USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 155 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 13 G O2' : rot -6:sc= -4.4! USER MOD Single : A 13 G O5' : rot 14:sc= -1.08! USER MOD Single : A 14 G O2' : rot -15:sc= -0.192 USER MOD Single : A 15 C O2' : rot -5:sc= -1.38 USER MOD Single : A 16 A O2' : rot -2:sc= -5.21! USER MOD Single : A 17 C O2' : rot -17:sc= -3.33! USER MOD Single : A 18 U O2' : rot 173:sc= -7.08! USER MOD Single : A 19 G O2' : rot -15:sc= 0.191 USER MOD Single : A 19 G O3' : rot 180:sc= 0.187 USER MOD Single : B 59 C O2' : rot -12:sc= -1.94! USER MOD Single : B 59 C O5' : rot 48:sc= -3.42! USER MOD Single : B 60 A O2' : rot -18:sc= 0.218 USER MOD Single : B 61 G O2' : rot -152:sc= -1.81! USER MOD Single : B 62 U O2' : rot -15:sc= -2.07! USER MOD Single : B 63 G O2' : rot -4:sc= -0.271 USER MOD Single : B 64 U O2' : rot -8:sc= 0.133 USER MOD Single : B 65 C O2' : rot -20:sc= 0.156 USER MOD Single : B 65 C O3' : rot 180:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 5.011 -7.267 -5.355 1.00 0.00 O ATOM 2 C5' G A 13 5.238 -7.966 -6.582 1.00 0.00 C ATOM 3 C4' G A 13 4.010 -8.766 -7.006 1.00 0.00 C ATOM 4 O4' G A 13 3.729 -9.823 -6.073 1.00 0.00 O ATOM 5 C3' G A 13 2.764 -7.887 -7.028 1.00 0.00 C ATOM 6 O3' G A 13 2.520 -7.467 -8.372 1.00 0.00 O ATOM 7 C2' G A 13 1.664 -8.846 -6.621 1.00 0.00 C ATOM 8 O2' G A 13 1.206 -9.628 -7.730 1.00 0.00 O ATOM 9 C1' G A 13 2.382 -9.698 -5.593 1.00 0.00 C ATOM 10 N9 G A 13 2.348 -9.050 -4.269 1.00 0.00 N ATOM 11 C8 G A 13 3.081 -8.013 -3.797 1.00 0.00 C ATOM 12 N7 G A 13 2.840 -7.607 -2.596 1.00 0.00 N ATOM 13 C5 G A 13 1.816 -8.474 -2.203 1.00 0.00 C ATOM 14 C6 G A 13 1.106 -8.547 -0.976 1.00 0.00 C ATOM 15 O6 G A 13 1.241 -7.848 0.029 1.00 0.00 O ATOM 16 N1 G A 13 0.158 -9.561 -0.997 1.00 0.00 N ATOM 17 C2 G A 13 -0.083 -10.405 -2.061 1.00 0.00 C ATOM 18 N2 G A 13 -1.038 -11.318 -1.885 1.00 0.00 N ATOM 19 N3 G A 13 0.580 -10.345 -3.220 1.00 0.00 N ATOM 20 C4 G A 13 1.510 -9.362 -3.223 1.00 0.00 C ATOM 0 H5' G A 13 6.089 -8.637 -6.467 1.00 0.00 H new ATOM 0 H5'' G A 13 5.497 -7.254 -7.365 1.00 0.00 H new ATOM 0 H4' G A 13 4.235 -9.163 -7.996 1.00 0.00 H new ATOM 0 H3' G A 13 2.841 -7.004 -6.394 1.00 0.00 H new ATOM 0 H2' G A 13 0.763 -8.360 -6.247 1.00 0.00 H new ATOM 0 HO2' G A 13 1.632 -9.310 -8.553 1.00 0.00 H new ATOM 0 HO5' G A 13 4.201 -7.614 -4.926 1.00 0.00 H new ATOM 0 H1' G A 13 1.911 -10.673 -5.471 1.00 0.00 H new ATOM 0 H8 G A 13 3.840 -7.543 -4.404 1.00 0.00 H new ATOM 0 H1 G A 13 -0.406 -9.693 -0.157 1.00 0.00 H new ATOM 0 H21 G A 13 -1.263 -11.972 -2.635 1.00 0.00 H new ATOM 0 H22 G A 13 -1.544 -11.363 -1.000 1.00 0.00 H new ATOM 33 P G A 14 1.592 -6.184 -8.659 1.00 0.00 P ATOM 34 OP1 G A 14 1.470 -6.019 -10.125 1.00 0.00 O ATOM 35 OP2 G A 14 2.081 -5.061 -7.827 1.00 0.00 O ATOM 36 O5' G A 14 0.160 -6.650 -8.084 1.00 0.00 O ATOM 37 C5' G A 14 -0.555 -7.717 -8.712 1.00 0.00 C ATOM 38 C4' G A 14 -1.988 -7.826 -8.195 1.00 0.00 C ATOM 39 O4' G A 14 -2.066 -8.525 -6.941 1.00 0.00 O ATOM 40 C3' G A 14 -2.582 -6.463 -7.900 1.00 0.00 C ATOM 41 O3' G A 14 -3.119 -5.895 -9.097 1.00 0.00 O ATOM 42 C2' G A 14 -3.723 -6.844 -6.986 1.00 0.00 C ATOM 43 O2' G A 14 -4.810 -7.426 -7.715 1.00 0.00 O ATOM 44 C1' G A 14 -3.037 -7.868 -6.096 1.00 0.00 C ATOM 45 N9 G A 14 -2.393 -7.226 -4.941 1.00 0.00 N ATOM 46 C8 G A 14 -1.155 -6.688 -4.811 1.00 0.00 C ATOM 47 N7 G A 14 -0.823 -6.231 -3.651 1.00 0.00 N ATOM 48 C5 G A 14 -1.978 -6.489 -2.905 1.00 0.00 C ATOM 49 C6 G A 14 -2.256 -6.222 -1.541 1.00 0.00 C ATOM 50 O6 G A 14 -1.523 -5.701 -0.708 1.00 0.00 O ATOM 51 N1 G A 14 -3.538 -6.637 -1.192 1.00 0.00 N ATOM 52 C2 G A 14 -4.439 -7.236 -2.044 1.00 0.00 C ATOM 53 N2 G A 14 -5.622 -7.553 -1.521 1.00 0.00 N ATOM 54 N3 G A 14 -4.183 -7.492 -3.329 1.00 0.00 N ATOM 55 C4 G A 14 -2.942 -7.095 -3.690 1.00 0.00 C ATOM 0 H5' G A 14 -0.033 -8.657 -8.535 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.569 -7.559 -9.790 1.00 0.00 H new ATOM 0 H4' G A 14 -2.522 -8.352 -8.986 1.00 0.00 H new ATOM 0 H3' G A 14 -1.875 -5.741 -7.491 1.00 0.00 H new ATOM 0 H2' G A 14 -4.175 -6.008 -6.452 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.695 -7.247 -8.672 1.00 0.00 H new ATOM 0 H1' G A 14 -3.751 -8.579 -5.679 1.00 0.00 H new ATOM 0 H8 G A 14 -0.473 -6.644 -5.647 1.00 0.00 H new ATOM 0 H1 G A 14 -3.834 -6.485 -0.228 1.00 0.00 H new ATOM 0 H21 G A 14 -6.333 -7.999 -2.101 1.00 0.00 H new ATOM 0 H22 G A 14 -5.817 -7.350 -0.541 1.00 0.00 H new ATOM 67 P C A 15 -3.219 -4.294 -9.233 1.00 0.00 P ATOM 68 OP1 C A 15 -3.928 -3.975 -10.491 1.00 0.00 O ATOM 69 OP2 C A 15 -1.881 -3.718 -8.968 1.00 0.00 O ATOM 70 O5' C A 15 -4.182 -3.927 -7.999 1.00 0.00 O ATOM 71 C5' C A 15 -5.558 -4.297 -8.038 1.00 0.00 C ATOM 72 C4' C A 15 -6.212 -4.211 -6.663 1.00 0.00 C ATOM 73 O4' C A 15 -5.539 -5.028 -5.703 1.00 0.00 O ATOM 74 C3' C A 15 -6.131 -2.826 -6.058 1.00 0.00 C ATOM 75 O3' C A 15 -7.158 -1.997 -6.601 1.00 0.00 O ATOM 76 C2' C A 15 -6.475 -3.139 -4.618 1.00 0.00 C ATOM 77 O2' C A 15 -7.883 -3.341 -4.446 1.00 0.00 O ATOM 78 C1' C A 15 -5.690 -4.429 -4.399 1.00 0.00 C ATOM 79 N1 C A 15 -4.388 -4.134 -3.765 1.00 0.00 N ATOM 80 C2 C A 15 -4.396 -3.884 -2.403 1.00 0.00 C ATOM 81 O2 C A 15 -5.457 -3.881 -1.785 1.00 0.00 O ATOM 82 N3 C A 15 -3.211 -3.630 -1.787 1.00 0.00 N ATOM 83 C4 C A 15 -2.064 -3.623 -2.477 1.00 0.00 C ATOM 84 N4 C A 15 -0.923 -3.372 -1.838 1.00 0.00 N ATOM 85 C5 C A 15 -2.051 -3.877 -3.884 1.00 0.00 C ATOM 86 C6 C A 15 -3.228 -4.123 -4.486 1.00 0.00 C ATOM 0 H5' C A 15 -5.649 -5.314 -8.420 1.00 0.00 H new ATOM 0 H5'' C A 15 -6.089 -3.647 -8.733 1.00 0.00 H new ATOM 0 H4' C A 15 -7.241 -4.521 -6.846 1.00 0.00 H new ATOM 0 H3' C A 15 -5.183 -2.313 -6.220 1.00 0.00 H new ATOM 0 H2' C A 15 -6.229 -2.343 -3.915 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.346 -3.147 -5.287 1.00 0.00 H new ATOM 0 H1' C A 15 -6.203 -5.115 -3.725 1.00 0.00 H new ATOM 0 H41 C A 15 -0.042 -3.364 -2.352 1.00 0.00 H new ATOM 0 H42 C A 15 -0.930 -3.188 -0.835 1.00 0.00 H new ATOM 0 H5 C A 15 -1.128 -3.871 -4.444 1.00 0.00 H new ATOM 0 H6 C A 15 -3.256 -4.314 -5.549 1.00 0.00 H new ATOM 98 P A A 16 -7.047 -0.394 -6.478 1.00 0.00 P ATOM 99 OP1 A A 16 -8.272 0.201 -7.055 1.00 0.00 O ATOM 100 OP2 A A 16 -5.718 0.017 -6.984 1.00 0.00 O ATOM 101 O5' A A 16 -7.074 -0.160 -4.883 1.00 0.00 O ATOM 102 C5' A A 16 -8.283 -0.354 -4.148 1.00 0.00 C ATOM 103 C4' A A 16 -8.078 -0.196 -2.641 1.00 0.00 C ATOM 104 O4' A A 16 -7.111 -1.117 -2.126 1.00 0.00 O ATOM 105 C3' A A 16 -7.519 1.166 -2.283 1.00 0.00 C ATOM 106 O3' A A 16 -8.590 2.102 -2.171 1.00 0.00 O ATOM 107 C2' A A 16 -6.963 0.905 -0.899 1.00 0.00 C ATOM 108 O2' A A 16 -7.996 0.924 0.094 1.00 0.00 O ATOM 109 C1' A A 16 -6.372 -0.483 -1.061 1.00 0.00 C ATOM 110 N9 A A 16 -4.934 -0.406 -1.372 1.00 0.00 N ATOM 111 C8 A A 16 -4.283 -0.628 -2.533 1.00 0.00 C ATOM 112 N7 A A 16 -2.995 -0.601 -2.516 1.00 0.00 N ATOM 113 C5 A A 16 -2.745 -0.312 -1.177 1.00 0.00 C ATOM 114 C6 A A 16 -1.567 -0.134 -0.454 1.00 0.00 C ATOM 115 N6 A A 16 -0.356 -0.280 -1.000 1.00 0.00 N ATOM 116 N1 A A 16 -1.687 0.152 0.856 1.00 0.00 N ATOM 117 C2 A A 16 -2.901 0.251 1.412 1.00 0.00 C ATOM 118 N3 A A 16 -4.071 0.095 0.820 1.00 0.00 N ATOM 119 C4 A A 16 -3.922 -0.185 -0.479 1.00 0.00 C ATOM 0 H5' A A 16 -8.677 -1.349 -4.356 1.00 0.00 H new ATOM 0 H5'' A A 16 -9.031 0.362 -4.488 1.00 0.00 H new ATOM 0 H4' A A 16 -9.069 -0.361 -2.217 1.00 0.00 H new ATOM 0 H3' A A 16 -6.803 1.561 -3.003 1.00 0.00 H new ATOM 0 H2' A A 16 -6.246 1.654 -0.562 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.853 1.141 -0.329 1.00 0.00 H new ATOM 0 H1' A A 16 -6.453 -1.060 -0.140 1.00 0.00 H new ATOM 0 H8 A A 16 -4.824 -0.822 -3.447 1.00 0.00 H new ATOM 0 H61 A A 16 0.480 -0.140 -0.432 1.00 0.00 H new ATOM 0 H62 A A 16 -0.267 -0.532 -1.984 1.00 0.00 H new ATOM 0 H2 A A 16 -2.926 0.485 2.466 1.00 0.00 H new ATOM 131 P C A 17 -8.279 3.681 -2.213 1.00 0.00 P ATOM 132 OP1 C A 17 -9.551 4.410 -2.007 1.00 0.00 O ATOM 133 OP2 C A 17 -7.453 3.960 -3.408 1.00 0.00 O ATOM 134 O5' C A 17 -7.362 3.885 -0.905 1.00 0.00 O ATOM 135 C5' C A 17 -7.880 3.577 0.392 1.00 0.00 C ATOM 136 C4' C A 17 -6.821 3.714 1.483 1.00 0.00 C ATOM 137 O4' C A 17 -5.780 2.750 1.361 1.00 0.00 O ATOM 138 C3' C A 17 -6.116 5.049 1.412 1.00 0.00 C ATOM 139 O3' C A 17 -6.897 6.011 2.126 1.00 0.00 O ATOM 140 C2' C A 17 -4.847 4.777 2.196 1.00 0.00 C ATOM 141 O2' C A 17 -5.059 4.929 3.604 1.00 0.00 O ATOM 142 C1' C A 17 -4.546 3.325 1.832 1.00 0.00 C ATOM 143 N1 C A 17 -3.515 3.244 0.791 1.00 0.00 N ATOM 144 C2 C A 17 -2.196 3.209 1.195 1.00 0.00 C ATOM 145 O2 C A 17 -1.920 3.278 2.390 1.00 0.00 O ATOM 146 N3 C A 17 -1.233 3.099 0.237 1.00 0.00 N ATOM 147 C4 C A 17 -1.567 3.028 -1.061 1.00 0.00 C ATOM 148 N4 C A 17 -0.610 2.905 -1.982 1.00 0.00 N ATOM 149 C5 C A 17 -2.934 3.072 -1.466 1.00 0.00 C ATOM 150 C6 C A 17 -3.861 3.178 -0.517 1.00 0.00 C ATOM 0 H5' C A 17 -8.271 2.559 0.393 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.716 4.240 0.614 1.00 0.00 H new ATOM 0 H4' C A 17 -7.374 3.586 2.413 1.00 0.00 H new ATOM 0 H3' C A 17 -5.949 5.420 0.401 1.00 0.00 H new ATOM 0 H2' C A 17 -4.034 5.464 1.961 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.886 5.431 3.758 1.00 0.00 H new ATOM 0 H1' C A 17 -4.165 2.786 2.699 1.00 0.00 H new ATOM 0 H41 C A 17 -0.857 2.850 -2.970 1.00 0.00 H new ATOM 0 H42 C A 17 0.369 2.865 -1.698 1.00 0.00 H new ATOM 0 H5 C A 17 -3.208 3.021 -2.509 1.00 0.00 H new ATOM 0 H6 C A 17 -4.904 3.212 -0.794 1.00 0.00 H new ATOM 162 P U A 18 -6.851 7.566 1.717 1.00 0.00 P ATOM 163 OP1 U A 18 -7.702 8.320 2.663 1.00 0.00 O ATOM 164 OP2 U A 18 -7.094 7.669 0.260 1.00 0.00 O ATOM 165 O5' U A 18 -5.316 7.952 2.000 1.00 0.00 O ATOM 166 C5' U A 18 -4.756 7.803 3.308 1.00 0.00 C ATOM 167 C4' U A 18 -3.271 8.142 3.316 1.00 0.00 C ATOM 168 O4' U A 18 -2.497 7.099 2.728 1.00 0.00 O ATOM 169 C3' U A 18 -3.006 9.379 2.477 1.00 0.00 C ATOM 170 O3' U A 18 -2.798 10.488 3.356 1.00 0.00 O ATOM 171 C2' U A 18 -1.707 9.114 1.742 1.00 0.00 C ATOM 172 O2' U A 18 -0.661 9.975 2.196 1.00 0.00 O ATOM 173 C1' U A 18 -1.382 7.657 2.024 1.00 0.00 C ATOM 174 N1 U A 18 -1.140 6.953 0.757 1.00 0.00 N ATOM 175 C2 U A 18 0.171 6.793 0.362 1.00 0.00 C ATOM 176 O2 U A 18 1.112 7.203 1.037 1.00 0.00 O ATOM 177 N3 U A 18 0.366 6.151 -0.845 1.00 0.00 N ATOM 178 C4 U A 18 -0.624 5.657 -1.677 1.00 0.00 C ATOM 179 O4 U A 18 -0.331 5.103 -2.735 1.00 0.00 O ATOM 180 C5 U A 18 -1.971 5.869 -1.180 1.00 0.00 C ATOM 181 C6 U A 18 -2.181 6.502 0.000 1.00 0.00 C ATOM 0 H5' U A 18 -4.899 6.779 3.653 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.283 8.452 4.008 1.00 0.00 H new ATOM 0 H4' U A 18 -2.994 8.292 4.360 1.00 0.00 H new ATOM 0 H3' U A 18 -3.831 9.593 1.797 1.00 0.00 H new ATOM 0 H2' U A 18 -1.803 9.310 0.674 1.00 0.00 H new ATOM 0 HO2' U A 18 0.186 9.706 1.784 1.00 0.00 H new ATOM 0 H1' U A 18 -0.481 7.559 2.629 1.00 0.00 H new ATOM 0 H3 U A 18 1.331 6.029 -1.153 1.00 0.00 H new ATOM 0 H5 U A 18 -2.815 5.519 -1.756 1.00 0.00 H new ATOM 0 H6 U A 18 -3.192 6.652 0.348 1.00 0.00 H new ATOM 192 P G A 19 -2.707 11.986 2.775 1.00 0.00 P ATOM 193 OP1 G A 19 -2.997 12.933 3.875 1.00 0.00 O ATOM 194 OP2 G A 19 -3.485 12.048 1.518 1.00 0.00 O ATOM 195 O5' G A 19 -1.139 12.098 2.409 1.00 0.00 O ATOM 196 C5' G A 19 -0.166 12.081 3.460 1.00 0.00 C ATOM 197 C4' G A 19 1.261 11.871 2.947 1.00 0.00 C ATOM 198 O4' G A 19 1.451 10.567 2.410 1.00 0.00 O ATOM 199 C3' G A 19 1.607 12.795 1.801 1.00 0.00 C ATOM 200 O3' G A 19 1.916 14.117 2.259 1.00 0.00 O ATOM 201 C2' G A 19 2.832 12.096 1.224 1.00 0.00 C ATOM 202 O2' G A 19 4.030 12.492 1.900 1.00 0.00 O ATOM 203 C1' G A 19 2.522 10.617 1.455 1.00 0.00 C ATOM 204 N9 G A 19 2.144 9.969 0.187 1.00 0.00 N ATOM 205 C8 G A 19 0.918 9.676 -0.290 1.00 0.00 C ATOM 206 N7 G A 19 0.841 9.072 -1.426 1.00 0.00 N ATOM 207 C5 G A 19 2.189 8.943 -1.767 1.00 0.00 C ATOM 208 C6 G A 19 2.782 8.360 -2.915 1.00 0.00 C ATOM 209 O6 G A 19 2.226 7.826 -3.872 1.00 0.00 O ATOM 210 N1 G A 19 4.167 8.441 -2.868 1.00 0.00 N ATOM 211 C2 G A 19 4.898 9.015 -1.846 1.00 0.00 C ATOM 212 N2 G A 19 6.221 9.013 -1.995 1.00 0.00 N ATOM 213 N3 G A 19 4.345 9.564 -0.759 1.00 0.00 N ATOM 214 C4 G A 19 2.996 9.494 -0.783 1.00 0.00 C ATOM 0 H5' G A 19 -0.414 11.287 4.165 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.215 13.022 4.009 1.00 0.00 H new ATOM 0 H4' G A 19 1.884 12.055 3.822 1.00 0.00 H new ATOM 0 H3' G A 19 0.798 12.945 1.086 1.00 0.00 H new ATOM 0 H2' G A 19 3.009 12.339 0.176 1.00 0.00 H new ATOM 0 HO2' G A 19 3.858 13.304 2.422 1.00 0.00 H new ATOM 0 HO3' G A 19 2.136 14.686 1.492 1.00 0.00 H new ATOM 0 H1' G A 19 3.393 10.080 1.832 1.00 0.00 H new ATOM 0 H8 G A 19 0.028 9.939 0.262 1.00 0.00 H new ATOM 0 H1 G A 19 4.687 8.045 -3.651 1.00 0.00 H new ATOM 0 H21 G A 19 6.816 9.422 -1.275 1.00 0.00 H new ATOM 0 H22 G A 19 6.640 8.602 -2.830 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.252 4.526 -8.000 1.00 0.00 O ATOM 229 C5' C B 59 9.668 4.391 -8.100 1.00 0.00 C ATOM 230 C4' C B 59 10.412 5.313 -7.127 1.00 0.00 C ATOM 231 O4' C B 59 10.023 6.690 -7.302 1.00 0.00 O ATOM 232 C3' C B 59 10.077 4.983 -5.674 1.00 0.00 C ATOM 233 O3' C B 59 11.100 4.138 -5.146 1.00 0.00 O ATOM 234 C2' C B 59 10.178 6.336 -4.998 1.00 0.00 C ATOM 235 O2' C B 59 11.541 6.703 -4.749 1.00 0.00 O ATOM 236 C1' C B 59 9.545 7.216 -6.050 1.00 0.00 C ATOM 237 N1 C B 59 8.078 7.130 -5.973 1.00 0.00 N ATOM 238 C2 C B 59 7.437 7.754 -4.917 1.00 0.00 C ATOM 239 O2 C B 59 8.087 8.385 -4.086 1.00 0.00 O ATOM 240 N3 C B 59 6.082 7.637 -4.828 1.00 0.00 N ATOM 241 C4 C B 59 5.394 6.932 -5.740 1.00 0.00 C ATOM 242 N4 C B 59 4.068 6.839 -5.635 1.00 0.00 N ATOM 243 C5 C B 59 6.066 6.289 -6.827 1.00 0.00 C ATOM 244 C6 C B 59 7.391 6.420 -6.898 1.00 0.00 C ATOM 0 H5' C B 59 9.981 4.615 -9.120 1.00 0.00 H new ATOM 0 H5'' C B 59 9.947 3.356 -7.901 1.00 0.00 H new ATOM 0 H4' C B 59 11.471 5.163 -7.339 1.00 0.00 H new ATOM 0 H3' C B 59 9.115 4.487 -5.544 1.00 0.00 H new ATOM 0 H2' C B 59 9.707 6.391 -4.017 1.00 0.00 H new ATOM 0 HO2' C B 59 12.121 5.926 -4.894 1.00 0.00 H new ATOM 0 HO5' C B 59 8.012 5.476 -8.013 1.00 0.00 H new ATOM 0 H1' C B 59 9.802 8.268 -5.924 1.00 0.00 H new ATOM 0 H41 C B 59 3.538 6.305 -6.324 1.00 0.00 H new ATOM 0 H42 C B 59 3.584 7.302 -4.866 1.00 0.00 H new ATOM 0 H5 C B 59 5.520 5.718 -7.563 1.00 0.00 H new ATOM 0 H6 C B 59 7.927 5.950 -7.710 1.00 0.00 H new ATOM 257 P A B 60 10.752 3.074 -3.991 1.00 0.00 P ATOM 258 OP1 A B 60 12.006 2.397 -3.589 1.00 0.00 O ATOM 259 OP2 A B 60 9.590 2.273 -4.434 1.00 0.00 O ATOM 260 O5' A B 60 10.279 4.021 -2.777 1.00 0.00 O ATOM 261 C5' A B 60 11.172 4.990 -2.223 1.00 0.00 C ATOM 262 C4' A B 60 10.518 5.780 -1.093 1.00 0.00 C ATOM 263 O4' A B 60 9.578 6.747 -1.586 1.00 0.00 O ATOM 264 C3' A B 60 9.704 4.873 -0.189 1.00 0.00 C ATOM 265 O3' A B 60 10.565 4.335 0.821 1.00 0.00 O ATOM 266 C2' A B 60 8.751 5.865 0.445 1.00 0.00 C ATOM 267 O2' A B 60 9.389 6.617 1.483 1.00 0.00 O ATOM 268 C1' A B 60 8.403 6.743 -0.750 1.00 0.00 C ATOM 269 N9 A B 60 7.229 6.218 -1.477 1.00 0.00 N ATOM 270 C8 A B 60 7.162 5.464 -2.606 1.00 0.00 C ATOM 271 N7 A B 60 5.989 5.137 -3.036 1.00 0.00 N ATOM 272 C5 A B 60 5.162 5.744 -2.085 1.00 0.00 C ATOM 273 C6 A B 60 3.771 5.797 -1.935 1.00 0.00 C ATOM 274 N6 A B 60 2.924 5.203 -2.780 1.00 0.00 N ATOM 275 N1 A B 60 3.289 6.486 -0.883 1.00 0.00 N ATOM 276 C2 A B 60 4.124 7.087 -0.029 1.00 0.00 C ATOM 277 N3 A B 60 5.451 7.096 -0.076 1.00 0.00 N ATOM 278 C4 A B 60 5.909 6.402 -1.135 1.00 0.00 C ATOM 0 H5' A B 60 11.496 5.676 -3.006 1.00 0.00 H new ATOM 0 H5'' A B 60 12.065 4.490 -1.848 1.00 0.00 H new ATOM 0 H4' A B 60 11.343 6.258 -0.565 1.00 0.00 H new ATOM 0 H3' A B 60 9.219 4.037 -0.693 1.00 0.00 H new ATOM 0 H2' A B 60 7.889 5.410 0.932 1.00 0.00 H new ATOM 0 HO2' A B 60 10.206 6.156 1.767 1.00 0.00 H new ATOM 0 H1' A B 60 8.133 7.752 -0.438 1.00 0.00 H new ATOM 0 H8 A B 60 8.056 5.150 -3.124 1.00 0.00 H new ATOM 0 H61 A B 60 1.918 5.272 -2.626 1.00 0.00 H new ATOM 0 H62 A B 60 3.283 4.681 -3.579 1.00 0.00 H new ATOM 0 H2 A B 60 3.669 7.625 0.790 1.00 0.00 H new ATOM 290 P G B 61 10.427 2.789 1.260 1.00 0.00 P ATOM 291 OP1 G B 61 11.603 2.437 2.088 1.00 0.00 O ATOM 292 OP2 G B 61 10.109 1.992 0.054 1.00 0.00 O ATOM 293 O5' G B 61 9.130 2.803 2.210 1.00 0.00 O ATOM 294 C5' G B 61 9.204 3.348 3.528 1.00 0.00 C ATOM 295 C4' G B 61 7.819 3.541 4.134 1.00 0.00 C ATOM 296 O4' G B 61 7.032 4.422 3.332 1.00 0.00 O ATOM 297 C3' G B 61 7.037 2.238 4.185 1.00 0.00 C ATOM 298 O3' G B 61 7.223 1.633 5.468 1.00 0.00 O ATOM 299 C2' G B 61 5.591 2.679 4.085 1.00 0.00 C ATOM 300 O2' G B 61 5.007 2.872 5.379 1.00 0.00 O ATOM 301 C1' G B 61 5.664 3.980 3.305 1.00 0.00 C ATOM 302 N9 G B 61 5.188 3.756 1.931 1.00 0.00 N ATOM 303 C8 G B 61 5.876 3.530 0.784 1.00 0.00 C ATOM 304 N7 G B 61 5.193 3.331 -0.293 1.00 0.00 N ATOM 305 C5 G B 61 3.882 3.429 0.183 1.00 0.00 C ATOM 306 C6 G B 61 2.649 3.301 -0.507 1.00 0.00 C ATOM 307 O6 G B 61 2.461 3.076 -1.700 1.00 0.00 O ATOM 308 N1 G B 61 1.569 3.465 0.352 1.00 0.00 N ATOM 309 C2 G B 61 1.660 3.721 1.704 1.00 0.00 C ATOM 310 N2 G B 61 0.510 3.835 2.361 1.00 0.00 N ATOM 311 N3 G B 61 2.813 3.844 2.356 1.00 0.00 N ATOM 312 C4 G B 61 3.877 3.688 1.543 1.00 0.00 C ATOM 0 H5' G B 61 9.725 4.305 3.498 1.00 0.00 H new ATOM 0 H5'' G B 61 9.791 2.685 4.164 1.00 0.00 H new ATOM 0 H4' G B 61 7.988 3.937 5.135 1.00 0.00 H new ATOM 0 H3' G B 61 7.338 1.533 3.410 1.00 0.00 H new ATOM 0 H2' G B 61 4.959 1.935 3.601 1.00 0.00 H new ATOM 0 HO2' G B 61 4.040 2.718 5.328 1.00 0.00 H new ATOM 0 H1' G B 61 5.029 4.749 3.745 1.00 0.00 H new ATOM 0 H8 G B 61 6.956 3.517 0.772 1.00 0.00 H new ATOM 0 H1 G B 61 0.634 3.390 -0.050 1.00 0.00 H new ATOM 0 H21 G B 61 0.512 4.024 3.363 1.00 0.00 H new ATOM 0 H22 G B 61 -0.374 3.733 1.863 1.00 0.00 H new ATOM 324 P U B 62 6.719 0.123 5.732 1.00 0.00 P ATOM 325 OP1 U B 62 7.431 -0.405 6.917 1.00 0.00 O ATOM 326 OP2 U B 62 6.764 -0.615 4.449 1.00 0.00 O ATOM 327 O5' U B 62 5.174 0.360 6.129 1.00 0.00 O ATOM 328 C5' U B 62 4.861 1.044 7.346 1.00 0.00 C ATOM 329 C4' U B 62 3.403 1.501 7.413 1.00 0.00 C ATOM 330 O4' U B 62 3.057 2.328 6.296 1.00 0.00 O ATOM 331 C3' U B 62 2.408 0.357 7.346 1.00 0.00 C ATOM 332 O3' U B 62 2.211 -0.197 8.648 1.00 0.00 O ATOM 333 C2' U B 62 1.155 1.109 6.956 1.00 0.00 C ATOM 334 O2' U B 62 0.622 1.858 8.055 1.00 0.00 O ATOM 335 C1' U B 62 1.713 2.017 5.877 1.00 0.00 C ATOM 336 N1 U B 62 1.709 1.323 4.585 1.00 0.00 N ATOM 337 C2 U B 62 0.511 1.232 3.899 1.00 0.00 C ATOM 338 O2 U B 62 -0.542 1.664 4.361 1.00 0.00 O ATOM 339 N3 U B 62 0.566 0.605 2.666 1.00 0.00 N ATOM 340 C4 U B 62 1.702 0.077 2.074 1.00 0.00 C ATOM 341 O4 U B 62 1.646 -0.439 0.960 1.00 0.00 O ATOM 342 C5 U B 62 2.900 0.216 2.876 1.00 0.00 C ATOM 343 C6 U B 62 2.862 0.817 4.082 1.00 0.00 C ATOM 0 H5' U B 62 5.513 1.911 7.448 1.00 0.00 H new ATOM 0 H5'' U B 62 5.070 0.387 8.190 1.00 0.00 H new ATOM 0 H4' U B 62 3.341 2.024 8.368 1.00 0.00 H new ATOM 0 H3' U B 62 2.702 -0.459 6.686 1.00 0.00 H new ATOM 0 H2' U B 62 0.323 0.479 6.640 1.00 0.00 H new ATOM 0 HO2' U B 62 1.029 1.547 8.891 1.00 0.00 H new ATOM 0 H1' U B 62 1.119 2.922 5.749 1.00 0.00 H new ATOM 0 H3 U B 62 -0.308 0.524 2.147 1.00 0.00 H new ATOM 0 H5 U B 62 3.838 -0.168 2.502 1.00 0.00 H new ATOM 0 H6 U B 62 3.770 0.897 4.661 1.00 0.00 H new ATOM 354 P G B 63 1.652 -1.699 8.801 1.00 0.00 P ATOM 355 OP1 G B 63 1.449 -1.973 10.241 1.00 0.00 O ATOM 356 OP2 G B 63 2.506 -2.596 7.992 1.00 0.00 O ATOM 357 O5' G B 63 0.203 -1.610 8.096 1.00 0.00 O ATOM 358 C5' G B 63 -0.817 -0.768 8.640 1.00 0.00 C ATOM 359 C4' G B 63 -2.132 -0.880 7.866 1.00 0.00 C ATOM 360 O4' G B 63 -2.082 -0.203 6.607 1.00 0.00 O ATOM 361 C3' G B 63 -2.461 -2.318 7.513 1.00 0.00 C ATOM 362 O3' G B 63 -3.145 -2.908 8.619 1.00 0.00 O ATOM 363 C2' G B 63 -3.438 -2.128 6.369 1.00 0.00 C ATOM 364 O2' G B 63 -4.748 -1.794 6.842 1.00 0.00 O ATOM 365 C1' G B 63 -2.801 -0.974 5.622 1.00 0.00 C ATOM 366 N9 G B 63 -1.896 -1.471 4.570 1.00 0.00 N ATOM 367 C8 G B 63 -0.547 -1.568 4.573 1.00 0.00 C ATOM 368 N7 G B 63 0.028 -1.971 3.493 1.00 0.00 N ATOM 369 C5 G B 63 -1.064 -2.184 2.654 1.00 0.00 C ATOM 370 C6 G B 63 -1.099 -2.637 1.314 1.00 0.00 C ATOM 371 O6 G B 63 -0.154 -2.937 0.588 1.00 0.00 O ATOM 372 N1 G B 63 -2.399 -2.717 0.838 1.00 0.00 N ATOM 373 C2 G B 63 -3.534 -2.405 1.559 1.00 0.00 C ATOM 374 N2 G B 63 -4.698 -2.573 0.932 1.00 0.00 N ATOM 375 N3 G B 63 -3.510 -1.972 2.824 1.00 0.00 N ATOM 376 C4 G B 63 -2.250 -1.884 3.307 1.00 0.00 C ATOM 0 H5' G B 63 -0.477 0.267 8.627 1.00 0.00 H new ATOM 0 H5'' G B 63 -0.987 -1.034 9.683 1.00 0.00 H new ATOM 0 H4' G B 63 -2.875 -0.440 8.531 1.00 0.00 H new ATOM 0 H3' G B 63 -1.602 -2.944 7.273 1.00 0.00 H new ATOM 0 H2' G B 63 -3.592 -3.020 5.762 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.759 -1.820 7.822 1.00 0.00 H new ATOM 0 H1' G B 63 -3.551 -0.362 5.121 1.00 0.00 H new ATOM 0 H8 G B 63 0.029 -1.316 5.451 1.00 0.00 H new ATOM 0 H1 G B 63 -2.527 -3.032 -0.124 1.00 0.00 H new ATOM 0 H21 G B 63 -5.572 -2.359 1.413 1.00 0.00 H new ATOM 0 H22 G B 63 -4.715 -2.915 -0.029 1.00 0.00 H new ATOM 388 P U B 64 -2.851 -4.432 9.034 1.00 0.00 P ATOM 389 OP1 U B 64 -3.444 -4.674 10.368 1.00 0.00 O ATOM 390 OP2 U B 64 -1.416 -4.708 8.801 1.00 0.00 O ATOM 391 O5' U B 64 -3.705 -5.249 7.946 1.00 0.00 O ATOM 392 C5' U B 64 -5.101 -4.991 7.789 1.00 0.00 C ATOM 393 C4' U B 64 -5.661 -5.687 6.556 1.00 0.00 C ATOM 394 O4' U B 64 -5.403 -4.947 5.359 1.00 0.00 O ATOM 395 C3' U B 64 -4.991 -7.027 6.338 1.00 0.00 C ATOM 396 O3' U B 64 -5.699 -8.020 7.082 1.00 0.00 O ATOM 397 C2' U B 64 -5.228 -7.259 4.861 1.00 0.00 C ATOM 398 O2' U B 64 -6.529 -7.807 4.618 1.00 0.00 O ATOM 399 C1' U B 64 -5.100 -5.859 4.288 1.00 0.00 C ATOM 400 N1 U B 64 -3.752 -5.612 3.738 1.00 0.00 N ATOM 401 C2 U B 64 -3.583 -5.818 2.381 1.00 0.00 C ATOM 402 O2 U B 64 -4.493 -6.227 1.664 1.00 0.00 O ATOM 403 N3 U B 64 -2.326 -5.544 1.876 1.00 0.00 N ATOM 404 C4 U B 64 -1.236 -5.092 2.604 1.00 0.00 C ATOM 405 O4 U B 64 -0.159 -4.877 2.051 1.00 0.00 O ATOM 406 C5 U B 64 -1.504 -4.910 4.015 1.00 0.00 C ATOM 407 C6 U B 64 -2.727 -5.169 4.529 1.00 0.00 C ATOM 0 H5' U B 64 -5.267 -3.917 7.709 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.637 -5.331 8.675 1.00 0.00 H new ATOM 0 H4' U B 64 -6.731 -5.783 6.741 1.00 0.00 H new ATOM 0 H3' U B 64 -3.943 -7.062 6.636 1.00 0.00 H new ATOM 0 H2' U B 64 -4.537 -7.976 4.417 1.00 0.00 H new ATOM 0 HO2' U B 64 -6.953 -8.033 5.472 1.00 0.00 H new ATOM 0 H1' U B 64 -5.788 -5.724 3.454 1.00 0.00 H new ATOM 0 H3 U B 64 -2.187 -5.688 0.876 1.00 0.00 H new ATOM 0 H5 U B 64 -0.716 -4.562 4.666 1.00 0.00 H new ATOM 0 H6 U B 64 -2.899 -5.023 5.585 1.00 0.00 H new ATOM 418 P C B 65 -4.894 -9.193 7.836 1.00 0.00 P ATOM 419 OP1 C B 65 -5.825 -9.870 8.767 1.00 0.00 O ATOM 420 OP2 C B 65 -3.622 -8.631 8.341 1.00 0.00 O ATOM 421 O5' C B 65 -4.555 -10.210 6.636 1.00 0.00 O ATOM 422 C5' C B 65 -5.610 -10.828 5.899 1.00 0.00 C ATOM 423 C4' C B 65 -5.088 -11.587 4.685 1.00 0.00 C ATOM 424 O4' C B 65 -4.833 -10.714 3.588 1.00 0.00 O ATOM 425 C3' C B 65 -3.765 -12.269 4.977 1.00 0.00 C ATOM 426 O3' C B 65 -3.956 -13.539 5.613 1.00 0.00 O ATOM 427 C2' C B 65 -3.186 -12.424 3.583 1.00 0.00 C ATOM 428 O2' C B 65 -3.685 -13.598 2.933 1.00 0.00 O ATOM 429 C1' C B 65 -3.663 -11.153 2.884 1.00 0.00 C ATOM 430 N1 C B 65 -2.628 -10.116 2.917 1.00 0.00 N ATOM 431 C2 C B 65 -1.801 -9.996 1.818 1.00 0.00 C ATOM 432 O2 C B 65 -1.926 -10.763 0.866 1.00 0.00 O ATOM 433 N3 C B 65 -0.861 -9.011 1.823 1.00 0.00 N ATOM 434 C4 C B 65 -0.747 -8.179 2.868 1.00 0.00 C ATOM 435 N4 C B 65 0.204 -7.243 2.856 1.00 0.00 N ATOM 436 C5 C B 65 -1.612 -8.304 4.002 1.00 0.00 C ATOM 437 C6 C B 65 -2.522 -9.286 3.985 1.00 0.00 C ATOM 0 H5' C B 65 -6.319 -10.067 5.574 1.00 0.00 H new ATOM 0 H5'' C B 65 -6.154 -11.513 6.549 1.00 0.00 H new ATOM 0 H4' C B 65 -5.865 -12.312 4.444 1.00 0.00 H new ATOM 0 H3' C B 65 -3.124 -11.715 5.663 1.00 0.00 H new ATOM 0 H2' C B 65 -2.103 -12.543 3.576 1.00 0.00 H new ATOM 0 HO2' C B 65 -4.027 -14.224 3.605 1.00 0.00 H new ATOM 0 HO3' C B 65 -3.085 -13.953 5.786 1.00 0.00 H new ATOM 0 H1' C B 65 -3.882 -11.349 1.834 1.00 0.00 H new ATOM 0 H41 C B 65 0.301 -6.604 3.645 1.00 0.00 H new ATOM 0 H42 C B 65 0.834 -7.167 2.058 1.00 0.00 H new ATOM 0 H5 C B 65 -1.533 -7.630 4.842 1.00 0.00 H new ATOM 0 H6 C B 65 -3.179 -9.419 4.831 1.00 0.00 H new TER 450 C B 65