USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 136 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 Set 1.1: A 5 C O2' : rot 15:sc= 0.181 USER MOD Set 1.2: B 9 C O2' : rot 136:sc= 0.983 USER MOD Single : A 1 C O2' : rot 11:sc= 0.244 USER MOD Single : A 1 C O5' : rot 43:sc= -0.183 USER MOD Single : A 2 G O2' : rot -26:sc= 0.248 USER MOD Single : A 3 C O2' : rot 135:sc= 0.551 USER MOD Single : A 4 G O2' : rot -14:sc= 0.172 USER MOD Single : A 6 G O2' : rot -19:sc= 0.137 USER MOD Single : A 6 G O3' : rot 180:sc= 0.137 USER MOD Single : B 7 C O2' : rot 24:sc= 0.236 USER MOD Single : B 7 C O5' : rot 49:sc= -0.777! USER MOD Single : B 8 G O2' : rot -32:sc= 0.193 USER MOD Single : B 10 G O2' : rot -23:sc= 0.281 USER MOD Single : B 11 C O2' : rot 25:sc= 0.135 USER MOD Single : B 12 G O2' : rot -17:sc= 0.137 USER MOD Single : B 12 G O3' : rot 180:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 21.311 -3.414 6.596 1.00 0.00 O ATOM 2 C5' C A 1 20.110 -2.987 7.246 1.00 0.00 C ATOM 3 C4' C A 1 18.895 -3.634 6.622 1.00 0.00 C ATOM 4 O4' C A 1 18.678 -3.062 5.308 1.00 0.00 O ATOM 5 C3' C A 1 19.000 -5.133 6.377 1.00 0.00 C ATOM 6 O3' C A 1 17.718 -5.751 6.381 1.00 0.00 O ATOM 7 C2' C A 1 19.673 -5.213 5.009 1.00 0.00 C ATOM 8 O2' C A 1 19.225 -6.346 4.289 1.00 0.00 O ATOM 9 C1' C A 1 19.136 -3.958 4.314 1.00 0.00 C ATOM 10 N1 C A 1 20.155 -3.268 3.509 1.00 0.00 N ATOM 11 C2 C A 1 20.356 -3.665 2.185 1.00 0.00 C ATOM 12 O2 C A 1 19.648 -4.565 1.713 1.00 0.00 O ATOM 13 N3 C A 1 21.315 -3.057 1.452 1.00 0.00 N ATOM 14 C4 C A 1 22.054 -2.088 1.994 1.00 0.00 C ATOM 15 N4 C A 1 22.995 -1.524 1.237 1.00 0.00 N ATOM 16 C5 C A 1 21.863 -1.654 3.337 1.00 0.00 C ATOM 17 C6 C A 1 20.907 -2.263 4.049 1.00 0.00 C ATOM 0 H5' C A 1 20.023 -1.903 7.180 1.00 0.00 H new ATOM 0 H5'' C A 1 20.157 -3.239 8.305 1.00 0.00 H new ATOM 0 H4' C A 1 18.098 -3.456 7.344 1.00 0.00 H new ATOM 0 H3' C A 1 19.559 -5.659 7.151 1.00 0.00 H new ATOM 0 H2' C A 1 20.759 -5.283 5.074 1.00 0.00 H new ATOM 0 HO2' C A 1 18.458 -6.744 4.750 1.00 0.00 H new ATOM 0 HO5' C A 1 21.174 -3.419 5.626 1.00 0.00 H new ATOM 0 H1' C A 1 18.339 -4.272 3.640 1.00 0.00 H new ATOM 0 H41 C A 1 23.579 -0.780 1.619 1.00 0.00 H new ATOM 0 H42 C A 1 23.131 -1.837 0.276 1.00 0.00 H new ATOM 0 H5 C A 1 22.465 -0.865 3.764 1.00 0.00 H new ATOM 0 H6 C A 1 20.727 -1.955 5.068 1.00 0.00 H new ATOM 30 P G A 2 16.881 -5.841 7.751 1.00 0.00 P ATOM 31 OP1 G A 2 17.835 -6.125 8.854 1.00 0.00 O ATOM 32 OP2 G A 2 15.728 -6.750 7.527 1.00 0.00 O ATOM 33 O5' G A 2 16.322 -4.362 7.942 1.00 0.00 O ATOM 34 C5' G A 2 15.663 -3.692 6.871 1.00 0.00 C ATOM 35 C4' G A 2 15.598 -2.210 7.138 1.00 0.00 C ATOM 36 O4' G A 2 16.908 -1.633 7.002 1.00 0.00 O ATOM 37 C3' G A 2 14.777 -1.399 6.146 1.00 0.00 C ATOM 38 O3' G A 2 13.388 -1.448 6.460 1.00 0.00 O ATOM 39 C2' G A 2 15.340 0.015 6.302 1.00 0.00 C ATOM 40 O2' G A 2 14.629 0.734 7.292 1.00 0.00 O ATOM 41 C1' G A 2 16.759 -0.245 6.822 1.00 0.00 C ATOM 42 N9 G A 2 17.813 0.220 5.928 1.00 0.00 N ATOM 43 C8 G A 2 18.789 1.140 6.216 1.00 0.00 C ATOM 44 N7 G A 2 19.595 1.368 5.216 1.00 0.00 N ATOM 45 C5 G A 2 19.124 0.543 4.203 1.00 0.00 C ATOM 46 C6 G A 2 19.592 0.354 2.877 1.00 0.00 C ATOM 47 O6 G A 2 20.550 0.896 2.312 1.00 0.00 O ATOM 48 N1 G A 2 18.821 -0.577 2.190 1.00 0.00 N ATOM 49 C2 G A 2 17.740 -1.243 2.712 1.00 0.00 C ATOM 50 N2 G A 2 17.131 -2.109 1.899 1.00 0.00 N ATOM 51 N3 G A 2 17.290 -1.074 3.942 1.00 0.00 N ATOM 52 C4 G A 2 18.025 -0.174 4.628 1.00 0.00 C ATOM 0 H5' G A 2 14.656 -4.090 6.750 1.00 0.00 H new ATOM 0 H5'' G A 2 16.194 -3.877 5.937 1.00 0.00 H new ATOM 0 H4' G A 2 15.152 -2.157 8.131 1.00 0.00 H new ATOM 0 H3' G A 2 14.848 -1.773 5.125 1.00 0.00 H new ATOM 0 H2' G A 2 15.286 0.592 5.379 1.00 0.00 H new ATOM 0 HO2' G A 2 13.723 0.370 7.373 1.00 0.00 H new ATOM 0 H1' G A 2 16.868 0.316 7.750 1.00 0.00 H new ATOM 0 H8 G A 2 18.881 1.627 7.175 1.00 0.00 H new ATOM 0 H1 G A 2 19.078 -0.781 1.224 1.00 0.00 H new ATOM 0 H21 G A 2 16.322 -2.635 2.228 1.00 0.00 H new ATOM 0 H22 G A 2 17.475 -2.245 0.948 1.00 0.00 H new ATOM 64 P C A 3 12.400 -2.373 5.591 1.00 0.00 P ATOM 65 OP1 C A 3 11.016 -2.039 6.016 1.00 0.00 O ATOM 66 OP2 C A 3 12.865 -3.780 5.653 1.00 0.00 O ATOM 67 O5' C A 3 12.591 -1.856 4.099 1.00 0.00 O ATOM 68 C5' C A 3 11.500 -1.861 3.184 1.00 0.00 C ATOM 69 C4' C A 3 11.957 -1.394 1.827 1.00 0.00 C ATOM 70 O4' C A 3 12.733 -0.177 1.994 1.00 0.00 O ATOM 71 C3' C A 3 12.866 -2.377 1.081 1.00 0.00 C ATOM 72 O3' C A 3 12.406 -2.613 -0.244 1.00 0.00 O ATOM 73 C2' C A 3 14.233 -1.698 1.087 1.00 0.00 C ATOM 74 O2' C A 3 14.936 -1.950 -0.115 1.00 0.00 O ATOM 75 C1' C A 3 13.836 -0.228 1.128 1.00 0.00 C ATOM 76 N1 C A 3 14.896 0.660 1.630 1.00 0.00 N ATOM 77 C2 C A 3 15.833 1.151 0.721 1.00 0.00 C ATOM 78 O2 C A 3 15.724 0.848 -0.474 1.00 0.00 O ATOM 79 N3 C A 3 16.831 1.945 1.161 1.00 0.00 N ATOM 80 C4 C A 3 16.905 2.266 2.452 1.00 0.00 C ATOM 81 N4 C A 3 17.911 3.047 2.840 1.00 0.00 N ATOM 82 C5 C A 3 15.953 1.797 3.403 1.00 0.00 C ATOM 83 C6 C A 3 14.977 0.995 2.954 1.00 0.00 C ATOM 0 H5' C A 3 10.705 -1.212 3.551 1.00 0.00 H new ATOM 0 H5'' C A 3 11.083 -2.865 3.110 1.00 0.00 H new ATOM 0 H4' C A 3 11.046 -1.268 1.242 1.00 0.00 H new ATOM 0 H3' C A 3 12.888 -3.360 1.552 1.00 0.00 H new ATOM 0 H2' C A 3 14.880 -2.034 1.898 1.00 0.00 H new ATOM 0 HO2' C A 3 15.329 -1.115 -0.445 1.00 0.00 H new ATOM 0 H1' C A 3 13.624 0.124 0.118 1.00 0.00 H new ATOM 0 H41 C A 3 18.001 3.314 3.820 1.00 0.00 H new ATOM 0 H42 C A 3 18.592 3.378 2.157 1.00 0.00 H new ATOM 0 H5 C A 3 16.015 2.077 4.444 1.00 0.00 H new ATOM 0 H6 C A 3 14.245 0.608 3.647 1.00 0.00 H new ATOM 95 P G A 4 11.077 -3.483 -0.484 1.00 0.00 P ATOM 96 OP1 G A 4 11.068 -4.585 0.513 1.00 0.00 O ATOM 97 OP2 G A 4 10.987 -3.803 -1.931 1.00 0.00 O ATOM 98 O5' G A 4 9.894 -2.480 -0.121 1.00 0.00 O ATOM 99 C5' G A 4 9.625 -1.343 -0.936 1.00 0.00 C ATOM 100 C4' G A 4 8.860 -0.309 -0.154 1.00 0.00 C ATOM 101 O4' G A 4 9.589 0.042 1.043 1.00 0.00 O ATOM 102 C3' G A 4 8.700 1.024 -0.862 1.00 0.00 C ATOM 103 O3' G A 4 7.607 0.988 -1.774 1.00 0.00 O ATOM 104 C2' G A 4 8.476 2.010 0.283 1.00 0.00 C ATOM 105 O2' G A 4 7.102 2.128 0.595 1.00 0.00 O ATOM 106 C1' G A 4 9.190 1.331 1.457 1.00 0.00 C ATOM 107 N9 G A 4 10.368 2.066 1.909 1.00 0.00 N ATOM 108 C8 G A 4 10.595 2.580 3.163 1.00 0.00 C ATOM 109 N7 G A 4 11.740 3.198 3.267 1.00 0.00 N ATOM 110 C5 G A 4 12.303 3.088 2.003 1.00 0.00 C ATOM 111 C6 G A 4 13.542 3.570 1.501 1.00 0.00 C ATOM 112 O6 G A 4 14.422 4.210 2.094 1.00 0.00 O ATOM 113 N1 G A 4 13.712 3.237 0.162 1.00 0.00 N ATOM 114 C2 G A 4 12.814 2.532 -0.598 1.00 0.00 C ATOM 115 N2 G A 4 13.163 2.311 -1.869 1.00 0.00 N ATOM 116 N3 G A 4 11.659 2.078 -0.146 1.00 0.00 N ATOM 117 C4 G A 4 11.469 2.390 1.153 1.00 0.00 C ATOM 0 H5' G A 4 9.052 -1.643 -1.813 1.00 0.00 H new ATOM 0 H5'' G A 4 10.561 -0.917 -1.298 1.00 0.00 H new ATOM 0 H4' G A 4 7.889 -0.774 0.015 1.00 0.00 H new ATOM 0 H3' G A 4 9.560 1.298 -1.474 1.00 0.00 H new ATOM 0 H2' G A 4 8.834 3.012 0.047 1.00 0.00 H new ATOM 0 HO2' G A 4 6.568 1.731 -0.124 1.00 0.00 H new ATOM 0 H1' G A 4 8.493 1.294 2.295 1.00 0.00 H new ATOM 0 H8 G A 4 9.896 2.482 3.981 1.00 0.00 H new ATOM 0 H1 G A 4 14.573 3.541 -0.291 1.00 0.00 H new ATOM 0 H21 G A 4 12.538 1.792 -2.487 1.00 0.00 H new ATOM 0 H22 G A 4 14.054 2.661 -2.221 1.00 0.00 H new ATOM 129 P C A 5 7.891 0.904 -3.354 1.00 0.00 P ATOM 130 OP1 C A 5 6.571 0.802 -4.030 1.00 0.00 O ATOM 131 OP2 C A 5 8.922 -0.136 -3.600 1.00 0.00 O ATOM 132 O5' C A 5 8.524 2.323 -3.700 1.00 0.00 O ATOM 133 C5' C A 5 8.062 3.084 -4.812 1.00 0.00 C ATOM 134 C4' C A 5 9.121 4.070 -5.237 1.00 0.00 C ATOM 135 O4' C A 5 9.337 5.014 -4.149 1.00 0.00 O ATOM 136 C3' C A 5 10.490 3.456 -5.525 1.00 0.00 C ATOM 137 O3' C A 5 11.148 4.124 -6.596 1.00 0.00 O ATOM 138 C2' C A 5 11.228 3.641 -4.207 1.00 0.00 C ATOM 139 O2' C A 5 12.627 3.731 -4.403 1.00 0.00 O ATOM 140 C1' C A 5 10.701 5.007 -3.789 1.00 0.00 C ATOM 141 N1 C A 5 10.815 5.300 -2.352 1.00 0.00 N ATOM 142 C2 C A 5 11.826 6.160 -1.932 1.00 0.00 C ATOM 143 O2 C A 5 12.590 6.640 -2.778 1.00 0.00 O ATOM 144 N3 C A 5 11.948 6.450 -0.620 1.00 0.00 N ATOM 145 C4 C A 5 11.097 5.923 0.260 1.00 0.00 C ATOM 146 N4 C A 5 11.253 6.242 1.543 1.00 0.00 N ATOM 147 C5 C A 5 10.050 5.045 -0.138 1.00 0.00 C ATOM 148 C6 C A 5 9.953 4.752 -1.443 1.00 0.00 C ATOM 0 H5' C A 5 7.147 3.613 -4.546 1.00 0.00 H new ATOM 0 H5'' C A 5 7.817 2.420 -5.641 1.00 0.00 H new ATOM 0 H4' C A 5 8.746 4.517 -6.158 1.00 0.00 H new ATOM 0 H3' C A 5 10.436 2.414 -5.842 1.00 0.00 H new ATOM 0 H2' C A 5 11.075 2.827 -3.499 1.00 0.00 H new ATOM 0 HO2' C A 5 12.815 3.896 -5.351 1.00 0.00 H new ATOM 0 H1' C A 5 11.301 5.772 -4.283 1.00 0.00 H new ATOM 0 H41 C A 5 10.620 5.858 2.245 1.00 0.00 H new ATOM 0 H42 C A 5 12.005 6.871 1.824 1.00 0.00 H new ATOM 0 H5 C A 5 9.361 4.631 0.583 1.00 0.00 H new ATOM 0 H6 C A 5 9.183 4.074 -1.781 1.00 0.00 H new ATOM 160 P G A 6 10.821 3.712 -8.114 1.00 0.00 P ATOM 161 OP1 G A 6 10.763 2.229 -8.176 1.00 0.00 O ATOM 162 OP2 G A 6 11.753 4.447 -9.007 1.00 0.00 O ATOM 163 O5' G A 6 9.350 4.272 -8.360 1.00 0.00 O ATOM 164 C5' G A 6 9.068 5.667 -8.267 1.00 0.00 C ATOM 165 C4' G A 6 7.577 5.887 -8.174 1.00 0.00 C ATOM 166 O4' G A 6 7.113 5.432 -6.879 1.00 0.00 O ATOM 167 C3' G A 6 7.121 7.338 -8.243 1.00 0.00 C ATOM 168 O3' G A 6 6.986 7.805 -9.589 1.00 0.00 O ATOM 169 C2' G A 6 5.780 7.307 -7.517 1.00 0.00 C ATOM 170 O2' G A 6 4.743 6.881 -8.380 1.00 0.00 O ATOM 171 C1' G A 6 6.012 6.219 -6.466 1.00 0.00 C ATOM 172 N9 G A 6 6.298 6.740 -5.133 1.00 0.00 N ATOM 173 C8 G A 6 5.457 6.733 -4.047 1.00 0.00 C ATOM 174 N7 G A 6 5.993 7.254 -2.977 1.00 0.00 N ATOM 175 C5 G A 6 7.264 7.637 -3.383 1.00 0.00 C ATOM 176 C6 G A 6 8.309 8.263 -2.659 1.00 0.00 C ATOM 177 O6 G A 6 8.321 8.615 -1.474 1.00 0.00 O ATOM 178 N1 G A 6 9.429 8.474 -3.455 1.00 0.00 N ATOM 179 C2 G A 6 9.531 8.129 -4.778 1.00 0.00 C ATOM 180 N2 G A 6 10.696 8.413 -5.373 1.00 0.00 N ATOM 181 N3 G A 6 8.564 7.547 -5.468 1.00 0.00 N ATOM 182 C4 G A 6 7.467 7.331 -4.713 1.00 0.00 C ATOM 0 H5' G A 6 9.467 6.186 -9.139 1.00 0.00 H new ATOM 0 H5'' G A 6 9.562 6.089 -7.391 1.00 0.00 H new ATOM 0 H4' G A 6 7.176 5.349 -9.033 1.00 0.00 H new ATOM 0 H3' G A 6 7.838 8.027 -7.797 1.00 0.00 H new ATOM 0 H2' G A 6 5.487 8.281 -7.125 1.00 0.00 H new ATOM 0 HO2' G A 6 5.030 6.984 -9.311 1.00 0.00 H new ATOM 0 HO3' G A 6 6.690 8.739 -9.583 1.00 0.00 H new ATOM 0 H1' G A 6 5.089 5.645 -6.393 1.00 0.00 H new ATOM 0 H8 G A 6 4.453 6.336 -4.076 1.00 0.00 H new ATOM 0 H1 G A 6 10.237 8.920 -3.021 1.00 0.00 H new ATOM 0 H21 G A 6 10.836 8.182 -6.357 1.00 0.00 H new ATOM 0 H22 G A 6 11.444 8.861 -4.843 1.00 0.00 H new TER 195 G A 6 ATOM 196 O5' C B 7 14.390 13.576 -0.201 1.00 0.00 O ATOM 197 C5' C B 7 15.794 13.352 -0.361 1.00 0.00 C ATOM 198 C4' C B 7 16.108 12.831 -1.744 1.00 0.00 C ATOM 199 O4' C B 7 15.595 11.481 -1.865 1.00 0.00 O ATOM 200 C3' C B 7 15.473 13.593 -2.899 1.00 0.00 C ATOM 201 O3' C B 7 16.254 13.483 -4.084 1.00 0.00 O ATOM 202 C2' C B 7 14.106 12.928 -3.046 1.00 0.00 C ATOM 203 O2' C B 7 13.687 12.926 -4.396 1.00 0.00 O ATOM 204 C1' C B 7 14.409 11.483 -2.636 1.00 0.00 C ATOM 205 N1 C B 7 13.338 10.877 -1.829 1.00 0.00 N ATOM 206 C2 C B 7 12.308 10.185 -2.473 1.00 0.00 C ATOM 207 O2 C B 7 12.332 10.078 -3.708 1.00 0.00 O ATOM 208 N3 C B 7 11.311 9.648 -1.733 1.00 0.00 N ATOM 209 C4 C B 7 11.322 9.780 -0.404 1.00 0.00 C ATOM 210 N4 C B 7 10.318 9.240 0.285 1.00 0.00 N ATOM 211 C5 C B 7 12.363 10.473 0.277 1.00 0.00 C ATOM 212 C6 C B 7 13.344 10.996 -0.467 1.00 0.00 C ATOM 0 H5' C B 7 16.139 12.638 0.387 1.00 0.00 H new ATOM 0 H5'' C B 7 16.336 14.282 -0.188 1.00 0.00 H new ATOM 0 H4' C B 7 17.191 12.926 -1.825 1.00 0.00 H new ATOM 0 H3' C B 7 15.398 14.665 -2.719 1.00 0.00 H new ATOM 0 H2' C B 7 13.327 13.426 -2.468 1.00 0.00 H new ATOM 0 HO2' C B 7 14.470 12.996 -4.982 1.00 0.00 H new ATOM 0 HO5' C B 7 13.896 12.788 -0.510 1.00 0.00 H new ATOM 0 H1' C B 7 14.505 10.897 -3.550 1.00 0.00 H new ATOM 0 H41 C B 7 10.295 9.322 1.301 1.00 0.00 H new ATOM 0 H42 C B 7 9.572 8.745 -0.204 1.00 0.00 H new ATOM 0 H5 C B 7 12.361 10.572 1.352 1.00 0.00 H new ATOM 0 H6 C B 7 14.155 11.521 0.016 1.00 0.00 H new ATOM 225 P G B 8 17.694 14.194 -4.158 1.00 0.00 P ATOM 226 OP1 G B 8 17.587 15.511 -3.480 1.00 0.00 O ATOM 227 OP2 G B 8 18.171 14.129 -5.563 1.00 0.00 O ATOM 228 O5' G B 8 18.620 13.250 -3.269 1.00 0.00 O ATOM 229 C5' G B 8 18.676 11.847 -3.516 1.00 0.00 C ATOM 230 C4' G B 8 19.302 11.131 -2.346 1.00 0.00 C ATOM 231 O4' G B 8 18.458 11.242 -1.187 1.00 0.00 O ATOM 232 C3' G B 8 19.446 9.625 -2.491 1.00 0.00 C ATOM 233 O3' G B 8 20.574 9.283 -3.289 1.00 0.00 O ATOM 234 C2' G B 8 19.610 9.164 -1.043 1.00 0.00 C ATOM 235 O2' G B 8 20.967 9.213 -0.648 1.00 0.00 O ATOM 236 C1' G B 8 18.842 10.244 -0.270 1.00 0.00 C ATOM 237 N9 G B 8 17.647 9.743 0.399 1.00 0.00 N ATOM 238 C8 G B 8 17.385 9.771 1.745 1.00 0.00 C ATOM 239 N7 G B 8 16.241 9.229 2.059 1.00 0.00 N ATOM 240 C5 G B 8 15.711 8.824 0.841 1.00 0.00 C ATOM 241 C6 G B 8 14.488 8.171 0.541 1.00 0.00 C ATOM 242 O6 G B 8 13.599 7.804 1.317 1.00 0.00 O ATOM 243 N1 G B 8 14.349 7.952 -0.825 1.00 0.00 N ATOM 244 C2 G B 8 15.264 8.317 -1.780 1.00 0.00 C ATOM 245 N2 G B 8 14.941 8.040 -3.046 1.00 0.00 N ATOM 246 N3 G B 8 16.409 8.915 -1.514 1.00 0.00 N ATOM 247 C4 G B 8 16.566 9.139 -0.193 1.00 0.00 C ATOM 0 H5' G B 8 19.253 11.653 -4.420 1.00 0.00 H new ATOM 0 H5'' G B 8 17.671 11.462 -3.691 1.00 0.00 H new ATOM 0 H4' G B 8 20.281 11.605 -2.275 1.00 0.00 H new ATOM 0 H3' G B 8 18.603 9.154 -2.996 1.00 0.00 H new ATOM 0 H2' G B 8 19.265 8.143 -0.882 1.00 0.00 H new ATOM 0 HO2' G B 8 21.540 9.024 -1.421 1.00 0.00 H new ATOM 0 H1' G B 8 19.504 10.623 0.509 1.00 0.00 H new ATOM 0 H8 G B 8 18.059 10.199 2.472 1.00 0.00 H new ATOM 0 H1 G B 8 13.500 7.483 -1.142 1.00 0.00 H new ATOM 0 H21 G B 8 15.581 8.287 -3.801 1.00 0.00 H new ATOM 0 H22 G B 8 14.055 7.581 -3.258 1.00 0.00 H new ATOM 259 P C B 9 20.368 8.829 -4.818 1.00 0.00 P ATOM 260 OP1 C B 9 21.683 8.341 -5.304 1.00 0.00 O ATOM 261 OP2 C B 9 19.670 9.910 -5.557 1.00 0.00 O ATOM 262 O5' C B 9 19.383 7.582 -4.727 1.00 0.00 O ATOM 263 C5' C B 9 19.552 6.464 -5.591 1.00 0.00 C ATOM 264 C4' C B 9 18.636 5.342 -5.176 1.00 0.00 C ATOM 265 O4' C B 9 18.756 5.144 -3.742 1.00 0.00 O ATOM 266 C3' C B 9 17.147 5.591 -5.440 1.00 0.00 C ATOM 267 O3' C B 9 16.584 4.551 -6.230 1.00 0.00 O ATOM 268 C2' C B 9 16.520 5.648 -4.047 1.00 0.00 C ATOM 269 O2' C B 9 15.248 5.028 -4.017 1.00 0.00 O ATOM 270 C1' C B 9 17.494 4.796 -3.246 1.00 0.00 C ATOM 271 N1 C B 9 17.442 5.040 -1.796 1.00 0.00 N ATOM 272 C2 C B 9 16.456 4.388 -1.059 1.00 0.00 C ATOM 273 O2 C B 9 15.679 3.620 -1.645 1.00 0.00 O ATOM 274 N3 C B 9 16.367 4.603 0.268 1.00 0.00 N ATOM 275 C4 C B 9 17.226 5.424 0.868 1.00 0.00 C ATOM 276 N4 C B 9 17.093 5.599 2.182 1.00 0.00 N ATOM 277 C5 C B 9 18.255 6.100 0.147 1.00 0.00 C ATOM 278 C6 C B 9 18.322 5.885 -1.176 1.00 0.00 C ATOM 0 H5' C B 9 20.588 6.127 -5.563 1.00 0.00 H new ATOM 0 H5'' C B 9 19.340 6.755 -6.620 1.00 0.00 H new ATOM 0 H4' C B 9 18.948 4.486 -5.775 1.00 0.00 H new ATOM 0 H3' C B 9 16.970 6.507 -6.004 1.00 0.00 H new ATOM 0 H2' C B 9 16.371 6.667 -3.689 1.00 0.00 H new ATOM 0 HO2' C B 9 15.176 4.469 -3.216 1.00 0.00 H new ATOM 0 H1' C B 9 17.249 3.740 -3.360 1.00 0.00 H new ATOM 0 H41 C B 9 17.730 6.220 2.681 1.00 0.00 H new ATOM 0 H42 C B 9 16.354 5.112 2.689 1.00 0.00 H new ATOM 0 H5 C B 9 18.952 6.758 0.646 1.00 0.00 H new ATOM 0 H6 C B 9 19.081 6.386 -1.759 1.00 0.00 H new ATOM 290 P G B 10 16.948 4.451 -7.791 1.00 0.00 P ATOM 291 OP1 G B 10 17.021 5.835 -8.325 1.00 0.00 O ATOM 292 OP2 G B 10 16.024 3.472 -8.417 1.00 0.00 O ATOM 293 O5' G B 10 18.421 3.841 -7.804 1.00 0.00 O ATOM 294 C5' G B 10 18.664 2.488 -7.422 1.00 0.00 C ATOM 295 C4' G B 10 20.109 2.311 -7.020 1.00 0.00 C ATOM 296 O4' G B 10 20.423 3.250 -5.969 1.00 0.00 O ATOM 297 C3' G B 10 20.448 0.958 -6.411 1.00 0.00 C ATOM 298 O3' G B 10 20.783 0.009 -7.420 1.00 0.00 O ATOM 299 C2' G B 10 21.642 1.249 -5.499 1.00 0.00 C ATOM 300 O2' G B 10 22.863 1.040 -6.182 1.00 0.00 O ATOM 301 C1' G B 10 21.500 2.746 -5.209 1.00 0.00 C ATOM 302 N9 G B 10 21.246 3.028 -3.800 1.00 0.00 N ATOM 303 C8 G B 10 22.029 3.765 -2.946 1.00 0.00 C ATOM 304 N7 G B 10 21.544 3.840 -1.737 1.00 0.00 N ATOM 305 C5 G B 10 20.369 3.102 -1.794 1.00 0.00 C ATOM 306 C6 G B 10 19.411 2.820 -0.788 1.00 0.00 C ATOM 307 O6 G B 10 19.406 3.179 0.396 1.00 0.00 O ATOM 308 N1 G B 10 18.375 2.032 -1.276 1.00 0.00 N ATOM 309 C2 G B 10 18.270 1.576 -2.566 1.00 0.00 C ATOM 310 N2 G B 10 17.197 0.831 -2.846 1.00 0.00 N ATOM 311 N3 G B 10 19.154 1.832 -3.514 1.00 0.00 N ATOM 312 C4 G B 10 20.171 2.595 -3.061 1.00 0.00 C ATOM 0 H5' G B 10 18.425 1.820 -8.250 1.00 0.00 H new ATOM 0 H5'' G B 10 18.012 2.214 -6.593 1.00 0.00 H new ATOM 0 H4' G B 10 20.665 2.442 -7.948 1.00 0.00 H new ATOM 0 H3' G B 10 19.609 0.521 -5.869 1.00 0.00 H new ATOM 0 H2' G B 10 21.652 0.613 -4.614 1.00 0.00 H new ATOM 0 HO2' G B 10 22.716 0.431 -6.936 1.00 0.00 H new ATOM 0 H1' G B 10 22.443 3.223 -5.475 1.00 0.00 H new ATOM 0 H8 G B 10 22.954 4.236 -3.245 1.00 0.00 H new ATOM 0 H1 G B 10 17.635 1.772 -0.624 1.00 0.00 H new ATOM 0 H21 G B 10 17.063 0.463 -3.788 1.00 0.00 H new ATOM 0 H22 G B 10 16.511 0.630 -2.118 1.00 0.00 H new ATOM 324 P C B 11 19.733 -1.141 -7.819 1.00 0.00 P ATOM 325 OP1 C B 11 20.406 -2.026 -8.803 1.00 0.00 O ATOM 326 OP2 C B 11 18.444 -0.496 -8.175 1.00 0.00 O ATOM 327 O5' C B 11 19.525 -1.962 -6.469 1.00 0.00 O ATOM 328 C5' C B 11 19.547 -3.388 -6.467 1.00 0.00 C ATOM 329 C4' C B 11 18.776 -3.920 -5.283 1.00 0.00 C ATOM 330 O4' C B 11 19.499 -3.575 -4.066 1.00 0.00 O ATOM 331 C3' C B 11 17.376 -3.337 -5.103 1.00 0.00 C ATOM 332 O3' C B 11 16.467 -4.293 -4.563 1.00 0.00 O ATOM 333 C2' C B 11 17.618 -2.185 -4.136 1.00 0.00 C ATOM 334 O2' C B 11 16.460 -1.896 -3.376 1.00 0.00 O ATOM 335 C1' C B 11 18.663 -2.813 -3.222 1.00 0.00 C ATOM 336 N1 C B 11 19.497 -1.856 -2.478 1.00 0.00 N ATOM 337 C2 C B 11 19.209 -1.628 -1.132 1.00 0.00 C ATOM 338 O2 C B 11 18.255 -2.225 -0.617 1.00 0.00 O ATOM 339 N3 C B 11 19.974 -0.767 -0.426 1.00 0.00 N ATOM 340 C4 C B 11 20.996 -0.148 -1.018 1.00 0.00 C ATOM 341 N4 C B 11 21.728 0.686 -0.282 1.00 0.00 N ATOM 342 C5 C B 11 21.312 -0.357 -2.391 1.00 0.00 C ATOM 343 C6 C B 11 20.538 -1.207 -3.080 1.00 0.00 C ATOM 0 H5' C B 11 20.577 -3.743 -6.429 1.00 0.00 H new ATOM 0 H5'' C B 11 19.113 -3.767 -7.392 1.00 0.00 H new ATOM 0 H4' C B 11 18.677 -4.989 -5.469 1.00 0.00 H new ATOM 0 H3' C B 11 16.917 -3.027 -6.042 1.00 0.00 H new ATOM 0 H2' C B 11 17.900 -1.251 -4.622 1.00 0.00 H new ATOM 0 HO2' C B 11 15.892 -2.693 -3.330 1.00 0.00 H new ATOM 0 H1' C B 11 18.141 -3.390 -2.458 1.00 0.00 H new ATOM 0 H41 C B 11 22.518 1.177 -0.701 1.00 0.00 H new ATOM 0 H42 C B 11 21.499 0.834 0.701 1.00 0.00 H new ATOM 0 H5 C B 11 22.143 0.150 -2.859 1.00 0.00 H new ATOM 0 H6 C B 11 20.740 -1.382 -4.126 1.00 0.00 H new ATOM 355 P G B 12 15.820 -5.414 -5.519 1.00 0.00 P ATOM 356 OP1 G B 12 15.386 -4.739 -6.768 1.00 0.00 O ATOM 357 OP2 G B 12 14.834 -6.190 -4.725 1.00 0.00 O ATOM 358 O5' G B 12 17.042 -6.374 -5.870 1.00 0.00 O ATOM 359 C5' G B 12 17.744 -7.075 -4.845 1.00 0.00 C ATOM 360 C4' G B 12 19.053 -7.602 -5.384 1.00 0.00 C ATOM 361 O4' G B 12 19.960 -6.493 -5.596 1.00 0.00 O ATOM 362 C3' G B 12 19.822 -8.527 -4.452 1.00 0.00 C ATOM 363 O3' G B 12 19.360 -9.881 -4.526 1.00 0.00 O ATOM 364 C2' G B 12 21.260 -8.387 -4.947 1.00 0.00 C ATOM 365 O2' G B 12 21.501 -9.230 -6.057 1.00 0.00 O ATOM 366 C1' G B 12 21.293 -6.933 -5.427 1.00 0.00 C ATOM 367 N9 G B 12 21.962 -6.023 -4.503 1.00 0.00 N ATOM 368 C8 G B 12 23.192 -5.435 -4.668 1.00 0.00 C ATOM 369 N7 G B 12 23.524 -4.648 -3.682 1.00 0.00 N ATOM 370 C5 G B 12 22.451 -4.728 -2.805 1.00 0.00 C ATOM 371 C6 G B 12 22.239 -4.097 -1.552 1.00 0.00 C ATOM 372 O6 G B 12 22.980 -3.311 -0.950 1.00 0.00 O ATOM 373 N1 G B 12 21.018 -4.461 -0.997 1.00 0.00 N ATOM 374 C2 G B 12 20.115 -5.320 -1.571 1.00 0.00 C ATOM 375 N2 G B 12 18.990 -5.541 -0.881 1.00 0.00 N ATOM 376 N3 G B 12 20.299 -5.916 -2.736 1.00 0.00 N ATOM 377 C4 G B 12 21.480 -5.577 -3.294 1.00 0.00 C ATOM 0 H5' G B 12 17.135 -7.900 -4.474 1.00 0.00 H new ATOM 0 H5'' G B 12 17.930 -6.411 -4.001 1.00 0.00 H new ATOM 0 H4' G B 12 18.765 -8.153 -6.279 1.00 0.00 H new ATOM 0 H3' G B 12 19.701 -8.266 -3.401 1.00 0.00 H new ATOM 0 H2' G B 12 21.997 -8.644 -4.186 1.00 0.00 H new ATOM 0 HO2' G B 12 20.796 -9.909 -6.111 1.00 0.00 H new ATOM 0 HO3' G B 12 19.883 -10.439 -3.913 1.00 0.00 H new ATOM 0 H1' G B 12 21.862 -6.917 -6.357 1.00 0.00 H new ATOM 0 H8 G B 12 23.822 -5.607 -5.528 1.00 0.00 H new ATOM 0 H1 G B 12 20.774 -4.058 -0.092 1.00 0.00 H new ATOM 0 H21 G B 12 18.278 -6.170 -1.254 1.00 0.00 H new ATOM 0 H22 G B 12 18.844 -5.081 0.017 1.00 0.00 H new TER 390 G B 12