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 -14:sc= 0.00305 USER MOD Single : A 3 G O2' : rot -18:sc= 0.00859 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -15:sc= 0.0494 USER MOD Single : A 6 C O2' : rot -26:sc= 0.0522 USER MOD Single : A 7 A O2' : rot 140:sc= 0.174 USER MOD Single : A 8 U O2' : rot 18:sc= 0.0691 USER MOD Single : A 9 A O2' : rot 98:sc= 0.396 USER MOD Single : A 10 G O2' : rot 19:sc= 0.0548 USER MOD Single : A 11 A O2' : rot -21:sc= 0.059 USER MOD Single : A 12 U O2' : rot -18:sc= 0.0244 USER MOD Single : A 13 C O2' : rot -18:sc= 0.0223 USER MOD Single : A 14 U O2' : rot -123:sc= 0.0118 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -20:sc= 0.0141 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0165 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.998 -2.230 8.976 1.00 0.00 O ATOM 2 C5' G A 1 -11.771 -3.550 8.523 1.00 0.00 C ATOM 3 C4' G A 1 -10.775 -4.291 9.428 1.00 0.00 C ATOM 4 O4' G A 1 -10.650 -5.647 9.013 1.00 0.00 O ATOM 5 C3' G A 1 -9.351 -3.714 9.399 1.00 0.00 C ATOM 6 O3' G A 1 -9.195 -2.598 10.271 1.00 0.00 O ATOM 7 C2' G A 1 -8.527 -4.945 9.787 1.00 0.00 C ATOM 8 O2' G A 1 -8.534 -5.223 11.178 1.00 0.00 O ATOM 9 C1' G A 1 -9.282 -6.045 9.035 1.00 0.00 C ATOM 10 N9 G A 1 -8.760 -6.241 7.651 1.00 0.00 N ATOM 11 C8 G A 1 -9.302 -5.838 6.452 1.00 0.00 C ATOM 12 N7 G A 1 -8.612 -6.184 5.402 1.00 0.00 N ATOM 13 C5 G A 1 -7.526 -6.875 5.925 1.00 0.00 C ATOM 14 C6 G A 1 -6.416 -7.500 5.251 1.00 0.00 C ATOM 15 O6 G A 1 -6.199 -7.547 4.042 1.00 0.00 O ATOM 16 N1 G A 1 -5.507 -8.107 6.134 1.00 0.00 N ATOM 17 C2 G A 1 -5.660 -8.106 7.519 1.00 0.00 C ATOM 18 N2 G A 1 -4.704 -8.725 8.226 1.00 0.00 N ATOM 19 N3 G A 1 -6.705 -7.519 8.150 1.00 0.00 N ATOM 20 C4 G A 1 -7.608 -6.919 7.306 1.00 0.00 C ATOM 0 H5' G A 1 -11.389 -3.525 7.503 1.00 0.00 H new ATOM 0 H5'' G A 1 -12.715 -4.094 8.496 1.00 0.00 H new ATOM 0 H4' G A 1 -11.184 -4.185 10.433 1.00 0.00 H new ATOM 0 H3' G A 1 -9.049 -3.286 8.443 1.00 0.00 H new ATOM 0 H2' G A 1 -7.470 -4.832 9.546 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.992 -6.020 11.355 1.00 0.00 H new ATOM 0 HO5' G A 1 -12.634 -1.784 8.379 1.00 0.00 H new ATOM 0 H1' G A 1 -9.152 -7.004 9.536 1.00 0.00 H new ATOM 0 H8 G A 1 -10.224 -5.280 6.386 1.00 0.00 H new ATOM 0 H1 G A 1 -4.690 -8.574 5.740 1.00 0.00 H new ATOM 0 H21 G A 1 -4.762 -8.757 9.244 1.00 0.00 H new ATOM 0 H22 G A 1 -3.918 -9.164 7.746 1.00 0.00 H new ATOM 33 P A A 2 -8.050 -1.470 10.045 1.00 0.00 P ATOM 34 OP1 A A 2 -8.180 -0.467 11.127 1.00 0.00 O ATOM 35 OP2 A A 2 -8.103 -1.024 8.635 1.00 0.00 O ATOM 36 O5' A A 2 -6.662 -2.279 10.253 1.00 0.00 O ATOM 37 C5' A A 2 -6.226 -2.730 11.528 1.00 0.00 C ATOM 38 C4' A A 2 -4.966 -3.603 11.415 1.00 0.00 C ATOM 39 O4' A A 2 -5.179 -4.771 10.632 1.00 0.00 O ATOM 40 C3' A A 2 -3.778 -2.891 10.762 1.00 0.00 C ATOM 41 O3' A A 2 -3.160 -1.957 11.639 1.00 0.00 O ATOM 42 C2' A A 2 -2.916 -4.094 10.368 1.00 0.00 C ATOM 43 O2' A A 2 -2.180 -4.645 11.449 1.00 0.00 O ATOM 44 C1' A A 2 -3.996 -5.080 9.896 1.00 0.00 C ATOM 45 N9 A A 2 -4.235 -4.977 8.426 1.00 0.00 N ATOM 46 C8 A A 2 -5.285 -4.396 7.750 1.00 0.00 C ATOM 47 N7 A A 2 -5.206 -4.480 6.451 1.00 0.00 N ATOM 48 C5 A A 2 -4.021 -5.171 6.231 1.00 0.00 C ATOM 49 C6 A A 2 -3.345 -5.604 5.051 1.00 0.00 C ATOM 50 N6 A A 2 -3.811 -5.374 3.815 1.00 0.00 N ATOM 51 N1 A A 2 -2.171 -6.278 5.181 1.00 0.00 N ATOM 52 C2 A A 2 -1.692 -6.511 6.413 1.00 0.00 C ATOM 53 N3 A A 2 -2.232 -6.162 7.591 1.00 0.00 N ATOM 54 C4 A A 2 -3.418 -5.482 7.438 1.00 0.00 C ATOM 0 H5' A A 2 -7.023 -3.300 12.006 1.00 0.00 H new ATOM 0 H5'' A A 2 -6.020 -1.872 12.168 1.00 0.00 H new ATOM 0 H4' A A 2 -4.743 -3.846 12.454 1.00 0.00 H new ATOM 0 H3' A A 2 -4.017 -2.250 9.914 1.00 0.00 H new ATOM 0 H2' A A 2 -2.148 -3.843 9.636 1.00 0.00 H new ATOM 0 HO2' A A 2 -2.183 -4.016 12.201 1.00 0.00 H new ATOM 0 H1' A A 2 -3.679 -6.107 10.075 1.00 0.00 H new ATOM 0 H8 A A 2 -6.107 -3.910 8.255 1.00 0.00 H new ATOM 0 H61 A A 2 -3.289 -5.705 3.003 1.00 0.00 H new ATOM 0 H62 A A 2 -4.687 -4.868 3.686 1.00 0.00 H new ATOM 0 H2 A A 2 -0.755 -7.046 6.463 1.00 0.00 H new ATOM 66 P G A 3 -2.337 -0.667 11.098 1.00 0.00 P ATOM 67 OP1 G A 3 -1.912 0.129 12.272 1.00 0.00 O ATOM 68 OP2 G A 3 -3.127 -0.016 10.027 1.00 0.00 O ATOM 69 O5' G A 3 -1.027 -1.325 10.414 1.00 0.00 O ATOM 70 C5' G A 3 0.002 -1.931 11.180 1.00 0.00 C ATOM 71 C4' G A 3 1.049 -2.605 10.282 1.00 0.00 C ATOM 72 O4' G A 3 0.489 -3.648 9.497 1.00 0.00 O ATOM 73 C3' G A 3 1.710 -1.660 9.273 1.00 0.00 C ATOM 74 O3' G A 3 2.650 -0.778 9.876 1.00 0.00 O ATOM 75 C2' G A 3 2.304 -2.682 8.299 1.00 0.00 C ATOM 76 O2' G A 3 3.508 -3.275 8.758 1.00 0.00 O ATOM 77 C1' G A 3 1.175 -3.724 8.248 1.00 0.00 C ATOM 78 N9 G A 3 0.247 -3.474 7.107 1.00 0.00 N ATOM 79 C8 G A 3 -1.038 -2.979 7.115 1.00 0.00 C ATOM 80 N7 G A 3 -1.588 -2.883 5.938 1.00 0.00 N ATOM 81 C5 G A 3 -0.612 -3.353 5.069 1.00 0.00 C ATOM 82 C6 G A 3 -0.636 -3.493 3.634 1.00 0.00 C ATOM 83 O6 G A 3 -1.555 -3.220 2.865 1.00 0.00 O ATOM 84 N1 G A 3 0.563 -4.001 3.111 1.00 0.00 N ATOM 85 C2 G A 3 1.666 -4.339 3.895 1.00 0.00 C ATOM 86 N2 G A 3 2.741 -4.811 3.249 1.00 0.00 N ATOM 87 N3 G A 3 1.682 -4.216 5.243 1.00 0.00 N ATOM 88 C4 G A 3 0.519 -3.719 5.777 1.00 0.00 C ATOM 0 H5' G A 3 -0.432 -2.670 11.853 1.00 0.00 H new ATOM 0 H5'' G A 3 0.485 -1.178 11.802 1.00 0.00 H new ATOM 0 H4' G A 3 1.785 -2.972 10.997 1.00 0.00 H new ATOM 0 H3' G A 3 1.044 -0.944 8.792 1.00 0.00 H new ATOM 0 H2' G A 3 2.586 -2.240 7.343 1.00 0.00 H new ATOM 0 HO2' G A 3 3.895 -2.722 9.468 1.00 0.00 H new ATOM 0 H1' G A 3 1.584 -4.722 8.089 1.00 0.00 H new ATOM 0 H8 G A 3 -1.548 -2.694 8.023 1.00 0.00 H new ATOM 0 H1 G A 3 0.632 -4.130 2.102 1.00 0.00 H new ATOM 0 H21 G A 3 3.576 -5.074 3.773 1.00 0.00 H new ATOM 0 H22 G A 3 2.724 -4.907 2.234 1.00 0.00 H new ATOM 100 P G A 4 3.002 0.680 9.251 1.00 0.00 P ATOM 101 OP1 G A 4 3.942 1.356 10.174 1.00 0.00 O ATOM 102 OP2 G A 4 1.736 1.354 8.884 1.00 0.00 O ATOM 103 O5' G A 4 3.787 0.325 7.880 1.00 0.00 O ATOM 104 C5' G A 4 5.094 -0.230 7.877 1.00 0.00 C ATOM 105 C4' G A 4 5.505 -0.695 6.474 1.00 0.00 C ATOM 106 O4' G A 4 4.615 -1.687 5.975 1.00 0.00 O ATOM 107 C3' G A 4 5.521 0.408 5.406 1.00 0.00 C ATOM 108 O3' G A 4 6.656 1.264 5.495 1.00 0.00 O ATOM 109 C2' G A 4 5.464 -0.450 4.139 1.00 0.00 C ATOM 110 O2' G A 4 6.706 -1.040 3.788 1.00 0.00 O ATOM 111 C1' G A 4 4.467 -1.535 4.567 1.00 0.00 C ATOM 112 N9 G A 4 3.068 -1.167 4.195 1.00 0.00 N ATOM 113 C8 G A 4 2.014 -0.789 4.994 1.00 0.00 C ATOM 114 N7 G A 4 0.909 -0.540 4.349 1.00 0.00 N ATOM 115 C5 G A 4 1.235 -0.770 3.017 1.00 0.00 C ATOM 116 C6 G A 4 0.424 -0.666 1.831 1.00 0.00 C ATOM 117 O6 G A 4 -0.761 -0.347 1.751 1.00 0.00 O ATOM 118 N1 G A 4 1.129 -0.979 0.659 1.00 0.00 N ATOM 119 C2 G A 4 2.471 -1.353 0.637 1.00 0.00 C ATOM 120 N2 G A 4 3.003 -1.609 -0.564 1.00 0.00 N ATOM 121 N3 G A 4 3.226 -1.460 1.755 1.00 0.00 N ATOM 122 C4 G A 4 2.560 -1.156 2.915 1.00 0.00 C ATOM 0 H5' G A 4 5.134 -1.073 8.567 1.00 0.00 H new ATOM 0 H5'' G A 4 5.806 0.512 8.239 1.00 0.00 H new ATOM 0 H4' G A 4 6.518 -1.067 6.625 1.00 0.00 H new ATOM 0 H3' G A 4 4.715 1.138 5.481 1.00 0.00 H new ATOM 0 H2' G A 4 5.194 0.129 3.256 1.00 0.00 H new ATOM 0 HO2' G A 4 6.596 -1.573 2.973 1.00 0.00 H new ATOM 0 H1' G A 4 4.670 -2.476 4.055 1.00 0.00 H new ATOM 0 H8 G A 4 2.095 -0.705 6.068 1.00 0.00 H new ATOM 0 H1 G A 4 0.630 -0.930 -0.229 1.00 0.00 H new ATOM 0 H21 G A 4 3.981 -1.887 -0.640 1.00 0.00 H new ATOM 0 H22 G A 4 2.430 -1.526 -1.404 1.00 0.00 H new ATOM 134 P A A 5 6.652 2.783 4.913 1.00 0.00 P ATOM 135 OP1 A A 5 7.964 3.394 5.225 1.00 0.00 O ATOM 136 OP2 A A 5 5.415 3.454 5.373 1.00 0.00 O ATOM 137 O5' A A 5 6.538 2.601 3.307 1.00 0.00 O ATOM 138 C5' A A 5 7.585 2.048 2.520 1.00 0.00 C ATOM 139 C4' A A 5 7.108 1.775 1.083 1.00 0.00 C ATOM 140 O4' A A 5 5.959 0.941 1.076 1.00 0.00 O ATOM 141 C3' A A 5 6.731 3.042 0.305 1.00 0.00 C ATOM 142 O3' A A 5 7.880 3.662 -0.268 1.00 0.00 O ATOM 143 C2' A A 5 5.743 2.479 -0.720 1.00 0.00 C ATOM 144 O2' A A 5 6.366 1.945 -1.877 1.00 0.00 O ATOM 145 C1' A A 5 5.053 1.352 0.059 1.00 0.00 C ATOM 146 N9 A A 5 3.742 1.773 0.635 1.00 0.00 N ATOM 147 C8 A A 5 3.382 1.951 1.952 1.00 0.00 C ATOM 148 N7 A A 5 2.134 2.278 2.136 1.00 0.00 N ATOM 149 C5 A A 5 1.608 2.324 0.850 1.00 0.00 C ATOM 150 C6 A A 5 0.307 2.612 0.337 1.00 0.00 C ATOM 151 N6 A A 5 -0.733 2.931 1.118 1.00 0.00 N ATOM 152 N1 A A 5 0.112 2.576 -1.009 1.00 0.00 N ATOM 153 C2 A A 5 1.150 2.266 -1.801 1.00 0.00 C ATOM 154 N3 A A 5 2.408 1.968 -1.440 1.00 0.00 N ATOM 155 C4 A A 5 2.585 2.015 -0.078 1.00 0.00 C ATOM 0 H5' A A 5 7.935 1.121 2.973 1.00 0.00 H new ATOM 0 H5'' A A 5 8.432 2.733 2.502 1.00 0.00 H new ATOM 0 H4' A A 5 7.961 1.299 0.600 1.00 0.00 H new ATOM 0 H3' A A 5 6.301 3.846 0.902 1.00 0.00 H new ATOM 0 H2' A A 5 5.079 3.256 -1.098 1.00 0.00 H new ATOM 0 HO2' A A 5 7.299 2.243 -1.913 1.00 0.00 H new ATOM 0 H1' A A 5 4.817 0.527 -0.613 1.00 0.00 H new ATOM 0 H8 A A 5 4.079 1.829 2.768 1.00 0.00 H new ATOM 0 H61 A A 5 -1.643 3.128 0.701 1.00 0.00 H new ATOM 0 H62 A A 5 -0.615 2.977 2.130 1.00 0.00 H new ATOM 0 H2 A A 5 0.948 2.255 -2.862 1.00 0.00 H new ATOM 167 P C A 6 8.015 5.267 -0.457 1.00 0.00 P ATOM 168 OP1 C A 6 9.230 5.528 -1.263 1.00 0.00 O ATOM 169 OP2 C A 6 7.886 5.893 0.877 1.00 0.00 O ATOM 170 O5' C A 6 6.715 5.677 -1.334 1.00 0.00 O ATOM 171 C5' C A 6 6.608 5.397 -2.724 1.00 0.00 C ATOM 172 C4' C A 6 5.193 5.688 -3.249 1.00 0.00 C ATOM 173 O4' C A 6 4.236 4.890 -2.576 1.00 0.00 O ATOM 174 C3' C A 6 4.728 7.131 -3.034 1.00 0.00 C ATOM 175 O3' C A 6 5.275 8.024 -4.000 1.00 0.00 O ATOM 176 C2' C A 6 3.204 6.978 -3.087 1.00 0.00 C ATOM 177 O2' C A 6 2.675 7.065 -4.399 1.00 0.00 O ATOM 178 C1' C A 6 2.983 5.559 -2.526 1.00 0.00 C ATOM 179 N1 C A 6 2.395 5.602 -1.144 1.00 0.00 N ATOM 180 C2 C A 6 1.000 5.801 -1.013 1.00 0.00 C ATOM 181 O2 C A 6 0.270 5.926 -1.997 1.00 0.00 O ATOM 182 N3 C A 6 0.452 5.853 0.245 1.00 0.00 N ATOM 183 C4 C A 6 1.215 5.722 1.352 1.00 0.00 C ATOM 184 N4 C A 6 0.623 5.775 2.553 1.00 0.00 N ATOM 185 C5 C A 6 2.642 5.516 1.246 1.00 0.00 C ATOM 186 C6 C A 6 3.179 5.463 -0.005 1.00 0.00 C ATOM 0 H5' C A 6 6.857 4.352 -2.906 1.00 0.00 H new ATOM 0 H5'' C A 6 7.332 5.998 -3.274 1.00 0.00 H new ATOM 0 H4' C A 6 5.259 5.477 -4.316 1.00 0.00 H new ATOM 0 H3' C A 6 5.063 7.585 -2.102 1.00 0.00 H new ATOM 0 H2' C A 6 2.703 7.773 -2.535 1.00 0.00 H new ATOM 0 HO2' C A 6 3.277 7.598 -4.960 1.00 0.00 H new ATOM 0 H1' C A 6 2.256 5.010 -3.124 1.00 0.00 H new ATOM 0 H41 C A 6 1.181 5.678 3.401 1.00 0.00 H new ATOM 0 H42 C A 6 -0.386 5.912 2.619 1.00 0.00 H new ATOM 0 H5 C A 6 3.259 5.408 2.126 1.00 0.00 H new ATOM 0 H6 C A 6 4.242 5.309 -0.114 1.00 0.00 H new ATOM 198 P A A 7 6.162 9.322 -3.588 1.00 0.00 P ATOM 199 OP1 A A 7 6.289 10.185 -4.785 1.00 0.00 O ATOM 200 OP2 A A 7 7.383 8.847 -2.899 1.00 0.00 O ATOM 201 O5' A A 7 5.249 10.097 -2.497 1.00 0.00 O ATOM 202 C5' A A 7 3.924 10.522 -2.780 1.00 0.00 C ATOM 203 C4' A A 7 3.134 10.790 -1.491 1.00 0.00 C ATOM 204 O4' A A 7 3.245 9.676 -0.618 1.00 0.00 O ATOM 205 C3' A A 7 3.613 12.030 -0.711 1.00 0.00 C ATOM 206 O3' A A 7 2.480 12.804 -0.329 1.00 0.00 O ATOM 207 C2' A A 7 4.324 11.406 0.491 1.00 0.00 C ATOM 208 O2' A A 7 4.378 12.238 1.636 1.00 0.00 O ATOM 209 C1' A A 7 3.498 10.141 0.696 1.00 0.00 C ATOM 210 N9 A A 7 4.213 9.118 1.503 1.00 0.00 N ATOM 211 C8 A A 7 4.964 8.054 1.065 1.00 0.00 C ATOM 212 N7 A A 7 5.469 7.319 2.013 1.00 0.00 N ATOM 213 C5 A A 7 5.034 7.932 3.183 1.00 0.00 C ATOM 214 C6 A A 7 5.228 7.648 4.567 1.00 0.00 C ATOM 215 N6 A A 7 5.953 6.610 5.010 1.00 0.00 N ATOM 216 N1 A A 7 4.653 8.466 5.489 1.00 0.00 N ATOM 217 C2 A A 7 3.928 9.510 5.060 1.00 0.00 C ATOM 218 N3 A A 7 3.676 9.882 3.796 1.00 0.00 N ATOM 219 C4 A A 7 4.263 9.040 2.880 1.00 0.00 C ATOM 0 H5' A A 7 3.414 9.760 -3.369 1.00 0.00 H new ATOM 0 H5'' A A 7 3.952 11.428 -3.386 1.00 0.00 H new ATOM 0 H4' A A 7 2.107 10.966 -1.811 1.00 0.00 H new ATOM 0 H3' A A 7 4.262 12.707 -1.266 1.00 0.00 H new ATOM 0 H2' A A 7 5.385 11.225 0.319 1.00 0.00 H new ATOM 0 HO2' A A 7 4.217 11.700 2.439 1.00 0.00 H new ATOM 0 H1' A A 7 2.586 10.343 1.257 1.00 0.00 H new ATOM 0 H8 A A 7 5.123 7.844 0.017 1.00 0.00 H new ATOM 0 H61 A A 7 6.059 6.453 6.012 1.00 0.00 H new ATOM 0 H62 A A 7 6.398 5.978 4.345 1.00 0.00 H new ATOM 0 H2 A A 7 3.492 10.129 5.830 1.00 0.00 H new ATOM 231 P U A 8 1.872 13.993 -1.247 1.00 0.00 P ATOM 232 OP1 U A 8 2.275 13.796 -2.660 1.00 0.00 O ATOM 233 OP2 U A 8 2.177 15.274 -0.573 1.00 0.00 O ATOM 234 O5' U A 8 0.281 13.740 -1.117 1.00 0.00 O ATOM 235 C5' U A 8 -0.411 12.731 -1.845 1.00 0.00 C ATOM 236 C4' U A 8 -1.913 12.720 -1.508 1.00 0.00 C ATOM 237 O4' U A 8 -2.073 12.162 -0.222 1.00 0.00 O ATOM 238 C3' U A 8 -2.569 14.125 -1.500 1.00 0.00 C ATOM 239 O3' U A 8 -3.899 14.164 -2.025 1.00 0.00 O ATOM 240 C2' U A 8 -2.559 14.432 0.009 1.00 0.00 C ATOM 241 O2' U A 8 -3.517 15.383 0.433 1.00 0.00 O ATOM 242 C1' U A 8 -2.802 13.044 0.602 1.00 0.00 C ATOM 243 N1 U A 8 -2.363 12.890 2.024 1.00 0.00 N ATOM 244 C2 U A 8 -3.344 12.818 3.037 1.00 0.00 C ATOM 245 O2 U A 8 -4.555 12.902 2.822 1.00 0.00 O ATOM 246 N3 U A 8 -2.880 12.637 4.346 1.00 0.00 N ATOM 247 C4 U A 8 -1.537 12.516 4.722 1.00 0.00 C ATOM 248 O4 U A 8 -1.235 12.362 5.903 1.00 0.00 O ATOM 249 C5 U A 8 -0.590 12.591 3.614 1.00 0.00 C ATOM 250 C6 U A 8 -1.014 12.770 2.334 1.00 0.00 C ATOM 0 H5' U A 8 0.021 11.756 -1.618 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.278 12.897 -2.914 1.00 0.00 H new ATOM 0 H4' U A 8 -2.405 12.140 -2.289 1.00 0.00 H new ATOM 0 H3' U A 8 -2.045 14.837 -2.137 1.00 0.00 H new ATOM 0 H2' U A 8 -1.634 14.910 0.330 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.213 15.473 -0.251 1.00 0.00 H new ATOM 0 H1' U A 8 -3.874 12.846 0.626 1.00 0.00 H new ATOM 0 H3 U A 8 -3.579 12.589 5.087 1.00 0.00 H new ATOM 0 H5 U A 8 0.468 12.503 3.814 1.00 0.00 H new ATOM 0 H6 U A 8 -0.284 12.820 1.539 1.00 0.00 H new ATOM 261 P A A 9 -4.341 13.611 -3.492 1.00 0.00 P ATOM 262 OP1 A A 9 -3.150 13.501 -4.366 1.00 0.00 O ATOM 263 OP2 A A 9 -5.514 14.391 -3.947 1.00 0.00 O ATOM 264 O5' A A 9 -4.832 12.115 -3.113 1.00 0.00 O ATOM 265 C5' A A 9 -5.872 11.890 -2.175 1.00 0.00 C ATOM 266 C4' A A 9 -5.738 10.513 -1.523 1.00 0.00 C ATOM 267 O4' A A 9 -4.510 10.470 -0.832 1.00 0.00 O ATOM 268 C3' A A 9 -6.805 10.225 -0.445 1.00 0.00 C ATOM 269 O3' A A 9 -7.841 9.360 -0.900 1.00 0.00 O ATOM 270 C2' A A 9 -5.988 9.617 0.713 1.00 0.00 C ATOM 271 O2' A A 9 -6.490 8.417 1.273 1.00 0.00 O ATOM 272 C1' A A 9 -4.611 9.414 0.088 1.00 0.00 C ATOM 273 N9 A A 9 -3.456 9.416 1.009 1.00 0.00 N ATOM 274 C8 A A 9 -3.360 9.512 2.375 1.00 0.00 C ATOM 275 N7 A A 9 -2.144 9.428 2.843 1.00 0.00 N ATOM 276 C5 A A 9 -1.368 9.259 1.703 1.00 0.00 C ATOM 277 C6 A A 9 0.027 9.109 1.465 1.00 0.00 C ATOM 278 N6 A A 9 0.921 9.096 2.460 1.00 0.00 N ATOM 279 N1 A A 9 0.459 8.967 0.177 1.00 0.00 N ATOM 280 C2 A A 9 -0.456 8.973 -0.808 1.00 0.00 C ATOM 281 N3 A A 9 -1.772 9.104 -0.708 1.00 0.00 N ATOM 282 C4 A A 9 -2.173 9.245 0.587 1.00 0.00 C ATOM 0 H5' A A 9 -6.838 11.967 -2.673 1.00 0.00 H new ATOM 0 H5'' A A 9 -5.847 12.663 -1.407 1.00 0.00 H new ATOM 0 H4' A A 9 -5.836 9.788 -2.331 1.00 0.00 H new ATOM 0 H3' A A 9 -7.349 11.123 -0.151 1.00 0.00 H new ATOM 0 H2' A A 9 -6.009 10.280 1.578 1.00 0.00 H new ATOM 0 HO2' A A 9 -6.023 7.651 0.878 1.00 0.00 H new ATOM 0 H1' A A 9 -4.556 8.413 -0.339 1.00 0.00 H new ATOM 0 H8 A A 9 -4.222 9.646 3.012 1.00 0.00 H new ATOM 0 H61 A A 9 1.914 8.986 2.252 1.00 0.00 H new ATOM 0 H62 A A 9 0.610 9.196 3.426 1.00 0.00 H new ATOM 0 H2 A A 9 -0.070 8.856 -1.810 1.00 0.00 H new ATOM 294 P G A 10 -8.866 9.724 -2.104 1.00 0.00 P ATOM 295 OP1 G A 10 -8.284 9.215 -3.366 1.00 0.00 O ATOM 296 OP2 G A 10 -9.243 11.152 -1.998 1.00 0.00 O ATOM 297 O5' G A 10 -10.197 8.851 -1.777 1.00 0.00 O ATOM 298 C5' G A 10 -10.199 7.593 -1.108 1.00 0.00 C ATOM 299 C4' G A 10 -9.407 6.494 -1.845 1.00 0.00 C ATOM 300 O4' G A 10 -8.040 6.534 -1.448 1.00 0.00 O ATOM 301 C3' G A 10 -9.937 5.077 -1.525 1.00 0.00 C ATOM 302 O3' G A 10 -10.007 4.260 -2.692 1.00 0.00 O ATOM 303 C2' G A 10 -8.901 4.575 -0.521 1.00 0.00 C ATOM 304 O2' G A 10 -8.787 3.166 -0.438 1.00 0.00 O ATOM 305 C1' G A 10 -7.627 5.247 -1.032 1.00 0.00 C ATOM 306 N9 G A 10 -6.529 5.330 -0.027 1.00 0.00 N ATOM 307 C8 G A 10 -6.571 5.134 1.335 1.00 0.00 C ATOM 308 N7 G A 10 -5.423 5.261 1.940 1.00 0.00 N ATOM 309 C5 G A 10 -4.535 5.564 0.916 1.00 0.00 C ATOM 310 C6 G A 10 -3.117 5.814 0.964 1.00 0.00 C ATOM 311 O6 G A 10 -2.384 5.818 1.952 1.00 0.00 O ATOM 312 N1 G A 10 -2.562 6.078 -0.298 1.00 0.00 N ATOM 313 C2 G A 10 -3.310 6.114 -1.475 1.00 0.00 C ATOM 314 N2 G A 10 -2.648 6.384 -2.606 1.00 0.00 N ATOM 315 N3 G A 10 -4.643 5.881 -1.515 1.00 0.00 N ATOM 316 C4 G A 10 -5.205 5.611 -0.294 1.00 0.00 C ATOM 0 H5' G A 10 -11.230 7.262 -0.981 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.780 7.722 -0.110 1.00 0.00 H new ATOM 0 H4' G A 10 -9.522 6.688 -2.911 1.00 0.00 H new ATOM 0 H3' G A 10 -10.956 5.061 -1.139 1.00 0.00 H new ATOM 0 H2' G A 10 -9.161 4.825 0.508 1.00 0.00 H new ATOM 0 HO2' G A 10 -9.167 2.759 -1.244 1.00 0.00 H new ATOM 0 H1' G A 10 -7.189 4.655 -1.836 1.00 0.00 H new ATOM 0 H8 G A 10 -7.483 4.894 1.861 1.00 0.00 H new ATOM 0 H1 G A 10 -1.559 6.253 -0.358 1.00 0.00 H new ATOM 0 H21 G A 10 -3.149 6.422 -3.494 1.00 0.00 H new ATOM 0 H22 G A 10 -1.642 6.552 -2.581 1.00 0.00 H new ATOM 328 P A A 11 -11.081 4.506 -3.888 1.00 0.00 P ATOM 329 OP1 A A 11 -12.145 5.426 -3.423 1.00 0.00 O ATOM 330 OP2 A A 11 -11.445 3.189 -4.453 1.00 0.00 O ATOM 331 O5' A A 11 -10.158 5.286 -4.959 1.00 0.00 O ATOM 332 C5' A A 11 -10.686 5.839 -6.152 1.00 0.00 C ATOM 333 C4' A A 11 -9.574 6.242 -7.133 1.00 0.00 C ATOM 334 O4' A A 11 -8.886 7.376 -6.641 1.00 0.00 O ATOM 335 C3' A A 11 -8.470 5.195 -7.342 1.00 0.00 C ATOM 336 O3' A A 11 -8.815 4.111 -8.203 1.00 0.00 O ATOM 337 C2' A A 11 -7.323 6.056 -7.877 1.00 0.00 C ATOM 338 O2' A A 11 -7.339 6.214 -9.286 1.00 0.00 O ATOM 339 C1' A A 11 -7.580 7.412 -7.195 1.00 0.00 C ATOM 340 N9 A A 11 -6.605 7.648 -6.102 1.00 0.00 N ATOM 341 C8 A A 11 -6.479 6.966 -4.918 1.00 0.00 C ATOM 342 N7 A A 11 -5.524 7.404 -4.144 1.00 0.00 N ATOM 343 C5 A A 11 -4.963 8.457 -4.863 1.00 0.00 C ATOM 344 C6 A A 11 -3.888 9.366 -4.614 1.00 0.00 C ATOM 345 N6 A A 11 -3.148 9.351 -3.497 1.00 0.00 N ATOM 346 N1 A A 11 -3.589 10.304 -5.551 1.00 0.00 N ATOM 347 C2 A A 11 -4.315 10.341 -6.676 1.00 0.00 C ATOM 348 N3 A A 11 -5.339 9.552 -7.030 1.00 0.00 N ATOM 349 C4 A A 11 -5.624 8.612 -6.068 1.00 0.00 C ATOM 0 H5' A A 11 -11.293 6.712 -5.911 1.00 0.00 H new ATOM 0 H5'' A A 11 -11.346 5.114 -6.628 1.00 0.00 H new ATOM 0 H4' A A 11 -10.106 6.399 -8.072 1.00 0.00 H new ATOM 0 H3' A A 11 -8.233 4.652 -6.427 1.00 0.00 H new ATOM 0 H2' A A 11 -6.353 5.606 -7.667 1.00 0.00 H new ATOM 0 HO2' A A 11 -7.860 5.489 -9.691 1.00 0.00 H new ATOM 0 H1' A A 11 -7.477 8.212 -7.928 1.00 0.00 H new ATOM 0 H8 A A 11 -7.116 6.137 -4.649 1.00 0.00 H new ATOM 0 H61 A A 11 -2.393 10.026 -3.376 1.00 0.00 H new ATOM 0 H62 A A 11 -3.340 8.664 -2.767 1.00 0.00 H new ATOM 0 H2 A A 11 -4.040 11.104 -7.389 1.00 0.00 H new ATOM 361 P U A 12 -9.483 2.719 -7.690 1.00 0.00 P ATOM 362 OP1 U A 12 -8.934 1.633 -8.535 1.00 0.00 O ATOM 363 OP2 U A 12 -10.949 2.910 -7.640 1.00 0.00 O ATOM 364 O5' U A 12 -8.962 2.506 -6.157 1.00 0.00 O ATOM 365 C5' U A 12 -7.796 1.768 -5.819 1.00 0.00 C ATOM 366 C4' U A 12 -6.485 2.430 -6.288 1.00 0.00 C ATOM 367 O4' U A 12 -6.081 3.511 -5.456 1.00 0.00 O ATOM 368 C3' U A 12 -5.329 1.430 -6.278 1.00 0.00 C ATOM 369 O3' U A 12 -5.344 0.635 -7.460 1.00 0.00 O ATOM 370 C2' U A 12 -4.125 2.363 -6.142 1.00 0.00 C ATOM 371 O2' U A 12 -3.743 2.970 -7.367 1.00 0.00 O ATOM 372 C1' U A 12 -4.682 3.417 -5.170 1.00 0.00 C ATOM 373 N1 U A 12 -4.398 3.095 -3.724 1.00 0.00 N ATOM 374 C2 U A 12 -3.063 3.204 -3.259 1.00 0.00 C ATOM 375 O2 U A 12 -2.114 3.522 -3.976 1.00 0.00 O ATOM 376 N3 U A 12 -2.842 2.929 -1.903 1.00 0.00 N ATOM 377 C4 U A 12 -3.824 2.566 -0.976 1.00 0.00 C ATOM 378 O4 U A 12 -3.528 2.355 0.196 1.00 0.00 O ATOM 379 C5 U A 12 -5.169 2.474 -1.531 1.00 0.00 C ATOM 380 C6 U A 12 -5.414 2.736 -2.844 1.00 0.00 C ATOM 0 H5' U A 12 -7.867 0.773 -6.258 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.760 1.638 -4.737 1.00 0.00 H new ATOM 0 H4' U A 12 -6.698 2.793 -7.293 1.00 0.00 H new ATOM 0 H3' U A 12 -5.351 0.681 -5.486 1.00 0.00 H new ATOM 0 H2' U A 12 -3.222 1.848 -5.814 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.126 2.466 -8.115 1.00 0.00 H new ATOM 0 H1' U A 12 -4.189 4.378 -5.316 1.00 0.00 H new ATOM 0 H3 U A 12 -1.883 3.000 -1.563 1.00 0.00 H new ATOM 0 H5 U A 12 -5.988 2.192 -0.887 1.00 0.00 H new ATOM 0 H6 U A 12 -6.426 2.663 -3.213 1.00 0.00 H new ATOM 391 P C A 13 -5.039 -0.956 -7.453 1.00 0.00 P ATOM 392 OP1 C A 13 -5.197 -1.460 -8.836 1.00 0.00 O ATOM 393 OP2 C A 13 -5.814 -1.582 -6.358 1.00 0.00 O ATOM 394 O5' C A 13 -3.475 -1.018 -7.051 1.00 0.00 O ATOM 395 C5' C A 13 -2.444 -0.597 -7.932 1.00 0.00 C ATOM 396 C4' C A 13 -1.079 -0.620 -7.231 1.00 0.00 C ATOM 397 O4' C A 13 -1.027 0.336 -6.180 1.00 0.00 O ATOM 398 C3' C A 13 -0.729 -1.967 -6.584 1.00 0.00 C ATOM 399 O3' C A 13 -0.278 -2.928 -7.533 1.00 0.00 O ATOM 400 C2' C A 13 0.316 -1.526 -5.560 1.00 0.00 C ATOM 401 O2' C A 13 1.612 -1.352 -6.112 1.00 0.00 O ATOM 402 C1' C A 13 -0.254 -0.172 -5.094 1.00 0.00 C ATOM 403 N1 C A 13 -1.044 -0.309 -3.819 1.00 0.00 N ATOM 404 C2 C A 13 -0.344 -0.586 -2.619 1.00 0.00 C ATOM 405 O2 C A 13 0.880 -0.733 -2.595 1.00 0.00 O ATOM 406 N3 C A 13 -1.056 -0.696 -1.451 1.00 0.00 N ATOM 407 C4 C A 13 -2.396 -0.558 -1.418 1.00 0.00 C ATOM 408 N4 C A 13 -3.019 -0.683 -0.239 1.00 0.00 N ATOM 409 C5 C A 13 -3.137 -0.279 -2.629 1.00 0.00 C ATOM 410 C6 C A 13 -2.428 -0.161 -3.786 1.00 0.00 C ATOM 0 H5' C A 13 -2.656 0.410 -8.291 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.419 -1.248 -8.806 1.00 0.00 H new ATOM 0 H4' C A 13 -0.370 -0.404 -8.030 1.00 0.00 H new ATOM 0 H3' C A 13 -1.566 -2.499 -6.131 1.00 0.00 H new ATOM 0 H2' C A 13 0.462 -2.267 -4.774 1.00 0.00 H new ATOM 0 HO2' C A 13 1.668 -1.822 -6.970 1.00 0.00 H new ATOM 0 H1' C A 13 0.543 0.529 -4.846 1.00 0.00 H new ATOM 0 H41 C A 13 -4.033 -0.583 -0.185 1.00 0.00 H new ATOM 0 H42 C A 13 -2.480 -0.878 0.605 1.00 0.00 H new ATOM 0 H5 C A 13 -4.211 -0.169 -2.616 1.00 0.00 H new ATOM 0 H6 C A 13 -2.955 0.054 -4.704 1.00 0.00 H new ATOM 422 P U A 14 -0.493 -4.526 -7.334 1.00 0.00 P ATOM 423 OP1 U A 14 0.062 -5.211 -8.523 1.00 0.00 O ATOM 424 OP2 U A 14 -1.904 -4.764 -6.953 1.00 0.00 O ATOM 425 O5' U A 14 0.429 -4.888 -6.051 1.00 0.00 O ATOM 426 C5' U A 14 1.848 -4.908 -6.112 1.00 0.00 C ATOM 427 C4' U A 14 2.474 -5.024 -4.715 1.00 0.00 C ATOM 428 O4' U A 14 2.089 -3.933 -3.889 1.00 0.00 O ATOM 429 C3' U A 14 2.078 -6.275 -3.920 1.00 0.00 C ATOM 430 O3' U A 14 2.731 -7.463 -4.356 1.00 0.00 O ATOM 431 C2' U A 14 2.460 -5.827 -2.507 1.00 0.00 C ATOM 432 O2' U A 14 3.850 -5.916 -2.233 1.00 0.00 O ATOM 433 C1' U A 14 2.029 -4.353 -2.527 1.00 0.00 C ATOM 434 N1 U A 14 0.670 -4.189 -1.902 1.00 0.00 N ATOM 435 C2 U A 14 0.589 -4.188 -0.490 1.00 0.00 C ATOM 436 O2 U A 14 1.567 -4.324 0.246 1.00 0.00 O ATOM 437 N3 U A 14 -0.685 -4.032 0.067 1.00 0.00 N ATOM 438 C4 U A 14 -1.876 -3.900 -0.652 1.00 0.00 C ATOM 439 O4 U A 14 -2.946 -3.779 -0.061 1.00 0.00 O ATOM 440 C5 U A 14 -1.708 -3.921 -2.101 1.00 0.00 C ATOM 441 C6 U A 14 -0.480 -4.063 -2.670 1.00 0.00 C ATOM 0 H5' U A 14 2.204 -3.999 -6.596 1.00 0.00 H new ATOM 0 H5'' U A 14 2.174 -5.746 -6.728 1.00 0.00 H new ATOM 0 H4' U A 14 3.542 -5.056 -4.931 1.00 0.00 H new ATOM 0 H3' U A 14 1.034 -6.571 -4.027 1.00 0.00 H new ATOM 0 H2' U A 14 1.997 -6.450 -1.741 1.00 0.00 H new ATOM 0 HO2' U A 14 3.993 -6.485 -1.448 1.00 0.00 H new ATOM 0 H1' U A 14 2.687 -3.722 -1.930 1.00 0.00 H new ATOM 0 H3 U A 14 -0.750 -4.013 1.085 1.00 0.00 H new ATOM 0 H5 U A 14 -2.576 -3.822 -2.735 1.00 0.00 H new ATOM 0 H6 U A 14 -0.398 -4.078 -3.747 1.00 0.00 H new ATOM 452 P U A 15 2.167 -8.950 -4.005 1.00 0.00 P ATOM 453 OP1 U A 15 3.067 -9.937 -4.645 1.00 0.00 O ATOM 454 OP2 U A 15 0.721 -8.983 -4.317 1.00 0.00 O ATOM 455 O5' U A 15 2.321 -9.078 -2.394 1.00 0.00 O ATOM 456 C5' U A 15 3.580 -9.242 -1.756 1.00 0.00 C ATOM 457 C4' U A 15 3.479 -9.078 -0.231 1.00 0.00 C ATOM 458 O4' U A 15 2.925 -7.819 0.140 1.00 0.00 O ATOM 459 C3' U A 15 2.599 -10.113 0.482 1.00 0.00 C ATOM 460 O3' U A 15 3.203 -11.398 0.597 1.00 0.00 O ATOM 461 C2' U A 15 2.391 -9.398 1.820 1.00 0.00 C ATOM 462 O2' U A 15 3.503 -9.483 2.698 1.00 0.00 O ATOM 463 C1' U A 15 2.202 -7.950 1.365 1.00 0.00 C ATOM 464 N1 U A 15 0.746 -7.597 1.251 1.00 0.00 N ATOM 465 C2 U A 15 0.053 -7.242 2.431 1.00 0.00 C ATOM 466 O2 U A 15 0.570 -7.224 3.549 1.00 0.00 O ATOM 467 N3 U A 15 -1.296 -6.905 2.290 1.00 0.00 N ATOM 468 C4 U A 15 -2.015 -6.910 1.092 1.00 0.00 C ATOM 469 O4 U A 15 -3.204 -6.601 1.085 1.00 0.00 O ATOM 470 C5 U A 15 -1.234 -7.301 -0.075 1.00 0.00 C ATOM 471 C6 U A 15 0.083 -7.625 0.031 1.00 0.00 C ATOM 0 H5' U A 15 4.285 -8.512 -2.153 1.00 0.00 H new ATOM 0 H5'' U A 15 3.978 -10.230 -1.989 1.00 0.00 H new ATOM 0 H4' U A 15 4.517 -9.197 0.078 1.00 0.00 H new ATOM 0 H3' U A 15 1.678 -10.369 -0.042 1.00 0.00 H new ATOM 0 H2' U A 15 1.570 -9.831 2.391 1.00 0.00 H new ATOM 0 HO2' U A 15 3.301 -9.005 3.529 1.00 0.00 H new ATOM 0 H1' U A 15 2.591 -7.239 2.094 1.00 0.00 H new ATOM 0 H3 U A 15 -1.799 -6.632 3.134 1.00 0.00 H new ATOM 0 H5 U A 15 -1.711 -7.334 -1.044 1.00 0.00 H new ATOM 0 H6 U A 15 0.627 -7.911 -0.857 1.00 0.00 H new ATOM 482 P C A 16 2.342 -12.740 0.920 1.00 0.00 P ATOM 483 OP1 C A 16 3.286 -13.879 0.981 1.00 0.00 O ATOM 484 OP2 C A 16 1.204 -12.796 -0.026 1.00 0.00 O ATOM 485 O5' C A 16 1.730 -12.495 2.403 1.00 0.00 O ATOM 486 C5' C A 16 2.525 -12.543 3.581 1.00 0.00 C ATOM 487 C4' C A 16 1.751 -12.048 4.817 1.00 0.00 C ATOM 488 O4' C A 16 1.233 -10.736 4.638 1.00 0.00 O ATOM 489 C3' C A 16 0.535 -12.903 5.190 1.00 0.00 C ATOM 490 O3' C A 16 0.881 -14.122 5.824 1.00 0.00 O ATOM 491 C2' C A 16 -0.249 -11.926 6.072 1.00 0.00 C ATOM 492 O2' C A 16 0.224 -11.849 7.409 1.00 0.00 O ATOM 493 C1' C A 16 0.005 -10.586 5.352 1.00 0.00 C ATOM 494 N1 C A 16 -1.163 -10.225 4.472 1.00 0.00 N ATOM 495 C2 C A 16 -2.342 -9.724 5.081 1.00 0.00 C ATOM 496 O2 C A 16 -2.431 -9.567 6.300 1.00 0.00 O ATOM 497 N3 C A 16 -3.416 -9.412 4.283 1.00 0.00 N ATOM 498 C4 C A 16 -3.374 -9.576 2.944 1.00 0.00 C ATOM 499 N4 C A 16 -4.456 -9.254 2.221 1.00 0.00 N ATOM 500 C5 C A 16 -2.185 -10.089 2.298 1.00 0.00 C ATOM 501 C6 C A 16 -1.122 -10.394 3.093 1.00 0.00 C ATOM 0 H5' C A 16 3.417 -11.932 3.442 1.00 0.00 H new ATOM 0 H5'' C A 16 2.863 -13.566 3.750 1.00 0.00 H new ATOM 0 H4' C A 16 2.504 -12.098 5.604 1.00 0.00 H new ATOM 0 H3' C A 16 -0.039 -13.269 4.339 1.00 0.00 H new ATOM 0 H2' C A 16 -1.293 -12.221 6.177 1.00 0.00 H new ATOM 0 HO2' C A 16 0.749 -12.650 7.617 1.00 0.00 H new ATOM 0 HO3' C A 16 0.066 -14.622 6.039 1.00 0.00 H new ATOM 0 H1' C A 16 0.096 -9.755 6.051 1.00 0.00 H new ATOM 0 H41 C A 16 -4.445 -9.370 1.208 1.00 0.00 H new ATOM 0 H42 C A 16 -5.290 -8.893 2.684 1.00 0.00 H new ATOM 0 H5 C A 16 -2.142 -10.225 1.227 1.00 0.00 H new ATOM 0 H6 C A 16 -0.221 -10.778 2.639 1.00 0.00 H new TER 514 C A 16