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 24:sc= 0.0282 USER MOD Single : A 2 A O2' : rot 180:sc= 0 USER MOD Single : A 3 G O2' : rot -17:sc= 0.0114 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -21:sc= 0.0556 USER MOD Single : A 6 C O2' : rot -15:sc= 0.0648 USER MOD Single : A 7 A O2' : rot 140:sc= 0.0625 USER MOD Single : A 8 U O2' : rot 10:sc= 0.113 USER MOD Single : A 9 A O2' : rot 107:sc= 0.396 USER MOD Single : A 10 G O2' : rot 22:sc= 0.0965 USER MOD Single : A 11 A O2' : rot 10:sc= 0.114 USER MOD Single : A 12 U O2' : rot 180:sc= 0 USER MOD Single : A 13 C O2' : rot -120:sc=0.000544 USER MOD Single : A 14 U O2' : rot -122:sc= 0.0239 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -20:sc= 0.0154 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0177 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.719 -2.526 10.007 1.00 0.00 O ATOM 2 C5' G A 1 -11.492 -3.846 9.553 1.00 0.00 C ATOM 3 C4' G A 1 -10.386 -4.535 10.368 1.00 0.00 C ATOM 4 O4' G A 1 -10.256 -5.895 9.966 1.00 0.00 O ATOM 5 C3' G A 1 -8.992 -3.917 10.190 1.00 0.00 C ATOM 6 O3' G A 1 -8.789 -2.767 11.004 1.00 0.00 O ATOM 7 C2' G A 1 -8.098 -5.110 10.540 1.00 0.00 C ATOM 8 O2' G A 1 -7.977 -5.344 11.934 1.00 0.00 O ATOM 9 C1' G A 1 -8.878 -6.255 9.886 1.00 0.00 C ATOM 10 N9 G A 1 -8.459 -6.477 8.472 1.00 0.00 N ATOM 11 C8 G A 1 -9.095 -6.109 7.309 1.00 0.00 C ATOM 12 N7 G A 1 -8.477 -6.465 6.218 1.00 0.00 N ATOM 13 C5 G A 1 -7.342 -7.126 6.673 1.00 0.00 C ATOM 14 C6 G A 1 -6.272 -7.744 5.933 1.00 0.00 C ATOM 15 O6 G A 1 -6.144 -7.814 4.713 1.00 0.00 O ATOM 16 N1 G A 1 -5.289 -8.316 6.759 1.00 0.00 N ATOM 17 C2 G A 1 -5.341 -8.285 8.152 1.00 0.00 C ATOM 18 N2 G A 1 -4.327 -8.869 8.804 1.00 0.00 N ATOM 19 N3 G A 1 -6.349 -7.702 8.845 1.00 0.00 N ATOM 20 C4 G A 1 -7.323 -7.139 8.056 1.00 0.00 C ATOM 0 H5' G A 1 -11.212 -3.827 8.500 1.00 0.00 H new ATOM 0 H5'' G A 1 -12.414 -4.422 9.628 1.00 0.00 H new ATOM 0 H4' G A 1 -10.699 -4.419 11.406 1.00 0.00 H new ATOM 0 H3' G A 1 -8.795 -3.512 9.197 1.00 0.00 H new ATOM 0 H2' G A 1 -7.069 -4.974 10.206 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.396 -6.118 12.087 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.917 -2.194 10.463 1.00 0.00 H new ATOM 0 H1' G A 1 -8.683 -7.196 10.400 1.00 0.00 H new ATOM 0 H8 G A 1 -10.030 -5.569 7.301 1.00 0.00 H new ATOM 0 H1 G A 1 -4.495 -8.778 6.316 1.00 0.00 H new ATOM 0 H21 G A 1 -4.313 -8.876 9.824 1.00 0.00 H new ATOM 0 H22 G A 1 -3.569 -9.306 8.281 1.00 0.00 H new ATOM 33 P A A 2 -7.688 -1.627 10.646 1.00 0.00 P ATOM 34 OP1 A A 2 -7.756 -0.583 11.695 1.00 0.00 O ATOM 35 OP2 A A 2 -7.859 -1.240 9.228 1.00 0.00 O ATOM 36 O5' A A 2 -6.270 -2.400 10.777 1.00 0.00 O ATOM 37 C5' A A 2 -5.728 -2.794 12.029 1.00 0.00 C ATOM 38 C4' A A 2 -4.462 -3.645 11.849 1.00 0.00 C ATOM 39 O4' A A 2 -4.707 -4.837 11.112 1.00 0.00 O ATOM 40 C3' A A 2 -3.336 -2.930 11.096 1.00 0.00 C ATOM 41 O3' A A 2 -2.677 -1.964 11.905 1.00 0.00 O ATOM 42 C2' A A 2 -2.481 -4.128 10.672 1.00 0.00 C ATOM 43 O2' A A 2 -1.661 -4.639 11.711 1.00 0.00 O ATOM 44 C1' A A 2 -3.571 -5.148 10.307 1.00 0.00 C ATOM 45 N9 A A 2 -3.911 -5.097 8.854 1.00 0.00 N ATOM 46 C8 A A 2 -5.018 -4.565 8.233 1.00 0.00 C ATOM 47 N7 A A 2 -5.025 -4.687 6.936 1.00 0.00 N ATOM 48 C5 A A 2 -3.839 -5.356 6.656 1.00 0.00 C ATOM 49 C6 A A 2 -3.232 -5.808 5.445 1.00 0.00 C ATOM 50 N6 A A 2 -3.785 -5.628 4.237 1.00 0.00 N ATOM 51 N1 A A 2 -2.034 -6.447 5.515 1.00 0.00 N ATOM 52 C2 A A 2 -1.468 -6.629 6.718 1.00 0.00 C ATOM 53 N3 A A 2 -1.938 -6.259 7.918 1.00 0.00 N ATOM 54 C4 A A 2 -3.149 -5.613 7.827 1.00 0.00 C ATOM 0 H5' A A 2 -6.473 -3.361 12.587 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.492 -1.909 12.620 1.00 0.00 H new ATOM 0 H4' A A 2 -4.161 -3.855 12.875 1.00 0.00 H new ATOM 0 H3' A A 2 -3.645 -2.315 10.250 1.00 0.00 H new ATOM 0 H2' A A 2 -1.774 -3.880 9.881 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.144 -5.401 11.375 1.00 0.00 H new ATOM 0 H1' A A 2 -3.222 -6.163 10.497 1.00 0.00 H new ATOM 0 H8 A A 2 -5.817 -4.085 8.778 1.00 0.00 H new ATOM 0 H61 A A 2 -3.309 -5.971 3.402 1.00 0.00 H new ATOM 0 H62 A A 2 -4.681 -5.148 4.153 1.00 0.00 H new ATOM 0 H2 A A 2 -0.515 -7.137 6.720 1.00 0.00 H new ATOM 66 P G A 3 -1.905 -0.682 11.278 1.00 0.00 P ATOM 67 OP1 G A 3 -1.425 0.157 12.401 1.00 0.00 O ATOM 68 OP2 G A 3 -2.764 -0.073 10.236 1.00 0.00 O ATOM 69 O5' G A 3 -0.626 -1.342 10.539 1.00 0.00 O ATOM 70 C5' G A 3 0.454 -1.915 11.261 1.00 0.00 C ATOM 71 C4' G A 3 1.466 -2.581 10.318 1.00 0.00 C ATOM 72 O4' G A 3 0.884 -3.644 9.575 1.00 0.00 O ATOM 73 C3' G A 3 2.054 -1.634 9.267 1.00 0.00 C ATOM 74 O3' G A 3 3.017 -0.744 9.821 1.00 0.00 O ATOM 75 C2' G A 3 2.601 -2.649 8.259 1.00 0.00 C ATOM 76 O2' G A 3 3.848 -3.210 8.638 1.00 0.00 O ATOM 77 C1' G A 3 1.501 -3.721 8.292 1.00 0.00 C ATOM 78 N9 G A 3 0.496 -3.531 7.205 1.00 0.00 N ATOM 79 C8 G A 3 -0.803 -3.083 7.281 1.00 0.00 C ATOM 80 N7 G A 3 -1.430 -3.046 6.139 1.00 0.00 N ATOM 81 C5 G A 3 -0.493 -3.507 5.223 1.00 0.00 C ATOM 82 C6 G A 3 -0.602 -3.693 3.798 1.00 0.00 C ATOM 83 O6 G A 3 -1.577 -3.478 3.082 1.00 0.00 O ATOM 84 N1 G A 3 0.581 -4.174 3.213 1.00 0.00 N ATOM 85 C2 G A 3 1.743 -4.450 3.935 1.00 0.00 C ATOM 86 N2 G A 3 2.792 -4.905 3.238 1.00 0.00 N ATOM 87 N3 G A 3 1.838 -4.283 5.276 1.00 0.00 N ATOM 88 C4 G A 3 0.693 -3.809 5.869 1.00 0.00 C ATOM 0 H5' G A 3 0.072 -2.653 11.967 1.00 0.00 H new ATOM 0 H5'' G A 3 0.953 -1.143 11.846 1.00 0.00 H new ATOM 0 H4' G A 3 2.246 -2.928 10.995 1.00 0.00 H new ATOM 0 H3' G A 3 1.355 -0.928 8.818 1.00 0.00 H new ATOM 0 H2' G A 3 2.801 -2.206 7.284 1.00 0.00 H new ATOM 0 HO2' G A 3 4.258 -2.655 9.334 1.00 0.00 H new ATOM 0 H1' G A 3 1.938 -4.705 8.124 1.00 0.00 H new ATOM 0 H8 G A 3 -1.265 -2.786 8.211 1.00 0.00 H new ATOM 0 H1 G A 3 0.591 -4.330 2.205 1.00 0.00 H new ATOM 0 H21 G A 3 3.666 -5.123 3.716 1.00 0.00 H new ATOM 0 H22 G A 3 2.717 -5.034 2.229 1.00 0.00 H new ATOM 100 P G A 4 3.324 0.717 9.182 1.00 0.00 P ATOM 101 OP1 G A 4 4.318 1.394 10.047 1.00 0.00 O ATOM 102 OP2 G A 4 2.036 1.388 8.895 1.00 0.00 O ATOM 103 O5' G A 4 4.025 0.367 7.765 1.00 0.00 O ATOM 104 C5' G A 4 5.335 -0.174 7.678 1.00 0.00 C ATOM 105 C4' G A 4 5.667 -0.605 6.243 1.00 0.00 C ATOM 106 O4' G A 4 4.764 -1.600 5.780 1.00 0.00 O ATOM 107 C3' G A 4 5.588 0.525 5.209 1.00 0.00 C ATOM 108 O3' G A 4 6.716 1.394 5.253 1.00 0.00 O ATOM 109 C2' G A 4 5.456 -0.287 3.919 1.00 0.00 C ATOM 110 O2' G A 4 6.688 -0.796 3.436 1.00 0.00 O ATOM 111 C1' G A 4 4.560 -1.445 4.378 1.00 0.00 C ATOM 112 N9 G A 4 3.127 -1.190 4.060 1.00 0.00 N ATOM 113 C8 G A 4 2.082 -0.865 4.893 1.00 0.00 C ATOM 114 N7 G A 4 0.936 -0.717 4.288 1.00 0.00 N ATOM 115 C5 G A 4 1.224 -0.965 2.951 1.00 0.00 C ATOM 116 C6 G A 4 0.362 -0.958 1.797 1.00 0.00 C ATOM 117 O6 G A 4 -0.843 -0.723 1.759 1.00 0.00 O ATOM 118 N1 G A 4 1.041 -1.253 0.602 1.00 0.00 N ATOM 119 C2 G A 4 2.406 -1.529 0.537 1.00 0.00 C ATOM 120 N2 G A 4 2.915 -1.789 -0.674 1.00 0.00 N ATOM 121 N3 G A 4 3.210 -1.546 1.625 1.00 0.00 N ATOM 122 C4 G A 4 2.568 -1.257 2.804 1.00 0.00 C ATOM 0 H5' G A 4 5.422 -1.031 8.346 1.00 0.00 H new ATOM 0 H5'' G A 4 6.060 0.567 8.014 1.00 0.00 H new ATOM 0 H4' G A 4 6.693 -0.966 6.317 1.00 0.00 H new ATOM 0 H3' G A 4 4.773 1.233 5.358 1.00 0.00 H new ATOM 0 H2' G A 4 5.074 0.313 3.093 1.00 0.00 H new ATOM 0 HO2' G A 4 6.532 -1.304 2.613 1.00 0.00 H new ATOM 0 H1' G A 4 4.823 -2.361 3.850 1.00 0.00 H new ATOM 0 H8 G A 4 2.200 -0.743 5.959 1.00 0.00 H new ATOM 0 H1 G A 4 0.505 -1.266 -0.266 1.00 0.00 H new ATOM 0 H21 G A 4 3.908 -1.997 -0.776 1.00 0.00 H new ATOM 0 H22 G A 4 2.309 -1.779 -1.495 1.00 0.00 H new ATOM 134 P A A 5 6.647 2.938 4.754 1.00 0.00 P ATOM 135 OP1 A A 5 7.975 3.551 4.982 1.00 0.00 O ATOM 136 OP2 A A 5 5.449 3.563 5.358 1.00 0.00 O ATOM 137 O5' A A 5 6.395 2.833 3.155 1.00 0.00 O ATOM 138 C5' A A 5 7.385 2.352 2.255 1.00 0.00 C ATOM 139 C4' A A 5 6.799 2.117 0.853 1.00 0.00 C ATOM 140 O4' A A 5 5.661 1.273 0.914 1.00 0.00 O ATOM 141 C3' A A 5 6.325 3.397 0.158 1.00 0.00 C ATOM 142 O3' A A 5 7.421 4.101 -0.423 1.00 0.00 O ATOM 143 C2' A A 5 5.317 2.836 -0.851 1.00 0.00 C ATOM 144 O2' A A 5 5.900 2.455 -2.085 1.00 0.00 O ATOM 145 C1' A A 5 4.764 1.588 -0.142 1.00 0.00 C ATOM 146 N9 A A 5 3.381 1.794 0.374 1.00 0.00 N ATOM 147 C8 A A 5 2.935 1.867 1.674 1.00 0.00 C ATOM 148 N7 A A 5 1.647 2.028 1.796 1.00 0.00 N ATOM 149 C5 A A 5 1.183 2.055 0.486 1.00 0.00 C ATOM 150 C6 A A 5 -0.114 2.190 -0.095 1.00 0.00 C ATOM 151 N6 A A 5 -1.235 2.332 0.629 1.00 0.00 N ATOM 152 N1 A A 5 -0.226 2.188 -1.449 1.00 0.00 N ATOM 153 C2 A A 5 0.884 2.051 -2.189 1.00 0.00 C ATOM 154 N3 A A 5 2.148 1.904 -1.766 1.00 0.00 N ATOM 155 C4 A A 5 2.242 1.914 -0.394 1.00 0.00 C ATOM 0 H5' A A 5 7.805 1.421 2.637 1.00 0.00 H new ATOM 0 H5'' A A 5 8.203 3.069 2.194 1.00 0.00 H new ATOM 0 H4' A A 5 7.621 1.675 0.290 1.00 0.00 H new ATOM 0 H3' A A 5 5.879 4.149 0.808 1.00 0.00 H new ATOM 0 H2' A A 5 4.571 3.587 -1.112 1.00 0.00 H new ATOM 0 HO2' A A 5 6.757 2.916 -2.198 1.00 0.00 H new ATOM 0 H1' A A 5 4.693 0.765 -0.853 1.00 0.00 H new ATOM 0 H8 A A 5 3.598 1.797 2.524 1.00 0.00 H new ATOM 0 H61 A A 5 -2.136 2.425 0.161 1.00 0.00 H new ATOM 0 H62 A A 5 -1.186 2.347 1.648 1.00 0.00 H new ATOM 0 H2 A A 5 0.742 2.060 -3.260 1.00 0.00 H new ATOM 167 P C A 6 7.471 5.717 -0.552 1.00 0.00 P ATOM 168 OP1 C A 6 8.699 6.076 -1.296 1.00 0.00 O ATOM 169 OP2 C A 6 7.248 6.290 0.794 1.00 0.00 O ATOM 170 O5' C A 6 6.184 6.080 -1.470 1.00 0.00 O ATOM 171 C5' C A 6 6.152 5.851 -2.875 1.00 0.00 C ATOM 172 C4' C A 6 4.734 6.042 -3.436 1.00 0.00 C ATOM 173 O4' C A 6 3.833 5.162 -2.792 1.00 0.00 O ATOM 174 C3' C A 6 4.154 7.440 -3.202 1.00 0.00 C ATOM 175 O3' C A 6 4.626 8.384 -4.160 1.00 0.00 O ATOM 176 C2' C A 6 2.641 7.187 -3.239 1.00 0.00 C ATOM 177 O2' C A 6 2.062 7.373 -4.521 1.00 0.00 O ATOM 178 C1' C A 6 2.524 5.707 -2.822 1.00 0.00 C ATOM 179 N1 C A 6 1.820 5.571 -1.503 1.00 0.00 N ATOM 180 C2 C A 6 0.408 5.501 -1.497 1.00 0.00 C ATOM 181 O2 C A 6 -0.250 5.533 -2.538 1.00 0.00 O ATOM 182 N3 C A 6 -0.237 5.394 -0.290 1.00 0.00 N ATOM 183 C4 C A 6 0.438 5.361 0.878 1.00 0.00 C ATOM 184 N4 C A 6 -0.258 5.254 2.017 1.00 0.00 N ATOM 185 C5 C A 6 1.884 5.432 0.897 1.00 0.00 C ATOM 186 C6 C A 6 2.521 5.535 -0.303 1.00 0.00 C ATOM 0 H5' C A 6 6.498 4.840 -3.089 1.00 0.00 H new ATOM 0 H5'' C A 6 6.839 6.535 -3.374 1.00 0.00 H new ATOM 0 H4' C A 6 4.836 5.859 -4.506 1.00 0.00 H new ATOM 0 H3' C A 6 4.460 7.900 -2.262 1.00 0.00 H new ATOM 0 H2' C A 6 2.110 7.889 -2.595 1.00 0.00 H new ATOM 0 HO2' C A 6 2.692 7.853 -5.098 1.00 0.00 H new ATOM 0 H1' C A 6 1.919 5.154 -3.540 1.00 0.00 H new ATOM 0 H41 C A 6 0.230 5.227 2.912 1.00 0.00 H new ATOM 0 H42 C A 6 -1.276 5.199 1.989 1.00 0.00 H new ATOM 0 H5 C A 6 2.436 5.404 1.825 1.00 0.00 H new ATOM 0 H6 C A 6 3.599 5.590 -0.322 1.00 0.00 H new ATOM 198 P A A 7 5.414 9.738 -3.740 1.00 0.00 P ATOM 199 OP1 A A 7 5.461 10.626 -4.923 1.00 0.00 O ATOM 200 OP2 A A 7 6.676 9.346 -3.071 1.00 0.00 O ATOM 201 O5' A A 7 4.459 10.421 -2.625 1.00 0.00 O ATOM 202 C5' A A 7 3.120 10.806 -2.902 1.00 0.00 C ATOM 203 C4' A A 7 2.341 11.066 -1.604 1.00 0.00 C ATOM 204 O4' A A 7 2.400 9.911 -0.775 1.00 0.00 O ATOM 205 C3' A A 7 2.877 12.256 -0.779 1.00 0.00 C ATOM 206 O3' A A 7 1.793 13.061 -0.325 1.00 0.00 O ATOM 207 C2' A A 7 3.573 11.544 0.384 1.00 0.00 C ATOM 208 O2' A A 7 3.689 12.320 1.564 1.00 0.00 O ATOM 209 C1' A A 7 2.686 10.314 0.551 1.00 0.00 C ATOM 210 N9 A A 7 3.357 9.244 1.334 1.00 0.00 N ATOM 211 C8 A A 7 4.144 8.213 0.882 1.00 0.00 C ATOM 212 N7 A A 7 4.597 7.426 1.817 1.00 0.00 N ATOM 213 C5 A A 7 4.084 7.968 2.989 1.00 0.00 C ATOM 214 C6 A A 7 4.191 7.604 4.365 1.00 0.00 C ATOM 215 N6 A A 7 4.897 6.548 4.792 1.00 0.00 N ATOM 216 N1 A A 7 3.549 8.362 5.295 1.00 0.00 N ATOM 217 C2 A A 7 2.843 9.426 4.882 1.00 0.00 C ATOM 218 N3 A A 7 2.672 9.871 3.626 1.00 0.00 N ATOM 219 C4 A A 7 3.323 9.088 2.703 1.00 0.00 C ATOM 0 H5' A A 7 2.625 10.024 -3.477 1.00 0.00 H new ATOM 0 H5'' A A 7 3.117 11.705 -3.518 1.00 0.00 H new ATOM 0 H4' A A 7 1.323 11.305 -1.913 1.00 0.00 H new ATOM 0 H3' A A 7 3.535 12.931 -1.327 1.00 0.00 H new ATOM 0 H2' A A 7 4.620 11.317 0.184 1.00 0.00 H new ATOM 0 HO2' A A 7 3.520 11.754 2.346 1.00 0.00 H new ATOM 0 H1' A A 7 1.780 10.531 1.117 1.00 0.00 H new ATOM 0 H8 A A 7 4.369 8.066 -0.164 1.00 0.00 H new ATOM 0 H61 A A 7 4.940 6.332 5.788 1.00 0.00 H new ATOM 0 H62 A A 7 5.391 5.960 4.121 1.00 0.00 H new ATOM 0 H2 A A 7 2.351 9.996 5.656 1.00 0.00 H new ATOM 231 P U A 8 1.202 14.323 -1.152 1.00 0.00 P ATOM 232 OP1 U A 8 1.412 14.119 -2.606 1.00 0.00 O ATOM 233 OP2 U A 8 1.687 15.562 -0.504 1.00 0.00 O ATOM 234 O5' U A 8 -0.371 14.164 -0.816 1.00 0.00 O ATOM 235 C5' U A 8 -1.176 13.163 -1.423 1.00 0.00 C ATOM 236 C4' U A 8 -2.313 12.694 -0.505 1.00 0.00 C ATOM 237 O4' U A 8 -1.744 12.058 0.630 1.00 0.00 O ATOM 238 C3' U A 8 -3.224 13.825 0.008 1.00 0.00 C ATOM 239 O3' U A 8 -4.572 13.362 -0.039 1.00 0.00 O ATOM 240 C2' U A 8 -2.705 14.022 1.438 1.00 0.00 C ATOM 241 O2' U A 8 -3.643 14.589 2.333 1.00 0.00 O ATOM 242 C1' U A 8 -2.317 12.593 1.810 1.00 0.00 C ATOM 243 N1 U A 8 -1.382 12.519 2.977 1.00 0.00 N ATOM 244 C2 U A 8 -1.892 12.139 4.239 1.00 0.00 C ATOM 245 O2 U A 8 -3.076 11.867 4.444 1.00 0.00 O ATOM 246 N3 U A 8 -0.973 12.081 5.294 1.00 0.00 N ATOM 247 C4 U A 8 0.393 12.370 5.199 1.00 0.00 C ATOM 248 O4 U A 8 1.113 12.293 6.191 1.00 0.00 O ATOM 249 C5 U A 8 0.835 12.754 3.862 1.00 0.00 C ATOM 250 C6 U A 8 -0.036 12.816 2.819 1.00 0.00 C ATOM 0 H5' U A 8 -0.552 12.310 -1.689 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.597 13.552 -2.350 1.00 0.00 H new ATOM 0 H4' U A 8 -2.932 12.028 -1.106 1.00 0.00 H new ATOM 0 H3' U A 8 -3.209 14.756 -0.559 1.00 0.00 H new ATOM 0 H2' U A 8 -1.891 14.745 1.499 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.526 14.613 1.909 1.00 0.00 H new ATOM 0 H1' U A 8 -3.185 12.023 2.143 1.00 0.00 H new ATOM 0 H3 U A 8 -1.329 11.805 6.209 1.00 0.00 H new ATOM 0 H5 U A 8 1.875 12.994 3.697 1.00 0.00 H new ATOM 0 H6 U A 8 0.329 13.103 1.844 1.00 0.00 H new ATOM 261 P A A 9 -5.816 14.302 -0.478 1.00 0.00 P ATOM 262 OP1 A A 9 -5.415 15.138 -1.634 1.00 0.00 O ATOM 263 OP2 A A 9 -6.355 14.946 0.740 1.00 0.00 O ATOM 264 O5' A A 9 -6.913 13.224 -0.992 1.00 0.00 O ATOM 265 C5' A A 9 -6.678 12.329 -2.075 1.00 0.00 C ATOM 266 C4' A A 9 -6.530 10.868 -1.647 1.00 0.00 C ATOM 267 O4' A A 9 -5.283 10.684 -1.021 1.00 0.00 O ATOM 268 C3' A A 9 -7.579 10.358 -0.645 1.00 0.00 C ATOM 269 O3' A A 9 -8.667 9.749 -1.329 1.00 0.00 O ATOM 270 C2' A A 9 -6.754 9.436 0.268 1.00 0.00 C ATOM 271 O2' A A 9 -7.244 8.123 0.423 1.00 0.00 O ATOM 272 C1' A A 9 -5.356 9.448 -0.361 1.00 0.00 C ATOM 273 N9 A A 9 -4.221 9.347 0.581 1.00 0.00 N ATOM 274 C8 A A 9 -4.174 9.526 1.938 1.00 0.00 C ATOM 275 N7 A A 9 -2.993 9.351 2.466 1.00 0.00 N ATOM 276 C5 A A 9 -2.183 9.051 1.375 1.00 0.00 C ATOM 277 C6 A A 9 -0.793 8.768 1.216 1.00 0.00 C ATOM 278 N6 A A 9 0.063 8.731 2.245 1.00 0.00 N ATOM 279 N1 A A 9 -0.312 8.523 -0.034 1.00 0.00 N ATOM 280 C2 A A 9 -1.170 8.556 -1.065 1.00 0.00 C ATOM 281 N3 A A 9 -2.479 8.816 -1.049 1.00 0.00 N ATOM 282 C4 A A 9 -2.936 9.055 0.219 1.00 0.00 C ATOM 0 H5' A A 9 -5.774 12.638 -2.600 1.00 0.00 H new ATOM 0 H5'' A A 9 -7.501 12.408 -2.785 1.00 0.00 H new ATOM 0 H4' A A 9 -6.652 10.308 -2.574 1.00 0.00 H new ATOM 0 H3' A A 9 -8.078 11.124 -0.052 1.00 0.00 H new ATOM 0 H2' A A 9 -6.786 9.807 1.292 1.00 0.00 H new ATOM 0 HO2' A A 9 -6.675 7.500 -0.076 1.00 0.00 H new ATOM 0 H1' A A 9 -5.255 8.566 -0.993 1.00 0.00 H new ATOM 0 H8 A A 9 -5.042 9.790 2.523 1.00 0.00 H new ATOM 0 H61 A A 9 1.048 8.524 2.082 1.00 0.00 H new ATOM 0 H62 A A 9 -0.270 8.910 3.192 1.00 0.00 H new ATOM 0 H2 A A 9 -0.746 8.344 -2.035 1.00 0.00 H new ATOM 294 P G A 10 -10.176 9.794 -0.742 1.00 0.00 P ATOM 295 OP1 G A 10 -10.602 11.212 -0.704 1.00 0.00 O ATOM 296 OP2 G A 10 -10.223 8.987 0.500 1.00 0.00 O ATOM 297 O5' G A 10 -11.066 9.054 -1.882 1.00 0.00 O ATOM 298 C5' G A 10 -11.157 7.643 -2.034 1.00 0.00 C ATOM 299 C4' G A 10 -9.989 7.021 -2.821 1.00 0.00 C ATOM 300 O4' G A 10 -8.806 6.965 -2.043 1.00 0.00 O ATOM 301 C3' G A 10 -10.317 5.564 -3.252 1.00 0.00 C ATOM 302 O3' G A 10 -10.104 5.269 -4.637 1.00 0.00 O ATOM 303 C2' G A 10 -9.330 4.766 -2.381 1.00 0.00 C ATOM 304 O2' G A 10 -8.964 3.491 -2.881 1.00 0.00 O ATOM 305 C1' G A 10 -8.163 5.742 -2.327 1.00 0.00 C ATOM 306 N9 G A 10 -7.138 5.458 -1.294 1.00 0.00 N ATOM 307 C8 G A 10 -7.304 5.062 0.013 1.00 0.00 C ATOM 308 N7 G A 10 -6.194 4.946 0.685 1.00 0.00 N ATOM 309 C5 G A 10 -5.207 5.295 -0.230 1.00 0.00 C ATOM 310 C6 G A 10 -3.776 5.350 -0.073 1.00 0.00 C ATOM 311 O6 G A 10 -3.118 5.095 0.934 1.00 0.00 O ATOM 312 N1 G A 10 -3.112 5.740 -1.247 1.00 0.00 N ATOM 313 C2 G A 10 -3.763 6.055 -2.439 1.00 0.00 C ATOM 314 N2 G A 10 -2.988 6.415 -3.471 1.00 0.00 N ATOM 315 N3 G A 10 -5.108 6.005 -2.582 1.00 0.00 N ATOM 316 C4 G A 10 -5.779 5.616 -1.449 1.00 0.00 C ATOM 0 H5' G A 10 -12.092 7.402 -2.540 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.202 7.184 -1.047 1.00 0.00 H new ATOM 0 H4' G A 10 -9.839 7.659 -3.692 1.00 0.00 H new ATOM 0 H3' G A 10 -11.375 5.339 -3.121 1.00 0.00 H new ATOM 0 H2' G A 10 -9.749 4.482 -1.416 1.00 0.00 H new ATOM 0 HO2' G A 10 -9.115 3.464 -3.849 1.00 0.00 H new ATOM 0 H1' G A 10 -7.592 5.705 -3.255 1.00 0.00 H new ATOM 0 H8 G A 10 -8.273 4.864 0.446 1.00 0.00 H new ATOM 0 H1 G A 10 -2.094 5.796 -1.227 1.00 0.00 H new ATOM 0 H21 G A 10 -3.411 6.656 -4.367 1.00 0.00 H new ATOM 0 H22 G A 10 -1.975 6.448 -3.360 1.00 0.00 H new ATOM 328 P A A 11 -10.506 6.218 -5.892 1.00 0.00 P ATOM 329 OP1 A A 11 -11.505 7.233 -5.483 1.00 0.00 O ATOM 330 OP2 A A 11 -10.781 5.341 -7.053 1.00 0.00 O ATOM 331 O5' A A 11 -9.071 6.931 -6.107 1.00 0.00 O ATOM 332 C5' A A 11 -8.782 7.779 -7.204 1.00 0.00 C ATOM 333 C4' A A 11 -7.299 7.697 -7.615 1.00 0.00 C ATOM 334 O4' A A 11 -6.521 8.588 -6.848 1.00 0.00 O ATOM 335 C3' A A 11 -6.616 6.318 -7.455 1.00 0.00 C ATOM 336 O3' A A 11 -6.550 5.611 -8.693 1.00 0.00 O ATOM 337 C2' A A 11 -5.254 6.662 -6.829 1.00 0.00 C ATOM 338 O2' A A 11 -4.136 6.004 -7.398 1.00 0.00 O ATOM 339 C1' A A 11 -5.175 8.176 -6.983 1.00 0.00 C ATOM 340 N9 A A 11 -4.327 8.787 -5.933 1.00 0.00 N ATOM 341 C8 A A 11 -4.704 9.201 -4.682 1.00 0.00 C ATOM 342 N7 A A 11 -3.736 9.707 -3.968 1.00 0.00 N ATOM 343 C5 A A 11 -2.622 9.619 -4.802 1.00 0.00 C ATOM 344 C6 A A 11 -1.246 9.981 -4.661 1.00 0.00 C ATOM 345 N6 A A 11 -0.741 10.544 -3.557 1.00 0.00 N ATOM 346 N1 A A 11 -0.394 9.751 -5.694 1.00 0.00 N ATOM 347 C2 A A 11 -0.876 9.191 -6.814 1.00 0.00 C ATOM 348 N3 A A 11 -2.136 8.808 -7.071 1.00 0.00 N ATOM 349 C4 A A 11 -2.978 9.050 -6.013 1.00 0.00 C ATOM 0 H5' A A 11 -9.031 8.808 -6.944 1.00 0.00 H new ATOM 0 H5'' A A 11 -9.410 7.504 -8.051 1.00 0.00 H new ATOM 0 H4' A A 11 -7.335 7.937 -8.678 1.00 0.00 H new ATOM 0 H3' A A 11 -7.167 5.622 -6.822 1.00 0.00 H new ATOM 0 H2' A A 11 -5.203 6.316 -5.797 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.412 5.537 -8.214 1.00 0.00 H new ATOM 0 H1' A A 11 -4.725 8.479 -7.928 1.00 0.00 H new ATOM 0 H8 A A 11 -5.717 9.116 -4.318 1.00 0.00 H new ATOM 0 H61 A A 11 0.250 10.781 -3.513 1.00 0.00 H new ATOM 0 H62 A A 11 -1.347 10.736 -2.759 1.00 0.00 H new ATOM 0 H2 A A 11 -0.161 9.028 -7.607 1.00 0.00 H new ATOM 361 P U A 12 -7.759 4.662 -9.227 1.00 0.00 P ATOM 362 OP1 U A 12 -7.201 3.754 -10.255 1.00 0.00 O ATOM 363 OP2 U A 12 -8.906 5.529 -9.579 1.00 0.00 O ATOM 364 O5' U A 12 -8.182 3.784 -7.917 1.00 0.00 O ATOM 365 C5' U A 12 -7.547 2.568 -7.539 1.00 0.00 C ATOM 366 C4' U A 12 -6.036 2.707 -7.276 1.00 0.00 C ATOM 367 O4' U A 12 -5.739 3.463 -6.113 1.00 0.00 O ATOM 368 C3' U A 12 -5.357 1.365 -7.008 1.00 0.00 C ATOM 369 O3' U A 12 -5.267 0.551 -8.174 1.00 0.00 O ATOM 370 C2' U A 12 -4.017 1.859 -6.457 1.00 0.00 C ATOM 371 O2' U A 12 -3.098 2.253 -7.464 1.00 0.00 O ATOM 372 C1' U A 12 -4.450 3.079 -5.628 1.00 0.00 C ATOM 373 N1 U A 12 -4.423 2.799 -4.154 1.00 0.00 N ATOM 374 C2 U A 12 -3.176 2.856 -3.490 1.00 0.00 C ATOM 375 O2 U A 12 -2.111 3.116 -4.054 1.00 0.00 O ATOM 376 N3 U A 12 -3.184 2.596 -2.116 1.00 0.00 N ATOM 377 C4 U A 12 -4.312 2.286 -1.353 1.00 0.00 C ATOM 378 O4 U A 12 -4.203 2.077 -0.146 1.00 0.00 O ATOM 379 C5 U A 12 -5.558 2.244 -2.111 1.00 0.00 C ATOM 380 C6 U A 12 -5.581 2.493 -3.451 1.00 0.00 C ATOM 0 H5' U A 12 -7.702 1.829 -8.325 1.00 0.00 H new ATOM 0 H5'' U A 12 -8.028 2.183 -6.640 1.00 0.00 H new ATOM 0 H4' U A 12 -5.675 3.188 -8.185 1.00 0.00 H new ATOM 0 H3' U A 12 -5.884 0.693 -6.331 1.00 0.00 H new ATOM 0 H2' U A 12 -3.488 1.081 -5.906 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.266 2.558 -7.046 1.00 0.00 H new ATOM 0 H1' U A 12 -3.750 3.906 -5.749 1.00 0.00 H new ATOM 0 H3 U A 12 -2.289 2.636 -1.629 1.00 0.00 H new ATOM 0 H5 U A 12 -6.481 2.011 -1.600 1.00 0.00 H new ATOM 0 H6 U A 12 -6.522 2.451 -3.979 1.00 0.00 H new ATOM 391 P C A 13 -5.124 -1.065 -8.102 1.00 0.00 P ATOM 392 OP1 C A 13 -5.133 -1.585 -9.488 1.00 0.00 O ATOM 393 OP2 C A 13 -6.111 -1.583 -7.127 1.00 0.00 O ATOM 394 O5' C A 13 -3.648 -1.287 -7.473 1.00 0.00 O ATOM 395 C5' C A 13 -2.464 -1.037 -8.214 1.00 0.00 C ATOM 396 C4' C A 13 -1.214 -1.137 -7.329 1.00 0.00 C ATOM 397 O4' C A 13 -1.245 -0.202 -6.259 1.00 0.00 O ATOM 398 C3' C A 13 -1.030 -2.493 -6.639 1.00 0.00 C ATOM 399 O3' C A 13 -0.615 -3.523 -7.530 1.00 0.00 O ATOM 400 C2' C A 13 -0.006 -2.112 -5.568 1.00 0.00 C ATOM 401 O2' C A 13 1.327 -2.054 -6.049 1.00 0.00 O ATOM 402 C1' C A 13 -0.481 -0.705 -5.163 1.00 0.00 C ATOM 403 N1 C A 13 -1.240 -0.750 -3.865 1.00 0.00 N ATOM 404 C2 C A 13 -0.513 -0.937 -2.664 1.00 0.00 C ATOM 405 O2 C A 13 0.713 -1.064 -2.660 1.00 0.00 O ATOM 406 N3 C A 13 -1.199 -0.977 -1.476 1.00 0.00 N ATOM 407 C4 C A 13 -2.540 -0.851 -1.428 1.00 0.00 C ATOM 408 N4 C A 13 -3.148 -0.898 -0.235 1.00 0.00 N ATOM 409 C5 C A 13 -3.309 -0.672 -2.641 1.00 0.00 C ATOM 410 C6 C A 13 -2.623 -0.627 -3.816 1.00 0.00 C ATOM 0 H5' C A 13 -2.516 -0.044 -8.661 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.389 -1.752 -9.034 1.00 0.00 H new ATOM 0 H4' C A 13 -0.405 -0.954 -8.036 1.00 0.00 H new ATOM 0 H3' C A 13 -1.939 -2.937 -6.232 1.00 0.00 H new ATOM 0 H2' C A 13 0.033 -2.845 -4.762 1.00 0.00 H new ATOM 0 HO2' C A 13 1.881 -2.694 -5.556 1.00 0.00 H new ATOM 0 H1' C A 13 0.353 -0.030 -4.971 1.00 0.00 H new ATOM 0 H41 C A 13 -4.162 -0.805 -0.175 1.00 0.00 H new ATOM 0 H42 C A 13 -2.597 -1.027 0.614 1.00 0.00 H new ATOM 0 H5 C A 13 -4.385 -0.578 -2.615 1.00 0.00 H new ATOM 0 H6 C A 13 -3.170 -0.492 -4.737 1.00 0.00 H new ATOM 422 P U A 14 -0.868 -5.099 -7.223 1.00 0.00 P ATOM 423 OP1 U A 14 -0.363 -5.874 -8.380 1.00 0.00 O ATOM 424 OP2 U A 14 -2.275 -5.273 -6.797 1.00 0.00 O ATOM 425 O5' U A 14 0.075 -5.408 -5.942 1.00 0.00 O ATOM 426 C5' U A 14 1.491 -5.467 -6.034 1.00 0.00 C ATOM 427 C4' U A 14 2.150 -5.491 -4.647 1.00 0.00 C ATOM 428 O4' U A 14 1.769 -4.368 -3.863 1.00 0.00 O ATOM 429 C3' U A 14 1.792 -6.704 -3.781 1.00 0.00 C ATOM 430 O3' U A 14 2.444 -7.902 -4.190 1.00 0.00 O ATOM 431 C2' U A 14 2.217 -6.185 -2.403 1.00 0.00 C ATOM 432 O2' U A 14 3.616 -6.255 -2.173 1.00 0.00 O ATOM 433 C1' U A 14 1.777 -4.715 -2.480 1.00 0.00 C ATOM 434 N1 U A 14 0.450 -4.522 -1.798 1.00 0.00 N ATOM 435 C2 U A 14 0.439 -4.426 -0.388 1.00 0.00 C ATOM 436 O2 U A 14 1.452 -4.505 0.307 1.00 0.00 O ATOM 437 N3 U A 14 -0.808 -4.243 0.221 1.00 0.00 N ATOM 438 C4 U A 14 -2.034 -4.165 -0.446 1.00 0.00 C ATOM 439 O4 U A 14 -3.075 -4.010 0.189 1.00 0.00 O ATOM 440 C5 U A 14 -1.938 -4.285 -1.896 1.00 0.00 C ATOM 441 C6 U A 14 -0.738 -4.456 -2.515 1.00 0.00 C ATOM 0 H5' U A 14 1.855 -4.606 -6.595 1.00 0.00 H new ATOM 0 H5'' U A 14 1.783 -6.357 -6.591 1.00 0.00 H new ATOM 0 H4' U A 14 3.212 -5.507 -4.891 1.00 0.00 H new ATOM 0 H3' U A 14 0.749 -7.015 -3.832 1.00 0.00 H new ATOM 0 H2' U A 14 1.783 -6.771 -1.593 1.00 0.00 H new ATOM 0 HO2' U A 14 3.790 -6.795 -1.374 1.00 0.00 H new ATOM 0 H1' U A 14 2.460 -4.051 -1.950 1.00 0.00 H new ATOM 0 H3 U A 14 -0.823 -4.160 1.237 1.00 0.00 H new ATOM 0 H5 U A 14 -2.838 -4.237 -2.491 1.00 0.00 H new ATOM 0 H6 U A 14 -0.709 -4.543 -3.591 1.00 0.00 H new ATOM 452 P U A 15 1.909 -9.378 -3.766 1.00 0.00 P ATOM 453 OP1 U A 15 2.788 -10.380 -4.411 1.00 0.00 O ATOM 454 OP2 U A 15 0.450 -9.433 -4.012 1.00 0.00 O ATOM 455 O5' U A 15 2.138 -9.443 -2.162 1.00 0.00 O ATOM 456 C5' U A 15 3.427 -9.561 -1.579 1.00 0.00 C ATOM 457 C4' U A 15 3.389 -9.350 -0.057 1.00 0.00 C ATOM 458 O4' U A 15 2.845 -8.084 0.301 1.00 0.00 O ATOM 459 C3' U A 15 2.540 -10.368 0.714 1.00 0.00 C ATOM 460 O3' U A 15 3.156 -11.646 0.829 1.00 0.00 O ATOM 461 C2' U A 15 2.381 -9.622 2.042 1.00 0.00 C ATOM 462 O2' U A 15 3.525 -9.690 2.880 1.00 0.00 O ATOM 463 C1' U A 15 2.176 -8.184 1.559 1.00 0.00 C ATOM 464 N1 U A 15 0.718 -7.826 1.495 1.00 0.00 N ATOM 465 C2 U A 15 0.079 -7.421 2.690 1.00 0.00 C ATOM 466 O2 U A 15 0.644 -7.365 3.783 1.00 0.00 O ATOM 467 N3 U A 15 -1.273 -7.077 2.593 1.00 0.00 N ATOM 468 C4 U A 15 -2.042 -7.119 1.427 1.00 0.00 C ATOM 469 O4 U A 15 -3.228 -6.801 1.457 1.00 0.00 O ATOM 470 C5 U A 15 -1.313 -7.561 0.244 1.00 0.00 C ATOM 471 C6 U A 15 0.005 -7.893 0.306 1.00 0.00 C ATOM 0 H5' U A 15 4.098 -8.830 -2.030 1.00 0.00 H new ATOM 0 H5'' U A 15 3.836 -10.547 -1.799 1.00 0.00 H new ATOM 0 H4' U A 15 4.440 -9.452 0.215 1.00 0.00 H new ATOM 0 H3' U A 15 1.597 -10.638 0.238 1.00 0.00 H new ATOM 0 H2' U A 15 1.581 -10.039 2.653 1.00 0.00 H new ATOM 0 HO2' U A 15 3.355 -9.193 3.707 1.00 0.00 H new ATOM 0 H1' U A 15 2.598 -7.460 2.256 1.00 0.00 H new ATOM 0 H3 U A 15 -1.738 -6.769 3.447 1.00 0.00 H new ATOM 0 H5 U A 15 -1.830 -7.626 -0.702 1.00 0.00 H new ATOM 0 H6 U A 15 0.509 -8.217 -0.593 1.00 0.00 H new ATOM 482 P C A 16 2.315 -12.991 1.190 1.00 0.00 P ATOM 483 OP1 C A 16 3.266 -14.126 1.220 1.00 0.00 O ATOM 484 OP2 C A 16 1.139 -13.057 0.292 1.00 0.00 O ATOM 485 O5' C A 16 1.767 -12.736 2.695 1.00 0.00 O ATOM 486 C5' C A 16 2.614 -12.762 3.837 1.00 0.00 C ATOM 487 C4' C A 16 1.889 -12.257 5.096 1.00 0.00 C ATOM 488 O4' C A 16 1.368 -10.945 4.921 1.00 0.00 O ATOM 489 C3' C A 16 0.686 -13.104 5.521 1.00 0.00 C ATOM 490 O3' C A 16 1.051 -14.319 6.150 1.00 0.00 O ATOM 491 C2' C A 16 -0.065 -12.118 6.421 1.00 0.00 C ATOM 492 O2' C A 16 0.448 -12.040 7.743 1.00 0.00 O ATOM 493 C1' C A 16 0.173 -10.783 5.688 1.00 0.00 C ATOM 494 N1 C A 16 -1.027 -10.409 4.859 1.00 0.00 N ATOM 495 C2 C A 16 -2.167 -9.884 5.518 1.00 0.00 C ATOM 496 O2 C A 16 -2.193 -9.715 6.739 1.00 0.00 O ATOM 497 N3 C A 16 -3.273 -9.561 4.771 1.00 0.00 N ATOM 498 C4 C A 16 -3.298 -9.737 3.432 1.00 0.00 C ATOM 499 N4 C A 16 -4.407 -9.403 2.758 1.00 0.00 N ATOM 500 C5 C A 16 -2.148 -10.274 2.735 1.00 0.00 C ATOM 501 C6 C A 16 -1.054 -10.590 3.482 1.00 0.00 C ATOM 0 H5' C A 16 3.493 -12.145 3.652 1.00 0.00 H new ATOM 0 H5'' C A 16 2.968 -13.779 4.004 1.00 0.00 H new ATOM 0 H4' C A 16 2.668 -12.304 5.857 1.00 0.00 H new ATOM 0 H3' C A 16 0.080 -13.475 4.695 1.00 0.00 H new ATOM 0 H2' C A 16 -1.107 -12.405 6.558 1.00 0.00 H new ATOM 0 HO2' C A 16 0.976 -12.842 7.937 1.00 0.00 H new ATOM 0 HO3' C A 16 0.243 -14.814 6.399 1.00 0.00 H new ATOM 0 H1' C A 16 0.304 -9.953 6.382 1.00 0.00 H new ATOM 0 H41 C A 16 -4.446 -9.528 1.746 1.00 0.00 H new ATOM 0 H42 C A 16 -5.212 -9.024 3.257 1.00 0.00 H new ATOM 0 H5 C A 16 -2.157 -10.418 1.665 1.00 0.00 H new ATOM 0 H6 C A 16 -0.182 -10.993 2.989 1.00 0.00 H new TER 514 C A 16