USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -17:sc= 0.0841 USER MOD Single : A 1 G O5' : rot 180:sc= -0.981 USER MOD Single : A 2 G O2' : rot -9:sc= 0.131 USER MOD Single : A 3 A O2' : rot -21:sc= 0.0896 USER MOD Single : A 4 G O2' : rot -72:sc= 0.467 USER MOD Single : A 5 A O2' : rot -25:sc= 0.133 USER MOD Single : A 6 G O2' : rot -95:sc= 1.15 USER MOD Single : A 7 H2U O2' : rot 180:sc= -0.0412 USER MOD Single : A 8 G O2' : rot -14:sc= 0.188 USER MOD Single : A 9 G O2' : rot -10:sc= 0.267 USER MOD Single : A 10 A O2' : rot -69:sc= 0.463 USER MOD Single : A 11 A O2' : rot 10:sc= -2.71! USER MOD Single : A 12 C O2' : rot -28:sc= 0.141 USER MOD Single : A 13 U O2' : rot 180:sc= -2.15! USER MOD Single : A 14 C O2' : rot -19:sc= 0.196 USER MOD Single : A 15 C O2' : rot -19:sc= 0.187 USER MOD Single : A 15 C O3' : rot 180:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.332 18.039 18.964 1.00 0.00 O ATOM 2 C5' G A 1 23.821 18.244 17.644 1.00 0.00 C ATOM 3 C4' G A 1 22.819 19.392 17.584 1.00 0.00 C ATOM 4 O4' G A 1 21.764 19.192 18.528 1.00 0.00 O ATOM 5 C3' G A 1 23.472 20.731 17.910 1.00 0.00 C ATOM 6 O3' G A 1 24.077 21.333 16.761 1.00 0.00 O ATOM 7 C2' G A 1 22.274 21.523 18.421 1.00 0.00 C ATOM 8 O2' G A 1 21.494 22.073 17.356 1.00 0.00 O ATOM 9 C1' G A 1 21.509 20.441 19.176 1.00 0.00 C ATOM 10 N9 G A 1 21.937 20.387 20.587 1.00 0.00 N ATOM 11 C8 G A 1 22.876 19.574 21.166 1.00 0.00 C ATOM 12 N7 G A 1 23.053 19.772 22.444 1.00 0.00 N ATOM 13 C5 G A 1 22.159 20.798 22.733 1.00 0.00 C ATOM 14 C6 G A 1 21.903 21.441 23.972 1.00 0.00 C ATOM 15 O6 G A 1 22.429 21.231 25.063 1.00 0.00 O ATOM 16 N1 G A 1 20.928 22.421 23.849 1.00 0.00 N ATOM 17 C2 G A 1 20.280 22.741 22.671 1.00 0.00 C ATOM 18 N2 G A 1 19.370 23.713 22.732 1.00 0.00 N ATOM 19 N3 G A 1 20.524 22.138 21.501 1.00 0.00 N ATOM 20 C4 G A 1 21.472 21.177 21.611 1.00 0.00 C ATOM 0 H5' G A 1 23.343 17.329 17.296 1.00 0.00 H new ATOM 0 H5'' G A 1 24.648 18.450 16.964 1.00 0.00 H new ATOM 0 H4' G A 1 22.432 19.408 16.565 1.00 0.00 H new ATOM 0 H3' G A 1 24.297 20.666 18.620 1.00 0.00 H new ATOM 0 H2' G A 1 22.543 22.391 19.023 1.00 0.00 H new ATOM 0 HO2' G A 1 22.022 22.073 16.530 1.00 0.00 H new ATOM 0 HO5' G A 1 24.968 17.294 18.956 1.00 0.00 H new ATOM 0 H1' G A 1 20.442 20.662 19.167 1.00 0.00 H new ATOM 0 H8 G A 1 23.426 18.829 20.610 1.00 0.00 H new ATOM 0 H1 G A 1 20.671 22.942 24.688 1.00 0.00 H new ATOM 0 H21 G A 1 18.862 23.989 21.892 1.00 0.00 H new ATOM 0 H22 G A 1 19.182 24.180 23.619 1.00 0.00 H new ATOM 33 P G A 2 25.380 22.264 16.919 1.00 0.00 P ATOM 34 OP1 G A 2 25.705 22.835 15.593 1.00 0.00 O ATOM 35 OP2 G A 2 26.426 21.510 17.646 1.00 0.00 O ATOM 36 O5' G A 2 24.837 23.441 17.874 1.00 0.00 O ATOM 37 C5' G A 2 23.897 24.403 17.388 1.00 0.00 C ATOM 38 C4' G A 2 23.166 25.129 18.513 1.00 0.00 C ATOM 39 O4' G A 2 22.642 24.202 19.470 1.00 0.00 O ATOM 40 C3' G A 2 24.113 26.070 19.249 1.00 0.00 C ATOM 41 O3' G A 2 24.166 27.361 18.634 1.00 0.00 O ATOM 42 C2' G A 2 23.479 26.128 20.635 1.00 0.00 C ATOM 43 O2' G A 2 22.509 27.174 20.734 1.00 0.00 O ATOM 44 C1' G A 2 22.840 24.750 20.776 1.00 0.00 C ATOM 45 N9 G A 2 23.705 23.887 21.602 1.00 0.00 N ATOM 46 C8 G A 2 24.353 22.726 21.268 1.00 0.00 C ATOM 47 N7 G A 2 25.081 22.223 22.225 1.00 0.00 N ATOM 48 C5 G A 2 24.899 23.118 23.275 1.00 0.00 C ATOM 49 C6 G A 2 25.445 23.102 24.584 1.00 0.00 C ATOM 50 O6 G A 2 26.210 22.280 25.084 1.00 0.00 O ATOM 51 N1 G A 2 25.019 24.191 25.332 1.00 0.00 N ATOM 52 C2 G A 2 24.160 25.174 24.881 1.00 0.00 C ATOM 53 N2 G A 2 23.839 26.136 25.746 1.00 0.00 N ATOM 54 N3 G A 2 23.645 25.192 23.645 1.00 0.00 N ATOM 55 C4 G A 2 24.057 24.135 22.906 1.00 0.00 C ATOM 0 H5' G A 2 23.169 23.903 16.749 1.00 0.00 H new ATOM 0 H5'' G A 2 24.417 25.133 16.768 1.00 0.00 H new ATOM 0 H4' G A 2 22.352 25.690 18.054 1.00 0.00 H new ATOM 0 H3' G A 2 25.150 25.735 19.253 1.00 0.00 H new ATOM 0 H2' G A 2 24.198 26.349 21.423 1.00 0.00 H new ATOM 0 HO2' G A 2 22.551 27.736 19.932 1.00 0.00 H new ATOM 0 H1' G A 2 21.873 24.823 21.273 1.00 0.00 H new ATOM 0 H8 G A 2 24.267 22.267 20.294 1.00 0.00 H new ATOM 0 H1 G A 2 25.367 24.271 26.287 1.00 0.00 H new ATOM 0 H21 G A 2 23.208 26.886 25.464 1.00 0.00 H new ATOM 0 H22 G A 2 24.224 26.122 26.690 1.00 0.00 H new ATOM 67 P A A 3 25.332 28.403 19.014 1.00 0.00 P ATOM 68 OP1 A A 3 25.377 29.455 17.974 1.00 0.00 O ATOM 69 OP2 A A 3 26.566 27.644 19.318 1.00 0.00 O ATOM 70 O5' A A 3 24.784 29.064 20.376 1.00 0.00 O ATOM 71 C5' A A 3 23.863 30.156 20.338 1.00 0.00 C ATOM 72 C4' A A 3 23.622 30.769 21.714 1.00 0.00 C ATOM 73 O4' A A 3 23.122 29.791 22.629 1.00 0.00 O ATOM 74 C3' A A 3 24.908 31.336 22.305 1.00 0.00 C ATOM 75 O3' A A 3 25.159 32.681 21.889 1.00 0.00 O ATOM 76 C2' A A 3 24.592 31.257 23.795 1.00 0.00 C ATOM 77 O2' A A 3 23.745 32.332 24.210 1.00 0.00 O ATOM 78 C1' A A 3 23.867 29.915 23.843 1.00 0.00 C ATOM 79 N9 A A 3 24.844 28.815 23.968 1.00 0.00 N ATOM 80 C8 A A 3 25.223 27.890 23.030 1.00 0.00 C ATOM 81 N7 A A 3 26.109 27.027 23.445 1.00 0.00 N ATOM 82 C5 A A 3 26.333 27.416 24.762 1.00 0.00 C ATOM 83 C6 A A 3 27.164 26.916 25.777 1.00 0.00 C ATOM 84 N6 A A 3 27.946 25.851 25.604 1.00 0.00 N ATOM 85 N1 A A 3 27.150 27.544 26.959 1.00 0.00 N ATOM 86 C2 A A 3 26.370 28.597 27.149 1.00 0.00 C ATOM 87 N3 A A 3 25.542 29.153 26.280 1.00 0.00 N ATOM 88 C4 A A 3 25.572 28.507 25.090 1.00 0.00 C ATOM 0 H5' A A 3 22.914 29.812 19.927 1.00 0.00 H new ATOM 0 H5'' A A 3 24.243 30.924 19.664 1.00 0.00 H new ATOM 0 H4' A A 3 22.893 31.567 21.573 1.00 0.00 H new ATOM 0 H3' A A 3 25.809 30.804 21.998 1.00 0.00 H new ATOM 0 H2' A A 3 25.457 31.333 24.454 1.00 0.00 H new ATOM 0 HO2' A A 3 23.808 33.066 23.564 1.00 0.00 H new ATOM 0 H1' A A 3 23.201 29.863 24.704 1.00 0.00 H new ATOM 0 H8 A A 3 24.820 27.877 22.028 1.00 0.00 H new ATOM 0 H61 A A 3 28.535 25.521 26.369 1.00 0.00 H new ATOM 0 H62 A A 3 27.956 25.366 24.707 1.00 0.00 H new ATOM 0 H2 A A 3 26.415 29.055 28.126 1.00 0.00 H new ATOM 100 P G A 4 26.670 33.196 21.681 1.00 0.00 P ATOM 101 OP1 G A 4 26.628 34.577 21.148 1.00 0.00 O ATOM 102 OP2 G A 4 27.425 32.163 20.938 1.00 0.00 O ATOM 103 O5' G A 4 27.225 33.253 23.191 1.00 0.00 O ATOM 104 C5' G A 4 26.712 34.223 24.107 1.00 0.00 C ATOM 105 C4' G A 4 27.236 34.010 25.523 1.00 0.00 C ATOM 106 O4' G A 4 26.881 32.713 26.009 1.00 0.00 O ATOM 107 C3' G A 4 28.756 34.120 25.561 1.00 0.00 C ATOM 108 O3' G A 4 29.192 35.472 25.729 1.00 0.00 O ATOM 109 C2' G A 4 29.082 33.268 26.783 1.00 0.00 C ATOM 110 O2' G A 4 29.006 34.030 27.990 1.00 0.00 O ATOM 111 C1' G A 4 28.000 32.194 26.732 1.00 0.00 C ATOM 112 N9 G A 4 28.524 30.971 26.094 1.00 0.00 N ATOM 113 C8 G A 4 28.444 30.577 24.784 1.00 0.00 C ATOM 114 N7 G A 4 29.039 29.446 24.524 1.00 0.00 N ATOM 115 C5 G A 4 29.556 29.066 25.758 1.00 0.00 C ATOM 116 C6 G A 4 30.313 27.915 26.101 1.00 0.00 C ATOM 117 O6 G A 4 30.680 26.996 25.372 1.00 0.00 O ATOM 118 N1 G A 4 30.642 27.897 27.448 1.00 0.00 N ATOM 119 C2 G A 4 30.285 28.870 28.361 1.00 0.00 C ATOM 120 N2 G A 4 30.681 28.687 29.620 1.00 0.00 N ATOM 121 N3 G A 4 29.574 29.958 28.037 1.00 0.00 N ATOM 122 C4 G A 4 29.246 29.986 26.724 1.00 0.00 C ATOM 0 H5' G A 4 25.623 34.175 24.113 1.00 0.00 H new ATOM 0 H5'' G A 4 26.985 35.222 23.767 1.00 0.00 H new ATOM 0 H4' G A 4 26.787 34.781 26.148 1.00 0.00 H new ATOM 0 H3' G A 4 29.247 33.797 24.643 1.00 0.00 H new ATOM 0 H2' G A 4 30.095 32.866 26.773 1.00 0.00 H new ATOM 0 HO2' G A 4 29.768 34.644 28.038 1.00 0.00 H new ATOM 0 H1' G A 4 27.686 31.928 27.741 1.00 0.00 H new ATOM 0 H8 G A 4 27.931 31.155 24.030 1.00 0.00 H new ATOM 0 H1 G A 4 31.188 27.106 27.790 1.00 0.00 H new ATOM 0 H21 G A 4 30.444 29.375 30.334 1.00 0.00 H new ATOM 0 H22 G A 4 31.221 27.858 29.869 1.00 0.00 H new ATOM 134 P A A 5 30.755 35.840 25.606 1.00 0.00 P ATOM 135 OP1 A A 5 30.922 37.298 25.800 1.00 0.00 O ATOM 136 OP2 A A 5 31.293 35.207 24.382 1.00 0.00 O ATOM 137 O5' A A 5 31.370 35.089 26.890 1.00 0.00 O ATOM 138 C5' A A 5 32.679 34.513 26.846 1.00 0.00 C ATOM 139 C4' A A 5 32.917 33.554 28.008 1.00 0.00 C ATOM 140 O4' A A 5 31.995 32.461 27.958 1.00 0.00 O ATOM 141 C3' A A 5 34.328 32.979 27.942 1.00 0.00 C ATOM 142 O3' A A 5 35.263 33.778 28.671 1.00 0.00 O ATOM 143 C2' A A 5 34.137 31.600 28.567 1.00 0.00 C ATOM 144 O2' A A 5 34.197 31.659 29.995 1.00 0.00 O ATOM 145 C1' A A 5 32.732 31.244 28.094 1.00 0.00 C ATOM 146 N9 A A 5 32.779 30.510 26.815 1.00 0.00 N ATOM 147 C8 A A 5 32.218 30.837 25.607 1.00 0.00 C ATOM 148 N7 A A 5 32.453 29.984 24.648 1.00 0.00 N ATOM 149 C5 A A 5 33.228 29.013 25.273 1.00 0.00 C ATOM 150 C6 A A 5 33.811 27.820 24.816 1.00 0.00 C ATOM 151 N6 A A 5 33.683 27.385 23.562 1.00 0.00 N ATOM 152 N1 A A 5 34.509 27.096 25.700 1.00 0.00 N ATOM 153 C2 A A 5 34.634 27.499 26.954 1.00 0.00 C ATOM 154 N3 A A 5 34.134 28.600 27.496 1.00 0.00 N ATOM 155 C4 A A 5 33.433 29.323 26.592 1.00 0.00 C ATOM 0 H5' A A 5 33.426 35.306 26.871 1.00 0.00 H new ATOM 0 H5'' A A 5 32.810 33.981 25.904 1.00 0.00 H new ATOM 0 H4' A A 5 32.780 34.117 28.931 1.00 0.00 H new ATOM 0 H3' A A 5 34.743 32.945 26.935 1.00 0.00 H new ATOM 0 H2' A A 5 34.903 30.878 28.284 1.00 0.00 H new ATOM 0 HO2' A A 5 34.718 32.443 30.268 1.00 0.00 H new ATOM 0 H1' A A 5 32.245 30.591 28.819 1.00 0.00 H new ATOM 0 H8 A A 5 31.628 31.730 25.461 1.00 0.00 H new ATOM 0 H61 A A 5 34.126 26.511 23.278 1.00 0.00 H new ATOM 0 H62 A A 5 33.142 27.926 22.887 1.00 0.00 H new ATOM 0 H2 A A 5 35.207 26.859 27.609 1.00 0.00 H new ATOM 167 P G A 6 36.693 34.153 28.033 1.00 0.00 P ATOM 168 OP1 G A 6 37.400 35.075 28.949 1.00 0.00 O ATOM 169 OP2 G A 6 36.491 34.548 26.621 1.00 0.00 O ATOM 170 O5' G A 6 37.459 32.737 28.048 1.00 0.00 O ATOM 171 C5' G A 6 37.785 32.101 29.286 1.00 0.00 C ATOM 172 C4' G A 6 38.201 30.649 29.075 1.00 0.00 C ATOM 173 O4' G A 6 37.112 29.895 28.536 1.00 0.00 O ATOM 174 C3' G A 6 39.372 30.558 28.100 1.00 0.00 C ATOM 175 O3' G A 6 40.627 30.584 28.785 1.00 0.00 O ATOM 176 C2' G A 6 39.119 29.214 27.427 1.00 0.00 C ATOM 177 O2' G A 6 39.706 28.134 28.157 1.00 0.00 O ATOM 178 C1' G A 6 37.596 29.113 27.441 1.00 0.00 C ATOM 179 N9 G A 6 37.034 29.587 26.163 1.00 0.00 N ATOM 180 C8 G A 6 36.471 30.803 25.872 1.00 0.00 C ATOM 181 N7 G A 6 36.075 30.933 24.636 1.00 0.00 N ATOM 182 C5 G A 6 36.396 29.706 24.066 1.00 0.00 C ATOM 183 C6 G A 6 36.202 29.250 22.736 1.00 0.00 C ATOM 184 O6 G A 6 35.673 29.840 21.797 1.00 0.00 O ATOM 185 N1 G A 6 36.666 27.954 22.563 1.00 0.00 N ATOM 186 C2 G A 6 37.248 27.185 23.552 1.00 0.00 C ATOM 187 N2 G A 6 37.639 25.958 23.207 1.00 0.00 N ATOM 188 N3 G A 6 37.431 27.613 24.807 1.00 0.00 N ATOM 189 C4 G A 6 36.983 28.878 24.987 1.00 0.00 C ATOM 0 H5' G A 6 36.925 32.141 29.954 1.00 0.00 H new ATOM 0 H5'' G A 6 38.594 32.645 29.774 1.00 0.00 H new ATOM 0 H4' G A 6 38.496 30.246 30.044 1.00 0.00 H new ATOM 0 H3' G A 6 39.429 31.391 27.399 1.00 0.00 H new ATOM 0 H2' G A 6 39.556 29.152 26.430 1.00 0.00 H new ATOM 0 HO2' G A 6 40.591 27.932 27.787 1.00 0.00 H new ATOM 0 H1' G A 6 37.287 28.075 27.563 1.00 0.00 H new ATOM 0 H8 G A 6 36.364 31.588 26.606 1.00 0.00 H new ATOM 0 H1 G A 6 36.570 27.538 21.637 1.00 0.00 H new ATOM 0 H21 G A 6 38.075 25.348 23.899 1.00 0.00 H new ATOM 0 H22 G A 6 37.502 25.629 22.251 1.00 0.00 H new HETATM 201 P H2U A 7 41.980 30.922 27.980 1.00 0.00 P HETATM 202 OP1 H2U A 7 43.123 30.813 28.915 1.00 0.00 O HETATM 203 OP2 H2U A 7 41.777 32.186 27.239 1.00 0.00 O HETATM 204 O5' H2U A 7 42.049 29.705 26.928 1.00 0.00 O HETATM 205 C5' H2U A 7 42.629 29.884 25.633 1.00 0.00 C HETATM 206 C4' H2U A 7 41.971 28.988 24.588 1.00 0.00 C HETATM 207 O4' H2U A 7 40.579 29.294 24.474 1.00 0.00 O HETATM 208 C3' H2U A 7 42.619 29.192 23.222 1.00 0.00 C HETATM 209 O3' H2U A 7 42.646 27.974 22.475 1.00 0.00 O HETATM 210 C1' H2U A 7 40.347 29.875 23.188 1.00 0.00 C HETATM 211 C2' H2U A 7 41.698 30.220 22.572 1.00 0.00 C HETATM 212 O2' H2U A 7 41.667 30.076 21.149 1.00 0.00 O HETATM 213 N1 H2U A 7 39.499 31.077 23.305 1.00 0.00 N HETATM 214 C2 H2U A 7 38.637 31.365 22.263 1.00 0.00 C HETATM 215 O2 H2U A 7 38.422 30.573 21.348 1.00 0.00 O HETATM 216 N3 H2U A 7 38.065 32.630 22.283 1.00 0.00 N HETATM 217 C4 H2U A 7 38.332 33.605 23.233 1.00 0.00 C HETATM 218 O4 H2U A 7 37.664 34.634 23.298 1.00 0.00 O HETATM 219 C5 H2U A 7 39.487 33.384 24.175 1.00 0.00 C HETATM 220 C6 H2U A 7 39.576 31.900 24.513 1.00 0.00 C HETATM 0 HO2' H2U A 7 41.067 30.749 20.765 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.530 30.927 25.332 1.00 0.00 H new HETATM 0 HN3 H2U A 7 37.399 32.859 21.545 1.00 0.00 H new HETATM 0 H62 H2U A 7 38.768 31.630 25.192 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.512 31.698 25.035 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.416 33.722 23.717 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.349 33.969 25.084 1.00 0.00 H new HETATM 0 H5' H2U A 7 43.696 29.665 25.679 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.101 27.954 24.909 1.00 0.00 H new HETATM 0 H3' H2U A 7 43.659 29.514 23.277 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.011 31.250 22.741 1.00 0.00 H new HETATM 0 H1' H2U A 7 39.819 29.168 22.548 1.00 0.00 H new ATOM 233 P G A 8 43.746 27.731 21.325 1.00 0.00 P ATOM 234 OP1 G A 8 44.650 28.902 21.272 1.00 0.00 O ATOM 235 OP2 G A 8 43.043 27.306 20.094 1.00 0.00 O ATOM 236 O5' G A 8 44.573 26.477 21.906 1.00 0.00 O ATOM 237 C5' G A 8 45.906 26.201 21.468 1.00 0.00 C ATOM 238 C4' G A 8 46.685 25.392 22.500 1.00 0.00 C ATOM 239 O4' G A 8 46.818 26.131 23.717 1.00 0.00 O ATOM 240 C3' G A 8 45.976 24.078 22.811 1.00 0.00 C ATOM 241 O3' G A 8 46.474 23.009 22.004 1.00 0.00 O ATOM 242 C2' G A 8 46.299 23.861 24.286 1.00 0.00 C ATOM 243 O2' G A 8 47.511 23.126 24.465 1.00 0.00 O ATOM 244 C1' G A 8 46.439 25.288 24.808 1.00 0.00 C ATOM 245 N9 G A 8 45.180 25.760 25.416 1.00 0.00 N ATOM 246 C8 G A 8 44.012 26.126 24.801 1.00 0.00 C ATOM 247 N7 G A 8 43.067 26.499 25.619 1.00 0.00 N ATOM 248 C5 G A 8 43.657 26.367 26.871 1.00 0.00 C ATOM 249 C6 G A 8 43.108 26.625 28.154 1.00 0.00 C ATOM 250 O6 G A 8 41.987 27.037 28.441 1.00 0.00 O ATOM 251 N1 G A 8 44.024 26.366 29.165 1.00 0.00 N ATOM 252 C2 G A 8 45.313 25.911 28.963 1.00 0.00 C ATOM 253 N2 G A 8 46.052 25.707 30.054 1.00 0.00 N ATOM 254 N3 G A 8 45.832 25.667 27.753 1.00 0.00 N ATOM 255 C4 G A 8 44.945 25.916 26.760 1.00 0.00 C ATOM 0 H5' G A 8 46.426 27.139 21.273 1.00 0.00 H new ATOM 0 H5'' G A 8 45.873 25.653 20.526 1.00 0.00 H new ATOM 0 H4' G A 8 47.669 25.185 22.078 1.00 0.00 H new ATOM 0 H3' G A 8 44.906 24.108 22.604 1.00 0.00 H new ATOM 0 H2' G A 8 45.541 23.275 24.806 1.00 0.00 H new ATOM 0 HO2' G A 8 47.774 22.717 23.614 1.00 0.00 H new ATOM 0 H1' G A 8 47.202 25.317 25.586 1.00 0.00 H new ATOM 0 H8 G A 8 43.884 26.107 23.729 1.00 0.00 H new ATOM 0 H1 G A 8 43.723 26.523 30.127 1.00 0.00 H new ATOM 0 H21 G A 8 47.011 25.371 29.965 1.00 0.00 H new ATOM 0 H22 G A 8 45.658 25.887 30.978 1.00 0.00 H new ATOM 267 P G A 9 45.589 22.398 20.806 1.00 0.00 P ATOM 268 OP1 G A 9 46.481 22.109 19.662 1.00 0.00 O ATOM 269 OP2 G A 9 44.410 23.266 20.587 1.00 0.00 O ATOM 270 O5' G A 9 45.090 21.005 21.441 1.00 0.00 O ATOM 271 C5' G A 9 43.913 20.941 22.250 1.00 0.00 C ATOM 272 C4' G A 9 43.960 19.772 23.227 1.00 0.00 C ATOM 273 O4' G A 9 44.829 20.070 24.323 1.00 0.00 O ATOM 274 C3' G A 9 42.572 19.474 23.782 1.00 0.00 C ATOM 275 O3' G A 9 41.900 18.465 23.024 1.00 0.00 O ATOM 276 C2' G A 9 42.873 18.990 25.196 1.00 0.00 C ATOM 277 O2' G A 9 43.021 17.569 25.233 1.00 0.00 O ATOM 278 C1' G A 9 44.173 19.707 25.541 1.00 0.00 C ATOM 279 N9 G A 9 43.906 20.900 26.368 1.00 0.00 N ATOM 280 C8 G A 9 43.260 22.060 26.027 1.00 0.00 C ATOM 281 N7 G A 9 43.154 22.923 26.999 1.00 0.00 N ATOM 282 C5 G A 9 43.775 22.286 28.068 1.00 0.00 C ATOM 283 C6 G A 9 43.966 22.735 29.400 1.00 0.00 C ATOM 284 O6 G A 9 43.617 23.798 29.909 1.00 0.00 O ATOM 285 N1 G A 9 44.643 21.794 30.163 1.00 0.00 N ATOM 286 C2 G A 9 45.080 20.567 29.702 1.00 0.00 C ATOM 287 N2 G A 9 45.709 19.791 30.584 1.00 0.00 N ATOM 288 N3 G A 9 44.900 20.142 28.445 1.00 0.00 N ATOM 289 C4 G A 9 44.240 21.053 27.692 1.00 0.00 C ATOM 0 H5' G A 9 43.037 20.844 21.609 1.00 0.00 H new ATOM 0 H5'' G A 9 43.802 21.873 22.804 1.00 0.00 H new ATOM 0 H4' G A 9 44.331 18.904 22.682 1.00 0.00 H new ATOM 0 H3' G A 9 41.907 20.337 23.747 1.00 0.00 H new ATOM 0 H2' G A 9 42.075 19.207 25.906 1.00 0.00 H new ATOM 0 HO2' G A 9 42.741 17.188 24.375 1.00 0.00 H new ATOM 0 H1' G A 9 44.817 19.045 26.120 1.00 0.00 H new ATOM 0 H8 G A 9 42.871 22.244 25.036 1.00 0.00 H new ATOM 0 H1 G A 9 44.832 22.026 31.138 1.00 0.00 H new ATOM 0 H21 G A 9 46.054 18.874 30.301 1.00 0.00 H new ATOM 0 H22 G A 9 45.845 20.114 31.542 1.00 0.00 H new ATOM 301 P A A 10 41.239 18.796 21.594 1.00 0.00 P ATOM 302 OP1 A A 10 42.266 18.593 20.548 1.00 0.00 O ATOM 303 OP2 A A 10 40.553 20.104 21.682 1.00 0.00 O ATOM 304 O5' A A 10 40.119 17.648 21.447 1.00 0.00 O ATOM 305 C5' A A 10 38.896 17.719 22.185 1.00 0.00 C ATOM 306 C4' A A 10 38.917 16.808 23.408 1.00 0.00 C ATOM 307 O4' A A 10 39.985 17.167 24.286 1.00 0.00 O ATOM 308 C3' A A 10 37.599 16.908 24.169 1.00 0.00 C ATOM 309 O3' A A 10 36.708 15.857 23.784 1.00 0.00 O ATOM 310 C2' A A 10 38.029 16.778 25.626 1.00 0.00 C ATOM 311 O2' A A 10 37.944 15.424 26.077 1.00 0.00 O ATOM 312 C1' A A 10 39.473 17.270 25.617 1.00 0.00 C ATOM 313 N9 A A 10 39.568 18.658 26.108 1.00 0.00 N ATOM 314 C8 A A 10 40.044 19.118 27.309 1.00 0.00 C ATOM 315 N7 A A 10 40.043 20.417 27.429 1.00 0.00 N ATOM 316 C5 A A 10 39.521 20.849 26.214 1.00 0.00 C ATOM 317 C6 A A 10 39.255 22.124 25.689 1.00 0.00 C ATOM 318 N6 A A 10 39.494 23.255 26.355 1.00 0.00 N ATOM 319 N1 A A 10 38.737 22.187 24.456 1.00 0.00 N ATOM 320 C2 A A 10 38.495 21.080 23.770 1.00 0.00 C ATOM 321 N3 A A 10 38.705 19.831 24.153 1.00 0.00 N ATOM 322 C4 A A 10 39.229 19.786 25.402 1.00 0.00 C ATOM 0 H5' A A 10 38.065 17.439 21.538 1.00 0.00 H new ATOM 0 H5'' A A 10 38.722 18.747 22.501 1.00 0.00 H new ATOM 0 H4' A A 10 39.063 15.786 23.059 1.00 0.00 H new ATOM 0 H3' A A 10 37.053 17.831 23.973 1.00 0.00 H new ATOM 0 H2' A A 10 37.393 17.345 26.305 1.00 0.00 H new ATOM 0 HO2' A A 10 37.003 15.159 26.141 1.00 0.00 H new ATOM 0 H1' A A 10 40.067 16.650 26.289 1.00 0.00 H new ATOM 0 H8 A A 10 40.391 18.459 28.091 1.00 0.00 H new ATOM 0 H61 A A 10 39.281 24.155 25.925 1.00 0.00 H new ATOM 0 H62 A A 10 39.890 23.220 27.295 1.00 0.00 H new ATOM 0 H2 A A 10 38.078 21.212 22.783 1.00 0.00 H new ATOM 334 P A A 11 35.145 15.925 24.161 1.00 0.00 P ATOM 335 OP1 A A 11 34.498 14.665 23.730 1.00 0.00 O ATOM 336 OP2 A A 11 34.600 17.212 23.672 1.00 0.00 O ATOM 337 O5' A A 11 35.174 15.957 25.771 1.00 0.00 O ATOM 338 C5' A A 11 34.300 16.827 26.496 1.00 0.00 C ATOM 339 C4' A A 11 35.023 17.552 27.626 1.00 0.00 C ATOM 340 O4' A A 11 36.225 18.154 27.140 1.00 0.00 O ATOM 341 C3' A A 11 34.124 18.642 28.204 1.00 0.00 C ATOM 342 O3' A A 11 33.477 18.203 29.402 1.00 0.00 O ATOM 343 C2' A A 11 35.091 19.791 28.468 1.00 0.00 C ATOM 344 O2' A A 11 35.608 19.724 29.800 1.00 0.00 O ATOM 345 C1' A A 11 36.173 19.556 27.419 1.00 0.00 C ATOM 346 N9 A A 11 35.893 20.294 26.173 1.00 0.00 N ATOM 347 C8 A A 11 35.471 19.799 24.967 1.00 0.00 C ATOM 348 N7 A A 11 35.312 20.700 24.037 1.00 0.00 N ATOM 349 C5 A A 11 35.657 21.884 24.680 1.00 0.00 C ATOM 350 C6 A A 11 35.709 23.222 24.254 1.00 0.00 C ATOM 351 N6 A A 11 35.412 23.606 23.012 1.00 0.00 N ATOM 352 N1 A A 11 36.097 24.139 25.149 1.00 0.00 N ATOM 353 C2 A A 11 36.416 23.782 26.383 1.00 0.00 C ATOM 354 N3 A A 11 36.407 22.563 26.900 1.00 0.00 N ATOM 355 C4 A A 11 36.013 21.649 25.982 1.00 0.00 C ATOM 0 H5' A A 11 33.473 16.249 26.907 1.00 0.00 H new ATOM 0 H5'' A A 11 33.869 17.559 25.813 1.00 0.00 H new ATOM 0 H4' A A 11 35.268 16.825 28.400 1.00 0.00 H new ATOM 0 H3' A A 11 33.310 18.924 27.537 1.00 0.00 H new ATOM 0 H2' A A 11 34.639 20.780 28.395 1.00 0.00 H new ATOM 0 HO2' A A 11 35.354 18.870 30.207 1.00 0.00 H new ATOM 0 H1' A A 11 37.126 19.916 27.808 1.00 0.00 H new ATOM 0 H8 A A 11 35.285 18.748 24.800 1.00 0.00 H new ATOM 0 H61 A A 11 35.466 24.592 22.756 1.00 0.00 H new ATOM 0 H62 A A 11 35.130 22.914 22.318 1.00 0.00 H new ATOM 0 H2 A A 11 36.719 24.579 27.046 1.00 0.00 H new ATOM 367 P C A 12 32.056 18.825 29.837 1.00 0.00 P ATOM 368 OP1 C A 12 31.530 18.043 30.978 1.00 0.00 O ATOM 369 OP2 C A 12 31.214 18.986 28.630 1.00 0.00 O ATOM 370 O5' C A 12 32.471 20.286 30.370 1.00 0.00 O ATOM 371 C5' C A 12 33.314 20.424 31.518 1.00 0.00 C ATOM 372 C4' C A 12 33.207 21.811 32.142 1.00 0.00 C ATOM 373 O4' C A 12 33.715 22.807 31.249 1.00 0.00 O ATOM 374 C3' C A 12 31.752 22.158 32.440 1.00 0.00 C ATOM 375 O3' C A 12 31.337 21.668 33.718 1.00 0.00 O ATOM 376 C2' C A 12 31.808 23.680 32.388 1.00 0.00 C ATOM 377 O2' C A 12 32.291 24.213 33.625 1.00 0.00 O ATOM 378 C1' C A 12 32.804 23.908 31.256 1.00 0.00 C ATOM 379 N1 C A 12 32.125 24.026 29.952 1.00 0.00 N ATOM 380 C2 C A 12 31.815 25.295 29.496 1.00 0.00 C ATOM 381 O2 C A 12 32.103 26.283 30.167 1.00 0.00 O ATOM 382 N3 C A 12 31.177 25.408 28.302 1.00 0.00 N ATOM 383 C4 C A 12 30.848 24.324 27.586 1.00 0.00 C ATOM 384 N4 C A 12 30.166 24.483 26.452 1.00 0.00 N ATOM 385 C5 C A 12 31.165 23.008 28.053 1.00 0.00 C ATOM 386 C6 C A 12 31.804 22.908 29.238 1.00 0.00 C ATOM 0 H5' C A 12 34.349 20.234 31.233 1.00 0.00 H new ATOM 0 H5'' C A 12 33.044 19.671 32.259 1.00 0.00 H new ATOM 0 H4' C A 12 33.789 21.796 33.064 1.00 0.00 H new ATOM 0 H3' C A 12 31.029 21.716 31.755 1.00 0.00 H new ATOM 0 H2' C A 12 30.843 24.162 32.230 1.00 0.00 H new ATOM 0 HO2' C A 12 32.062 23.602 34.356 1.00 0.00 H new ATOM 0 H1' C A 12 33.335 24.846 31.420 1.00 0.00 H new ATOM 0 H41 C A 12 29.907 23.669 25.894 1.00 0.00 H new ATOM 0 H42 C A 12 29.903 25.418 26.142 1.00 0.00 H new ATOM 0 H5 C A 12 30.903 22.131 27.480 1.00 0.00 H new ATOM 0 H6 C A 12 32.064 21.934 29.625 1.00 0.00 H new ATOM 398 P U A 13 29.896 20.968 33.873 1.00 0.00 P ATOM 399 OP1 U A 13 29.849 20.292 35.188 1.00 0.00 O ATOM 400 OP2 U A 13 29.613 20.188 32.648 1.00 0.00 O ATOM 401 O5' U A 13 28.916 22.246 33.908 1.00 0.00 O ATOM 402 C5' U A 13 28.843 23.071 35.073 1.00 0.00 C ATOM 403 C4' U A 13 28.185 24.421 34.810 1.00 0.00 C ATOM 404 O4' U A 13 28.883 25.167 33.810 1.00 0.00 O ATOM 405 C3' U A 13 26.753 24.248 34.314 1.00 0.00 C ATOM 406 O3' U A 13 25.817 24.047 35.378 1.00 0.00 O ATOM 407 C2' U A 13 26.532 25.577 33.601 1.00 0.00 C ATOM 408 O2' U A 13 26.141 26.612 34.506 1.00 0.00 O ATOM 409 C1' U A 13 27.912 25.844 33.009 1.00 0.00 C ATOM 410 N1 U A 13 27.962 25.399 31.604 1.00 0.00 N ATOM 411 C2 U A 13 27.658 26.341 30.639 1.00 0.00 C ATOM 412 O2 U A 13 27.391 27.507 30.921 1.00 0.00 O ATOM 413 N3 U A 13 27.656 25.887 29.327 1.00 0.00 N ATOM 414 C4 U A 13 27.921 24.587 28.917 1.00 0.00 C ATOM 415 O4 U A 13 27.834 24.283 27.730 1.00 0.00 O ATOM 416 C5 U A 13 28.236 23.680 29.996 1.00 0.00 C ATOM 417 C6 U A 13 28.238 24.102 31.278 1.00 0.00 C ATOM 0 H5' U A 13 29.849 23.233 35.460 1.00 0.00 H new ATOM 0 H5'' U A 13 28.284 22.546 35.848 1.00 0.00 H new ATOM 0 H4' U A 13 28.206 24.953 35.761 1.00 0.00 H new ATOM 0 H3' U A 13 26.607 23.368 33.688 1.00 0.00 H new ATOM 0 H2' U A 13 25.729 25.549 32.864 1.00 0.00 H new ATOM 0 HO2' U A 13 26.010 27.447 34.011 1.00 0.00 H new ATOM 0 H1' U A 13 28.127 26.913 33.014 1.00 0.00 H new ATOM 0 H3 U A 13 27.441 26.569 28.600 1.00 0.00 H new ATOM 0 H5 U A 13 28.473 22.650 29.774 1.00 0.00 H new ATOM 0 H6 U A 13 28.463 23.397 32.065 1.00 0.00 H new ATOM 428 P C A 14 24.402 23.329 35.111 1.00 0.00 P ATOM 429 OP1 C A 14 23.611 23.358 36.362 1.00 0.00 O ATOM 430 OP2 C A 14 24.658 22.022 34.464 1.00 0.00 O ATOM 431 O5' C A 14 23.696 24.302 34.040 1.00 0.00 O ATOM 432 C5' C A 14 23.380 25.655 34.379 1.00 0.00 C ATOM 433 C4' C A 14 23.130 26.526 33.153 1.00 0.00 C ATOM 434 O4' C A 14 24.256 26.523 32.271 1.00 0.00 O ATOM 435 C3' C A 14 21.929 26.013 32.365 1.00 0.00 C ATOM 436 O3' C A 14 20.696 26.533 32.872 1.00 0.00 O ATOM 437 C2' C A 14 22.241 26.551 30.972 1.00 0.00 C ATOM 438 O2' C A 14 21.750 27.885 30.815 1.00 0.00 O ATOM 439 C1' C A 14 23.764 26.509 30.928 1.00 0.00 C ATOM 440 N1 C A 14 24.239 25.319 30.196 1.00 0.00 N ATOM 441 C2 C A 14 24.634 25.499 28.884 1.00 0.00 C ATOM 442 O2 C A 14 24.623 26.620 28.378 1.00 0.00 O ATOM 443 N3 C A 14 25.045 24.414 28.179 1.00 0.00 N ATOM 444 C4 C A 14 25.070 23.196 28.735 1.00 0.00 C ATOM 445 N4 C A 14 25.474 22.166 27.992 1.00 0.00 N ATOM 446 C5 C A 14 24.670 23.003 30.098 1.00 0.00 C ATOM 447 C6 C A 14 24.261 24.089 30.787 1.00 0.00 C ATOM 0 H5' C A 14 24.198 26.080 34.961 1.00 0.00 H new ATOM 0 H5'' C A 14 22.495 25.669 35.016 1.00 0.00 H new ATOM 0 H4' C A 14 22.948 27.537 33.519 1.00 0.00 H new ATOM 0 H3' C A 14 21.795 24.932 32.408 1.00 0.00 H new ATOM 0 H2' C A 14 21.774 25.979 30.170 1.00 0.00 H new ATOM 0 HO2' C A 14 21.066 28.064 31.494 1.00 0.00 H new ATOM 0 H1' C A 14 24.142 27.381 30.393 1.00 0.00 H new ATOM 0 H41 C A 14 25.502 21.228 28.392 1.00 0.00 H new ATOM 0 H42 C A 14 25.755 22.315 27.023 1.00 0.00 H new ATOM 0 H5 C A 14 24.695 22.025 30.556 1.00 0.00 H new ATOM 0 H6 C A 14 23.948 23.984 31.815 1.00 0.00 H new ATOM 459 P C A 15 19.365 25.627 32.859 1.00 0.00 P ATOM 460 OP1 C A 15 18.402 26.191 33.832 1.00 0.00 O ATOM 461 OP2 C A 15 19.768 24.209 32.980 1.00 0.00 O ATOM 462 O5' C A 15 18.805 25.874 31.370 1.00 0.00 O ATOM 463 C5' C A 15 18.024 27.033 31.066 1.00 0.00 C ATOM 464 C4' C A 15 17.560 27.058 29.614 1.00 0.00 C ATOM 465 O4' C A 15 18.676 27.161 28.726 1.00 0.00 O ATOM 466 C3' C A 15 16.784 25.794 29.256 1.00 0.00 C ATOM 467 O3' C A 15 15.389 25.944 29.533 1.00 0.00 O ATOM 468 C2' C A 15 17.054 25.685 27.758 1.00 0.00 C ATOM 469 O2' C A 15 16.125 26.472 27.007 1.00 0.00 O ATOM 470 C1' C A 15 18.469 26.244 27.648 1.00 0.00 C ATOM 471 N1 C A 15 19.459 25.151 27.701 1.00 0.00 N ATOM 472 C2 C A 15 19.947 24.669 26.501 1.00 0.00 C ATOM 473 O2 C A 15 19.544 25.132 25.437 1.00 0.00 O ATOM 474 N3 C A 15 20.861 23.664 26.534 1.00 0.00 N ATOM 475 C4 C A 15 21.270 23.146 27.698 1.00 0.00 C ATOM 476 N4 C A 15 22.146 22.140 27.700 1.00 0.00 N ATOM 477 C5 C A 15 20.766 23.635 28.946 1.00 0.00 C ATOM 478 C6 C A 15 19.864 24.638 28.900 1.00 0.00 C ATOM 0 H5' C A 15 18.612 27.928 31.272 1.00 0.00 H new ATOM 0 H5'' C A 15 17.155 27.064 31.723 1.00 0.00 H new ATOM 0 H4' C A 15 16.912 27.927 29.505 1.00 0.00 H new ATOM 0 H3' C A 15 17.081 24.911 29.823 1.00 0.00 H new ATOM 0 H2' C A 15 16.950 24.674 27.364 1.00 0.00 H new ATOM 0 HO2' C A 15 15.344 26.675 27.563 1.00 0.00 H new ATOM 0 HO3' C A 15 14.917 25.120 29.292 1.00 0.00 H new ATOM 0 H1' C A 15 18.593 26.759 26.695 1.00 0.00 H new ATOM 0 H41 C A 15 22.462 21.741 28.584 1.00 0.00 H new ATOM 0 H42 C A 15 22.500 21.770 26.818 1.00 0.00 H new ATOM 0 H5 C A 15 21.095 23.218 29.886 1.00 0.00 H new ATOM 0 H6 C A 15 19.460 25.038 29.818 1.00 0.00 H new TER 491 C A 15