USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 152 hydrogens (56 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: B 6 DT O3' : rot 180:sc= 0 USER MOD Set 1.2: C 7 MCY O5' : rot 180:sc= 0 USER MOD Single : A 1 MCY O5' : rot 180:sc= -0.456 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 3 DT O3' : rot 180:sc= 0 USER MOD Single : B 4 MCY O5' : rot 180:sc= -0.257 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 9 DT O3' : rot 180:sc= 0 USER MOD Single : D 10 MCY O5' : rot 180:sc=-0.00346 USER MOD Single : D 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 2.872 -4.660 1.804 1.00 0.00 N HETATM 2 C2 MCY A 1 1.935 -4.698 0.801 1.00 0.00 C HETATM 3 N3 MCY A 1 0.633 -4.796 1.165 1.00 0.00 N HETATM 4 C4 MCY A 1 0.264 -4.858 2.454 1.00 0.00 C HETATM 5 C5 MCY A 1 1.198 -4.822 3.428 1.00 0.00 C HETATM 6 C6 MCY A 1 2.494 -4.720 3.099 1.00 0.00 C HETATM 7 O2 MCY A 1 2.280 -4.654 -0.377 1.00 0.00 O HETATM 8 N4 MCY A 1 -1.029 -4.959 2.763 1.00 0.00 N HETATM 9 C1' MCY A 1 4.295 -4.575 1.423 1.00 0.00 C HETATM 10 C2' MCY A 1 5.046 -3.594 2.314 1.00 0.00 C HETATM 11 C3' MCY A 1 6.087 -4.393 3.060 1.00 0.00 C HETATM 12 C4' MCY A 1 5.987 -5.817 2.530 1.00 0.00 C HETATM 13 O4' MCY A 1 4.927 -5.865 1.551 1.00 0.00 O HETATM 14 O3' MCY A 1 7.401 -3.865 2.842 1.00 0.00 O HETATM 15 C5' MCY A 1 5.714 -6.801 3.665 1.00 0.00 C HETATM 16 O5' MCY A 1 4.420 -6.597 4.237 1.00 0.00 O HETATM 17 C5A MCY A 1 0.788 -4.920 4.896 1.00 0.00 C HETATM 0 HO5' MCY A 1 4.276 -7.244 4.959 1.00 0.00 H new HETATM 0 HN42 MCY A 1 -1.318 -5.007 3.740 1.00 0.00 H new HETATM 0 HN41 MCY A 1 -1.730 -4.989 2.022 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 0.123 -4.093 5.144 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 0.272 -5.864 5.067 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 1.676 -4.873 5.526 1.00 0.00 H new HETATM 0 H5'' MCY A 1 5.790 -7.821 3.289 1.00 0.00 H new HETATM 0 H2'' MCY A 1 5.514 -2.810 1.718 1.00 0.00 H new HETATM 0 H6 MCY A 1 3.249 -4.685 3.884 1.00 0.00 H new HETATM 0 H5' MCY A 1 6.476 -6.688 4.437 1.00 0.00 H new HETATM 0 H4' MCY A 1 6.932 -6.104 2.069 1.00 0.00 H new HETATM 0 H3' MCY A 1 5.912 -4.353 4.135 1.00 0.00 H new HETATM 0 H2' MCY A 1 4.365 -3.103 3.009 1.00 0.00 H new HETATM 0 H1' MCY A 1 4.332 -4.233 0.389 1.00 0.00 H new ATOM 32 P DC A 2 7.827 -2.437 3.454 1.00 0.00 P ATOM 33 OP1 DC A 2 9.303 -2.342 3.420 1.00 0.00 O ATOM 34 OP2 DC A 2 7.104 -2.244 4.732 1.00 0.00 O ATOM 35 O5' DC A 2 7.230 -1.409 2.368 1.00 0.00 O ATOM 36 C5' DC A 2 6.353 -0.350 2.759 1.00 0.00 C ATOM 37 C4' DC A 2 6.254 0.712 1.669 1.00 0.00 C ATOM 38 O4' DC A 2 4.963 0.668 1.022 1.00 0.00 O ATOM 39 C3' DC A 2 6.452 2.107 2.241 1.00 0.00 C ATOM 40 O3' DC A 2 7.715 2.647 1.840 1.00 0.00 O ATOM 41 C2' DC A 2 5.313 2.937 1.711 1.00 0.00 C ATOM 42 C1' DC A 2 4.371 1.983 0.987 1.00 0.00 C ATOM 43 N1 DC A 2 3.013 1.957 1.587 1.00 0.00 N ATOM 44 C2 DC A 2 1.965 1.654 0.722 1.00 0.00 C ATOM 45 O2 DC A 2 2.146 1.431 -0.473 1.00 0.00 O ATOM 46 N3 DC A 2 0.707 1.617 1.284 1.00 0.00 N ATOM 47 C4 DC A 2 0.473 1.858 2.604 1.00 0.00 C ATOM 48 N4 DC A 2 -0.783 1.746 3.045 1.00 0.00 N ATOM 49 C5 DC A 2 1.552 2.169 3.475 1.00 0.00 C ATOM 50 C6 DC A 2 2.801 2.206 2.934 1.00 0.00 C ATOM 0 H5' DC A 2 6.715 0.104 3.682 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.362 -0.753 2.969 1.00 0.00 H new ATOM 0 H4' DC A 2 7.040 0.498 0.945 1.00 0.00 H new ATOM 0 H3' DC A 2 6.456 2.095 3.331 1.00 0.00 H new ATOM 0 H2' DC A 2 4.796 3.448 2.524 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.679 3.707 1.032 1.00 0.00 H new ATOM 0 H1' DC A 2 4.241 2.327 -0.039 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.996 1.919 4.027 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.529 1.487 2.399 1.00 0.00 H new ATOM 0 H5 DC A 2 1.388 2.368 4.524 1.00 0.00 H new ATOM 0 H6 DC A 2 3.645 2.434 3.568 1.00 0.00 H new ATOM 62 P DT A 3 8.372 3.883 2.637 1.00 0.00 P ATOM 63 OP1 DT A 3 9.840 3.817 2.461 1.00 0.00 O ATOM 64 OP2 DT A 3 7.793 3.918 4.000 1.00 0.00 O ATOM 65 O5' DT A 3 7.823 5.155 1.814 1.00 0.00 O ATOM 66 C5' DT A 3 6.865 6.048 2.392 1.00 0.00 C ATOM 67 C4' DT A 3 6.166 6.882 1.318 1.00 0.00 C ATOM 68 O4' DT A 3 4.734 6.701 1.367 1.00 0.00 O ATOM 69 C3' DT A 3 6.459 8.367 1.491 1.00 0.00 C ATOM 70 O3' DT A 3 7.365 8.829 0.485 1.00 0.00 O ATOM 71 C2' DT A 3 5.128 9.066 1.381 1.00 0.00 C ATOM 72 C1' DT A 3 4.067 7.980 1.281 1.00 0.00 C ATOM 73 N1 DT A 3 3.051 8.121 2.350 1.00 0.00 N ATOM 74 C2 DT A 3 1.720 8.034 1.980 1.00 0.00 C ATOM 75 O2 DT A 3 1.374 7.845 0.816 1.00 0.00 O ATOM 76 N3 DT A 3 0.795 8.168 2.999 1.00 0.00 N ATOM 77 C4 DT A 3 1.079 8.377 4.336 1.00 0.00 C ATOM 78 O4 DT A 3 0.172 8.478 5.160 1.00 0.00 O ATOM 79 C5 DT A 3 2.493 8.454 4.631 1.00 0.00 C ATOM 80 C7 DT A 3 2.948 8.685 6.070 1.00 0.00 C ATOM 81 C6 DT A 3 3.416 8.328 3.655 1.00 0.00 C ATOM 0 H5' DT A 3 7.362 6.709 3.102 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.124 5.477 2.952 1.00 0.00 H new ATOM 0 H4' DT A 3 6.552 6.539 0.358 1.00 0.00 H new ATOM 0 H3' DT A 3 6.935 8.570 2.450 1.00 0.00 H new ATOM 0 H2' DT A 3 4.951 9.700 2.250 1.00 0.00 H new ATOM 0 H2'' DT A 3 5.103 9.713 0.504 1.00 0.00 H new ATOM 0 HO3' DT A 3 7.538 9.785 0.614 1.00 0.00 H new ATOM 0 H1' DT A 3 3.537 8.065 0.332 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.190 8.107 2.740 1.00 0.00 H new ATOM 0 H71 DT A 3 3.917 8.211 6.226 1.00 0.00 H new ATOM 0 H72 DT A 3 3.034 9.755 6.257 1.00 0.00 H new ATOM 0 H73 DT A 3 2.219 8.254 6.756 1.00 0.00 H new ATOM 0 H6 DT A 3 4.464 8.392 3.907 1.00 0.00 H new TER 95 DT A 3 HETATM 96 N1 MCY B 4 -2.321 4.980 1.950 1.00 0.00 N HETATM 97 C2 MCY B 4 -1.425 5.078 0.912 1.00 0.00 C HETATM 98 N3 MCY B 4 -0.108 5.170 1.230 1.00 0.00 N HETATM 99 C4 MCY B 4 0.309 5.170 2.508 1.00 0.00 C HETATM 100 C5 MCY B 4 -0.586 5.079 3.514 1.00 0.00 C HETATM 101 C6 MCY B 4 -1.892 4.981 3.231 1.00 0.00 C HETATM 102 O2 MCY B 4 -1.816 5.088 -0.253 1.00 0.00 O HETATM 103 N4 MCY B 4 1.611 5.259 2.773 1.00 0.00 N HETATM 104 C1' MCY B 4 -3.755 4.864 1.620 1.00 0.00 C HETATM 105 C2' MCY B 4 -4.454 3.872 2.542 1.00 0.00 C HETATM 106 C3' MCY B 4 -5.579 4.622 3.208 1.00 0.00 C HETATM 107 C4' MCY B 4 -5.627 5.987 2.531 1.00 0.00 C HETATM 108 O4' MCY B 4 -4.422 6.137 1.752 1.00 0.00 O HETATM 109 O3' MCY B 4 -6.823 3.926 3.057 1.00 0.00 O HETATM 110 C5' MCY B 4 -5.761 7.114 3.555 1.00 0.00 C HETATM 111 O5' MCY B 4 -6.325 6.646 4.783 1.00 0.00 O HETATM 112 C5A MCY B 4 -0.121 5.101 4.971 1.00 0.00 C HETATM 0 HO5' MCY B 4 -6.395 7.391 5.416 1.00 0.00 H new HETATM 0 HN42 MCY B 4 1.936 5.260 3.740 1.00 0.00 H new HETATM 0 HN41 MCY B 4 2.283 5.327 2.009 1.00 0.00 H new HETATM 0 H5A3 MCY B 4 0.554 4.264 5.150 1.00 0.00 H new HETATM 0 H5A2 MCY B 4 0.400 6.037 5.173 1.00 0.00 H new HETATM 0 H5A1 MCY B 4 -0.985 5.017 5.630 1.00 0.00 H new HETATM 0 H5'' MCY B 4 -4.781 7.550 3.747 1.00 0.00 H new HETATM 0 H2'' MCY B 4 -4.836 3.021 1.978 1.00 0.00 H new HETATM 0 H6 MCY B 4 -2.615 4.901 4.042 1.00 0.00 H new HETATM 0 H5' MCY B 4 -6.387 7.906 3.145 1.00 0.00 H new HETATM 0 H4' MCY B 4 -6.503 6.048 1.885 1.00 0.00 H new HETATM 0 H3' MCY B 4 -5.413 4.717 4.281 1.00 0.00 H new HETATM 0 H2' MCY B 4 -3.760 3.477 3.283 1.00 0.00 H new HETATM 0 H1' MCY B 4 -3.812 4.517 0.588 1.00 0.00 H new ATOM 127 P DC B 5 -7.194 2.684 4.017 1.00 0.00 P ATOM 128 OP1 DC B 5 -8.626 2.789 4.374 1.00 0.00 O ATOM 129 OP2 DC B 5 -6.174 2.599 5.088 1.00 0.00 O ATOM 130 O5' DC B 5 -7.012 1.416 3.038 1.00 0.00 O ATOM 131 C5' DC B 5 -5.915 0.509 3.201 1.00 0.00 C ATOM 132 C4' DC B 5 -5.853 -0.500 2.055 1.00 0.00 C ATOM 133 O4' DC B 5 -4.590 -0.410 1.364 1.00 0.00 O ATOM 134 C3' DC B 5 -6.023 -1.930 2.559 1.00 0.00 C ATOM 135 O3' DC B 5 -7.276 -2.471 2.117 1.00 0.00 O ATOM 136 C2' DC B 5 -4.865 -2.709 1.991 1.00 0.00 C ATOM 137 C1' DC B 5 -3.971 -1.707 1.277 1.00 0.00 C ATOM 138 N1 DC B 5 -2.602 -1.659 1.820 1.00 0.00 N ATOM 139 C2 DC B 5 -1.622 -1.248 0.928 1.00 0.00 C ATOM 140 O2 DC B 5 -1.888 -0.936 -0.234 1.00 0.00 O ATOM 141 N3 DC B 5 -0.338 -1.217 1.414 1.00 0.00 N ATOM 142 C4 DC B 5 -0.015 -1.568 2.687 1.00 0.00 C ATOM 143 N4 DC B 5 1.269 -1.478 3.042 1.00 0.00 N ATOM 144 C5 DC B 5 -1.032 -1.987 3.594 1.00 0.00 C ATOM 145 C6 DC B 5 -2.312 -2.016 3.120 1.00 0.00 C ATOM 0 H5' DC B 5 -6.016 -0.020 4.149 1.00 0.00 H new ATOM 0 H5'' DC B 5 -4.981 1.069 3.246 1.00 0.00 H new ATOM 0 H4' DC B 5 -6.670 -0.258 1.376 1.00 0.00 H new ATOM 0 H3' DC B 5 -6.030 -1.976 3.648 1.00 0.00 H new ATOM 0 H2' DC B 5 -4.317 -3.220 2.783 1.00 0.00 H new ATOM 0 H2'' DC B 5 -5.216 -3.475 1.300 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.869 -2.024 0.239 1.00 0.00 H new ATOM 0 H41 DC B 5 1.556 -1.731 3.988 1.00 0.00 H new ATOM 0 H42 DC B 5 1.963 -1.156 2.368 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.800 -2.269 4.610 1.00 0.00 H new ATOM 0 H6 DC B 5 -3.113 -2.324 3.776 1.00 0.00 H new ATOM 157 P DT B 6 -7.833 -3.872 2.688 1.00 0.00 P ATOM 158 OP1 DT B 6 -8.948 -4.311 1.819 1.00 0.00 O ATOM 159 OP2 DT B 6 -8.048 -3.725 4.146 1.00 0.00 O ATOM 160 O5' DT B 6 -6.591 -4.872 2.457 1.00 0.00 O ATOM 161 C5' DT B 6 -6.786 -6.289 2.431 1.00 0.00 C ATOM 162 C4' DT B 6 -5.999 -6.941 1.294 1.00 0.00 C ATOM 163 O4' DT B 6 -4.578 -6.727 1.448 1.00 0.00 O ATOM 164 C3' DT B 6 -6.239 -8.444 1.243 1.00 0.00 C ATOM 165 O3' DT B 6 -7.146 -8.789 0.189 1.00 0.00 O ATOM 166 C2' DT B 6 -4.884 -9.066 1.018 1.00 0.00 C ATOM 167 C1' DT B 6 -3.858 -7.947 1.160 1.00 0.00 C ATOM 168 N1 DT B 6 -2.861 -8.241 2.223 1.00 0.00 N ATOM 169 C2 DT B 6 -1.570 -7.775 2.024 1.00 0.00 C ATOM 170 O2 DT B 6 -1.246 -7.152 1.016 1.00 0.00 O ATOM 171 N3 DT B 6 -0.661 -8.052 3.030 1.00 0.00 N ATOM 172 C4 DT B 6 -0.922 -8.743 4.199 1.00 0.00 C ATOM 173 O4 DT B 6 -0.033 -8.928 5.027 1.00 0.00 O ATOM 174 C5 DT B 6 -2.290 -9.193 4.323 1.00 0.00 C ATOM 175 C7 DT B 6 -2.714 -9.974 5.564 1.00 0.00 C ATOM 176 C6 DT B 6 -3.198 -8.937 3.359 1.00 0.00 C ATOM 0 H5' DT B 6 -7.847 -6.509 2.314 1.00 0.00 H new ATOM 0 H5'' DT B 6 -6.475 -6.718 3.383 1.00 0.00 H new ATOM 0 H4' DT B 6 -6.350 -6.476 0.373 1.00 0.00 H new ATOM 0 H3' DT B 6 -6.697 -8.805 2.164 1.00 0.00 H new ATOM 0 H2' DT B 6 -4.696 -9.857 1.744 1.00 0.00 H new ATOM 0 H2'' DT B 6 -4.826 -9.520 0.029 1.00 0.00 H new ATOM 0 HO3' DT B 6 -7.281 -9.760 0.178 1.00 0.00 H new ATOM 0 H1' DT B 6 -3.293 -7.848 0.233 1.00 0.00 H new ATOM 0 H3 DT B 6 0.292 -7.714 2.897 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.766 -9.781 5.773 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.568 -11.040 5.390 1.00 0.00 H new ATOM 0 H73 DT B 6 -2.111 -9.659 6.416 1.00 0.00 H new ATOM 0 H6 DT B 6 -4.212 -9.287 3.483 1.00 0.00 H new TER 190 DT B 6 HETATM 191 N1 MCY C 7 -3.179 -4.424 -1.727 1.00 0.00 N HETATM 192 C2 MCY C 7 -2.357 -4.522 -0.622 1.00 0.00 C HETATM 193 N3 MCY C 7 -1.072 -4.904 -0.835 1.00 0.00 N HETATM 194 C4 MCY C 7 -0.611 -5.179 -2.068 1.00 0.00 C HETATM 195 C5 MCY C 7 -1.431 -5.083 -3.131 1.00 0.00 C HETATM 196 C6 MCY C 7 -2.704 -4.713 -2.956 1.00 0.00 C HETATM 197 O2 MCY C 7 -2.782 -4.291 0.509 1.00 0.00 O HETATM 198 N4 MCY C 7 0.659 -5.548 -2.233 1.00 0.00 N HETATM 199 C1' MCY C 7 -4.567 -3.943 -1.549 1.00 0.00 C HETATM 200 C2' MCY C 7 -5.037 -3.165 -2.787 1.00 0.00 C HETATM 201 C3' MCY C 7 -6.303 -3.826 -3.257 1.00 0.00 C HETATM 202 C4' MCY C 7 -6.560 -4.988 -2.299 1.00 0.00 C HETATM 203 O4' MCY C 7 -5.469 -5.052 -1.356 1.00 0.00 O HETATM 204 O3' MCY C 7 -7.402 -2.898 -3.262 1.00 0.00 O HETATM 205 C5' MCY C 7 -6.695 -6.311 -3.054 1.00 0.00 C HETATM 206 O5' MCY C 7 -7.863 -7.026 -2.647 1.00 0.00 O HETATM 207 C5A MCY C 7 -0.905 -5.353 -4.537 1.00 0.00 C HETATM 0 HO5' MCY C 7 -7.923 -7.866 -3.148 1.00 0.00 H new HETATM 0 HN42 MCY C 7 1.012 -5.757 -3.167 1.00 0.00 H new HETATM 0 HN41 MCY C 7 1.278 -5.621 -1.426 1.00 0.00 H new HETATM 0 H5A3 MCY C 7 -0.101 -4.653 -4.765 1.00 0.00 H new HETATM 0 H5A2 MCY C 7 -0.525 -6.373 -4.594 1.00 0.00 H new HETATM 0 H5A1 MCY C 7 -1.712 -5.226 -5.258 1.00 0.00 H new HETATM 0 H5'' MCY C 7 -6.740 -6.117 -4.126 1.00 0.00 H new HETATM 0 H2'' MCY C 7 -5.215 -2.118 -2.542 1.00 0.00 H new HETATM 0 H6 MCY C 7 -3.367 -4.644 -3.818 1.00 0.00 H new HETATM 0 H5' MCY C 7 -5.811 -6.924 -2.878 1.00 0.00 H new HETATM 0 H4' MCY C 7 -7.500 -4.821 -1.773 1.00 0.00 H new HETATM 0 H3' MCY C 7 -6.204 -4.181 -4.283 1.00 0.00 H new HETATM 0 H2' MCY C 7 -4.277 -3.185 -3.568 1.00 0.00 H new HETATM 0 H1' MCY C 7 -4.574 -3.294 -0.673 1.00 0.00 H new ATOM 222 P DC C 8 -7.844 -2.094 -1.927 1.00 0.00 P ATOM 223 OP1 DC C 8 -7.889 -3.049 -0.797 1.00 0.00 O ATOM 224 OP2 DC C 8 -9.042 -1.287 -2.254 1.00 0.00 O ATOM 225 O5' DC C 8 -6.609 -1.086 -1.685 1.00 0.00 O ATOM 226 C5' DC C 8 -6.512 0.144 -2.413 1.00 0.00 C ATOM 227 C4' DC C 8 -6.181 1.315 -1.491 1.00 0.00 C ATOM 228 O4' DC C 8 -4.859 1.174 -0.928 1.00 0.00 O ATOM 229 C3' DC C 8 -6.231 2.638 -2.243 1.00 0.00 C ATOM 230 O3' DC C 8 -7.424 3.365 -1.923 1.00 0.00 O ATOM 231 C2' DC C 8 -4.999 3.395 -1.818 1.00 0.00 C ATOM 232 C1' DC C 8 -4.149 2.428 -1.004 1.00 0.00 C ATOM 233 N1 DC C 8 -2.797 2.232 -1.587 1.00 0.00 N ATOM 234 C2 DC C 8 -1.772 1.934 -0.700 1.00 0.00 C ATOM 235 O2 DC C 8 -2.002 1.854 0.508 1.00 0.00 O ATOM 236 N3 DC C 8 -0.522 1.730 -1.199 1.00 0.00 N ATOM 237 C4 DC C 8 -0.279 1.813 -2.511 1.00 0.00 C ATOM 238 N4 DC C 8 0.947 1.553 -2.970 1.00 0.00 N ATOM 239 C5 DC C 8 -1.324 2.126 -3.433 1.00 0.00 C ATOM 240 C6 DC C 8 -2.565 2.325 -2.934 1.00 0.00 C ATOM 0 H5' DC C 8 -7.453 0.339 -2.927 1.00 0.00 H new ATOM 0 H5'' DC C 8 -5.743 0.054 -3.180 1.00 0.00 H new ATOM 0 H4' DC C 8 -6.928 1.310 -0.697 1.00 0.00 H new ATOM 0 H3' DC C 8 -6.250 2.486 -3.322 1.00 0.00 H new ATOM 0 H2' DC C 8 -4.449 3.757 -2.686 1.00 0.00 H new ATOM 0 H2'' DC C 8 -5.267 4.269 -1.224 1.00 0.00 H new ATOM 0 H1' DC C 8 -3.990 2.845 -0.009 1.00 0.00 H new ATOM 0 H41 DC C 8 1.141 1.614 -3.970 1.00 0.00 H new ATOM 0 H42 DC C 8 1.690 1.293 -2.321 1.00 0.00 H new ATOM 0 H5 DC C 8 -1.130 2.201 -4.493 1.00 0.00 H new ATOM 0 H6 DC C 8 -3.380 2.559 -3.603 1.00 0.00 H new ATOM 252 P DT C 9 -7.773 4.749 -2.672 1.00 0.00 P ATOM 253 OP1 DT C 9 -9.228 4.988 -2.547 1.00 0.00 O ATOM 254 OP2 DT C 9 -7.143 4.726 -4.013 1.00 0.00 O ATOM 255 O5' DT C 9 -7.005 5.838 -1.765 1.00 0.00 O ATOM 256 C5' DT C 9 -6.029 6.712 -2.340 1.00 0.00 C ATOM 257 C4' DT C 9 -5.143 7.341 -1.263 1.00 0.00 C ATOM 258 O4' DT C 9 -3.752 7.016 -1.481 1.00 0.00 O ATOM 259 C3' DT C 9 -5.275 8.859 -1.248 1.00 0.00 C ATOM 260 O3' DT C 9 -6.006 9.293 -0.097 1.00 0.00 O ATOM 261 C2' DT C 9 -3.867 9.398 -1.228 1.00 0.00 C ATOM 262 C1' DT C 9 -2.935 8.202 -1.362 1.00 0.00 C ATOM 263 N1 DT C 9 -2.038 8.343 -2.533 1.00 0.00 N ATOM 264 C2 DT C 9 -0.698 8.055 -2.344 1.00 0.00 C ATOM 265 O2 DT C 9 -0.249 7.721 -1.250 1.00 0.00 O ATOM 266 N3 DT C 9 0.112 8.163 -3.458 1.00 0.00 N ATOM 267 C4 DT C 9 -0.294 8.531 -4.728 1.00 0.00 C ATOM 268 O4 DT C 9 0.517 8.592 -5.651 1.00 0.00 O ATOM 269 C5 DT C 9 -1.708 8.816 -4.835 1.00 0.00 C ATOM 270 C7 DT C 9 -2.292 9.225 -6.185 1.00 0.00 C ATOM 271 C6 DT C 9 -2.520 8.719 -3.762 1.00 0.00 C ATOM 0 H5' DT C 9 -6.530 7.497 -2.906 1.00 0.00 H new ATOM 0 H5'' DT C 9 -5.410 6.156 -3.044 1.00 0.00 H new ATOM 0 H4' DT C 9 -5.478 6.934 -0.309 1.00 0.00 H new ATOM 0 H3' DT C 9 -5.824 9.220 -2.118 1.00 0.00 H new ATOM 0 H2' DT C 9 -3.711 10.103 -2.045 1.00 0.00 H new ATOM 0 H2'' DT C 9 -3.673 9.937 -0.301 1.00 0.00 H new ATOM 0 HO3' DT C 9 -6.078 10.270 -0.105 1.00 0.00 H new ATOM 0 H1' DT C 9 -2.294 8.135 -0.483 1.00 0.00 H new ATOM 0 H3 DT C 9 1.102 7.952 -3.332 1.00 0.00 H new ATOM 0 H71 DT C 9 -3.329 8.896 -6.248 1.00 0.00 H new ATOM 0 H72 DT C 9 -2.249 10.309 -6.287 1.00 0.00 H new ATOM 0 H73 DT C 9 -1.715 8.762 -6.986 1.00 0.00 H new ATOM 0 H6 DT C 9 -3.571 8.942 -3.872 1.00 0.00 H new TER 285 DT C 9 HETATM 286 N1 MCY D 10 2.855 4.598 -2.080 1.00 0.00 N HETATM 287 C2 MCY D 10 1.985 4.839 -1.042 1.00 0.00 C HETATM 288 N3 MCY D 10 0.682 5.055 -1.356 1.00 0.00 N HETATM 289 C4 MCY D 10 0.252 5.037 -2.631 1.00 0.00 C HETATM 290 C5 MCY D 10 1.120 4.799 -3.636 1.00 0.00 C HETATM 291 C6 MCY D 10 2.410 4.578 -3.357 1.00 0.00 C HETATM 292 O2 MCY D 10 2.389 4.863 0.121 1.00 0.00 O HETATM 293 N4 MCY D 10 -1.033 5.264 -2.897 1.00 0.00 N HETATM 294 C1' MCY D 10 4.281 4.390 -1.764 1.00 0.00 C HETATM 295 C2' MCY D 10 4.905 3.343 -2.678 1.00 0.00 C HETATM 296 C3' MCY D 10 5.996 4.037 -3.457 1.00 0.00 C HETATM 297 C4' MCY D 10 6.051 5.465 -2.927 1.00 0.00 C HETATM 298 O4' MCY D 10 5.016 5.621 -1.931 1.00 0.00 O HETATM 299 O3' MCY D 10 7.257 3.382 -3.274 1.00 0.00 O HETATM 300 C5' MCY D 10 5.867 6.474 -4.059 1.00 0.00 C HETATM 301 O5' MCY D 10 4.509 6.527 -4.503 1.00 0.00 O HETATM 302 C5A MCY D 10 0.640 4.798 -5.087 1.00 0.00 C HETATM 0 HO5' MCY D 10 4.427 7.183 -5.226 1.00 0.00 H new HETATM 0 HN42 MCY D 10 -1.364 5.252 -3.862 1.00 0.00 H new HETATM 0 HN41 MCY D 10 -1.686 5.450 -2.136 1.00 0.00 H new HETATM 0 H5A3 MCY D 10 -0.124 4.032 -5.217 1.00 0.00 H new HETATM 0 H5A2 MCY D 10 0.220 5.774 -5.332 1.00 0.00 H new HETATM 0 H5A1 MCY D 10 1.481 4.588 -5.748 1.00 0.00 H new HETATM 0 H5'' MCY D 10 6.178 7.462 -3.720 1.00 0.00 H new HETATM 0 H2'' MCY D 10 5.312 2.516 -2.097 1.00 0.00 H new HETATM 0 H6 MCY D 10 3.110 4.380 -4.168 1.00 0.00 H new HETATM 0 H5' MCY D 10 6.513 6.206 -4.895 1.00 0.00 H new HETATM 0 H4' MCY D 10 7.027 5.653 -2.480 1.00 0.00 H new HETATM 0 H3' MCY D 10 5.787 4.015 -4.527 1.00 0.00 H new HETATM 0 H2' MCY D 10 4.158 2.923 -3.351 1.00 0.00 H new HETATM 0 H1' MCY D 10 4.334 4.049 -0.730 1.00 0.00 H new ATOM 317 P DC D 11 7.521 1.916 -3.889 1.00 0.00 P ATOM 318 OP1 DC D 11 8.972 1.637 -3.814 1.00 0.00 O ATOM 319 OP2 DC D 11 6.818 1.824 -5.190 1.00 0.00 O ATOM 320 O5' DC D 11 6.768 0.957 -2.837 1.00 0.00 O ATOM 321 C5' DC D 11 5.990 -0.156 -3.286 1.00 0.00 C ATOM 322 C4' DC D 11 5.853 -1.211 -2.193 1.00 0.00 C ATOM 323 O4' DC D 11 4.617 -1.043 -1.466 1.00 0.00 O ATOM 324 C3' DC D 11 5.873 -2.617 -2.778 1.00 0.00 C ATOM 325 O3' DC D 11 7.108 -3.276 -2.471 1.00 0.00 O ATOM 326 C2' DC D 11 4.703 -3.337 -2.158 1.00 0.00 C ATOM 327 C1' DC D 11 3.930 -2.305 -1.346 1.00 0.00 C ATOM 328 N1 DC D 11 2.525 -2.179 -1.796 1.00 0.00 N ATOM 329 C2 DC D 11 1.583 -1.871 -0.831 1.00 0.00 C ATOM 330 O2 DC D 11 1.929 -1.715 0.346 1.00 0.00 O ATOM 331 N3 DC D 11 0.283 -1.736 -1.216 1.00 0.00 N ATOM 332 C4 DC D 11 -0.081 -1.893 -2.495 1.00 0.00 C ATOM 333 N4 DC D 11 -1.359 -1.705 -2.849 1.00 0.00 N ATOM 334 C5 DC D 11 0.889 -2.214 -3.496 1.00 0.00 C ATOM 335 C6 DC D 11 2.174 -2.348 -3.104 1.00 0.00 C ATOM 0 H5' DC D 11 6.458 -0.599 -4.165 1.00 0.00 H new ATOM 0 H5'' DC D 11 5.001 0.187 -3.590 1.00 0.00 H new ATOM 0 H4' DC D 11 6.701 -1.081 -1.521 1.00 0.00 H new ATOM 0 H3' DC D 11 5.795 -2.602 -3.865 1.00 0.00 H new ATOM 0 H2' DC D 11 4.069 -3.777 -2.927 1.00 0.00 H new ATOM 0 H2'' DC D 11 5.045 -4.153 -1.521 1.00 0.00 H new ATOM 0 H1' DC D 11 3.891 -2.625 -0.305 1.00 0.00 H new ATOM 0 H41 DC D 11 -1.641 -1.823 -3.822 1.00 0.00 H new ATOM 0 H42 DC D 11 -2.050 -1.444 -2.146 1.00 0.00 H new ATOM 0 H5 DC D 11 0.603 -2.345 -4.529 1.00 0.00 H new ATOM 0 H6 DC D 11 2.932 -2.592 -3.833 1.00 0.00 H new ATOM 347 P DT D 12 7.472 -4.704 -3.125 1.00 0.00 P ATOM 348 OP1 DT D 12 8.923 -4.933 -2.951 1.00 0.00 O ATOM 349 OP2 DT D 12 6.872 -4.764 -4.477 1.00 0.00 O ATOM 350 O5' DT D 12 6.683 -5.734 -2.170 1.00 0.00 O ATOM 351 C5' DT D 12 5.730 -6.653 -2.710 1.00 0.00 C ATOM 352 C4' DT D 12 5.000 -7.411 -1.600 1.00 0.00 C ATOM 353 O4' DT D 12 3.574 -7.198 -1.674 1.00 0.00 O ATOM 354 C3' DT D 12 5.255 -8.909 -1.690 1.00 0.00 C ATOM 355 O3' DT D 12 6.161 -9.337 -0.668 1.00 0.00 O ATOM 356 C2' DT D 12 3.909 -9.567 -1.527 1.00 0.00 C ATOM 357 C1' DT D 12 2.874 -8.451 -1.506 1.00 0.00 C ATOM 358 N1 DT D 12 1.860 -8.637 -2.571 1.00 0.00 N ATOM 359 C2 DT D 12 0.528 -8.522 -2.208 1.00 0.00 C ATOM 360 O2 DT D 12 0.180 -8.297 -1.051 1.00 0.00 O ATOM 361 N3 DT D 12 -0.394 -8.679 -3.225 1.00 0.00 N ATOM 362 C4 DT D 12 -0.107 -8.937 -4.554 1.00 0.00 C ATOM 363 O4 DT D 12 -1.012 -9.051 -5.378 1.00 0.00 O ATOM 364 C5 DT D 12 1.306 -9.043 -4.841 1.00 0.00 C ATOM 365 C7 DT D 12 1.763 -9.327 -6.270 1.00 0.00 C ATOM 366 C6 DT D 12 2.227 -8.895 -3.867 1.00 0.00 C ATOM 0 H5' DT D 12 6.236 -7.362 -3.366 1.00 0.00 H new ATOM 0 H5'' DT D 12 5.007 -6.113 -3.321 1.00 0.00 H new ATOM 0 H4' DT D 12 5.387 -7.026 -0.656 1.00 0.00 H new ATOM 0 H3' DT D 12 5.716 -9.177 -2.641 1.00 0.00 H new ATOM 0 H2' DT D 12 3.715 -10.259 -2.347 1.00 0.00 H new ATOM 0 H2'' DT D 12 3.871 -10.147 -0.605 1.00 0.00 H new ATOM 0 HO3' DT D 12 6.308 -10.303 -0.745 1.00 0.00 H new ATOM 0 H1' DT D 12 2.337 -8.460 -0.557 1.00 0.00 H new ATOM 0 H3 DT D 12 -1.379 -8.597 -2.972 1.00 0.00 H new ATOM 0 H71 DT D 12 2.739 -8.871 -6.437 1.00 0.00 H new ATOM 0 H72 DT D 12 1.834 -10.404 -6.422 1.00 0.00 H new ATOM 0 H73 DT D 12 1.042 -8.909 -6.972 1.00 0.00 H new ATOM 0 H6 DT D 12 3.275 -8.981 -4.113 1.00 0.00 H new TER 380 DT D 12