USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 256 hydrogens (24 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 Set 1.1: A 6 A O2' : rot 18:sc= 0.101 USER MOD Set 1.2: A 7 G O2' : rot -22:sc= 0.0253 USER MOD Single : A 1 C O2' : rot -22:sc= 0.0257 USER MOD Single : A 1 C O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -18:sc= 0.0207 USER MOD Single : A 3 G O2' : rot -19:sc= 0.0317 USER MOD Single : A 4 G O2' : rot -27:sc= 0.0362 USER MOD Single : A 5 C O2' : rot -70:sc= 0.207 USER MOD Single : A 8 U O2' : rot -28:sc= 0.0367 USER MOD Single : A 9 G O2' : rot -18:sc= 0.0526 USER MOD Single : A 10 U O2' : rot -69:sc= 0.0261 USER MOD Single : A 11 G O2' : rot 151:sc= 0.0138 USER MOD Single : A 11 G O3' : rot 128:sc= 0.079 USER MOD Single : B 12 C O2' : rot -17:sc= 0.0349 USER MOD Single : B 12 C O5' : rot 180:sc= 0 USER MOD Single : B 13 A O2' : rot 180:sc=-0.00149 USER MOD Single : B 14 C O2' : rot -23:sc= 0.0276 USER MOD Single : B 15 A O2' : rot -22:sc= 0.0225 USER MOD Single : B 16 C O2' : rot 180:sc= -0.0694 USER MOD Single : B 17 G O2' : rot -16:sc= 0.026 USER MOD Single : B 18 U O2' : rot -20:sc= 0.0253 USER MOD Single : B 19 C O2' : rot -22:sc= 0.021 USER MOD Single : B 20 G O2' : rot -17:sc= 0.0318 USER MOD Single : B 21 G O2' : rot 180:sc= 0 USER MOD Single : B 21 G O3' : rot 142:sc= 0.0252 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 -3.877 -4.631 10.499 1.00 0.00 O ATOM 2 C5' C A 1 -3.965 -5.172 11.808 1.00 0.00 C ATOM 3 C4' C A 1 -3.023 -6.372 12.022 1.00 0.00 C ATOM 4 O4' C A 1 -3.423 -7.519 11.278 1.00 0.00 O ATOM 5 C3' C A 1 -1.555 -6.110 11.682 1.00 0.00 C ATOM 6 O3' C A 1 -0.849 -5.347 12.667 1.00 0.00 O ATOM 7 C2' C A 1 -1.061 -7.563 11.584 1.00 0.00 C ATOM 8 O2' C A 1 -0.886 -8.168 12.870 1.00 0.00 O ATOM 9 C1' C A 1 -2.252 -8.247 10.900 1.00 0.00 C ATOM 10 N1 C A 1 -2.082 -8.289 9.413 1.00 0.00 N ATOM 11 C2 C A 1 -1.298 -9.312 8.861 1.00 0.00 C ATOM 12 O2 C A 1 -0.680 -10.122 9.567 1.00 0.00 O ATOM 13 N3 C A 1 -1.200 -9.451 7.518 1.00 0.00 N ATOM 14 C4 C A 1 -1.843 -8.608 6.740 1.00 0.00 C ATOM 15 N4 C A 1 -1.742 -8.814 5.458 1.00 0.00 N ATOM 16 C5 C A 1 -2.628 -7.530 7.231 1.00 0.00 C ATOM 17 C6 C A 1 -2.718 -7.399 8.579 1.00 0.00 C ATOM 0 H5' C A 1 -4.992 -5.483 11.999 1.00 0.00 H new ATOM 0 H5'' C A 1 -3.727 -4.395 12.534 1.00 0.00 H new ATOM 0 H4' C A 1 -3.105 -6.548 13.095 1.00 0.00 H new ATOM 0 H3' C A 1 -1.402 -5.498 10.793 1.00 0.00 H new ATOM 0 H2' C A 1 -0.100 -7.638 11.075 1.00 0.00 H new ATOM 0 HO2' C A 1 -0.768 -7.469 13.547 1.00 0.00 H new ATOM 0 HO5' C A 1 -4.495 -3.875 10.415 1.00 0.00 H new ATOM 0 H1' C A 1 -2.331 -9.287 11.217 1.00 0.00 H new ATOM 0 H41 C A 1 -2.218 -8.194 4.803 1.00 0.00 H new ATOM 0 H42 C A 1 -1.187 -9.595 5.109 1.00 0.00 H new ATOM 0 H5 C A 1 -3.130 -6.846 6.562 1.00 0.00 H new ATOM 0 H6 C A 1 -3.294 -6.589 9.001 1.00 0.00 H new ATOM 30 P C A 2 0.486 -4.560 12.267 1.00 0.00 P ATOM 31 OP1 C A 2 0.952 -3.865 13.495 1.00 0.00 O ATOM 32 OP2 C A 2 0.201 -3.745 11.069 1.00 0.00 O1- ATOM 33 O5' C A 2 1.550 -5.687 11.863 1.00 0.00 O ATOM 34 C5' C A 2 2.194 -6.470 12.861 1.00 0.00 C ATOM 35 C4' C A 2 3.088 -7.575 12.270 1.00 0.00 C ATOM 36 O4' C A 2 2.353 -8.504 11.478 1.00 0.00 O ATOM 37 C3' C A 2 4.225 -7.044 11.376 1.00 0.00 C ATOM 38 O3' C A 2 5.316 -6.482 12.091 1.00 0.00 O ATOM 39 C2' C A 2 4.587 -8.360 10.664 1.00 0.00 C ATOM 40 O2' C A 2 5.326 -9.250 11.501 1.00 0.00 O ATOM 41 C1' C A 2 3.203 -8.984 10.445 1.00 0.00 C ATOM 42 N1 C A 2 2.671 -8.650 9.091 1.00 0.00 N ATOM 43 C2 C A 2 3.031 -9.487 8.030 1.00 0.00 C ATOM 44 O2 C A 2 3.749 -10.477 8.169 1.00 0.00 O ATOM 45 N3 C A 2 2.608 -9.223 6.767 1.00 0.00 N ATOM 46 C4 C A 2 1.862 -8.147 6.570 1.00 0.00 C ATOM 47 N4 C A 2 1.481 -7.937 5.348 1.00 0.00 N ATOM 48 C5 C A 2 1.468 -7.250 7.610 1.00 0.00 C ATOM 49 C6 C A 2 1.908 -7.533 8.865 1.00 0.00 C ATOM 0 H5' C A 2 1.439 -6.925 13.502 1.00 0.00 H new ATOM 0 H5'' C A 2 2.799 -5.819 13.492 1.00 0.00 H new ATOM 0 H4' C A 2 3.509 -8.057 13.153 1.00 0.00 H new ATOM 0 H3' C A 2 3.950 -6.209 10.731 1.00 0.00 H new ATOM 0 H2' C A 2 5.195 -8.188 9.776 1.00 0.00 H new ATOM 0 HO2' C A 2 5.708 -8.751 12.252 1.00 0.00 H new ATOM 0 H1' C A 2 3.262 -10.072 10.487 1.00 0.00 H new ATOM 0 H41 C A 2 0.904 -7.126 5.126 1.00 0.00 H new ATOM 0 H42 C A 2 1.759 -8.583 4.609 1.00 0.00 H new ATOM 0 H5 C A 2 0.850 -6.388 7.409 1.00 0.00 H new ATOM 0 H6 C A 2 1.656 -6.877 9.685 1.00 0.00 H new ATOM 61 P G A 3 6.295 -5.447 11.362 1.00 0.00 P ATOM 62 OP1 G A 3 7.309 -5.018 12.356 1.00 0.00 O ATOM 63 OP2 G A 3 5.469 -4.413 10.717 1.00 0.00 O1- ATOM 64 O5' G A 3 7.047 -6.278 10.199 1.00 0.00 O ATOM 65 C5' G A 3 8.116 -7.174 10.490 1.00 0.00 C ATOM 66 C4' G A 3 8.639 -7.885 9.226 1.00 0.00 C ATOM 67 O4' G A 3 7.631 -8.677 8.594 1.00 0.00 O ATOM 68 C3' G A 3 9.150 -6.916 8.173 1.00 0.00 C ATOM 69 O3' G A 3 10.426 -6.373 8.490 1.00 0.00 O ATOM 70 C2' G A 3 9.144 -7.850 6.946 1.00 0.00 C ATOM 71 O2' G A 3 10.275 -8.731 6.934 1.00 0.00 O ATOM 72 C1' G A 3 7.874 -8.670 7.194 1.00 0.00 C ATOM 73 N9 G A 3 6.726 -8.076 6.466 1.00 0.00 N ATOM 74 C8 G A 3 5.836 -7.115 6.873 1.00 0.00 C ATOM 75 N7 G A 3 4.949 -6.787 5.961 1.00 0.00 N ATOM 76 C5 G A 3 5.318 -7.556 4.851 1.00 0.00 C ATOM 77 C6 G A 3 4.785 -7.653 3.509 1.00 0.00 C ATOM 78 O6 G A 3 3.823 -7.073 3.003 1.00 0.00 O ATOM 79 N1 G A 3 5.500 -8.508 2.688 1.00 0.00 N ATOM 80 C2 G A 3 6.570 -9.220 3.106 1.00 0.00 C ATOM 81 N2 G A 3 7.164 -9.982 2.228 1.00 0.00 N ATOM 82 N3 G A 3 7.071 -9.193 4.339 1.00 0.00 N ATOM 83 C4 G A 3 6.413 -8.333 5.157 1.00 0.00 C ATOM 0 H5' G A 3 7.778 -7.919 11.210 1.00 0.00 H new ATOM 0 H5'' G A 3 8.932 -6.624 10.959 1.00 0.00 H new ATOM 0 H4' G A 3 9.454 -8.512 9.589 1.00 0.00 H new ATOM 0 H3' G A 3 8.562 -6.007 8.046 1.00 0.00 H new ATOM 0 H2' G A 3 9.180 -7.308 6.001 1.00 0.00 H new ATOM 0 HO2' G A 3 10.976 -8.371 7.516 1.00 0.00 H new ATOM 0 H1' G A 3 8.001 -9.689 6.830 1.00 0.00 H new ATOM 0 H8 G A 3 5.862 -6.668 7.856 1.00 0.00 H new ATOM 0 H1 G A 3 5.204 -8.606 1.717 1.00 0.00 H new ATOM 0 H21 G A 3 7.976 -10.537 2.500 1.00 0.00 H new ATOM 0 H22 G A 3 6.817 -10.023 1.270 1.00 0.00 H new ATOM 95 P G A 4 11.016 -5.118 7.690 1.00 0.00 P ATOM 96 OP1 G A 4 12.345 -4.792 8.273 1.00 0.00 O ATOM 97 OP2 G A 4 9.970 -4.065 7.661 1.00 0.00 O1- ATOM 98 O5' G A 4 11.253 -5.713 6.217 1.00 0.00 O ATOM 99 C5' G A 4 11.010 -4.940 5.058 1.00 0.00 C ATOM 100 C4' G A 4 11.274 -5.758 3.792 1.00 0.00 C ATOM 101 O4' G A 4 10.234 -6.696 3.521 1.00 0.00 O ATOM 102 C3' G A 4 11.333 -4.858 2.559 1.00 0.00 C ATOM 103 O3' G A 4 12.589 -4.224 2.389 1.00 0.00 O ATOM 104 C2' G A 4 11.046 -5.868 1.445 1.00 0.00 C ATOM 105 O2' G A 4 12.172 -6.700 1.133 1.00 0.00 O ATOM 106 C1' G A 4 9.979 -6.727 2.119 1.00 0.00 C ATOM 107 N9 G A 4 8.612 -6.215 1.824 1.00 0.00 N ATOM 108 C8 G A 4 7.755 -5.553 2.668 1.00 0.00 C ATOM 109 N7 G A 4 6.598 -5.252 2.136 1.00 0.00 N ATOM 110 C5 G A 4 6.687 -5.766 0.835 1.00 0.00 C ATOM 111 C6 G A 4 5.750 -5.773 -0.258 1.00 0.00 C ATOM 112 O6 G A 4 4.574 -5.385 -0.292 1.00 0.00 O ATOM 113 N1 G A 4 6.256 -6.329 -1.418 1.00 0.00 N ATOM 114 C2 G A 4 7.500 -6.862 -1.513 1.00 0.00 C ATOM 115 N2 G A 4 7.860 -7.339 -2.677 1.00 0.00 N ATOM 116 N3 G A 4 8.393 -6.897 -0.528 1.00 0.00 N ATOM 117 C4 G A 4 7.926 -6.332 0.634 1.00 0.00 C ATOM 0 H5' G A 4 11.648 -4.056 5.065 1.00 0.00 H new ATOM 0 H5'' G A 4 9.978 -4.588 5.060 1.00 0.00 H new ATOM 0 H4' G A 4 12.219 -6.268 3.978 1.00 0.00 H new ATOM 0 H3' G A 4 10.641 -4.017 2.602 1.00 0.00 H new ATOM 0 H2' G A 4 10.775 -5.390 0.503 1.00 0.00 H new ATOM 0 HO2' G A 4 13.001 -6.223 1.348 1.00 0.00 H new ATOM 0 H1' G A 4 10.023 -7.748 1.740 1.00 0.00 H new ATOM 0 H8 G A 4 8.014 -5.302 3.686 1.00 0.00 H new ATOM 0 H1 G A 4 5.662 -6.339 -2.247 1.00 0.00 H new ATOM 0 H21 G A 4 8.786 -7.749 -2.796 1.00 0.00 H new ATOM 0 H22 G A 4 7.214 -7.300 -3.466 1.00 0.00 H new ATOM 129 P C A 5 12.683 -2.758 1.753 1.00 0.00 P ATOM 130 OP1 C A 5 14.121 -2.438 1.607 1.00 0.00 O ATOM 131 OP2 C A 5 11.809 -1.848 2.544 1.00 0.00 O1- ATOM 132 O5' C A 5 12.043 -2.911 0.282 1.00 0.00 O ATOM 133 C5' C A 5 12.734 -3.564 -0.777 1.00 0.00 C ATOM 134 C4' C A 5 11.905 -3.589 -2.069 1.00 0.00 C ATOM 135 O4' C A 5 10.674 -4.285 -1.912 1.00 0.00 O ATOM 136 C3' C A 5 11.541 -2.203 -2.589 1.00 0.00 C ATOM 137 O3' C A 5 12.637 -1.542 -3.204 1.00 0.00 O ATOM 138 C2' C A 5 10.409 -2.569 -3.556 1.00 0.00 C ATOM 139 O2' C A 5 10.859 -3.042 -4.830 1.00 0.00 O ATOM 140 C1' C A 5 9.724 -3.728 -2.822 1.00 0.00 C ATOM 141 N1 C A 5 8.494 -3.283 -2.114 1.00 0.00 N ATOM 142 C2 C A 5 7.293 -3.291 -2.838 1.00 0.00 C ATOM 143 O2 C A 5 7.235 -3.630 -4.018 1.00 0.00 O ATOM 144 N3 C A 5 6.140 -2.907 -2.255 1.00 0.00 N ATOM 145 C4 C A 5 6.156 -2.523 -0.998 1.00 0.00 C ATOM 146 N4 C A 5 4.999 -2.171 -0.506 1.00 0.00 N ATOM 147 C5 C A 5 7.340 -2.470 -0.211 1.00 0.00 C ATOM 148 C6 C A 5 8.502 -2.850 -0.804 1.00 0.00 C ATOM 0 H5' C A 5 12.974 -4.585 -0.479 1.00 0.00 H new ATOM 0 H5'' C A 5 13.680 -3.055 -0.962 1.00 0.00 H new ATOM 0 H4' C A 5 12.560 -4.096 -2.778 1.00 0.00 H new ATOM 0 H3' C A 5 11.253 -1.481 -1.825 1.00 0.00 H new ATOM 0 H2' C A 5 9.789 -1.701 -3.781 1.00 0.00 H new ATOM 0 HO2' C A 5 11.253 -2.300 -5.334 1.00 0.00 H new ATOM 0 H1' C A 5 9.401 -4.481 -3.541 1.00 0.00 H new ATOM 0 H41 C A 5 4.930 -1.861 0.463 1.00 0.00 H new ATOM 0 H42 C A 5 4.164 -2.206 -1.091 1.00 0.00 H new ATOM 0 H5 C A 5 7.316 -2.141 0.817 1.00 0.00 H new ATOM 0 H6 C A 5 9.429 -2.813 -0.251 1.00 0.00 H new ATOM 160 P A A 6 12.539 -0.033 -3.739 1.00 0.00 P ATOM 161 OP1 A A 6 13.898 0.378 -4.162 1.00 0.00 O ATOM 162 OP2 A A 6 11.802 0.779 -2.745 1.00 0.00 O1- ATOM 163 O5' A A 6 11.631 -0.193 -5.071 1.00 0.00 O ATOM 164 C5' A A 6 11.026 0.923 -5.706 1.00 0.00 C ATOM 165 C4' A A 6 12.014 1.795 -6.499 1.00 0.00 C ATOM 166 O4' A A 6 12.560 1.029 -7.582 1.00 0.00 O ATOM 167 C3' A A 6 11.285 3.005 -7.108 1.00 0.00 C ATOM 168 O3' A A 6 12.150 4.114 -7.258 1.00 0.00 O ATOM 169 C2' A A 6 10.864 2.443 -8.465 1.00 0.00 C ATOM 170 O2' A A 6 10.680 3.456 -9.454 1.00 0.00 O ATOM 171 C1' A A 6 12.013 1.491 -8.805 1.00 0.00 C ATOM 172 N9 A A 6 11.589 0.352 -9.658 1.00 0.00 N ATOM 173 C8 A A 6 10.612 -0.594 -9.421 1.00 0.00 C ATOM 174 N7 A A 6 10.466 -1.459 -10.401 1.00 0.00 N ATOM 175 C5 A A 6 11.413 -1.049 -11.351 1.00 0.00 C ATOM 176 C6 A A 6 11.804 -1.501 -12.639 1.00 0.00 C ATOM 177 N6 A A 6 11.276 -2.523 -13.293 1.00 0.00 N ATOM 178 N1 A A 6 12.753 -0.874 -13.333 1.00 0.00 N ATOM 179 C2 A A 6 13.333 0.179 -12.776 1.00 0.00 C ATOM 180 N3 A A 6 13.093 0.708 -11.566 1.00 0.00 N ATOM 181 C4 A A 6 12.095 0.054 -10.905 1.00 0.00 C ATOM 0 H5' A A 6 10.537 1.539 -4.951 1.00 0.00 H new ATOM 0 H5'' A A 6 10.247 0.568 -6.380 1.00 0.00 H new ATOM 0 H4' A A 6 12.799 2.130 -5.821 1.00 0.00 H new ATOM 0 H3' A A 6 10.462 3.381 -6.500 1.00 0.00 H new ATOM 0 H2' A A 6 9.892 1.950 -8.436 1.00 0.00 H new ATOM 0 HO2' A A 6 11.122 4.281 -9.164 1.00 0.00 H new ATOM 0 H1' A A 6 12.758 2.031 -9.390 1.00 0.00 H new ATOM 0 H8 A A 6 10.023 -0.621 -8.516 1.00 0.00 H new ATOM 0 H61 A A 6 11.626 -2.772 -14.218 1.00 0.00 H new ATOM 0 H62 A A 6 10.519 -3.062 -12.872 1.00 0.00 H new ATOM 0 H2 A A 6 14.091 0.671 -13.367 1.00 0.00 H new ATOM 193 P G A 7 12.380 5.173 -6.071 1.00 0.00 P ATOM 194 OP1 G A 7 13.652 5.882 -6.356 1.00 0.00 O ATOM 195 OP2 G A 7 12.248 4.477 -4.771 1.00 0.00 O1- ATOM 196 O5' G A 7 11.197 6.283 -6.196 1.00 0.00 O ATOM 197 C5' G A 7 9.872 6.091 -5.716 1.00 0.00 C ATOM 198 C4' G A 7 8.924 5.482 -6.768 1.00 0.00 C ATOM 199 O4' G A 7 8.247 4.330 -6.282 1.00 0.00 O ATOM 200 C3' G A 7 7.823 6.459 -7.191 1.00 0.00 C ATOM 201 O3' G A 7 8.269 7.390 -8.159 1.00 0.00 O ATOM 202 C2' G A 7 6.781 5.487 -7.749 1.00 0.00 C ATOM 203 O2' G A 7 7.124 4.971 -9.035 1.00 0.00 O ATOM 204 C1' G A 7 6.894 4.336 -6.747 1.00 0.00 C ATOM 205 N9 G A 7 5.952 4.480 -5.609 1.00 0.00 N ATOM 206 C8 G A 7 6.239 4.651 -4.286 1.00 0.00 C ATOM 207 N7 G A 7 5.195 4.631 -3.493 1.00 0.00 N ATOM 208 C5 G A 7 4.121 4.473 -4.379 1.00 0.00 C ATOM 209 C6 G A 7 2.696 4.407 -4.162 1.00 0.00 C ATOM 210 O6 G A 7 2.058 4.438 -3.100 1.00 0.00 O ATOM 211 N1 G A 7 1.963 4.302 -5.336 1.00 0.00 N ATOM 212 C2 G A 7 2.519 4.253 -6.565 1.00 0.00 C ATOM 213 N2 G A 7 1.710 4.161 -7.582 1.00 0.00 N ATOM 214 N3 G A 7 3.831 4.283 -6.811 1.00 0.00 N ATOM 215 C4 G A 7 4.582 4.407 -5.677 1.00 0.00 C ATOM 0 H5' G A 7 9.470 7.049 -5.386 1.00 0.00 H new ATOM 0 H5'' G A 7 9.900 5.440 -4.842 1.00 0.00 H new ATOM 0 H4' G A 7 9.574 5.232 -7.606 1.00 0.00 H new ATOM 0 H3' G A 7 7.456 7.098 -6.388 1.00 0.00 H new ATOM 0 H2' G A 7 5.804 5.957 -7.865 1.00 0.00 H new ATOM 0 HO2' G A 7 7.759 5.576 -9.472 1.00 0.00 H new ATOM 0 H1' G A 7 6.630 3.397 -7.233 1.00 0.00 H new ATOM 0 H8 G A 7 7.246 4.792 -3.921 1.00 0.00 H new ATOM 0 H1 G A 7 0.946 4.259 -5.266 1.00 0.00 H new ATOM 0 H21 G A 7 2.085 4.121 -8.530 1.00 0.00 H new ATOM 0 H22 G A 7 0.702 4.129 -7.430 1.00 0.00 H new ATOM 227 P U A 8 7.626 8.839 -8.251 1.00 0.00 P ATOM 228 OP1 U A 8 8.276 9.573 -9.368 1.00 0.00 O ATOM 229 OP2 U A 8 7.637 9.427 -6.901 1.00 0.00 O1- ATOM 230 O5' U A 8 6.095 8.552 -8.653 1.00 0.00 O ATOM 231 C5' U A 8 5.750 8.093 -9.952 1.00 0.00 C ATOM 232 C4' U A 8 4.233 7.908 -10.111 1.00 0.00 C ATOM 233 O4' U A 8 3.686 6.945 -9.208 1.00 0.00 O ATOM 234 C3' U A 8 3.449 9.195 -9.889 1.00 0.00 C ATOM 235 O3' U A 8 3.541 10.065 -11.017 1.00 0.00 O ATOM 236 C2' U A 8 2.039 8.637 -9.654 1.00 0.00 C ATOM 237 O2' U A 8 1.365 8.284 -10.865 1.00 0.00 O ATOM 238 C1' U A 8 2.366 7.348 -8.885 1.00 0.00 C ATOM 239 N1 U A 8 2.212 7.533 -7.409 1.00 0.00 N ATOM 240 C2 U A 8 0.913 7.432 -6.893 1.00 0.00 C ATOM 241 O2 U A 8 -0.093 7.244 -7.581 1.00 0.00 O ATOM 242 N3 U A 8 0.759 7.571 -5.528 1.00 0.00 N ATOM 243 C4 U A 8 1.769 7.798 -4.628 1.00 0.00 C ATOM 244 O4 U A 8 1.514 7.883 -3.431 1.00 0.00 O ATOM 245 C5 U A 8 3.084 7.888 -5.215 1.00 0.00 C ATOM 246 C6 U A 8 3.279 7.767 -6.562 1.00 0.00 C ATOM 0 H5' U A 8 6.254 7.146 -10.148 1.00 0.00 H new ATOM 0 H5'' U A 8 6.109 8.805 -10.696 1.00 0.00 H new ATOM 0 H4' U A 8 4.128 7.567 -11.141 1.00 0.00 H new ATOM 0 H3' U A 8 3.804 9.821 -9.071 1.00 0.00 H new ATOM 0 H2' U A 8 1.384 9.354 -9.159 1.00 0.00 H new ATOM 0 HO2' U A 8 1.700 8.839 -11.600 1.00 0.00 H new ATOM 0 H1' U A 8 1.661 6.571 -9.181 1.00 0.00 H new ATOM 0 H3 U A 8 -0.188 7.499 -5.156 1.00 0.00 H new ATOM 0 H5 U A 8 3.936 8.055 -4.573 1.00 0.00 H new ATOM 0 H6 U A 8 4.276 7.855 -6.969 1.00 0.00 H new ATOM 257 P G A 9 3.043 11.579 -10.937 1.00 0.00 P ATOM 258 OP1 G A 9 3.347 12.230 -12.239 1.00 0.00 O ATOM 259 OP2 G A 9 3.554 12.185 -9.688 1.00 0.00 O1- ATOM 260 O5' G A 9 1.450 11.428 -10.827 1.00 0.00 O ATOM 261 C5' G A 9 0.669 12.354 -10.094 1.00 0.00 C ATOM 262 C4' G A 9 -0.773 11.857 -9.983 1.00 0.00 C ATOM 263 O4' G A 9 -0.871 10.676 -9.178 1.00 0.00 O ATOM 264 C3' G A 9 -1.650 12.925 -9.338 1.00 0.00 C ATOM 265 O3' G A 9 -2.159 13.840 -10.297 1.00 0.00 O ATOM 266 C2' G A 9 -2.744 12.072 -8.670 1.00 0.00 C ATOM 267 O2' G A 9 -3.778 11.677 -9.571 1.00 0.00 O ATOM 268 C1' G A 9 -1.955 10.815 -8.259 1.00 0.00 C ATOM 269 N9 G A 9 -1.418 10.906 -6.875 1.00 0.00 N ATOM 270 C8 G A 9 -0.113 11.007 -6.446 1.00 0.00 C ATOM 271 N7 G A 9 0.048 10.961 -5.153 1.00 0.00 N ATOM 272 C5 G A 9 -1.258 10.807 -4.668 1.00 0.00 C ATOM 273 C6 G A 9 -1.784 10.685 -3.327 1.00 0.00 C ATOM 274 O6 G A 9 -1.184 10.674 -2.255 1.00 0.00 O ATOM 275 N1 G A 9 -3.160 10.581 -3.286 1.00 0.00 N ATOM 276 C2 G A 9 -3.955 10.557 -4.375 1.00 0.00 C ATOM 277 N2 G A 9 -5.240 10.443 -4.184 1.00 0.00 N ATOM 278 N3 G A 9 -3.520 10.658 -5.625 1.00 0.00 N ATOM 279 C4 G A 9 -2.162 10.794 -5.713 1.00 0.00 C ATOM 0 H5' G A 9 0.689 13.327 -10.585 1.00 0.00 H new ATOM 0 H5'' G A 9 1.092 12.490 -9.099 1.00 0.00 H new ATOM 0 H4' G A 9 -1.106 11.634 -10.997 1.00 0.00 H new ATOM 0 H3' G A 9 -1.126 13.571 -8.634 1.00 0.00 H new ATOM 0 H2' G A 9 -3.245 12.614 -7.868 1.00 0.00 H new ATOM 0 HO2' G A 9 -3.756 12.250 -10.366 1.00 0.00 H new ATOM 0 H1' G A 9 -2.625 9.955 -8.281 1.00 0.00 H new ATOM 0 H8 G A 9 0.716 11.116 -7.130 1.00 0.00 H new ATOM 0 H1 G A 9 -3.605 10.518 -2.370 1.00 0.00 H new ATOM 0 H21 G A 9 -5.874 10.421 -4.982 1.00 0.00 H new ATOM 0 H22 G A 9 -5.611 10.376 -3.236 1.00 0.00 H new ATOM 291 P U A 10 -2.621 15.316 -9.866 1.00 0.00 P ATOM 292 OP1 U A 10 -3.208 15.960 -11.071 1.00 0.00 O ATOM 293 OP2 U A 10 -1.481 15.970 -9.174 1.00 0.00 O1- ATOM 294 O5' U A 10 -3.816 15.060 -8.819 1.00 0.00 O ATOM 295 C5' U A 10 -3.868 15.735 -7.571 1.00 0.00 C ATOM 296 C4' U A 10 -5.027 15.210 -6.728 1.00 0.00 C ATOM 297 O4' U A 10 -4.737 13.951 -6.130 1.00 0.00 O ATOM 298 C3' U A 10 -5.361 16.162 -5.579 1.00 0.00 C ATOM 299 O3' U A 10 -6.144 17.275 -6.001 1.00 0.00 O ATOM 300 C2' U A 10 -6.053 15.188 -4.618 1.00 0.00 C ATOM 301 O2' U A 10 -7.389 14.867 -4.984 1.00 0.00 O ATOM 302 C1' U A 10 -5.175 13.946 -4.767 1.00 0.00 C ATOM 303 N1 U A 10 -4.025 13.957 -3.797 1.00 0.00 N ATOM 304 C2 U A 10 -4.310 13.742 -2.439 1.00 0.00 C ATOM 305 O2 U A 10 -5.444 13.565 -1.998 1.00 0.00 O ATOM 306 N3 U A 10 -3.243 13.748 -1.564 1.00 0.00 N ATOM 307 C4 U A 10 -1.916 13.872 -1.908 1.00 0.00 C ATOM 308 O4 U A 10 -1.052 13.813 -1.037 1.00 0.00 O ATOM 309 C5 U A 10 -1.677 14.035 -3.332 1.00 0.00 C ATOM 310 C6 U A 10 -2.712 14.080 -4.218 1.00 0.00 C ATOM 0 H5' U A 10 -3.986 16.806 -7.735 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.929 15.595 -7.036 1.00 0.00 H new ATOM 0 H4' U A 10 -5.862 15.118 -7.422 1.00 0.00 H new ATOM 0 H3' U A 10 -4.515 16.677 -5.124 1.00 0.00 H new ATOM 0 H2' U A 10 -6.141 15.601 -3.613 1.00 0.00 H new ATOM 0 HO2' U A 10 -7.960 15.653 -4.858 1.00 0.00 H new ATOM 0 H1' U A 10 -5.724 13.034 -4.535 1.00 0.00 H new ATOM 0 H3 U A 10 -3.457 13.652 -0.571 1.00 0.00 H new ATOM 0 H5 U A 10 -0.663 14.122 -3.694 1.00 0.00 H new ATOM 0 H6 U A 10 -2.504 14.214 -5.269 1.00 0.00 H new ATOM 321 P G A 11 -6.492 18.452 -4.978 1.00 0.00 P ATOM 322 OP1 G A 11 -7.141 19.554 -5.728 1.00 0.00 O ATOM 323 OP2 G A 11 -5.275 18.744 -4.175 1.00 0.00 O1- ATOM 324 O5' G A 11 -7.587 17.779 -4.027 1.00 0.00 O ATOM 325 C5' G A 11 -7.987 18.421 -2.830 1.00 0.00 C ATOM 326 C4' G A 11 -8.945 17.541 -2.042 1.00 0.00 C ATOM 327 O4' G A 11 -8.252 16.421 -1.480 1.00 0.00 O ATOM 328 C3' G A 11 -9.566 18.298 -0.873 1.00 0.00 C ATOM 329 O3' G A 11 -10.795 17.699 -0.459 1.00 0.00 O ATOM 330 C2' G A 11 -8.457 18.128 0.185 1.00 0.00 C ATOM 331 O2' G A 11 -8.947 18.272 1.517 1.00 0.00 O ATOM 332 C1' G A 11 -7.900 16.729 -0.128 1.00 0.00 C ATOM 333 N9 G A 11 -6.435 16.631 0.104 1.00 0.00 N ATOM 334 C8 G A 11 -5.401 16.777 -0.788 1.00 0.00 C ATOM 335 N7 G A 11 -4.207 16.679 -0.258 1.00 0.00 N ATOM 336 C5 G A 11 -4.469 16.452 1.102 1.00 0.00 C ATOM 337 C6 G A 11 -3.592 16.281 2.234 1.00 0.00 C ATOM 338 O6 G A 11 -2.355 16.280 2.274 1.00 0.00 O ATOM 339 N1 G A 11 -4.268 16.082 3.432 1.00 0.00 N ATOM 340 C2 G A 11 -5.619 16.048 3.541 1.00 0.00 C ATOM 341 N2 G A 11 -6.122 15.932 4.741 1.00 0.00 N ATOM 342 N3 G A 11 -6.466 16.213 2.522 1.00 0.00 N ATOM 343 C4 G A 11 -5.831 16.411 1.322 1.00 0.00 C ATOM 0 H5' G A 11 -8.467 19.371 -3.064 1.00 0.00 H new ATOM 0 H5'' G A 11 -7.111 18.648 -2.223 1.00 0.00 H new ATOM 0 H4' G A 11 -9.717 17.221 -2.742 1.00 0.00 H new ATOM 0 H3' G A 11 -9.834 19.333 -1.084 1.00 0.00 H new ATOM 0 H2' G A 11 -7.686 18.897 0.136 1.00 0.00 H new ATOM 0 HO2' G A 11 -8.397 17.737 2.127 1.00 0.00 H new ATOM 0 HO3' G A 11 -10.769 17.533 0.507 1.00 0.00 H new ATOM 0 H1' G A 11 -8.338 15.999 0.552 1.00 0.00 H new ATOM 0 H8 G A 11 -5.559 16.958 -1.841 1.00 0.00 H new ATOM 0 H1 G A 11 -3.715 15.954 4.279 1.00 0.00 H new ATOM 0 H21 G A 11 -7.133 15.902 4.869 1.00 0.00 H new ATOM 0 H22 G A 11 -5.503 15.871 5.550 1.00 0.00 H new TER 356 G A 11 ATOM 357 O5' C B 12 -0.055 14.052 11.443 1.00 0.00 O ATOM 358 C5' C B 12 -1.149 14.464 12.259 1.00 0.00 C ATOM 359 C4' C B 12 -2.462 14.603 11.455 1.00 0.00 C ATOM 360 O4' C B 12 -2.348 15.637 10.477 1.00 0.00 O ATOM 361 C3' C B 12 -2.890 13.340 10.711 1.00 0.00 C ATOM 362 O3' C B 12 -3.508 12.369 11.555 1.00 0.00 O ATOM 363 C2' C B 12 -3.844 13.966 9.680 1.00 0.00 C ATOM 364 O2' C B 12 -5.151 14.214 10.215 1.00 0.00 O ATOM 365 C1' C B 12 -3.186 15.316 9.374 1.00 0.00 C ATOM 366 N1 C B 12 -2.432 15.265 8.085 1.00 0.00 N ATOM 367 C2 C B 12 -3.109 15.574 6.897 1.00 0.00 C ATOM 368 O2 C B 12 -4.305 15.861 6.886 1.00 0.00 O ATOM 369 N3 C B 12 -2.471 15.569 5.694 1.00 0.00 N ATOM 370 C4 C B 12 -1.189 15.262 5.682 1.00 0.00 C ATOM 371 N4 C B 12 -0.618 15.325 4.509 1.00 0.00 N ATOM 372 C5 C B 12 -0.445 14.924 6.848 1.00 0.00 C ATOM 373 C6 C B 12 -1.098 14.943 8.039 1.00 0.00 C ATOM 0 H5' C B 12 -0.910 15.419 12.728 1.00 0.00 H new ATOM 0 H5'' C B 12 -1.292 13.741 13.062 1.00 0.00 H new ATOM 0 H4' C B 12 -3.215 14.827 12.211 1.00 0.00 H new ATOM 0 H3' C B 12 -2.076 12.757 10.281 1.00 0.00 H new ATOM 0 H2' C B 12 -3.984 13.309 8.822 1.00 0.00 H new ATOM 0 HO2' C B 12 -5.273 13.692 11.035 1.00 0.00 H new ATOM 0 HO5' C B 12 0.753 13.979 11.992 1.00 0.00 H new ATOM 0 H1' C B 12 -3.937 16.095 9.247 1.00 0.00 H new ATOM 0 H41 C B 12 0.373 15.103 4.411 1.00 0.00 H new ATOM 0 H42 C B 12 -1.163 15.596 3.691 1.00 0.00 H new ATOM 0 H5 C B 12 0.601 14.662 6.788 1.00 0.00 H new ATOM 0 H6 C B 12 -0.568 14.705 8.949 1.00 0.00 H new ATOM 386 P A B 13 -3.847 10.887 11.013 1.00 0.00 P ATOM 387 OP1 A B 13 -4.443 10.136 12.141 1.00 0.00 O ATOM 388 OP2 A B 13 -2.625 10.349 10.368 1.00 0.00 O1- ATOM 389 O5' A B 13 -4.985 11.126 9.901 1.00 0.00 O ATOM 390 C5' A B 13 -5.032 10.360 8.702 1.00 0.00 C ATOM 391 C4' A B 13 -6.051 10.940 7.717 1.00 0.00 C ATOM 392 O4' A B 13 -5.622 12.213 7.228 1.00 0.00 O ATOM 393 C3' A B 13 -6.231 10.051 6.486 1.00 0.00 C ATOM 394 O3' A B 13 -7.102 8.954 6.723 1.00 0.00 O ATOM 395 C2' A B 13 -6.776 11.080 5.481 1.00 0.00 C ATOM 396 O2' A B 13 -8.149 11.444 5.697 1.00 0.00 O ATOM 397 C1' A B 13 -5.889 12.280 5.835 1.00 0.00 C ATOM 398 N9 A B 13 -4.610 12.258 5.081 1.00 0.00 N ATOM 399 C8 A B 13 -3.337 12.048 5.543 1.00 0.00 C ATOM 400 N7 A B 13 -2.401 12.195 4.647 1.00 0.00 N ATOM 401 C5 A B 13 -3.121 12.514 3.492 1.00 0.00 C ATOM 402 C6 A B 13 -2.779 12.821 2.152 1.00 0.00 C ATOM 403 N6 A B 13 -1.547 12.872 1.677 1.00 0.00 N ATOM 404 N1 A B 13 -3.722 13.100 1.249 1.00 0.00 N ATOM 405 C2 A B 13 -4.989 13.064 1.631 1.00 0.00 C ATOM 406 N3 A B 13 -5.465 12.814 2.845 1.00 0.00 N ATOM 407 C4 A B 13 -4.469 12.535 3.743 1.00 0.00 C ATOM 0 H5' A B 13 -5.294 9.328 8.936 1.00 0.00 H new ATOM 0 H5'' A B 13 -4.045 10.341 8.240 1.00 0.00 H new ATOM 0 H4' A B 13 -6.986 11.017 8.273 1.00 0.00 H new ATOM 0 H3' A B 13 -5.328 9.543 6.148 1.00 0.00 H new ATOM 0 H2' A B 13 -6.753 10.716 4.454 1.00 0.00 H new ATOM 0 HO2' A B 13 -8.423 12.100 5.023 1.00 0.00 H new ATOM 0 H1' A B 13 -6.404 13.203 5.570 1.00 0.00 H new ATOM 0 H8 A B 13 -3.126 11.782 6.568 1.00 0.00 H new ATOM 0 H61 A B 13 -1.388 13.101 0.696 1.00 0.00 H new ATOM 0 H62 A B 13 -0.755 12.682 2.291 1.00 0.00 H new ATOM 0 H2 A B 13 -5.723 13.262 0.864 1.00 0.00 H new ATOM 419 P C B 14 -7.025 7.624 5.843 1.00 0.00 P ATOM 420 OP1 C B 14 -8.078 6.701 6.320 1.00 0.00 O ATOM 421 OP2 C B 14 -5.624 7.173 5.836 1.00 0.00 O1- ATOM 422 O5' C B 14 -7.395 8.091 4.346 1.00 0.00 O ATOM 423 C5' C B 14 -8.720 8.473 3.994 1.00 0.00 C ATOM 424 C4' C B 14 -8.843 8.879 2.524 1.00 0.00 C ATOM 425 O4' C B 14 -8.048 10.024 2.196 1.00 0.00 O ATOM 426 C3' C B 14 -8.449 7.776 1.534 1.00 0.00 C ATOM 427 O3' C B 14 -9.452 6.785 1.383 1.00 0.00 O ATOM 428 C2' C B 14 -8.255 8.625 0.267 1.00 0.00 C ATOM 429 O2' C B 14 -9.486 9.021 -0.334 1.00 0.00 O ATOM 430 C1' C B 14 -7.589 9.875 0.848 1.00 0.00 C ATOM 431 N1 C B 14 -6.091 9.765 0.761 1.00 0.00 N ATOM 432 C2 C B 14 -5.472 10.061 -0.469 1.00 0.00 C ATOM 433 O2 C B 14 -6.118 10.333 -1.480 1.00 0.00 O ATOM 434 N3 C B 14 -4.125 10.047 -0.587 1.00 0.00 N ATOM 435 C4 C B 14 -3.404 9.706 0.463 1.00 0.00 C ATOM 436 N4 C B 14 -2.107 9.670 0.291 1.00 0.00 N ATOM 437 C5 C B 14 -3.962 9.372 1.725 1.00 0.00 C ATOM 438 C6 C B 14 -5.313 9.417 1.834 1.00 0.00 C ATOM 0 H5' C B 14 -9.034 9.305 4.625 1.00 0.00 H new ATOM 0 H5'' C B 14 -9.399 7.645 4.197 1.00 0.00 H new ATOM 0 H4' C B 14 -9.906 9.099 2.421 1.00 0.00 H new ATOM 0 H3' C B 14 -7.583 7.184 1.829 1.00 0.00 H new ATOM 0 H2' C B 14 -7.706 8.089 -0.507 1.00 0.00 H new ATOM 0 HO2' C B 14 -10.197 8.406 -0.059 1.00 0.00 H new ATOM 0 H1' C B 14 -7.860 10.763 0.278 1.00 0.00 H new ATOM 0 H41 C B 14 -1.497 9.413 1.067 1.00 0.00 H new ATOM 0 H42 C B 14 -1.707 9.899 -0.619 1.00 0.00 H new ATOM 0 H5 C B 14 -3.338 9.094 2.562 1.00 0.00 H new ATOM 0 H6 C B 14 -5.781 9.176 2.777 1.00 0.00 H new ATOM 450 P A B 15 -9.075 5.335 0.828 1.00 0.00 P ATOM 451 OP1 A B 15 -10.316 4.513 0.858 1.00 0.00 O ATOM 452 OP2 A B 15 -7.874 4.850 1.563 1.00 0.00 O1- ATOM 453 O5' A B 15 -8.638 5.527 -0.700 1.00 0.00 O ATOM 454 C5' A B 15 -9.593 5.714 -1.735 1.00 0.00 C ATOM 455 C4' A B 15 -8.944 5.941 -3.119 1.00 0.00 C ATOM 456 O4' A B 15 -8.096 7.083 -3.129 1.00 0.00 O ATOM 457 C3' A B 15 -8.100 4.759 -3.615 1.00 0.00 C ATOM 458 O3' A B 15 -8.883 3.688 -4.122 1.00 0.00 O ATOM 459 C2' A B 15 -7.269 5.467 -4.689 1.00 0.00 C ATOM 460 O2' A B 15 -8.017 5.721 -5.882 1.00 0.00 O ATOM 461 C1' A B 15 -6.996 6.805 -4.000 1.00 0.00 C ATOM 462 N9 A B 15 -5.736 6.786 -3.231 1.00 0.00 N ATOM 463 C8 A B 15 -5.521 6.645 -1.876 1.00 0.00 C ATOM 464 N7 A B 15 -4.283 6.794 -1.500 1.00 0.00 N ATOM 465 C5 A B 15 -3.618 7.030 -2.718 1.00 0.00 C ATOM 466 C6 A B 15 -2.274 7.295 -3.114 1.00 0.00 C ATOM 467 N6 A B 15 -1.237 7.412 -2.300 1.00 0.00 N ATOM 468 N1 A B 15 -1.942 7.451 -4.396 1.00 0.00 N ATOM 469 C2 A B 15 -2.905 7.359 -5.300 1.00 0.00 C ATOM 470 N3 A B 15 -4.197 7.147 -5.098 1.00 0.00 N ATOM 471 C4 A B 15 -4.493 6.982 -3.777 1.00 0.00 C ATOM 0 H5' A B 15 -10.223 6.569 -1.490 1.00 0.00 H new ATOM 0 H5'' A B 15 -10.244 4.841 -1.784 1.00 0.00 H new ATOM 0 H4' A B 15 -9.797 6.075 -3.784 1.00 0.00 H new ATOM 0 H3' A B 15 -7.514 4.258 -2.844 1.00 0.00 H new ATOM 0 H2' A B 15 -6.399 4.889 -5.001 1.00 0.00 H new ATOM 0 HO2' A B 15 -8.781 5.108 -5.926 1.00 0.00 H new ATOM 0 H1' A B 15 -6.891 7.580 -4.759 1.00 0.00 H new ATOM 0 H8 A B 15 -6.318 6.428 -1.180 1.00 0.00 H new ATOM 0 H61 A B 15 -0.310 7.603 -2.680 1.00 0.00 H new ATOM 0 H62 A B 15 -1.365 7.311 -1.293 1.00 0.00 H new ATOM 0 H2 A B 15 -2.599 7.471 -6.330 1.00 0.00 H new ATOM 483 P C B 16 -8.313 2.193 -4.126 1.00 0.00 P ATOM 484 OP1 C B 16 -9.342 1.330 -4.753 1.00 0.00 O ATOM 485 OP2 C B 16 -7.840 1.863 -2.763 1.00 0.00 O1- ATOM 486 O5' C B 16 -7.028 2.231 -5.095 1.00 0.00 O ATOM 487 C5' C B 16 -7.157 2.269 -6.514 1.00 0.00 C ATOM 488 C4' C B 16 -5.805 2.275 -7.226 1.00 0.00 C ATOM 489 O4' C B 16 -5.086 3.480 -7.009 1.00 0.00 O ATOM 490 C3' C B 16 -4.866 1.139 -6.813 1.00 0.00 C ATOM 491 O3' C B 16 -5.295 -0.121 -7.321 1.00 0.00 O ATOM 492 C2' C B 16 -3.545 1.680 -7.376 1.00 0.00 C ATOM 493 O2' C B 16 -3.433 1.516 -8.786 1.00 0.00 O ATOM 494 C1' C B 16 -3.696 3.184 -7.083 1.00 0.00 C ATOM 495 N1 C B 16 -3.011 3.555 -5.816 1.00 0.00 N ATOM 496 C2 C B 16 -1.647 3.857 -5.874 1.00 0.00 C ATOM 497 O2 C B 16 -1.034 3.906 -6.942 1.00 0.00 O ATOM 498 N3 C B 16 -0.926 4.075 -4.750 1.00 0.00 N ATOM 499 C4 C B 16 -1.549 4.009 -3.590 1.00 0.00 C ATOM 500 N4 C B 16 -0.788 4.177 -2.547 1.00 0.00 N ATOM 501 C5 C B 16 -2.938 3.742 -3.452 1.00 0.00 C ATOM 502 C6 C B 16 -3.646 3.523 -4.591 1.00 0.00 C ATOM 0 H5' C B 16 -7.719 3.158 -6.801 1.00 0.00 H new ATOM 0 H5'' C B 16 -7.735 1.406 -6.846 1.00 0.00 H new ATOM 0 H4' C B 16 -6.082 2.154 -8.273 1.00 0.00 H new ATOM 0 H3' C B 16 -4.808 0.914 -5.748 1.00 0.00 H new ATOM 0 H2' C B 16 -2.677 1.178 -6.949 1.00 0.00 H new ATOM 0 HO2' C B 16 -2.575 1.879 -9.090 1.00 0.00 H new ATOM 0 H1' C B 16 -3.229 3.764 -7.879 1.00 0.00 H new ATOM 0 H41 C B 16 -1.191 4.141 -1.611 1.00 0.00 H new ATOM 0 H42 C B 16 0.211 4.345 -2.666 1.00 0.00 H new ATOM 0 H5 C B 16 -3.411 3.714 -2.482 1.00 0.00 H new ATOM 0 H6 C B 16 -4.706 3.324 -4.538 1.00 0.00 H new ATOM 514 P G B 17 -4.784 -1.505 -6.668 1.00 0.00 P ATOM 515 OP1 G B 17 -5.631 -2.588 -7.214 1.00 0.00 O ATOM 516 OP2 G B 17 -4.715 -1.342 -5.191 1.00 0.00 O1- ATOM 517 O5' G B 17 -3.287 -1.735 -7.216 1.00 0.00 O ATOM 518 C5' G B 17 -3.019 -1.849 -8.606 1.00 0.00 C ATOM 519 C4' G B 17 -1.540 -2.072 -8.910 1.00 0.00 C ATOM 520 O4' G B 17 -0.694 -1.282 -8.082 1.00 0.00 O ATOM 521 C3' G B 17 -1.084 -3.518 -8.761 1.00 0.00 C ATOM 522 O3' G B 17 -1.448 -4.314 -9.877 1.00 0.00 O ATOM 523 C2' G B 17 0.439 -3.316 -8.646 1.00 0.00 C ATOM 524 O2' G B 17 1.090 -3.095 -9.899 1.00 0.00 O ATOM 525 C1' G B 17 0.507 -2.019 -7.830 1.00 0.00 C ATOM 526 N9 G B 17 0.662 -2.335 -6.385 1.00 0.00 N ATOM 527 C8 G B 17 -0.298 -2.483 -5.418 1.00 0.00 C ATOM 528 N7 G B 17 0.178 -2.615 -4.201 1.00 0.00 N ATOM 529 C5 G B 17 1.573 -2.587 -4.393 1.00 0.00 C ATOM 530 C6 G B 17 2.675 -2.657 -3.464 1.00 0.00 C ATOM 531 O6 G B 17 2.673 -2.702 -2.232 1.00 0.00 O ATOM 532 N1 G B 17 3.908 -2.684 -4.083 1.00 0.00 N ATOM 533 C2 G B 17 4.090 -2.587 -5.422 1.00 0.00 C ATOM 534 N2 G B 17 5.304 -2.697 -5.884 1.00 0.00 N ATOM 535 N3 G B 17 3.108 -2.480 -6.313 1.00 0.00 N ATOM 536 C4 G B 17 1.869 -2.486 -5.740 1.00 0.00 C ATOM 0 H5' G B 17 -3.356 -0.944 -9.111 1.00 0.00 H new ATOM 0 H5'' G B 17 -3.598 -2.677 -9.016 1.00 0.00 H new ATOM 0 H4' G B 17 -1.450 -1.777 -9.956 1.00 0.00 H new ATOM 0 H3' G B 17 -1.531 -4.054 -7.924 1.00 0.00 H new ATOM 0 H2' G B 17 0.931 -4.192 -8.223 1.00 0.00 H new ATOM 0 HO2' G B 17 0.495 -3.365 -10.629 1.00 0.00 H new ATOM 0 H1' G B 17 1.369 -1.418 -8.121 1.00 0.00 H new ATOM 0 H8 G B 17 -1.355 -2.490 -5.638 1.00 0.00 H new ATOM 0 H1 G B 17 4.735 -2.783 -3.495 1.00 0.00 H new ATOM 0 H21 G B 17 5.476 -2.629 -6.887 1.00 0.00 H new ATOM 0 H22 G B 17 6.082 -2.851 -5.242 1.00 0.00 H new ATOM 548 P U B 18 -1.509 -5.901 -9.770 1.00 0.00 P ATOM 549 OP1 U B 18 -1.731 -6.425 -11.141 1.00 0.00 O ATOM 550 OP2 U B 18 -2.473 -6.246 -8.698 1.00 0.00 O1- ATOM 551 O5' U B 18 -0.012 -6.295 -9.321 1.00 0.00 O ATOM 552 C5' U B 18 0.212 -7.150 -8.219 1.00 0.00 C ATOM 553 C4' U B 18 1.696 -7.163 -7.811 1.00 0.00 C ATOM 554 O4' U B 18 2.076 -6.002 -7.080 1.00 0.00 O ATOM 555 C3' U B 18 1.996 -8.343 -6.897 1.00 0.00 C ATOM 556 O3' U B 18 2.141 -9.556 -7.614 1.00 0.00 O ATOM 557 C2' U B 18 3.288 -7.859 -6.227 1.00 0.00 C ATOM 558 O2' U B 18 4.421 -7.958 -7.104 1.00 0.00 O ATOM 559 C1' U B 18 2.968 -6.370 -6.023 1.00 0.00 C ATOM 560 N1 U B 18 2.358 -6.150 -4.673 1.00 0.00 N ATOM 561 C2 U B 18 3.208 -6.071 -3.559 1.00 0.00 C ATOM 562 O2 U B 18 4.429 -6.191 -3.634 1.00 0.00 O ATOM 563 N3 U B 18 2.624 -5.875 -2.326 1.00 0.00 N ATOM 564 C4 U B 18 1.276 -5.790 -2.086 1.00 0.00 C ATOM 565 O4 U B 18 0.853 -5.679 -0.935 1.00 0.00 O ATOM 566 C5 U B 18 0.448 -5.871 -3.270 1.00 0.00 C ATOM 567 C6 U B 18 0.995 -6.029 -4.502 1.00 0.00 C ATOM 0 H5' U B 18 -0.107 -8.162 -8.471 1.00 0.00 H new ATOM 0 H5'' U B 18 -0.396 -6.825 -7.375 1.00 0.00 H new ATOM 0 H4' U B 18 2.249 -7.217 -8.749 1.00 0.00 H new ATOM 0 H3' U B 18 1.205 -8.591 -6.189 1.00 0.00 H new ATOM 0 H2' U B 18 3.543 -8.430 -5.334 1.00 0.00 H new ATOM 0 HO2' U B 18 4.222 -8.590 -7.826 1.00 0.00 H new ATOM 0 H1' U B 18 3.866 -5.753 -6.056 1.00 0.00 H new ATOM 0 H3 U B 18 3.247 -5.786 -1.524 1.00 0.00 H new ATOM 0 H5 U B 18 -0.625 -5.804 -3.171 1.00 0.00 H new ATOM 0 H6 U B 18 0.349 -6.061 -5.367 1.00 0.00 H new ATOM 578 P C B 19 1.763 -10.965 -6.933 1.00 0.00 P ATOM 579 OP1 C B 19 1.884 -12.020 -7.965 1.00 0.00 O ATOM 580 OP2 C B 19 0.480 -10.803 -6.208 1.00 0.00 O1- ATOM 581 O5' C B 19 2.931 -11.180 -5.842 1.00 0.00 O ATOM 582 C5' C B 19 4.250 -11.551 -6.233 1.00 0.00 C ATOM 583 C4' C B 19 5.171 -11.695 -5.019 1.00 0.00 C ATOM 584 O4' C B 19 5.398 -10.439 -4.363 1.00 0.00 O ATOM 585 C3' C B 19 4.637 -12.636 -3.941 1.00 0.00 C ATOM 586 O3' C B 19 4.703 -14.017 -4.267 1.00 0.00 O ATOM 587 C2' C B 19 5.571 -12.223 -2.793 1.00 0.00 C ATOM 588 O2' C B 19 6.877 -12.779 -2.927 1.00 0.00 O ATOM 589 C1' C B 19 5.677 -10.707 -2.987 1.00 0.00 C ATOM 590 N1 C B 19 4.735 -9.982 -2.086 1.00 0.00 N ATOM 591 C2 C B 19 5.218 -9.559 -0.840 1.00 0.00 C ATOM 592 O2 C B 19 6.363 -9.794 -0.453 1.00 0.00 O ATOM 593 N3 C B 19 4.413 -8.883 0.016 1.00 0.00 N ATOM 594 C4 C B 19 3.169 -8.659 -0.345 1.00 0.00 C ATOM 595 N4 C B 19 2.459 -7.983 0.511 1.00 0.00 N ATOM 596 C5 C B 19 2.619 -9.066 -1.589 1.00 0.00 C ATOM 597 C6 C B 19 3.426 -9.737 -2.439 1.00 0.00 C ATOM 0 H5' C B 19 4.655 -10.801 -6.912 1.00 0.00 H new ATOM 0 H5'' C B 19 4.218 -12.493 -6.781 1.00 0.00 H new ATOM 0 H4' C B 19 6.087 -12.103 -5.446 1.00 0.00 H new ATOM 0 H3' C B 19 3.570 -12.543 -3.741 1.00 0.00 H new ATOM 0 H2' C B 19 5.194 -12.554 -1.825 1.00 0.00 H new ATOM 0 HO2' C B 19 6.838 -13.570 -3.504 1.00 0.00 H new ATOM 0 H1' C B 19 6.676 -10.355 -2.728 1.00 0.00 H new ATOM 0 H41 C B 19 1.483 -7.767 0.306 1.00 0.00 H new ATOM 0 H42 C B 19 2.878 -7.669 1.386 1.00 0.00 H new ATOM 0 H5 C B 19 1.593 -8.847 -1.846 1.00 0.00 H new ATOM 0 H6 C B 19 3.047 -10.080 -3.391 1.00 0.00 H new ATOM 609 P G B 20 3.811 -15.096 -3.478 1.00 0.00 P ATOM 610 OP1 G B 20 4.018 -16.414 -4.113 1.00 0.00 O ATOM 611 OP2 G B 20 2.443 -14.545 -3.394 1.00 0.00 O1- ATOM 612 O5' G B 20 4.423 -15.156 -1.996 1.00 0.00 O ATOM 613 C5' G B 20 5.601 -15.909 -1.710 1.00 0.00 C ATOM 614 C4' G B 20 6.032 -15.806 -0.233 1.00 0.00 C ATOM 615 O4' G B 20 6.332 -14.467 0.149 1.00 0.00 O ATOM 616 C3' G B 20 5.002 -16.337 0.775 1.00 0.00 C ATOM 617 O3' G B 20 4.988 -17.763 0.883 1.00 0.00 O ATOM 618 C2' G B 20 5.538 -15.663 2.048 1.00 0.00 C ATOM 619 O2' G B 20 6.713 -16.311 2.545 1.00 0.00 O ATOM 620 C1' G B 20 5.966 -14.291 1.521 1.00 0.00 C ATOM 621 N9 G B 20 4.881 -13.293 1.665 1.00 0.00 N ATOM 622 C8 G B 20 3.983 -12.851 0.710 1.00 0.00 C ATOM 623 N7 G B 20 3.220 -11.877 1.113 1.00 0.00 N ATOM 624 C5 G B 20 3.607 -11.685 2.453 1.00 0.00 C ATOM 625 C6 G B 20 3.121 -10.781 3.465 1.00 0.00 C ATOM 626 O6 G B 20 2.263 -9.906 3.389 1.00 0.00 O ATOM 627 N1 G B 20 3.733 -10.948 4.691 1.00 0.00 N ATOM 628 C2 G B 20 4.724 -11.842 4.930 1.00 0.00 C ATOM 629 N2 G B 20 5.162 -11.941 6.163 1.00 0.00 N ATOM 630 N3 G B 20 5.215 -12.687 4.029 1.00 0.00 N ATOM 631 C4 G B 20 4.608 -12.564 2.796 1.00 0.00 C ATOM 0 H5' G B 20 6.414 -15.559 -2.346 1.00 0.00 H new ATOM 0 H5'' G B 20 5.428 -16.955 -1.961 1.00 0.00 H new ATOM 0 H4' G B 20 6.919 -16.439 -0.193 1.00 0.00 H new ATOM 0 H3' G B 20 3.965 -16.118 0.521 1.00 0.00 H new ATOM 0 H2' G B 20 4.804 -15.668 2.854 1.00 0.00 H new ATOM 0 HO2' G B 20 6.787 -17.204 2.147 1.00 0.00 H new ATOM 0 H1' G B 20 6.808 -13.906 2.097 1.00 0.00 H new ATOM 0 H8 G B 20 3.921 -13.276 -0.281 1.00 0.00 H new ATOM 0 H1 G B 20 3.420 -10.362 5.465 1.00 0.00 H new ATOM 0 H21 G B 20 5.907 -12.601 6.388 1.00 0.00 H new ATOM 0 H22 G B 20 4.758 -11.358 6.896 1.00 0.00 H new ATOM 643 P G B 21 3.704 -18.533 1.476 1.00 0.00 P ATOM 644 OP1 G B 21 3.980 -19.985 1.435 1.00 0.00 O ATOM 645 OP2 G B 21 2.501 -18.016 0.784 1.00 0.00 O1- ATOM 646 O5' G B 21 3.603 -18.089 3.026 1.00 0.00 O ATOM 647 C5' G B 21 4.516 -18.558 4.004 1.00 0.00 C ATOM 648 C4' G B 21 4.169 -18.081 5.426 1.00 0.00 C ATOM 649 O4' G B 21 4.064 -16.655 5.457 1.00 0.00 O ATOM 650 C3' G B 21 2.841 -18.664 5.956 1.00 0.00 C ATOM 651 O3' G B 21 2.959 -18.958 7.350 1.00 0.00 O ATOM 652 C2' G B 21 1.874 -17.516 5.663 1.00 0.00 C ATOM 653 O2' G B 21 0.692 -17.509 6.470 1.00 0.00 O ATOM 654 C1' G B 21 2.770 -16.302 5.935 1.00 0.00 C ATOM 655 N9 G B 21 2.220 -15.093 5.283 1.00 0.00 N ATOM 656 C8 G B 21 1.951 -14.884 3.946 1.00 0.00 C ATOM 657 N7 G B 21 1.266 -13.791 3.700 1.00 0.00 N ATOM 658 C5 G B 21 1.081 -13.222 4.968 1.00 0.00 C ATOM 659 C6 G B 21 0.375 -12.041 5.398 1.00 0.00 C ATOM 660 O6 G B 21 -0.265 -11.233 4.723 1.00 0.00 O ATOM 661 N1 G B 21 0.412 -11.834 6.765 1.00 0.00 N ATOM 662 C2 G B 21 1.066 -12.645 7.628 1.00 0.00 C ATOM 663 N2 G B 21 0.996 -12.353 8.895 1.00 0.00 N ATOM 664 N3 G B 21 1.727 -13.758 7.282 1.00 0.00 N ATOM 665 C4 G B 21 1.692 -13.994 5.937 1.00 0.00 C ATOM 0 H5' G B 21 5.520 -18.220 3.748 1.00 0.00 H new ATOM 0 H5'' G B 21 4.532 -19.648 3.986 1.00 0.00 H new ATOM 0 H4' G B 21 4.978 -18.435 6.065 1.00 0.00 H new ATOM 0 H3' G B 21 2.524 -19.605 5.507 1.00 0.00 H new ATOM 0 H2' G B 21 1.453 -17.566 4.659 1.00 0.00 H new ATOM 0 HO2' G B 21 0.131 -16.745 6.221 1.00 0.00 H new ATOM 0 HO3' G B 21 2.120 -18.733 7.804 1.00 0.00 H new ATOM 0 H1' G B 21 2.823 -16.055 6.995 1.00 0.00 H new ATOM 0 H8 G B 21 2.276 -15.561 3.169 1.00 0.00 H new ATOM 0 H1 G B 21 -0.081 -11.025 7.143 1.00 0.00 H new ATOM 0 H21 G B 21 1.474 -12.938 9.580 1.00 0.00 H new ATOM 0 H22 G B 21 0.463 -11.539 9.202 1.00 0.00 H new TER 678 G B 21 HETATM 679 N1 QSV A 101 6.389 0.849 -0.361 1.00 0.00 N HETATM 680 C4 QSV A 101 7.639 0.966 -3.842 1.00 0.00 C HETATM 681 C5 QSV A 101 7.166 0.998 -5.150 1.00 0.00 C HETATM 682 C6 QSV A 101 7.248 0.911 -1.333 1.00 0.00 C HETATM 683 C7 QSV A 101 8.747 0.889 -1.098 1.00 0.00 C HETATM 684 C8 QSV A 101 5.863 0.548 1.998 1.00 0.00 C HETATM 685 C1 QSV A 101 4.893 0.931 -4.318 1.00 0.00 C HETATM 686 C2 QSV A 101 5.362 0.912 -2.997 1.00 0.00 C HETATM 687 C3 QSV A 101 6.745 0.926 -2.748 1.00 0.00 C HETATM 688 C9 QSV A 101 3.423 0.004 2.361 1.00 0.00 C HETATM 689 C4' QSV A 101 0.968 0.883 -5.987 1.00 0.00 C HETATM 690 C3' QSV A 101 1.049 0.795 -4.583 1.00 0.00 C HETATM 691 C2' QSV A 101 2.314 0.865 -3.973 1.00 0.00 C HETATM 692 C1' QSV A 101 3.474 0.916 -4.770 1.00 0.00 C HETATM 693 C5' QSV A 101 2.115 0.931 -6.780 1.00 0.00 C HETATM 694 C0' QSV A 101 3.353 0.923 -6.158 1.00 0.00 C HETATM 695 C0 QSV A 101 5.790 0.966 -5.374 1.00 0.00 C HETATM 696 S0 QSV A 101 4.948 0.977 -6.942 1.00 0.00 S HETATM 697 N2 QSV A 101 6.708 0.797 0.983 1.00 0.00 N1+ HETATM 698 N3 QSV A 101 6.210 0.607 3.215 1.00 0.00 N HETATM 699 N4 QSV A 101 4.664 0.128 1.590 1.00 0.00 N HETATM 700 C6' QSV A 101 -0.181 0.611 -3.735 1.00 0.00 C HETATM 701 C7' QSV A 101 -1.531 0.391 -4.395 1.00 0.00 C HETATM 702 N1' QSV A 101 -0.068 0.625 -2.452 1.00 0.00 N HETATM 703 N2' QSV A 101 -1.119 0.499 -1.573 1.00 0.00 N1+ HETATM 704 C8' QSV A 101 -1.032 0.523 -0.222 1.00 0.00 C HETATM 705 N3' QSV A 101 0.034 0.449 0.467 1.00 0.00 N HETATM 706 N4' QSV A 101 -2.228 0.718 0.336 1.00 0.00 N HETATM 707 C9' QSV A 101 -2.652 0.382 1.700 1.00 0.00 C