0.563 5.028 1.00 0.00 H new ATOM 0 HO2' A A 4 -0.090 -0.692 6.860 1.00 0.00 H new ATOM 0 H1' A A 4 -0.559 -2.136 5.164 1.00 0.00 H new ATOM 0 H8 A A 4 -2.741 -1.653 2.227 1.00 0.00 H new ATOM 0 H61 A A 4 2.382 -1.153 -1.209 1.00 0.00 H new ATOM 0 H62 A A 4 0.625 -1.338 -1.235 1.00 0.00 H new ATOM 0 H2 A A 4 3.567 -0.965 3.115 1.00 0.00 H new ATOM 133 P G A 5 -3.077 2.831 5.884 1.00 0.00 P ATOM 134 OP1 G A 5 -3.995 3.493 6.845 1.00 0.00 O ATOM 135 OP2 G A 5 -3.251 3.061 4.427 1.00 0.00 O ATOM 136 O5' G A 5 -1.584 3.233 6.267 1.00 0.00 O ATOM 137 C5' G A 5 -0.953 2.696 7.426 1.00 0.00 C ATOM 138 C4' G A 5 0.541 2.903 7.344 1.00 0.00 C ATOM 139 O4' G A 5 1.115 1.871 6.493 1.00 0.00 O ATOM 140 C3' G A 5 0.980 4.210 6.701 1.00 0.00 C ATOM 141 O3' G A 5 1.007 5.285 7.637 1.00 0.00 O ATOM 142 C2' G A 5 2.363 3.855 6.171 1.00 0.00 C ATOM 143 O2' G A 5 3.321 3.802 7.213 1.00 0.00 O ATOM 144 C1' G A 5 2.115 2.438 5.665 1.00 0.00 C ATOM 145 N9 G A 5 1.658 2.377 4.279 1.00 0.00 N ATOM 146 C8 G A 5 0.360 2.402 3.825 1.00 0.00 C ATOM 147 N7 G A 5 0.266 2.281 2.530 1.00 0.00 N ATOM 148 C5 G A 5 1.582 2.196 2.098 1.00 0.00 C ATOM 149 C6 G A 5 2.109 2.064 0.792 1.00 0.00 C ATOM 150 O6 G A 5 1.500 1.963 -0.275 1.00 0.00 O ATOM 151 N1 G A 5 3.497 2.043 0.798 1.00 0.00 N ATOM 152 C2 G A 5 4.280 2.113 1.924 1.00 0.00 C ATOM 153 N2 G A 5 5.602 2.061 1.732 1.00 0.00 N ATOM 154 N3 G A 5 3.801 2.224 3.151 1.00 0.00 N ATOM 155 C4 G A 5 2.453 2.265 3.163 1.00 0.00 C ATOM 0 H5' G A 5 -1.177 1.633 7.512 1.00 0.00 H new ATOM 0 H5'' G A 5 -1.347 3.178 8.321 1.00 0.00 H new ATOM 0 H4' G A 5 0.874 2.889 8.382 1.00 0.00 H new ATOM 0 H3' G A 5 0.303 4.569 5.926 1.00 0.00 H new ATOM 0 H2' G A 5 2.746 4.568 5.441 1.00 0.00 H new ATOM 0 HO2' G A 5 3.020 4.357 7.963 1.00 0.00 H new ATOM 0 H1' G A 5 3.062 1.899 5.701 1.00 0.00 H new ATOM 0 H8 G A 5 -0.495 2.511 4.475 1.00 0.00 H new ATOM 0 H1 G A 5 3.971 1.970 -0.102 1.00 0.00 H new ATOM 0 H21 G A 5 6.235 2.108 2.530 1.00 0.00 H new ATOM 0 H22 G A 5 5.977 1.974 0.787 1.00 0.00 H new ATOM 167 P U A 6 -0.078 6.471 7.528 1.00 0.00 P ATOM 168 OP1 U A 6 -0.106 7.188 8.829 1.00 0.00 O ATOM 169 OP2 U A 6 -1.332 5.890 6.984 1.00 0.00 O ATOM 170 O5' U A 6 0.522 7.458 6.427 1.00 0.00 O ATOM 171 C5' U A 6 1.559 7.034 5.540 1.00 0.00 C ATOM 172 C4' U A 6 1.389 7.681 4.187 1.00 0.00 C ATOM 173 O4' U A 6 1.700 6.714 3.158 1.00 0.00 O ATOM 174 C3' U A 6 -0.019 8.140 3.842 1.00 0.00 C ATOM 175 O3' U A 6 -0.254 9.457 4.331 1.00 0.00 O ATOM 176 C2' U A 6 -0.071 8.081 2.313 1.00 0.00 C ATOM 177 O2' U A 6 0.258 9.329 1.732 1.00 0.00 O ATOM 178 C1' U A 6 1.036 7.081 1.967 1.00 0.00 C ATOM 179 N1 U A 6 0.502 5.877 1.316 1.00 0.00 N ATOM 180 C2 U A 6 1.152 5.406 0.189 1.00 0.00 C ATOM 181 O2 U A 6 2.173 5.909 -0.251 1.00 0.00 O ATOM 182 N3 U A 6 0.562 4.321 -0.405 1.00 0.00 N ATOM 183 C4 U A 6 -0.587 3.674 -0.001 1.00 0.00 C ATOM 184 O4 U A 6 -1.020 2.732 -0.668 1.00 0.00 O ATOM 185 C5 U A 6 -1.184 4.208 1.181 1.00 0.00 C ATOM 186 C6 U A 6 -0.633 5.258 1.793 1.00 0.00 C ATOM 0 H5' U A 6 1.538 5.949 5.437 1.00 0.00 H new ATOM 0 H5'' U A 6 2.532 7.296 5.956 1.00 0.00 H new ATOM 0 H4' U A 6 2.043 8.551 4.233 1.00 0.00 H new ATOM 0 H3' U A 6 -0.791 7.520 4.297 1.00 0.00 H new ATOM 0 H2' U A 6 -1.063 7.813 1.950 1.00 0.00 H new ATOM 0 HO2' U A 6 -0.029 9.339 0.795 1.00 0.00 H new ATOM 0 H1' U A 6 1.724 7.557 1.268 1.00 0.00 H new ATOM 0 H3 U A 6 1.023 3.952 -1.237 1.00 0.00 H new ATOM 0 H5 U A 6 -2.083 3.762 1.580 1.00 0.00 H new ATOM 0 H6 U A 6 -1.093 5.636 2.694 1.00 0.00 H new ATOM 197 P U A 7 -1.704 9.860 4.899 1.00 0.00 P ATOM 198 OP1 U A 7 -1.533 10.296 6.308 1.00 0.00 O ATOM 199 OP2 U A 7 -2.670 8.778 4.576 1.00 0.00 O ATOM 200 O5' U A 7 -2.076 11.136 4.021 1.00 0.00 O ATOM 201 C5' U A 7 -1.835 11.139 2.616 1.00 0.00 C ATOM 202 C4' U A 7 -1.373 12.503 2.162 1.00 0.00 C ATOM 203 O4' U A 7 -0.561 13.110 3.209 1.00 0.00 O ATOM 204 C3' U A 7 -0.467 12.463 0.939 1.00 0.00 C ATOM 205 O3' U A 7 -0.565 13.645 0.153 1.00 0.00 O ATOM 206 C2' U A 7 0.915 12.308 1.557 1.00 0.00 C ATOM 207 O2' U A 7 1.923 12.828 0.709 1.00 0.00 O ATOM 208 C1' U A 7 0.781 13.220 2.770 1.00 0.00 C ATOM 209 N1 U A 7 1.671 12.872 3.887 1.00 0.00 N ATOM 210 C2 U A 7 2.780 13.670 4.098 1.00 0.00 C ATOM 211 O2 U A 7 3.043 14.637 3.406 1.00 0.00 O ATOM 212 N3 U A 7 3.573 13.292 5.152 1.00 0.00 N ATOM 213 C4 U A 7 3.375 12.225 5.999 1.00 0.00 C ATOM 214 O4 U A 7 4.182 12.011 6.903 1.00 0.00 O ATOM 215 C5 U A 7 2.207 11.452 5.716 1.00 0.00 C ATOM 216 C6 U A 7 1.412 11.789 4.697 1.00 0.00 C ATOM 0 H5' U A 7 -2.745 10.861 2.084 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.081 10.392 2.369 1.00 0.00 H new ATOM 0 H4' U A 7 -2.284 13.055 1.930 1.00 0.00 H new ATOM 0 H3' U A 7 -0.725 11.664 0.244 1.00 0.00 H new ATOM 0 H2' U A 7 1.191 11.273 1.759 1.00 0.00 H new ATOM 0 HO2' U A 7 2.799 12.715 1.134 1.00 0.00 H new ATOM 0 H1' U A 7 1.062 14.229 2.468 1.00 0.00 H new ATOM 0 H3 U A 7 4.399 13.864 5.327 1.00 0.00 H new ATOM 0 H5 U A 7 1.967 10.594 6.327 1.00 0.00 H new ATOM 0 H6 U A 7 0.535 11.191 4.501 1.00 0.00 H new ATOM 227 P G A 8 -0.517 13.543 -1.452 1.00 0.00 P ATOM 228 OP1 G A 8 0.769 14.121 -1.915 1.00 0.00 O ATOM 229 OP2 G A 8 -1.796 14.093 -1.965 1.00 0.00 O ATOM 230 O5' G A 8 -0.500 11.975 -1.748 1.00 0.00 O ATOM 231 C5' G A 8 0.667 11.182 -1.508 1.00 0.00 C ATOM 232 C4' G A 8 0.399 9.741 -1.874 1.00 0.00 C ATOM 233 O4' G A 8 -0.570 9.208 -0.931 1.00 0.00 O ATOM 234 C3' G A 8 -0.218 9.515 -3.249 1.00 0.00 C ATOM 235 O3' G A 8 0.131 8.241 -3.790 1.00 0.00 O ATOM 236 C2' G A 8 -1.715 9.628 -2.976 1.00 0.00 C ATOM 237 O2' G A 8 -2.453 8.814 -3.866 1.00 0.00 O ATOM 238 C1' G A 8 -1.819 9.033 -1.569 1.00 0.00 C ATOM 239 N9 G A 8 -2.851 9.653 -0.741 1.00 0.00 N ATOM 240 C8 G A 8 -3.344 10.931 -0.846 1.00 0.00 C ATOM 241 N7 G A 8 -4.271 11.200 0.031 1.00 0.00 N ATOM 242 C5 G A 8 -4.398 10.028 0.764 1.00 0.00 C ATOM 243 C6 G A 8 -5.248 9.715 1.857 1.00 0.00 C ATOM 244 O6 G A 8 -6.089 10.433 2.411 1.00 0.00 O ATOM 245 N1 G A 8 -5.049 8.413 2.303 1.00 0.00 N ATOM 246 C2 G A 8 -4.150 7.525 1.769 1.00 0.00 C ATOM 247 N2 G A 8 -4.108 6.315 2.341 1.00 0.00 N ATOM 248 N3 G A 8 -3.351 7.802 0.752 1.00 0.00 N ATOM 249 C4 G A 8 -3.526 9.063 0.302 1.00 0.00 C ATOM 0 H5' G A 8 0.954 11.252 -0.459 1.00 0.00 H new ATOM 0 H5'' G A 8 1.503 11.565 -2.093 1.00 0.00 H new ATOM 0 H4' G A 8 1.377 9.261 -1.862 1.00 0.00 H new ATOM 0 H3' G A 8 0.134 10.227 -3.995 1.00 0.00 H new ATOM 0 H2' G A 8 -2.097 10.643 -3.084 1.00 0.00 H new ATOM 0 HO2' G A 8 -1.880 8.094 -4.203 1.00 0.00 H new ATOM 0 H1' G A 8 -2.094 7.984 -1.680 1.00 0.00 H new ATOM 0 H8 G A 8 -2.998 11.642 -1.582 1.00 0.00 H new ATOM 0 H1 G A 8 -5.616 8.093 3.089 1.00 0.00 H new ATOM 0 H21 G A 8 -3.461 5.608 1.992 1.00 0.00 H new ATOM 0 H22 G A 8 -4.723 6.100 3.126 1.00 0.00 H new ATOM 261 P G A 9 1.550 8.041 -4.524 1.00 0.00 P ATOM 262 OP1 G A 9 2.408 7.248 -3.607 1.00 0.00 O ATOM 263 OP2 G A 9 2.026 9.359 -5.017 1.00 0.00 O ATOM 264 O5' G A 9 1.209 7.132 -5.789 1.00 0.00 O ATOM 265 C5' G A 9 2.229 6.738 -6.705 1.00 0.00 C ATOM 266 C4' G A 9 1.648 6.566 -8.090 1.00 0.00 C ATOM 267 O4' G A 9 1.427 7.881 -8.667 1.00 0.00 O ATOM 268 C3' G A 9 2.551 5.845 -9.086 1.00 0.00 C ATOM 269 O3' G A 9 1.795 5.171 -10.089 1.00 0.00 O ATOM 270 C2' G A 9 3.385 6.981 -9.665 1.00 0.00 C ATOM 271 O2' G A 9 3.787 6.692 -10.991 1.00 0.00 O ATOM 272 C1' G A 9 2.361 8.116 -9.704 1.00 0.00 C ATOM 273 N9 G A 9 2.943 9.440 -9.506 1.00 0.00 N ATOM 274 C8 G A 9 3.517 9.931 -8.359 1.00 0.00 C ATOM 275 N7 G A 9 3.952 11.155 -8.484 1.00 0.00 N ATOM 276 C5 G A 9 3.644 11.495 -9.794 1.00 0.00 C ATOM 277 C6 G A 9 3.871 12.699 -10.509 1.00 0.00 C ATOM 278 O6 G A 9 4.407 13.741 -10.115 1.00 0.00 O ATOM 279 N1 G A 9 3.402 12.614 -11.816 1.00 0.00 N ATOM 280 C2 G A 9 2.791 11.515 -12.363 1.00 0.00 C ATOM 281 N2 G A 9 2.408 11.628 -13.640 1.00 0.00 N ATOM 282 N3 G A 9 2.572 10.387 -11.709 1.00 0.00 N ATOM 283 C4 G A 9 3.021 10.447 -10.439 1.00 0.00 C ATOM 0 H5' G A 9 2.684 5.804 -6.375 1.00 0.00 H new ATOM 0 H5'' G A 9 3.020 7.488 -6.725 1.00 0.00 H new ATOM 0 H4' G A 9 0.748 5.969 -7.944 1.00 0.00 H new ATOM 0 H3' G A 9 3.156 5.060 -8.632 1.00 0.00 H new ATOM 0 H2' G A 9 4.294 7.183 -9.098 1.00 0.00 H new ATOM 0 HO2' G A 9 3.231 5.970 -11.351 1.00 0.00 H new ATOM 0 H1' G A 9 1.908 8.117 -10.695 1.00 0.00 H new ATOM 0 H8 G A 9 3.600 9.361 -7.445 1.00 0.00 H new ATOM 0 H1 G A 9 3.522 13.432 -12.413 1.00 0.00 H new ATOM 0 H21 G A 9 1.948 10.846 -14.106 1.00 0.00 H new ATOM 0 H22 G A 9 2.576 12.496 -14.148 1.00 0.00 H new ATOM 295 P G A 10 1.804 3.563 -10.156 1.00 0.00 P ATOM 296 OP1 G A 10 1.746 3.183 -11.591 1.00 0.00 O ATOM 297 OP2 G A 10 0.769 3.054 -9.221 1.00 0.00 O ATOM 298 O5' G A 10 3.237 3.155 -9.589 1.00 0.00 O ATOM 299 C5' G A 10 4.418 3.325 -10.372 1.00 0.00 C ATOM 300 C4' G A 10 5.579 3.722 -9.487 1.00 0.00 C ATOM 301 O4' G A 10 5.060 4.422 -8.324 1.00 0.00 O ATOM 302 C3' G A 10 6.402 2.570 -8.922 1.00 0.00 C ATOM 303 O3' G A 10 7.755 2.959 -8.706 1.00 0.00 O ATOM 304 C2' G A 10 5.673 2.238 -7.626 1.00 0.00 C ATOM 305 O2' G A 10 6.547 1.704 -6.651 1.00 0.00 O ATOM 306 C1' G A 10 5.229 3.625 -7.167 1.00 0.00 C ATOM 307 N9 G A 10 3.967 3.590 -6.439 1.00 0.00 N ATOM 308 C8 G A 10 2.771 3.088 -6.890 1.00 0.00 C ATOM 309 N7 G A 10 1.819 3.152 -6.002 1.00 0.00 N ATOM 310 C5 G A 10 2.421 3.738 -4.898 1.00 0.00 C ATOM 311 C6 G A 10 1.889 4.066 -3.631 1.00 0.00 C ATOM 312 O6 G A 10 0.735 3.906 -3.219 1.00 0.00 O ATOM 313 N1 G A 10 2.850 4.639 -2.806 1.00 0.00 N ATOM 314 C2 G A 10 4.149 4.885 -3.162 1.00 0.00 C ATOM 315 N2 G A 10 4.916 5.452 -2.227 1.00 0.00 N ATOM 316 N3 G A 10 4.659 4.594 -4.344 1.00 0.00 N ATOM 317 C4 G A 10 3.746 4.022 -5.156 1.00 0.00 C ATOM 0 H5' G A 10 4.253 4.089 -11.132 1.00 0.00 H new ATOM 0 H5'' G A 10 4.652 2.399 -10.897 1.00 0.00 H new ATOM 0 H4' G A 10 6.225 4.315 -10.134 1.00 0.00 H new ATOM 0 H3' G A 10 6.474 1.712 -9.590 1.00 0.00 H new ATOM 0 H2' G A 10 4.881 1.502 -7.763 1.00 0.00 H new ATOM 0 HO2' G A 10 6.432 2.190 -5.808 1.00 0.00 H new ATOM 0 H1' G A 10 5.986 4.027 -6.493 1.00 0.00 H new ATOM 0 H8 G A 10 2.633 2.681 -7.881 1.00 0.00 H new ATOM 0 H1 G A 10 2.565 4.896 -1.861 1.00 0.00 H new ATOM 0 H21 G A 10 5.894 5.662 -2.428 1.00 0.00 H new ATOM 0 H22 G A 10 4.524 5.675 -1.312 1.00 0.00 H new ATOM 329 P C A 11 8.894 1.834 -8.539 1.00 0.00 P ATOM 330 OP1 C A 11 10.150 2.390 -9.104 1.00 0.00 O ATOM 331 OP2 C A 11 8.368 0.543 -9.050 1.00 0.00 O ATOM 332 O5' C A 11 9.072 1.702 -6.962 1.00 0.00 O ATOM 333 C5' C A 11 9.722 2.721 -6.208 1.00 0.00 C ATOM 334 C4' C A 11 9.714 2.373 -4.736 1.00 0.00 C ATOM 335 O4' C A 11 8.609 3.036 -4.074 1.00 0.00 O ATOM 336 C3' C A 11 9.468 0.917 -4.380 1.00 0.00 C ATOM 337 O3' C A 11 10.612 0.095 -4.588 1.00 0.00 O ATOM 338 C2' C A 11 9.086 1.016 -2.907 1.00 0.00 C ATOM 339 O2' C A 11 10.228 1.172 -2.086 1.00 0.00 O ATOM 340 C1' C A 11 8.290 2.324 -2.889 1.00 0.00 C ATOM 341 N1 C A 11 6.835 2.113 -2.830 1.00 0.00 N ATOM 342 C2 C A 11 6.218 2.067 -1.576 1.00 0.00 C ATOM 343 O2 C A 11 6.913 2.214 -0.560 1.00 0.00 O ATOM 344 N3 C A 11 4.885 1.864 -1.502 1.00 0.00 N ATOM 345 C4 C A 11 4.173 1.707 -2.618 1.00 0.00 C ATOM 346 N4 C A 11 2.864 1.501 -2.500 1.00 0.00 N ATOM 347 C5 C A 11 4.771 1.755 -3.907 1.00 0.00 C ATOM 348 C6 C A 11 6.094 1.958 -3.968 1.00 0.00 C ATOM 0 H5' C A 11 9.220 3.675 -6.365 1.00 0.00 H new ATOM 0 H5'' C A 11 10.749 2.840 -6.555 1.00 0.00 H new ATOM 0 H4' C A 11 10.717 2.669 -4.429 1.00 0.00 H new ATOM 0 H3' C A 11 8.709 0.443 -5.002 1.00 0.00 H new ATOM 0 H2' C A 11 8.559 0.135 -2.541 1.00 0.00 H new ATOM 0 HO2' C A 11 10.255 0.451 -1.423 1.00 0.00 H new ATOM 0 H1' C A 11 8.562 2.877 -1.990 1.00 0.00 H new ATOM 0 H41 C A 11 2.290 1.377 -3.334 1.00 0.00 H new ATOM 0 H42 C A 11 2.434 1.467 -1.575 1.00 0.00 H new ATOM 0 H5 C A 11 4.181 1.632 -4.803 1.00 0.00 H new ATOM 0 H6 C A 11 6.582 2.000 -4.931 1.00 0.00 H new ATOM 360 P U A 12 10.436 -1.501 -4.678 1.00 0.00 P ATOM 361 OP1 U A 12 11.750 -2.071 -5.076 1.00 0.00 O ATOM 362 OP2 U A 12 9.232 -1.791 -5.496 1.00 0.00 O ATOM 363 O5' U A 12 10.135 -1.943 -3.175 1.00 0.00 O ATOM 364 C5' U A 12 11.187 -2.069 -2.220 1.00 0.00 C ATOM 365 C4' U A 12 10.623 -2.149 -0.819 1.00 0.00 C ATOM 366 O4' U A 12 9.607 -1.126 -0.648 1.00 0.00 O ATOM 367 C3' U A 12 9.889 -3.435 -0.467 1.00 0.00 C ATOM 368 O3' U A 12 10.784 -4.486 -0.112 1.00 0.00 O ATOM 369 C2' U A 12 9.015 -2.998 0.704 1.00 0.00 C ATOM 370 O2' U A 12 9.750 -2.926 1.911 1.00 0.00 O ATOM 371 C1' U A 12 8.640 -1.575 0.288 1.00 0.00 C ATOM 372 N1 U A 12 7.309 -1.501 -0.332 1.00 0.00 N ATOM 373 C2 U A 12 6.220 -1.348 0.507 1.00 0.00 C ATOM 374 O2 U A 12 6.322 -1.262 1.717 1.00 0.00 O ATOM 375 N3 U A 12 5.006 -1.298 -0.126 1.00 0.00 N ATOM 376 C4 U A 12 4.774 -1.371 -1.483 1.00 0.00 C ATOM 377 O4 U A 12 3.622 -1.284 -1.907 1.00 0.00 O ATOM 378 C5 U A 12 5.950 -1.526 -2.279 1.00 0.00 C ATOM 379 C6 U A 12 7.150 -1.588 -1.694 1.00 0.00 C ATOM 0 H5' U A 12 11.862 -1.217 -2.299 1.00 0.00 H new ATOM 0 H5'' U A 12 11.775 -2.962 -2.433 1.00 0.00 H new ATOM 0 H4' U A 12 11.507 -2.053 -0.188 1.00 0.00 H new ATOM 0 H3' U A 12 9.321 -3.852 -1.298 1.00 0.00 H new ATOM 0 H2' U A 12 8.184 -3.679 0.887 1.00 0.00 H new ATOM 0 HO2' U A 12 9.134 -2.799 2.662 1.00 0.00 H new ATOM 0 H1' U A 12 8.616 -0.952 1.182 1.00 0.00 H new ATOM 0 H3 U A 12 4.185 -1.196 0.471 1.00 0.00 H new ATOM 0 H5 U A 12 5.869 -1.593 -3.354 1.00 0.00 H new ATOM 0 H6 U A 12 8.026 -1.711 -2.314 1.00 0.00 H new ATOM 390 P C A 13 10.201 -5.939 0.261 1.00 0.00 P ATOM 391 OP1 C A 13 11.359 -6.849 0.458 1.00 0.00 O ATOM 392 OP2 C A 13 9.150 -6.295 -0.727 1.00 0.00 O ATOM 393 O5' C A 13 9.493 -5.724 1.672 1.00 0.00 O ATOM 394 C5' C A 13 10.257 -5.461 2.846 1.00 0.00 C ATOM 395 C4' C A 13 9.366 -5.493 4.065 1.00 0.00 C ATOM 396 O4' C A 13 8.332 -4.482 3.926 1.00 0.00 O ATOM 397 C3' C A 13 8.606 -6.795 4.272 1.00 0.00 C ATOM 398 O3' C A 13 9.398 -7.737 4.989 1.00 0.00 O ATOM 399 C2' C A 13 7.375 -6.345 5.051 1.00 0.00 C ATOM 400 O2' C A 13 7.679 -6.157 6.421 1.00 0.00 O ATOM 401 C1' C A 13 7.101 -4.980 4.421 1.00 0.00 C ATOM 402 N1 C A 13 6.135 -5.011 3.308 1.00 0.00 N ATOM 403 C2 C A 13 4.767 -4.938 3.596 1.00 0.00 C ATOM 404 O2 C A 13 4.404 -4.876 4.780 1.00 0.00 O ATOM 405 N3 C A 13 3.878 -4.939 2.579 1.00 0.00 N ATOM 406 C4 C A 13 4.307 -5.012 1.317 1.00 0.00 C ATOM 407 N4 C A 13 3.394 -4.999 0.346 1.00 0.00 N ATOM 408 C5 C A 13 5.693 -5.100 0.997 1.00 0.00 C ATOM 409 C6 C A 13 6.563 -5.100 2.013 1.00 0.00 C ATOM 0 H5' C A 13 10.739 -4.487 2.764 1.00 0.00 H new ATOM 0 H5'' C A 13 11.050 -6.202 2.946 1.00 0.00 H new ATOM 0 H4' C A 13 10.045 -5.341 4.904 1.00 0.00 H new ATOM 0 H3' C A 13 8.345 -7.310 3.348 1.00 0.00 H new ATOM 0 H2' C A 13 6.552 -7.059 5.008 1.00 0.00 H new ATOM 0 HO2' C A 13 8.513 -6.623 6.638 1.00 0.00 H new ATOM 0 H1' C A 13 6.662 -4.351 5.195 1.00 0.00 H new ATOM 0 H41 C A 13 3.686 -5.053 -0.630 1.00 0.00 H new ATOM 0 H42 C A 13 2.403 -4.935 0.579 1.00 0.00 H new ATOM 0 H5 C A 13 6.028 -5.164 -0.028 1.00 0.00 H new ATOM 0 H6 C A 13 7.621 -5.171 1.807 1.00 0.00 H new ATOM 421 P U A 14 9.697 -9.183 4.351 1.00 0.00 P ATOM 422 OP1 U A 14 10.971 -9.689 4.923 1.00 0.00 O ATOM 423 OP2 U A 14 9.545 -9.079 2.876 1.00 0.00 O ATOM 424 O5' U A 14 8.507 -10.088 4.903 1.00 0.00 O ATOM 425 C5' U A 14 8.158 -10.071 6.286 1.00 0.00 C ATOM 426 C4' U A 14 6.750 -10.586 6.472 1.00 0.00 C ATOM 427 O4' U A 14 5.811 -9.546 6.097 1.00 0.00 O ATOM 428 C3' U A 14 6.366 -11.768 5.598 1.00 0.00 C ATOM 429 O3' U A 14 6.793 -12.997 6.175 1.00 0.00 O ATOM 430 C2' U A 14 4.847 -11.650 5.529 1.00 0.00 C ATOM 431 O2' U A 14 4.242 -12.167 6.698 1.00 0.00 O ATOM 432 C1' U A 14 4.658 -10.131 5.515 1.00 0.00 C ATOM 433 N1 U A 14 4.478 -9.564 4.171 1.00 0.00 N ATOM 434 C2 U A 14 3.219 -9.647 3.601 1.00 0.00 C ATOM 435 O2 U A 14 2.274 -10.176 4.157 1.00 0.00 O ATOM 436 N3 U A 14 3.109 -9.086 2.354 1.00 0.00 N ATOM 437 C4 U A 14 4.105 -8.464 1.635 1.00 0.00 C ATOM 438 O4 U A 14 3.847 -7.992 0.528 1.00 0.00 O ATOM 439 C5 U A 14 5.375 -8.425 2.287 1.00 0.00 C ATOM 440 C6 U A 14 5.521 -8.964 3.501 1.00 0.00 C ATOM 0 H5' U A 14 8.237 -9.056 6.677 1.00 0.00 H new ATOM 0 H5'' U A 14 8.857 -10.686 6.853 1.00 0.00 H new ATOM 0 H4' U A 14 6.715 -10.892 7.518 1.00 0.00 H new ATOM 0 H3' U A 14 6.833 -11.759 4.613 1.00 0.00 H new ATOM 0 H2' U A 14 4.412 -12.187 4.686 1.00 0.00 H new ATOM 0 HO2' U A 14 4.889 -12.719 7.185 1.00 0.00 H new ATOM 0 H1' U A 14 3.745 -9.914 6.070 1.00 0.00 H new ATOM 0 H3 U A 14 2.191 -9.135 1.912 1.00 0.00 H new ATOM 0 H5 U A 14 6.218 -7.959 1.798 1.00 0.00 H new ATOM 0 H6 U A 14 6.491 -8.928 3.974 1.00 0.00 H new ATOM 451 P C A 15 7.173 -14.239 5.227 1.00 0.00 P ATOM 452 OP1 C A 15 7.946 -15.205 6.048 1.00 0.00 O ATOM 453 OP2 C A 15 7.759 -13.715 3.966 1.00 0.00 O ATOM 454 O5' C A 15 5.765 -14.901 4.879 1.00 0.00 O ATOM 455 C5' C A 15 4.984 -15.535 5.889 1.00 0.00 C ATOM 456 C4' C A 15 3.747 -16.150 5.276 1.00 0.00 C ATOM 457 O4' C A 15 2.786 -15.093 5.015 1.00 0.00 O ATOM 458 C3' C A 15 3.960 -16.834 3.931 1.00 0.00 C ATOM 459 O3' C A 15 4.336 -18.206 4.075 1.00 0.00 O ATOM 460 C2' C A 15 2.604 -16.679 3.256 1.00 0.00 C ATOM 461 O2' C A 15 1.683 -17.644 3.732 1.00 0.00 O ATOM 462 C1' C A 15 2.171 -15.302 3.758 1.00 0.00 C ATOM 463 N1 C A 15 2.547 -14.193 2.864 1.00 0.00 N ATOM 464 C2 C A 15 1.587 -13.689 1.987 1.00 0.00 C ATOM 465 O2 C A 15 0.455 -14.191 1.988 1.00 0.00 O ATOM 466 N3 C A 15 1.915 -12.668 1.161 1.00 0.00 N ATOM 467 C4 C A 15 3.146 -12.155 1.194 1.00 0.00 C ATOM 468 N4 C A 15 3.425 -11.150 0.362 1.00 0.00 N ATOM 469 C5 C A 15 4.145 -12.648 2.083 1.00 0.00 C ATOM 470 C6 C A 15 3.806 -13.661 2.891 1.00 0.00 C ATOM 0 H5' C A 15 4.700 -14.808 6.650 1.00 0.00 H new ATOM 0 H5'' C A 15 5.574 -16.304 6.387 1.00 0.00 H new ATOM 0 H4' C A 15 3.422 -16.902 5.996 1.00 0.00 H new ATOM 0 H3' C A 15 4.777 -16.399 3.356 1.00 0.00 H new ATOM 0 H2' C A 15 2.646 -16.794 2.173 1.00 0.00 H new ATOM 0 HO2' C A 15 2.169 -18.366 4.183 1.00 0.00 H new ATOM 0 HO3' C A 15 4.460 -18.606 3.189 1.00 0.00 H new ATOM 0 H1' C A 15 1.082 -15.301 3.810 1.00 0.00 H new ATOM 0 H41 C A 15 4.356 -10.733 0.360 1.00 0.00 H new ATOM 0 H42 C A 15 2.707 -10.798 -0.272 1.00 0.00 H new ATOM 0 H5 C A 15 5.137 -12.221 2.104 1.00 0.00 H new ATOM 0 H6 C A 15 4.539 -14.064 3.575 1.00 0.00 H new TER 483 C A 15