USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 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 180:sc= 0 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -16:sc= 0.00421 USER MOD Single : A 3 G O2' : rot -18:sc= 0.0129 USER MOD Single : A 4 G O2' : rot -20:sc= 0.0113 USER MOD Single : A 5 A O2' : rot -16:sc= 0.0345 USER MOD Single : A 6 C O2' : rot -17:sc= 0.0616 USER MOD Single : A 7 A O2' : rot 138:sc= 0.0789 USER MOD Single : A 8 U O2' : rot 21:sc= 0.0679 USER MOD Single : A 9 A O2' : rot 102:sc= 1.13 USER MOD Single : A 10 G O2' : rot -9:sc= 0.0833 USER MOD Single : A 11 A O2' : rot 6:sc= 0.102 USER MOD Single : A 12 U O2' : rot -20:sc= 0.0148 USER MOD Single : A 13 C O2' : rot -13:sc= 0.0136 USER MOD Single : A 14 U O2' : rot 180:sc= 0 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -17:sc= 0.0143 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0146 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -12.584 -3.357 9.043 1.00 0.00 O ATOM 2 C5' G A 1 -11.259 -2.893 8.884 1.00 0.00 C ATOM 3 C4' G A 1 -10.282 -3.701 9.755 1.00 0.00 C ATOM 4 O4' G A 1 -10.237 -5.072 9.372 1.00 0.00 O ATOM 5 C3' G A 1 -8.840 -3.192 9.640 1.00 0.00 C ATOM 6 O3' G A 1 -8.601 -2.044 10.448 1.00 0.00 O ATOM 7 C2' G A 1 -8.061 -4.444 10.052 1.00 0.00 C ATOM 8 O2' G A 1 -8.032 -4.662 11.455 1.00 0.00 O ATOM 9 C1' G A 1 -8.890 -5.537 9.371 1.00 0.00 C ATOM 10 N9 G A 1 -8.422 -5.817 7.982 1.00 0.00 N ATOM 11 C8 G A 1 -8.978 -5.426 6.785 1.00 0.00 C ATOM 12 N7 G A 1 -8.344 -5.851 5.729 1.00 0.00 N ATOM 13 C5 G A 1 -7.284 -6.587 6.245 1.00 0.00 C ATOM 14 C6 G A 1 -6.237 -7.302 5.562 1.00 0.00 C ATOM 15 O6 G A 1 -6.064 -7.407 4.349 1.00 0.00 O ATOM 16 N1 G A 1 -5.337 -7.930 6.438 1.00 0.00 N ATOM 17 C2 G A 1 -5.442 -7.870 7.827 1.00 0.00 C ATOM 18 N2 G A 1 -4.501 -8.519 8.526 1.00 0.00 N ATOM 19 N3 G A 1 -6.431 -7.197 8.467 1.00 0.00 N ATOM 20 C4 G A 1 -7.324 -6.574 7.629 1.00 0.00 C ATOM 0 H5' G A 1 -11.205 -1.838 9.154 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.967 -2.970 7.837 1.00 0.00 H new ATOM 0 H4' G A 1 -10.658 -3.583 10.771 1.00 0.00 H new ATOM 0 H3' G A 1 -8.555 -2.821 8.655 1.00 0.00 H new ATOM 0 H2' G A 1 -7.009 -4.394 9.772 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.521 -5.476 11.649 1.00 0.00 H new ATOM 0 HO5' G A 1 -13.186 -2.827 8.480 1.00 0.00 H new ATOM 0 H1' G A 1 -8.790 -6.480 9.908 1.00 0.00 H new ATOM 0 H8 G A 1 -9.868 -4.816 6.726 1.00 0.00 H new ATOM 0 H1 G A 1 -4.563 -8.459 6.036 1.00 0.00 H new ATOM 0 H21 G A 1 -4.526 -8.510 9.546 1.00 0.00 H new ATOM 0 H22 G A 1 -3.759 -9.022 8.038 1.00 0.00 H new ATOM 33 P A A 2 -7.406 -0.988 10.138 1.00 0.00 P ATOM 34 OP1 A A 2 -7.462 0.077 11.164 1.00 0.00 O ATOM 35 OP2 A A 2 -7.468 -0.617 8.706 1.00 0.00 O ATOM 36 O5' A A 2 -6.056 -1.853 10.361 1.00 0.00 O ATOM 37 C5' A A 2 -5.611 -2.255 11.649 1.00 0.00 C ATOM 38 C4' A A 2 -4.407 -3.206 11.559 1.00 0.00 C ATOM 39 O4' A A 2 -4.707 -4.400 10.848 1.00 0.00 O ATOM 40 C3' A A 2 -3.195 -2.604 10.840 1.00 0.00 C ATOM 41 O3' A A 2 -2.500 -1.664 11.652 1.00 0.00 O ATOM 42 C2' A A 2 -2.417 -3.877 10.495 1.00 0.00 C ATOM 43 O2' A A 2 -1.693 -4.416 11.589 1.00 0.00 O ATOM 44 C1' A A 2 -3.567 -4.814 10.095 1.00 0.00 C ATOM 45 N9 A A 2 -3.845 -4.757 8.628 1.00 0.00 N ATOM 46 C8 A A 2 -4.873 -4.132 7.958 1.00 0.00 C ATOM 47 N7 A A 2 -4.845 -4.275 6.664 1.00 0.00 N ATOM 48 C5 A A 2 -3.719 -5.057 6.437 1.00 0.00 C ATOM 49 C6 A A 2 -3.116 -5.583 5.256 1.00 0.00 C ATOM 50 N6 A A 2 -3.609 -5.371 4.028 1.00 0.00 N ATOM 51 N1 A A 2 -1.988 -6.333 5.378 1.00 0.00 N ATOM 52 C2 A A 2 -1.485 -6.548 6.603 1.00 0.00 C ATOM 53 N3 A A 2 -1.958 -6.115 7.781 1.00 0.00 N ATOM 54 C4 A A 2 -3.098 -5.360 7.637 1.00 0.00 C ATOM 0 H5' A A 2 -6.426 -2.748 12.179 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.338 -1.375 12.232 1.00 0.00 H new ATOM 0 H4' A A 2 -4.173 -3.403 12.605 1.00 0.00 H new ATOM 0 H3' A A 2 -3.416 -1.997 9.962 1.00 0.00 H new ATOM 0 H2' A A 2 -1.650 -3.714 9.738 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.612 -3.739 12.293 1.00 0.00 H new ATOM 0 H1' A A 2 -3.306 -5.850 10.309 1.00 0.00 H new ATOM 0 H8 A A 2 -5.642 -3.568 8.466 1.00 0.00 H new ATOM 0 H61 A A 2 -3.140 -5.769 3.214 1.00 0.00 H new ATOM 0 H62 A A 2 -4.453 -4.811 3.907 1.00 0.00 H new ATOM 0 H2 A A 2 -0.586 -7.145 6.646 1.00 0.00 H new ATOM 66 P G A 3 -1.628 -0.448 11.024 1.00 0.00 P ATOM 67 OP1 G A 3 -1.137 0.388 12.143 1.00 0.00 O ATOM 68 OP2 G A 3 -2.411 0.185 9.937 1.00 0.00 O ATOM 69 O5' G A 3 -0.369 -1.204 10.348 1.00 0.00 O ATOM 70 C5' G A 3 0.650 -1.819 11.121 1.00 0.00 C ATOM 71 C4' G A 3 1.655 -2.566 10.232 1.00 0.00 C ATOM 72 O4' G A 3 1.044 -3.628 9.512 1.00 0.00 O ATOM 73 C3' G A 3 2.322 -1.687 9.167 1.00 0.00 C ATOM 74 O3' G A 3 3.319 -0.833 9.717 1.00 0.00 O ATOM 75 C2' G A 3 2.837 -2.763 8.207 1.00 0.00 C ATOM 76 O2' G A 3 4.036 -3.384 8.643 1.00 0.00 O ATOM 77 C1' G A 3 1.670 -3.762 8.238 1.00 0.00 C ATOM 78 N9 G A 3 0.691 -3.517 7.138 1.00 0.00 N ATOM 79 C8 G A 3 -0.573 -2.976 7.197 1.00 0.00 C ATOM 80 N7 G A 3 -1.190 -2.910 6.053 1.00 0.00 N ATOM 81 C5 G A 3 -0.283 -3.451 5.150 1.00 0.00 C ATOM 82 C6 G A 3 -0.398 -3.645 3.728 1.00 0.00 C ATOM 83 O6 G A 3 -1.353 -3.366 3.007 1.00 0.00 O ATOM 84 N1 G A 3 0.750 -4.215 3.156 1.00 0.00 N ATOM 85 C2 G A 3 1.886 -4.562 3.887 1.00 0.00 C ATOM 86 N2 G A 3 2.905 -5.097 3.201 1.00 0.00 N ATOM 87 N3 G A 3 1.987 -4.386 5.226 1.00 0.00 N ATOM 88 C4 G A 3 0.876 -3.826 5.808 1.00 0.00 C ATOM 0 H5' G A 3 0.201 -2.515 11.829 1.00 0.00 H new ATOM 0 H5'' G A 3 1.172 -1.062 11.706 1.00 0.00 H new ATOM 0 H4' G A 3 2.399 -2.924 10.944 1.00 0.00 H new ATOM 0 H3' G A 3 1.674 -0.959 8.678 1.00 0.00 H new ATOM 0 H2' G A 3 3.095 -2.367 7.225 1.00 0.00 H new ATOM 0 HO2' G A 3 4.467 -2.823 9.321 1.00 0.00 H new ATOM 0 H1' G A 3 2.044 -4.775 8.086 1.00 0.00 H new ATOM 0 H8 G A 3 -1.018 -2.633 8.120 1.00 0.00 H new ATOM 0 H1 G A 3 0.754 -4.385 2.150 1.00 0.00 H new ATOM 0 H21 G A 3 3.760 -5.369 3.687 1.00 0.00 H new ATOM 0 H22 G A 3 2.826 -5.232 2.193 1.00 0.00 H new ATOM 100 P G A 4 3.704 0.596 9.052 1.00 0.00 P ATOM 101 OP1 G A 4 4.722 1.241 9.913 1.00 0.00 O ATOM 102 OP2 G A 4 2.453 1.325 8.740 1.00 0.00 O ATOM 103 O5' G A 4 4.397 0.184 7.648 1.00 0.00 O ATOM 104 C5' G A 4 5.687 -0.405 7.579 1.00 0.00 C ATOM 105 C4' G A 4 6.022 -0.848 6.148 1.00 0.00 C ATOM 106 O4' G A 4 5.112 -1.835 5.683 1.00 0.00 O ATOM 107 C3' G A 4 5.967 0.277 5.107 1.00 0.00 C ATOM 108 O3' G A 4 7.103 1.133 5.154 1.00 0.00 O ATOM 109 C2' G A 4 5.829 -0.538 3.820 1.00 0.00 C ATOM 110 O2' G A 4 7.054 -1.084 3.356 1.00 0.00 O ATOM 111 C1' G A 4 4.894 -1.663 4.285 1.00 0.00 C ATOM 112 N9 G A 4 3.469 -1.341 3.996 1.00 0.00 N ATOM 113 C8 G A 4 2.457 -0.968 4.850 1.00 0.00 C ATOM 114 N7 G A 4 1.309 -0.761 4.271 1.00 0.00 N ATOM 115 C5 G A 4 1.558 -1.017 2.929 1.00 0.00 C ATOM 116 C6 G A 4 0.672 -0.959 1.795 1.00 0.00 C ATOM 117 O6 G A 4 -0.520 -0.664 1.786 1.00 0.00 O ATOM 118 N1 G A 4 1.309 -1.281 0.585 1.00 0.00 N ATOM 119 C2 G A 4 2.657 -1.621 0.486 1.00 0.00 C ATOM 120 N2 G A 4 3.121 -1.896 -0.739 1.00 0.00 N ATOM 121 N3 G A 4 3.483 -1.684 1.556 1.00 0.00 N ATOM 122 C4 G A 4 2.882 -1.372 2.750 1.00 0.00 C ATOM 0 H5' G A 4 5.733 -1.264 8.248 1.00 0.00 H new ATOM 0 H5'' G A 4 6.434 0.309 7.925 1.00 0.00 H new ATOM 0 H4' G A 4 7.043 -1.221 6.232 1.00 0.00 H new ATOM 0 H3' G A 4 5.161 0.997 5.247 1.00 0.00 H new ATOM 0 H2' G A 4 5.476 0.062 2.981 1.00 0.00 H new ATOM 0 HO2' G A 4 7.803 -0.586 3.746 1.00 0.00 H new ATOM 0 H1' G A 4 5.111 -2.585 3.746 1.00 0.00 H new ATOM 0 H8 G A 4 2.603 -0.856 5.914 1.00 0.00 H new ATOM 0 H1 G A 4 0.753 -1.265 -0.270 1.00 0.00 H new ATOM 0 H21 G A 4 4.100 -2.151 -0.868 1.00 0.00 H new ATOM 0 H22 G A 4 2.495 -1.851 -1.543 1.00 0.00 H new ATOM 134 P A A 5 7.046 2.678 4.658 1.00 0.00 P ATOM 135 OP1 A A 5 8.386 3.274 4.867 1.00 0.00 O ATOM 136 OP2 A A 5 5.865 3.320 5.277 1.00 0.00 O ATOM 137 O5' A A 5 6.771 2.572 3.064 1.00 0.00 O ATOM 138 C5' A A 5 7.750 2.097 2.151 1.00 0.00 C ATOM 139 C4' A A 5 7.167 1.926 0.740 1.00 0.00 C ATOM 140 O4' A A 5 6.056 1.044 0.738 1.00 0.00 O ATOM 141 C3' A A 5 6.655 3.229 0.118 1.00 0.00 C ATOM 142 O3' A A 5 7.724 4.028 -0.382 1.00 0.00 O ATOM 143 C2' A A 5 5.706 2.685 -0.954 1.00 0.00 C ATOM 144 O2' A A 5 6.360 2.327 -2.161 1.00 0.00 O ATOM 145 C1' A A 5 5.135 1.427 -0.277 1.00 0.00 C ATOM 146 N9 A A 5 3.780 1.669 0.296 1.00 0.00 N ATOM 147 C8 A A 5 3.388 1.737 1.615 1.00 0.00 C ATOM 148 N7 A A 5 2.114 1.945 1.790 1.00 0.00 N ATOM 149 C5 A A 5 1.602 2.014 0.499 1.00 0.00 C ATOM 150 C6 A A 5 0.288 2.212 -0.026 1.00 0.00 C ATOM 151 N6 A A 5 -0.794 2.383 0.748 1.00 0.00 N ATOM 152 N1 A A 5 0.121 2.241 -1.374 1.00 0.00 N ATOM 153 C2 A A 5 1.194 2.073 -2.161 1.00 0.00 C ATOM 154 N3 A A 5 2.469 1.868 -1.792 1.00 0.00 N ATOM 155 C4 A A 5 2.616 1.849 -0.425 1.00 0.00 C ATOM 0 H5' A A 5 8.143 1.143 2.501 1.00 0.00 H new ATOM 0 H5'' A A 5 8.587 2.794 2.118 1.00 0.00 H new ATOM 0 H4' A A 5 8.005 1.540 0.160 1.00 0.00 H new ATOM 0 H3' A A 5 6.160 3.916 0.805 1.00 0.00 H new ATOM 0 H2' A A 5 4.968 3.429 -1.255 1.00 0.00 H new ATOM 0 HO2' A A 5 7.254 2.728 -2.180 1.00 0.00 H new ATOM 0 H1' A A 5 5.013 0.632 -1.012 1.00 0.00 H new ATOM 0 H8 A A 5 4.080 1.627 2.437 1.00 0.00 H new ATOM 0 H61 A A 5 -1.710 2.521 0.321 1.00 0.00 H new ATOM 0 H62 A A 5 -0.701 2.375 1.764 1.00 0.00 H new ATOM 0 H2 A A 5 1.010 2.107 -3.225 1.00 0.00 H new ATOM 167 P C A 6 7.692 5.649 -0.369 1.00 0.00 P ATOM 168 OP1 C A 6 8.929 6.135 -1.023 1.00 0.00 O ATOM 169 OP2 C A 6 7.379 6.094 1.007 1.00 0.00 O ATOM 170 O5' C A 6 6.429 6.019 -1.313 1.00 0.00 O ATOM 171 C5' C A 6 6.460 5.875 -2.728 1.00 0.00 C ATOM 172 C4' C A 6 5.063 6.076 -3.338 1.00 0.00 C ATOM 173 O4' C A 6 4.152 5.122 -2.823 1.00 0.00 O ATOM 174 C3' C A 6 4.439 7.438 -3.024 1.00 0.00 C ATOM 175 O3' C A 6 4.945 8.475 -3.858 1.00 0.00 O ATOM 176 C2' C A 6 2.947 7.149 -3.205 1.00 0.00 C ATOM 177 O2' C A 6 2.494 7.325 -4.537 1.00 0.00 O ATOM 178 C1' C A 6 2.839 5.666 -2.802 1.00 0.00 C ATOM 179 N1 C A 6 2.166 5.532 -1.467 1.00 0.00 N ATOM 180 C2 C A 6 0.757 5.631 -1.417 1.00 0.00 C ATOM 181 O2 C A 6 0.082 5.803 -2.434 1.00 0.00 O ATOM 182 N3 C A 6 0.133 5.534 -0.199 1.00 0.00 N ATOM 183 C4 C A 6 0.831 5.351 0.942 1.00 0.00 C ATOM 184 N4 C A 6 0.160 5.254 2.099 1.00 0.00 N ATOM 185 C5 C A 6 2.273 5.248 0.917 1.00 0.00 C ATOM 186 C6 C A 6 2.888 5.344 -0.294 1.00 0.00 C ATOM 0 H5' C A 6 6.834 4.884 -2.987 1.00 0.00 H new ATOM 0 H5'' C A 6 7.154 6.599 -3.155 1.00 0.00 H new ATOM 0 H4' C A 6 5.221 5.981 -4.412 1.00 0.00 H new ATOM 0 H3' C A 6 4.671 7.821 -2.030 1.00 0.00 H new ATOM 0 H2' C A 6 2.332 7.831 -2.617 1.00 0.00 H new ATOM 0 HO2' C A 6 3.149 7.854 -5.038 1.00 0.00 H new ATOM 0 H1' C A 6 2.217 5.107 -3.501 1.00 0.00 H new ATOM 0 H41 C A 6 0.668 5.116 2.973 1.00 0.00 H new ATOM 0 H42 C A 6 -0.858 5.319 2.105 1.00 0.00 H new ATOM 0 H5 C A 6 2.840 5.101 1.824 1.00 0.00 H new ATOM 0 H6 C A 6 3.964 5.272 -0.345 1.00 0.00 H new ATOM 198 P A A 7 5.582 9.843 -3.260 1.00 0.00 P ATOM 199 OP1 A A 7 5.666 10.827 -4.364 1.00 0.00 O ATOM 200 OP2 A A 7 6.805 9.486 -2.507 1.00 0.00 O ATOM 201 O5' A A 7 4.482 10.368 -2.193 1.00 0.00 O ATOM 202 C5' A A 7 3.144 10.677 -2.559 1.00 0.00 C ATOM 203 C4' A A 7 2.244 10.774 -1.317 1.00 0.00 C ATOM 204 O4' A A 7 2.364 9.588 -0.540 1.00 0.00 O ATOM 205 C3' A A 7 2.590 11.964 -0.402 1.00 0.00 C ATOM 206 O3' A A 7 1.390 12.630 -0.023 1.00 0.00 O ATOM 207 C2' A A 7 3.270 11.276 0.783 1.00 0.00 C ATOM 208 O2' A A 7 3.201 11.999 2.000 1.00 0.00 O ATOM 209 C1' A A 7 2.520 9.948 0.821 1.00 0.00 C ATOM 210 N9 A A 7 3.273 8.925 1.593 1.00 0.00 N ATOM 211 C8 A A 7 4.215 8.032 1.142 1.00 0.00 C ATOM 212 N7 A A 7 4.720 7.266 2.068 1.00 0.00 N ATOM 213 C5 A A 7 4.075 7.674 3.232 1.00 0.00 C ATOM 214 C6 A A 7 4.156 7.259 4.595 1.00 0.00 C ATOM 215 N6 A A 7 4.971 6.281 5.018 1.00 0.00 N ATOM 216 N1 A A 7 3.373 7.882 5.516 1.00 0.00 N ATOM 217 C2 A A 7 2.557 8.866 5.109 1.00 0.00 C ATOM 218 N3 A A 7 2.394 9.345 3.867 1.00 0.00 N ATOM 219 C4 A A 7 3.189 8.698 2.951 1.00 0.00 C ATOM 0 H5' A A 7 2.760 9.910 -3.232 1.00 0.00 H new ATOM 0 H5'' A A 7 3.121 11.620 -3.105 1.00 0.00 H new ATOM 0 H4' A A 7 1.231 10.915 -1.693 1.00 0.00 H new ATOM 0 H3' A A 7 3.221 12.729 -0.855 1.00 0.00 H new ATOM 0 H2' A A 7 4.349 11.178 0.664 1.00 0.00 H new ATOM 0 HO2' A A 7 3.011 11.382 2.737 1.00 0.00 H new ATOM 0 H1' A A 7 1.557 10.026 1.327 1.00 0.00 H new ATOM 0 H8 A A 7 4.512 7.970 0.106 1.00 0.00 H new ATOM 0 H61 A A 7 4.990 6.024 6.005 1.00 0.00 H new ATOM 0 H62 A A 7 5.572 5.795 4.353 1.00 0.00 H new ATOM 0 H2 A A 7 1.957 9.330 5.877 1.00 0.00 H new ATOM 231 P U A 8 0.836 13.940 -0.794 1.00 0.00 P ATOM 232 OP1 U A 8 1.237 13.891 -2.220 1.00 0.00 O ATOM 233 OP2 U A 8 1.181 15.124 0.024 1.00 0.00 O ATOM 234 O5' U A 8 -0.758 13.717 -0.692 1.00 0.00 O ATOM 235 C5' U A 8 -1.454 12.780 -1.503 1.00 0.00 C ATOM 236 C4' U A 8 -2.952 12.723 -1.163 1.00 0.00 C ATOM 237 O4' U A 8 -3.110 12.014 0.048 1.00 0.00 O ATOM 238 C3' U A 8 -3.605 14.118 -0.993 1.00 0.00 C ATOM 239 O3' U A 8 -4.922 14.231 -1.534 1.00 0.00 O ATOM 240 C2' U A 8 -3.605 14.244 0.541 1.00 0.00 C ATOM 241 O2' U A 8 -4.581 15.123 1.071 1.00 0.00 O ATOM 242 C1' U A 8 -3.827 12.795 0.979 1.00 0.00 C ATOM 243 N1 U A 8 -3.354 12.487 2.365 1.00 0.00 N ATOM 244 C2 U A 8 -4.309 12.312 3.391 1.00 0.00 C ATOM 245 O2 U A 8 -5.523 12.424 3.218 1.00 0.00 O ATOM 246 N3 U A 8 -3.811 11.989 4.660 1.00 0.00 N ATOM 247 C4 U A 8 -2.459 11.824 4.987 1.00 0.00 C ATOM 248 O4 U A 8 -2.128 11.543 6.136 1.00 0.00 O ATOM 249 C5 U A 8 -1.541 12.014 3.867 1.00 0.00 C ATOM 250 C6 U A 8 -1.998 12.329 2.626 1.00 0.00 C ATOM 0 H5' U A 8 -1.015 11.791 -1.372 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.331 13.047 -2.553 1.00 0.00 H new ATOM 0 H4' U A 8 -3.448 12.234 -2.001 1.00 0.00 H new ATOM 0 H3' U A 8 -3.074 14.902 -1.532 1.00 0.00 H new ATOM 0 H2' U A 8 -2.684 14.695 0.912 1.00 0.00 H new ATOM 0 HO2' U A 8 -5.302 15.243 0.418 1.00 0.00 H new ATOM 0 H1' U A 8 -4.897 12.588 1.001 1.00 0.00 H new ATOM 0 H3 U A 8 -4.491 11.863 5.410 1.00 0.00 H new ATOM 0 H5 U A 8 -0.479 11.902 4.028 1.00 0.00 H new ATOM 0 H6 U A 8 -1.289 12.460 1.822 1.00 0.00 H new ATOM 261 P A A 9 -5.345 13.831 -3.058 1.00 0.00 P ATOM 262 OP1 A A 9 -4.140 13.766 -3.917 1.00 0.00 O ATOM 263 OP2 A A 9 -6.485 14.688 -3.458 1.00 0.00 O ATOM 264 O5' A A 9 -5.890 12.323 -2.829 1.00 0.00 O ATOM 265 C5' A A 9 -6.932 12.050 -1.904 1.00 0.00 C ATOM 266 C4' A A 9 -6.831 10.629 -1.352 1.00 0.00 C ATOM 267 O4' A A 9 -5.586 10.461 -0.716 1.00 0.00 O ATOM 268 C3' A A 9 -7.873 10.339 -0.257 1.00 0.00 C ATOM 269 O3' A A 9 -8.978 9.663 -0.843 1.00 0.00 O ATOM 270 C2' A A 9 -7.066 9.541 0.790 1.00 0.00 C ATOM 271 O2' A A 9 -7.635 8.323 1.224 1.00 0.00 O ATOM 272 C1' A A 9 -5.720 9.326 0.104 1.00 0.00 C ATOM 273 N9 A A 9 -4.537 9.170 0.978 1.00 0.00 N ATOM 274 C8 A A 9 -4.391 9.114 2.342 1.00 0.00 C ATOM 275 N7 A A 9 -3.164 8.925 2.748 1.00 0.00 N ATOM 276 C5 A A 9 -2.433 8.840 1.568 1.00 0.00 C ATOM 277 C6 A A 9 -1.055 8.648 1.254 1.00 0.00 C ATOM 278 N6 A A 9 -0.121 8.487 2.199 1.00 0.00 N ATOM 279 N1 A A 9 -0.675 8.624 -0.057 1.00 0.00 N ATOM 280 C2 A A 9 -1.626 8.781 -0.995 1.00 0.00 C ATOM 281 N3 A A 9 -2.930 8.962 -0.827 1.00 0.00 N ATOM 282 C4 A A 9 -3.278 8.983 0.491 1.00 0.00 C ATOM 0 H5' A A 9 -7.898 12.185 -2.392 1.00 0.00 H new ATOM 0 H5'' A A 9 -6.887 12.765 -1.082 1.00 0.00 H new ATOM 0 H4' A A 9 -6.981 9.967 -2.205 1.00 0.00 H new ATOM 0 H3' A A 9 -8.328 11.205 0.223 1.00 0.00 H new ATOM 0 H2' A A 9 -7.017 10.096 1.727 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.187 7.575 0.776 1.00 0.00 H new ATOM 0 H1' A A 9 -5.735 8.368 -0.416 1.00 0.00 H new ATOM 0 H8 A A 9 -5.222 9.218 3.023 1.00 0.00 H new ATOM 0 H61 A A 9 0.855 8.352 1.934 1.00 0.00 H new ATOM 0 H62 A A 9 -0.385 8.499 3.184 1.00 0.00 H new ATOM 0 H2 A A 9 -1.284 8.757 -2.019 1.00 0.00 H new ATOM 294 P G A 10 -10.489 9.769 -0.262 1.00 0.00 P ATOM 295 OP1 G A 10 -10.942 11.168 -0.434 1.00 0.00 O ATOM 296 OP2 G A 10 -10.529 9.151 1.083 1.00 0.00 O ATOM 297 O5' G A 10 -11.356 8.846 -1.282 1.00 0.00 O ATOM 298 C5' G A 10 -11.255 7.428 -1.364 1.00 0.00 C ATOM 299 C4' G A 10 -9.978 6.950 -2.080 1.00 0.00 C ATOM 300 O4' G A 10 -8.865 6.922 -1.217 1.00 0.00 O ATOM 301 C3' G A 10 -10.049 5.492 -2.576 1.00 0.00 C ATOM 302 O3' G A 10 -10.725 5.251 -3.817 1.00 0.00 O ATOM 303 C2' G A 10 -8.591 4.992 -2.492 1.00 0.00 C ATOM 304 O2' G A 10 -8.004 4.607 -3.719 1.00 0.00 O ATOM 305 C1' G A 10 -7.858 6.193 -1.889 1.00 0.00 C ATOM 306 N9 G A 10 -6.775 5.823 -0.945 1.00 0.00 N ATOM 307 C8 G A 10 -6.878 5.438 0.371 1.00 0.00 C ATOM 308 N7 G A 10 -5.738 5.229 0.964 1.00 0.00 N ATOM 309 C5 G A 10 -4.795 5.489 -0.024 1.00 0.00 C ATOM 310 C6 G A 10 -3.360 5.421 0.033 1.00 0.00 C ATOM 311 O6 G A 10 -2.661 5.110 0.996 1.00 0.00 O ATOM 312 N1 G A 10 -2.747 5.749 -1.188 1.00 0.00 N ATOM 313 C2 G A 10 -3.454 6.116 -2.335 1.00 0.00 C ATOM 314 N2 G A 10 -2.732 6.412 -3.424 1.00 0.00 N ATOM 315 N3 G A 10 -4.805 6.183 -2.382 1.00 0.00 N ATOM 316 C4 G A 10 -5.423 5.855 -1.201 1.00 0.00 C ATOM 0 H5' G A 10 -12.126 7.038 -1.890 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.277 7.010 -0.358 1.00 0.00 H new ATOM 0 H4' G A 10 -9.886 7.661 -2.901 1.00 0.00 H new ATOM 0 H3' G A 10 -10.718 4.907 -1.945 1.00 0.00 H new ATOM 0 H2' G A 10 -8.535 4.072 -1.910 1.00 0.00 H new ATOM 0 HO2' G A 10 -8.691 4.585 -4.418 1.00 0.00 H new ATOM 0 H1' G A 10 -7.354 6.759 -2.673 1.00 0.00 H new ATOM 0 H8 G A 10 -7.827 5.319 0.872 1.00 0.00 H new ATOM 0 H1 G A 10 -1.729 5.717 -1.239 1.00 0.00 H new ATOM 0 H21 G A 10 -3.201 6.686 -4.288 1.00 0.00 H new ATOM 0 H22 G A 10 -1.714 6.363 -3.389 1.00 0.00 H new ATOM 328 P A A 11 -10.812 6.279 -5.081 1.00 0.00 P ATOM 329 OP1 A A 11 -11.657 7.430 -4.690 1.00 0.00 O ATOM 330 OP2 A A 11 -11.194 5.472 -6.262 1.00 0.00 O ATOM 331 O5' A A 11 -9.298 6.813 -5.319 1.00 0.00 O ATOM 332 C5' A A 11 -8.991 7.774 -6.321 1.00 0.00 C ATOM 333 C4' A A 11 -7.546 7.690 -6.851 1.00 0.00 C ATOM 334 O4' A A 11 -6.705 8.595 -6.170 1.00 0.00 O ATOM 335 C3' A A 11 -6.830 6.324 -6.757 1.00 0.00 C ATOM 336 O3' A A 11 -6.866 5.624 -7.999 1.00 0.00 O ATOM 337 C2' A A 11 -5.419 6.700 -6.272 1.00 0.00 C ATOM 338 O2' A A 11 -4.350 6.043 -6.929 1.00 0.00 O ATOM 339 C1' A A 11 -5.380 8.208 -6.475 1.00 0.00 C ATOM 340 N9 A A 11 -4.397 8.850 -5.573 1.00 0.00 N ATOM 341 C8 A A 11 -4.602 9.317 -4.303 1.00 0.00 C ATOM 342 N7 A A 11 -3.544 9.836 -3.743 1.00 0.00 N ATOM 343 C5 A A 11 -2.547 9.692 -4.708 1.00 0.00 C ATOM 344 C6 A A 11 -1.159 10.030 -4.758 1.00 0.00 C ATOM 345 N6 A A 11 -0.503 10.621 -3.752 1.00 0.00 N ATOM 346 N1 A A 11 -0.452 9.743 -5.885 1.00 0.00 N ATOM 347 C2 A A 11 -1.085 9.152 -6.909 1.00 0.00 C ATOM 348 N3 A A 11 -2.373 8.785 -6.986 1.00 0.00 N ATOM 349 C4 A A 11 -3.068 9.085 -5.838 1.00 0.00 C ATOM 0 H5' A A 11 -9.161 8.772 -5.917 1.00 0.00 H new ATOM 0 H5'' A A 11 -9.681 7.646 -7.155 1.00 0.00 H new ATOM 0 H4' A A 11 -7.691 7.914 -7.908 1.00 0.00 H new ATOM 0 H3' A A 11 -7.304 5.618 -6.075 1.00 0.00 H new ATOM 0 H2' A A 11 -5.265 6.381 -5.241 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.701 5.514 -7.676 1.00 0.00 H new ATOM 0 H1' A A 11 -5.068 8.504 -7.476 1.00 0.00 H new ATOM 0 H8 A A 11 -5.559 9.261 -3.806 1.00 0.00 H new ATOM 0 H61 A A 11 0.489 10.838 -3.848 1.00 0.00 H new ATOM 0 H62 A A 11 -0.995 10.855 -2.890 1.00 0.00 H new ATOM 0 H2 A A 11 -0.482 8.946 -7.781 1.00 0.00 H new ATOM 361 P U A 12 -8.100 4.657 -8.428 1.00 0.00 P ATOM 362 OP1 U A 12 -7.636 3.797 -9.540 1.00 0.00 O ATOM 363 OP2 U A 12 -9.300 5.500 -8.623 1.00 0.00 O ATOM 364 O5' U A 12 -8.346 3.731 -7.107 1.00 0.00 O ATOM 365 C5' U A 12 -7.640 2.523 -6.843 1.00 0.00 C ATOM 366 C4' U A 12 -6.111 2.690 -6.766 1.00 0.00 C ATOM 367 O4' U A 12 -5.699 3.484 -5.665 1.00 0.00 O ATOM 368 C3' U A 12 -5.381 1.364 -6.550 1.00 0.00 C ATOM 369 O3' U A 12 -5.391 0.540 -7.711 1.00 0.00 O ATOM 370 C2' U A 12 -4.003 1.889 -6.141 1.00 0.00 C ATOM 371 O2' U A 12 -3.200 2.297 -7.238 1.00 0.00 O ATOM 372 C1' U A 12 -4.378 3.102 -5.276 1.00 0.00 C ATOM 373 N1 U A 12 -4.254 2.819 -3.806 1.00 0.00 N ATOM 374 C2 U A 12 -2.965 2.858 -3.227 1.00 0.00 C ATOM 375 O2 U A 12 -1.935 3.095 -3.862 1.00 0.00 O ATOM 376 N3 U A 12 -2.885 2.610 -1.852 1.00 0.00 N ATOM 377 C4 U A 12 -3.967 2.334 -1.011 1.00 0.00 C ATOM 378 O4 U A 12 -3.785 2.137 0.187 1.00 0.00 O ATOM 379 C5 U A 12 -5.261 2.313 -1.684 1.00 0.00 C ATOM 380 C6 U A 12 -5.368 2.547 -3.021 1.00 0.00 C ATOM 0 H5' U A 12 -7.876 1.799 -7.623 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.997 2.105 -5.902 1.00 0.00 H new ATOM 0 H4' U A 12 -5.863 3.149 -7.723 1.00 0.00 H new ATOM 0 H3' U A 12 -5.824 0.691 -5.816 1.00 0.00 H new ATOM 0 H2' U A 12 -3.402 1.127 -5.645 1.00 0.00 H new ATOM 0 HO2' U A 12 -3.537 1.886 -8.061 1.00 0.00 H new ATOM 0 H1' U A 12 -3.685 3.926 -5.442 1.00 0.00 H new ATOM 0 H3 U A 12 -1.958 2.633 -1.427 1.00 0.00 H new ATOM 0 H5 U A 12 -6.152 2.108 -1.110 1.00 0.00 H new ATOM 0 H6 U A 12 -6.344 2.521 -3.483 1.00 0.00 H new ATOM 391 P C A 13 -5.231 -1.074 -7.638 1.00 0.00 P ATOM 392 OP1 C A 13 -5.359 -1.607 -9.015 1.00 0.00 O ATOM 393 OP2 C A 13 -6.127 -1.589 -6.577 1.00 0.00 O ATOM 394 O5' C A 13 -3.705 -1.286 -7.139 1.00 0.00 O ATOM 395 C5' C A 13 -2.588 -1.044 -7.981 1.00 0.00 C ATOM 396 C4' C A 13 -1.266 -1.148 -7.205 1.00 0.00 C ATOM 397 O4' C A 13 -1.198 -0.194 -6.156 1.00 0.00 O ATOM 398 C3' C A 13 -1.035 -2.500 -6.523 1.00 0.00 C ATOM 399 O3' C A 13 -0.670 -3.523 -7.445 1.00 0.00 O ATOM 400 C2' C A 13 0.053 -2.115 -5.520 1.00 0.00 C ATOM 401 O2' C A 13 1.354 -2.061 -6.081 1.00 0.00 O ATOM 402 C1' C A 13 -0.398 -0.707 -5.091 1.00 0.00 C ATOM 403 N1 C A 13 -1.117 -0.745 -3.770 1.00 0.00 N ATOM 404 C2 C A 13 -0.353 -0.912 -2.590 1.00 0.00 C ATOM 405 O2 C A 13 0.873 -1.036 -2.619 1.00 0.00 O ATOM 406 N3 C A 13 -1.004 -0.938 -1.381 1.00 0.00 N ATOM 407 C4 C A 13 -2.344 -0.816 -1.293 1.00 0.00 C ATOM 408 N4 C A 13 -2.914 -0.851 -0.082 1.00 0.00 N ATOM 409 C5 C A 13 -3.149 -0.655 -2.484 1.00 0.00 C ATOM 410 C6 C A 13 -2.499 -0.626 -3.680 1.00 0.00 C ATOM 0 H5' C A 13 -2.674 -0.052 -8.425 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.587 -1.762 -8.802 1.00 0.00 H new ATOM 0 H4' C A 13 -0.514 -0.986 -7.977 1.00 0.00 H new ATOM 0 H3' C A 13 -1.912 -2.947 -6.055 1.00 0.00 H new ATOM 0 H2' C A 13 0.143 -2.845 -4.715 1.00 0.00 H new ATOM 0 HO2' C A 13 1.348 -2.490 -6.962 1.00 0.00 H new ATOM 0 H1' C A 13 0.452 -0.045 -4.924 1.00 0.00 H new ATOM 0 H41 C A 13 -3.926 -0.761 0.008 1.00 0.00 H new ATOM 0 H42 C A 13 -2.336 -0.968 0.750 1.00 0.00 H new ATOM 0 H5 C A 13 -4.223 -0.561 -2.427 1.00 0.00 H new ATOM 0 H6 C A 13 -3.075 -0.507 -4.586 1.00 0.00 H new ATOM 422 P U A 14 -0.936 -5.101 -7.155 1.00 0.00 P ATOM 423 OP1 U A 14 -0.495 -5.862 -8.346 1.00 0.00 O ATOM 424 OP2 U A 14 -2.325 -5.260 -6.669 1.00 0.00 O ATOM 425 O5' U A 14 0.058 -5.447 -5.924 1.00 0.00 O ATOM 426 C5' U A 14 1.468 -5.531 -6.077 1.00 0.00 C ATOM 427 C4' U A 14 2.183 -5.589 -4.718 1.00 0.00 C ATOM 428 O4' U A 14 1.886 -4.447 -3.926 1.00 0.00 O ATOM 429 C3' U A 14 1.808 -6.787 -3.838 1.00 0.00 C ATOM 430 O3' U A 14 2.404 -8.010 -4.263 1.00 0.00 O ATOM 431 C2' U A 14 2.292 -6.282 -2.475 1.00 0.00 C ATOM 432 O2' U A 14 3.692 -6.405 -2.284 1.00 0.00 O ATOM 433 C1' U A 14 1.900 -4.799 -2.543 1.00 0.00 C ATOM 434 N1 U A 14 0.588 -4.563 -1.847 1.00 0.00 N ATOM 435 C2 U A 14 0.593 -4.463 -0.438 1.00 0.00 C ATOM 436 O2 U A 14 1.611 -4.572 0.247 1.00 0.00 O ATOM 437 N3 U A 14 -0.641 -4.241 0.182 1.00 0.00 N ATOM 438 C4 U A 14 -1.871 -4.127 -0.471 1.00 0.00 C ATOM 439 O4 U A 14 -2.900 -3.938 0.173 1.00 0.00 O ATOM 440 C5 U A 14 -1.793 -4.252 -1.922 1.00 0.00 C ATOM 441 C6 U A 14 -0.605 -4.463 -2.551 1.00 0.00 C ATOM 0 H5' U A 14 1.825 -4.669 -6.640 1.00 0.00 H new ATOM 0 H5'' U A 14 1.719 -6.418 -6.659 1.00 0.00 H new ATOM 0 H4' U A 14 3.234 -5.657 -5.000 1.00 0.00 H new ATOM 0 H3' U A 14 0.753 -7.060 -3.857 1.00 0.00 H new ATOM 0 H2' U A 14 1.862 -6.850 -1.649 1.00 0.00 H new ATOM 0 HO2' U A 14 3.932 -6.064 -1.397 1.00 0.00 H new ATOM 0 H1' U A 14 2.611 -4.161 -2.019 1.00 0.00 H new ATOM 0 H3 U A 14 -0.643 -4.155 1.198 1.00 0.00 H new ATOM 0 H5 U A 14 -2.696 -4.176 -2.509 1.00 0.00 H new ATOM 0 H6 U A 14 -0.589 -4.555 -3.627 1.00 0.00 H new ATOM 452 P U A 15 1.815 -9.465 -3.837 1.00 0.00 P ATOM 453 OP1 U A 15 2.648 -10.500 -4.490 1.00 0.00 O ATOM 454 OP2 U A 15 0.352 -9.462 -4.068 1.00 0.00 O ATOM 455 O5' U A 15 2.057 -9.543 -2.235 1.00 0.00 O ATOM 456 C5' U A 15 3.345 -9.710 -1.662 1.00 0.00 C ATOM 457 C4' U A 15 3.325 -9.503 -0.138 1.00 0.00 C ATOM 458 O4' U A 15 2.837 -8.215 0.222 1.00 0.00 O ATOM 459 C3' U A 15 2.440 -10.487 0.636 1.00 0.00 C ATOM 460 O3' U A 15 3.012 -11.785 0.760 1.00 0.00 O ATOM 461 C2' U A 15 2.304 -9.731 1.961 1.00 0.00 C ATOM 462 O2' U A 15 3.442 -9.837 2.804 1.00 0.00 O ATOM 463 C1' U A 15 2.151 -8.289 1.473 1.00 0.00 C ATOM 464 N1 U A 15 0.708 -7.880 1.394 1.00 0.00 N ATOM 465 C2 U A 15 0.072 -7.453 2.582 1.00 0.00 C ATOM 466 O2 U A 15 0.627 -7.420 3.682 1.00 0.00 O ATOM 467 N3 U A 15 -1.266 -7.062 2.472 1.00 0.00 N ATOM 468 C4 U A 15 -2.024 -7.076 1.299 1.00 0.00 C ATOM 469 O4 U A 15 -3.199 -6.717 1.319 1.00 0.00 O ATOM 470 C5 U A 15 -1.299 -7.540 0.122 1.00 0.00 C ATOM 471 C6 U A 15 0.005 -7.918 0.198 1.00 0.00 C ATOM 0 H5' U A 15 4.039 -9.002 -2.116 1.00 0.00 H new ATOM 0 H5'' U A 15 3.716 -10.710 -1.888 1.00 0.00 H new ATOM 0 H4' U A 15 4.371 -9.651 0.131 1.00 0.00 H new ATOM 0 H3' U A 15 1.490 -10.726 0.158 1.00 0.00 H new ATOM 0 H2' U A 15 1.488 -10.118 2.571 1.00 0.00 H new ATOM 0 HO2' U A 15 3.287 -9.331 3.629 1.00 0.00 H new ATOM 0 H1' U A 15 2.589 -7.578 2.174 1.00 0.00 H new ATOM 0 H3 U A 15 -1.728 -6.739 3.322 1.00 0.00 H new ATOM 0 H5 U A 15 -1.808 -7.584 -0.829 1.00 0.00 H new ATOM 0 H6 U A 15 0.507 -8.257 -0.696 1.00 0.00 H new ATOM 482 P C A 16 2.127 -13.099 1.128 1.00 0.00 P ATOM 483 OP1 C A 16 3.043 -14.261 1.181 1.00 0.00 O ATOM 484 OP2 C A 16 0.960 -13.141 0.218 1.00 0.00 O ATOM 485 O5' C A 16 1.570 -12.810 2.624 1.00 0.00 O ATOM 486 C5' C A 16 2.399 -12.860 3.777 1.00 0.00 C ATOM 487 C4' C A 16 1.674 -12.324 5.024 1.00 0.00 C ATOM 488 O4' C A 16 1.206 -10.993 4.845 1.00 0.00 O ATOM 489 C3' C A 16 0.432 -13.125 5.427 1.00 0.00 C ATOM 490 O3' C A 16 0.738 -14.356 6.059 1.00 0.00 O ATOM 491 C2' C A 16 -0.293 -12.112 6.319 1.00 0.00 C ATOM 492 O2' C A 16 0.210 -12.051 7.646 1.00 0.00 O ATOM 493 C1' C A 16 0.004 -10.786 5.590 1.00 0.00 C ATOM 494 N1 C A 16 -1.166 -10.377 4.736 1.00 0.00 N ATOM 495 C2 C A 16 -2.297 -9.799 5.367 1.00 0.00 C ATOM 496 O2 C A 16 -2.341 -9.611 6.585 1.00 0.00 O ATOM 497 N3 C A 16 -3.377 -9.447 4.593 1.00 0.00 N ATOM 498 C4 C A 16 -3.384 -9.641 3.258 1.00 0.00 C ATOM 499 N4 C A 16 -4.468 -9.277 2.560 1.00 0.00 N ATOM 500 C5 C A 16 -2.244 -10.231 2.590 1.00 0.00 C ATOM 501 C6 C A 16 -1.176 -10.576 3.362 1.00 0.00 C ATOM 0 H5' C A 16 3.302 -12.275 3.602 1.00 0.00 H new ATOM 0 H5'' C A 16 2.715 -13.888 3.954 1.00 0.00 H new ATOM 0 H4' C A 16 2.440 -12.398 5.796 1.00 0.00 H new ATOM 0 H3' C A 16 -0.174 -13.470 4.589 1.00 0.00 H new ATOM 0 H2' C A 16 -1.347 -12.362 6.444 1.00 0.00 H new ATOM 0 HO2' C A 16 0.745 -12.851 7.830 1.00 0.00 H new ATOM 0 HO3' C A 16 -0.093 -14.819 6.293 1.00 0.00 H new ATOM 0 H1' C A 16 0.149 -9.959 6.285 1.00 0.00 H new ATOM 0 H41 C A 16 -4.494 -9.415 1.550 1.00 0.00 H new ATOM 0 H42 C A 16 -5.267 -8.862 3.039 1.00 0.00 H new ATOM 0 H5 C A 16 -2.240 -10.391 1.522 1.00 0.00 H new ATOM 0 H6 C A 16 -0.310 -11.018 2.891 1.00 0.00 H new TER 514 C A 16