USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.09 USER MOD Single : A 8 C O5' : rot 180:sc= -0.885 USER MOD Single : A 9 C O2' : rot -24:sc= 0.127 USER MOD Single : A 10 G O2' : rot -18:sc= 0.187 USER MOD Single : A 11 U O2' : rot 21:sc= -1.25! USER MOD Single : A 12 U O2' : rot 153:sc= 1.25 USER MOD Single : A 13 G O2' : rot -15:sc= 0.193 USER MOD Single : A 14 A O2' : rot -73:sc= 0.245 USER MOD Single : A 15 A O2' : rot -101:sc= 0.207! USER MOD Single : A 16 U O2' : rot 139:sc= 0.216 USER MOD Single : A 17 C O2' : rot -135:sc= -2.14! USER MOD Single : A 18 U O2' : rot 155:sc= 1.26 USER MOD Single : A 19 C O2' : rot -26:sc= 0.0941 USER MOD Single : A 20 A O2' : rot -173:sc= 0.894 USER MOD Single : A 21 C O2' : rot 35:sc= -0.998! USER MOD Single : A 22 G O2' : rot 180:sc= -0.347 USER MOD Single : A 23 G O2' : rot -18:sc= 0.0981 USER MOD Single : A 23 G O3' : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 1.038 -1.118 -11.178 1.00 0.00 O ATOM 2 C5' C A 8 0.854 -2.044 -12.246 1.00 0.00 C ATOM 3 C4' C A 8 1.478 -3.378 -11.900 1.00 0.00 C ATOM 4 O4' C A 8 2.923 -3.228 -11.905 1.00 0.00 O ATOM 5 C3' C A 8 1.150 -3.923 -10.515 1.00 0.00 C ATOM 6 O3' C A 8 -0.060 -4.671 -10.524 1.00 0.00 O ATOM 7 C2' C A 8 2.364 -4.788 -10.196 1.00 0.00 C ATOM 8 O2' C A 8 2.278 -6.051 -10.828 1.00 0.00 O ATOM 9 C1' C A 8 3.490 -3.990 -10.853 1.00 0.00 C ATOM 10 N1 C A 8 4.184 -3.067 -9.932 1.00 0.00 N ATOM 11 C2 C A 8 5.291 -3.534 -9.200 1.00 0.00 C ATOM 12 O2 C A 8 5.666 -4.711 -9.347 1.00 0.00 O ATOM 13 N3 C A 8 5.923 -2.690 -8.353 1.00 0.00 N ATOM 14 C4 C A 8 5.497 -1.431 -8.221 1.00 0.00 C ATOM 15 N4 C A 8 6.153 -0.636 -7.373 1.00 0.00 N ATOM 16 C5 C A 8 4.380 -0.931 -8.952 1.00 0.00 C ATOM 17 C6 C A 8 3.761 -1.774 -9.789 1.00 0.00 C ATOM 0 H5' C A 8 1.303 -1.651 -13.158 1.00 0.00 H new ATOM 0 H5'' C A 8 -0.210 -2.173 -12.444 1.00 0.00 H new ATOM 0 H4' C A 8 1.075 -4.067 -12.643 1.00 0.00 H new ATOM 0 H3' C A 8 0.980 -3.146 -9.770 1.00 0.00 H new ATOM 0 H2' C A 8 2.482 -4.981 -9.130 1.00 0.00 H new ATOM 0 HO2' C A 8 3.071 -6.583 -10.606 1.00 0.00 H new ATOM 0 HO5' C A 8 0.631 -0.259 -11.416 1.00 0.00 H new ATOM 0 H1' C A 8 4.235 -4.706 -11.201 1.00 0.00 H new ATOM 0 H41 C A 8 5.855 0.331 -7.247 1.00 0.00 H new ATOM 0 H42 C A 8 6.952 -0.996 -6.851 1.00 0.00 H new ATOM 0 H5 C A 8 4.045 0.089 -8.835 1.00 0.00 H new ATOM 0 H6 C A 8 2.913 -1.427 -10.361 1.00 0.00 H new ATOM 29 P C A 9 -0.840 -4.946 -9.144 1.00 0.00 P ATOM 30 OP1 C A 9 -2.128 -5.599 -9.491 1.00 0.00 O ATOM 31 OP2 C A 9 -0.847 -3.694 -8.344 1.00 0.00 O ATOM 32 O5' C A 9 0.073 -6.013 -8.393 1.00 0.00 O ATOM 33 C5' C A 9 0.239 -7.331 -8.913 1.00 0.00 C ATOM 34 C4' C A 9 1.125 -8.148 -7.999 1.00 0.00 C ATOM 35 O4' C A 9 2.460 -7.576 -8.006 1.00 0.00 O ATOM 36 C3' C A 9 0.721 -8.164 -6.531 1.00 0.00 C ATOM 37 O3' C A 9 -0.240 -9.182 -6.266 1.00 0.00 O ATOM 38 C2' C A 9 2.043 -8.424 -5.817 1.00 0.00 C ATOM 39 O2' C A 9 2.383 -9.798 -5.843 1.00 0.00 O ATOM 40 C1' C A 9 3.027 -7.665 -6.710 1.00 0.00 C ATOM 41 N1 C A 9 3.340 -6.300 -6.241 1.00 0.00 N ATOM 42 C2 C A 9 4.363 -6.122 -5.292 1.00 0.00 C ATOM 43 O2 C A 9 4.977 -7.116 -4.868 1.00 0.00 O ATOM 44 N3 C A 9 4.653 -4.873 -4.862 1.00 0.00 N ATOM 45 C4 C A 9 3.972 -3.828 -5.339 1.00 0.00 C ATOM 46 N4 C A 9 4.296 -2.614 -4.886 1.00 0.00 N ATOM 47 C5 C A 9 2.931 -3.978 -6.300 1.00 0.00 C ATOM 48 C6 C A 9 2.651 -5.218 -6.719 1.00 0.00 C ATOM 0 H5' C A 9 0.678 -7.284 -9.909 1.00 0.00 H new ATOM 0 H5'' C A 9 -0.733 -7.814 -9.016 1.00 0.00 H new ATOM 0 H4' C A 9 1.050 -9.163 -8.389 1.00 0.00 H new ATOM 0 H3' C A 9 0.239 -7.243 -6.205 1.00 0.00 H new ATOM 0 H2' C A 9 2.027 -8.126 -4.769 1.00 0.00 H new ATOM 0 HO2' C A 9 1.570 -10.334 -5.953 1.00 0.00 H new ATOM 0 H1' C A 9 3.965 -8.219 -6.695 1.00 0.00 H new ATOM 0 H41 C A 9 3.797 -1.792 -5.228 1.00 0.00 H new ATOM 0 H42 C A 9 5.042 -2.509 -4.198 1.00 0.00 H new ATOM 0 H5 C A 9 2.388 -3.123 -6.676 1.00 0.00 H new ATOM 0 H6 C A 9 1.868 -5.368 -7.447 1.00 0.00 H new ATOM 60 P G A 10 -1.379 -8.935 -5.159 1.00 0.00 P ATOM 61 OP1 G A 10 -2.259 -10.132 -5.126 1.00 0.00 O ATOM 62 OP2 G A 10 -1.972 -7.598 -5.415 1.00 0.00 O ATOM 63 O5' G A 10 -0.576 -8.863 -3.784 1.00 0.00 O ATOM 64 C5' G A 10 0.020 -10.028 -3.219 1.00 0.00 C ATOM 65 C4' G A 10 1.105 -9.636 -2.243 1.00 0.00 C ATOM 66 O4' G A 10 1.886 -8.562 -2.812 1.00 0.00 O ATOM 67 C3' G A 10 0.619 -9.070 -0.917 1.00 0.00 C ATOM 68 O3' G A 10 0.319 -10.117 0.002 1.00 0.00 O ATOM 69 C2' G A 10 1.787 -8.199 -0.450 1.00 0.00 C ATOM 70 O2' G A 10 2.721 -8.957 0.296 1.00 0.00 O ATOM 71 C1' G A 10 2.453 -7.795 -1.770 1.00 0.00 C ATOM 72 N9 G A 10 2.284 -6.382 -2.099 1.00 0.00 N ATOM 73 C8 G A 10 1.369 -5.836 -2.966 1.00 0.00 C ATOM 74 N7 G A 10 1.455 -4.537 -3.060 1.00 0.00 N ATOM 75 C5 G A 10 2.494 -4.201 -2.202 1.00 0.00 C ATOM 76 C6 G A 10 3.050 -2.935 -1.883 1.00 0.00 C ATOM 77 O6 G A 10 2.723 -1.819 -2.309 1.00 0.00 O ATOM 78 N1 G A 10 4.089 -3.048 -0.966 1.00 0.00 N ATOM 79 C2 G A 10 4.536 -4.226 -0.422 1.00 0.00 C ATOM 80 N2 G A 10 5.551 -4.123 0.450 1.00 0.00 N ATOM 81 N3 G A 10 4.029 -5.414 -0.709 1.00 0.00 N ATOM 82 C4 G A 10 3.017 -5.328 -1.600 1.00 0.00 C ATOM 0 H5' G A 10 0.439 -10.651 -4.009 1.00 0.00 H new ATOM 0 H5'' G A 10 -0.738 -10.624 -2.711 1.00 0.00 H new ATOM 0 H4' G A 10 1.644 -10.565 -2.060 1.00 0.00 H new ATOM 0 H3' G A 10 -0.306 -8.500 -1.000 1.00 0.00 H new ATOM 0 H2' G A 10 1.461 -7.371 0.179 1.00 0.00 H new ATOM 0 HO2' G A 10 2.301 -9.791 0.595 1.00 0.00 H new ATOM 0 H1' G A 10 3.522 -7.976 -1.656 1.00 0.00 H new ATOM 0 H8 G A 10 0.649 -6.424 -3.516 1.00 0.00 H new ATOM 0 H1 G A 10 4.555 -2.189 -0.675 1.00 0.00 H new ATOM 0 H21 G A 10 5.931 -4.960 0.891 1.00 0.00 H new ATOM 0 H22 G A 10 5.942 -3.207 0.671 1.00 0.00 H new ATOM 94 P U A 11 -0.553 -9.805 1.320 1.00 0.00 P ATOM 95 OP1 U A 11 -1.320 -11.031 1.655 1.00 0.00 O ATOM 96 OP2 U A 11 -1.276 -8.521 1.122 1.00 0.00 O ATOM 97 O5' U A 11 0.539 -9.584 2.459 1.00 0.00 O ATOM 98 C5' U A 11 0.175 -9.055 3.730 1.00 0.00 C ATOM 99 C4' U A 11 1.273 -8.159 4.254 1.00 0.00 C ATOM 100 O4' U A 11 1.707 -7.287 3.171 1.00 0.00 O ATOM 101 C3' U A 11 0.870 -7.235 5.403 1.00 0.00 C ATOM 102 O3' U A 11 1.913 -7.119 6.367 1.00 0.00 O ATOM 103 C2' U A 11 0.580 -5.909 4.707 1.00 0.00 C ATOM 104 O2' U A 11 0.875 -4.801 5.533 1.00 0.00 O ATOM 105 C1' U A 11 1.605 -5.940 3.580 1.00 0.00 C ATOM 106 N1 U A 11 1.233 -5.114 2.421 1.00 0.00 N ATOM 107 C2 U A 11 1.744 -3.827 2.356 1.00 0.00 C ATOM 108 O2 U A 11 2.497 -3.363 3.199 1.00 0.00 O ATOM 109 N3 U A 11 1.342 -3.099 1.263 1.00 0.00 N ATOM 110 C4 U A 11 0.511 -3.518 0.246 1.00 0.00 C ATOM 111 O4 U A 11 0.244 -2.745 -0.675 1.00 0.00 O ATOM 112 C5 U A 11 0.034 -4.859 0.382 1.00 0.00 C ATOM 113 C6 U A 11 0.397 -5.596 1.437 1.00 0.00 C ATOM 0 H5' U A 11 -0.007 -9.868 4.432 1.00 0.00 H new ATOM 0 H5'' U A 11 -0.755 -8.492 3.646 1.00 0.00 H new ATOM 0 H4' U A 11 2.041 -8.836 4.629 1.00 0.00 H new ATOM 0 H3' U A 11 0.014 -7.603 5.968 1.00 0.00 H new ATOM 0 H2' U A 11 -0.465 -5.806 4.413 1.00 0.00 H new ATOM 0 HO2' U A 11 1.503 -5.074 6.234 1.00 0.00 H new ATOM 0 H1' U A 11 2.544 -5.530 3.952 1.00 0.00 H new ATOM 0 H3 U A 11 1.697 -2.145 1.197 1.00 0.00 H new ATOM 0 H5 U A 11 -0.620 -5.277 -0.368 1.00 0.00 H new ATOM 0 H6 U A 11 0.022 -6.605 1.521 1.00 0.00 H new ATOM 124 P U A 12 1.554 -6.806 7.905 1.00 0.00 P ATOM 125 OP1 U A 12 2.701 -7.252 8.737 1.00 0.00 O ATOM 126 OP2 U A 12 0.195 -7.342 8.187 1.00 0.00 O ATOM 127 O5' U A 12 1.490 -5.214 7.973 1.00 0.00 O ATOM 128 C5' U A 12 0.794 -4.549 9.025 1.00 0.00 C ATOM 129 C4' U A 12 0.572 -3.096 8.668 1.00 0.00 C ATOM 130 O4' U A 12 -0.045 -3.026 7.350 1.00 0.00 O ATOM 131 C3' U A 12 -0.366 -2.332 9.601 1.00 0.00 C ATOM 132 O3' U A 12 0.065 -0.987 9.778 1.00 0.00 O ATOM 133 C2' U A 12 -1.711 -2.415 8.887 1.00 0.00 C ATOM 134 O2' U A 12 -2.524 -1.296 9.185 1.00 0.00 O ATOM 135 C1' U A 12 -1.271 -2.324 7.429 1.00 0.00 C ATOM 136 N1 U A 12 -2.213 -2.908 6.456 1.00 0.00 N ATOM 137 C2 U A 12 -3.416 -2.247 6.224 1.00 0.00 C ATOM 138 O2 U A 12 -3.728 -1.208 6.786 1.00 0.00 O ATOM 139 N3 U A 12 -4.240 -2.849 5.305 1.00 0.00 N ATOM 140 C4 U A 12 -3.998 -4.014 4.610 1.00 0.00 C ATOM 141 O4 U A 12 -4.842 -4.431 3.814 1.00 0.00 O ATOM 142 C5 U A 12 -2.743 -4.632 4.902 1.00 0.00 C ATOM 143 C6 U A 12 -1.911 -4.077 5.789 1.00 0.00 C ATOM 0 H5' U A 12 1.365 -4.620 9.951 1.00 0.00 H new ATOM 0 H5'' U A 12 -0.164 -5.038 9.203 1.00 0.00 H new ATOM 0 H4' U A 12 1.559 -2.639 8.732 1.00 0.00 H new ATOM 0 H3' U A 12 -0.403 -2.744 10.609 1.00 0.00 H new ATOM 0 H2' U A 12 -2.292 -3.297 9.157 1.00 0.00 H new ATOM 0 HO2' U A 12 -3.146 -1.137 8.445 1.00 0.00 H new ATOM 0 H1' U A 12 -1.204 -1.269 7.163 1.00 0.00 H new ATOM 0 H3 U A 12 -5.128 -2.383 5.116 1.00 0.00 H new ATOM 0 H5 U A 12 -2.466 -5.550 4.405 1.00 0.00 H new ATOM 0 H6 U A 12 -0.967 -4.562 5.991 1.00 0.00 H new ATOM 154 P G A 13 1.012 -0.611 11.021 1.00 0.00 P ATOM 155 OP1 G A 13 2.333 -1.258 10.813 1.00 0.00 O ATOM 156 OP2 G A 13 0.247 -0.888 12.263 1.00 0.00 O ATOM 157 O5' G A 13 1.202 0.966 10.896 1.00 0.00 O ATOM 158 C5' G A 13 0.083 1.846 10.959 1.00 0.00 C ATOM 159 C4' G A 13 0.179 2.889 9.871 1.00 0.00 C ATOM 160 O4' G A 13 0.454 2.235 8.611 1.00 0.00 O ATOM 161 C3' G A 13 -1.097 3.667 9.595 1.00 0.00 C ATOM 162 O3' G A 13 -1.246 4.765 10.492 1.00 0.00 O ATOM 163 C2' G A 13 -0.925 4.131 8.148 1.00 0.00 C ATOM 164 O2' G A 13 -0.225 5.359 8.088 1.00 0.00 O ATOM 165 C1' G A 13 -0.027 3.042 7.555 1.00 0.00 C ATOM 166 N9 G A 13 -0.713 2.183 6.593 1.00 0.00 N ATOM 167 C8 G A 13 -1.110 0.881 6.781 1.00 0.00 C ATOM 168 N7 G A 13 -1.699 0.366 5.736 1.00 0.00 N ATOM 169 C5 G A 13 -1.692 1.390 4.799 1.00 0.00 C ATOM 170 C6 G A 13 -2.191 1.423 3.469 1.00 0.00 C ATOM 171 O6 G A 13 -2.756 0.524 2.834 1.00 0.00 O ATOM 172 N1 G A 13 -1.977 2.662 2.872 1.00 0.00 N ATOM 173 C2 G A 13 -1.361 3.732 3.474 1.00 0.00 C ATOM 174 N2 G A 13 -1.250 4.846 2.732 1.00 0.00 N ATOM 175 N3 G A 13 -0.890 3.714 4.710 1.00 0.00 N ATOM 176 C4 G A 13 -1.087 2.519 5.311 1.00 0.00 C ATOM 0 H5' G A 13 0.046 2.330 11.935 1.00 0.00 H new ATOM 0 H5'' G A 13 -0.842 1.279 10.849 1.00 0.00 H new ATOM 0 H4' G A 13 0.950 3.571 10.230 1.00 0.00 H new ATOM 0 H3' G A 13 -1.998 3.070 9.739 1.00 0.00 H new ATOM 0 H2' G A 13 -1.878 4.275 7.640 1.00 0.00 H new ATOM 0 HO2' G A 13 -0.213 5.773 8.976 1.00 0.00 H new ATOM 0 H1' G A 13 0.778 3.545 7.020 1.00 0.00 H new ATOM 0 H8 G A 13 -0.951 0.338 7.701 1.00 0.00 H new ATOM 0 H1 G A 13 -2.303 2.785 1.913 1.00 0.00 H new ATOM 0 H21 G A 13 -0.802 5.676 3.121 1.00 0.00 H new ATOM 0 H22 G A 13 -1.613 4.862 1.779 1.00 0.00 H new ATOM 188 P A A 14 -2.705 5.393 10.755 1.00 0.00 P ATOM 189 OP1 A A 14 -2.525 6.821 11.127 1.00 0.00 O ATOM 190 OP2 A A 14 -3.415 4.477 11.684 1.00 0.00 O ATOM 191 O5' A A 14 -3.430 5.314 9.336 1.00 0.00 O ATOM 192 C5' A A 14 -4.286 6.360 8.882 1.00 0.00 C ATOM 193 C4' A A 14 -3.949 6.729 7.454 1.00 0.00 C ATOM 194 O4' A A 14 -3.220 5.633 6.839 1.00 0.00 O ATOM 195 C3' A A 14 -5.149 6.955 6.545 1.00 0.00 C ATOM 196 O3' A A 14 -5.608 8.302 6.628 1.00 0.00 O ATOM 197 C2' A A 14 -4.602 6.606 5.164 1.00 0.00 C ATOM 198 O2' A A 14 -3.866 7.683 4.615 1.00 0.00 O ATOM 199 C1' A A 14 -3.633 5.472 5.493 1.00 0.00 C ATOM 200 N9 A A 14 -4.210 4.135 5.342 1.00 0.00 N ATOM 201 C8 A A 14 -4.445 3.206 6.327 1.00 0.00 C ATOM 202 N7 A A 14 -4.978 2.092 5.887 1.00 0.00 N ATOM 203 C5 A A 14 -5.099 2.298 4.520 1.00 0.00 C ATOM 204 C6 A A 14 -5.592 1.487 3.483 1.00 0.00 C ATOM 205 N6 A A 14 -6.078 0.258 3.671 1.00 0.00 N ATOM 206 N1 A A 14 -5.569 1.989 2.230 1.00 0.00 N ATOM 207 C2 A A 14 -5.084 3.222 2.040 1.00 0.00 C ATOM 208 N3 A A 14 -4.593 4.079 2.933 1.00 0.00 N ATOM 209 C4 A A 14 -4.630 3.551 4.169 1.00 0.00 C ATOM 0 H5' A A 14 -4.178 7.233 9.526 1.00 0.00 H new ATOM 0 H5'' A A 14 -5.327 6.042 8.947 1.00 0.00 H new ATOM 0 H4' A A 14 -3.390 7.661 7.538 1.00 0.00 H new ATOM 0 H3' A A 14 -6.020 6.355 6.809 1.00 0.00 H new ATOM 0 H2' A A 14 -5.384 6.363 4.444 1.00 0.00 H new ATOM 0 HO2' A A 14 -4.483 8.390 4.331 1.00 0.00 H new ATOM 0 H1' A A 14 -2.807 5.536 4.785 1.00 0.00 H new ATOM 0 H8 A A 14 -4.212 3.378 7.368 1.00 0.00 H new ATOM 0 H61 A A 14 -6.422 -0.282 2.877 1.00 0.00 H new ATOM 0 H62 A A 14 -6.106 -0.141 4.609 1.00 0.00 H new ATOM 0 H2 A A 14 -5.092 3.571 1.018 1.00 0.00 H new ATOM 221 P A A 15 -6.972 8.731 5.889 1.00 0.00 P ATOM 222 OP1 A A 15 -7.270 10.139 6.253 1.00 0.00 O ATOM 223 OP2 A A 15 -7.983 7.675 6.155 1.00 0.00 O ATOM 224 O5' A A 15 -6.593 8.692 4.341 1.00 0.00 O ATOM 225 C5' A A 15 -7.593 8.511 3.344 1.00 0.00 C ATOM 226 C4' A A 15 -7.012 7.786 2.148 1.00 0.00 C ATOM 227 O4' A A 15 -6.931 6.365 2.449 1.00 0.00 O ATOM 228 C3' A A 15 -7.836 7.875 0.867 1.00 0.00 C ATOM 229 O3' A A 15 -6.994 7.846 -0.282 1.00 0.00 O ATOM 230 C2' A A 15 -8.743 6.652 0.956 1.00 0.00 C ATOM 231 O2' A A 15 -9.098 6.166 -0.323 1.00 0.00 O ATOM 232 C1' A A 15 -7.813 5.639 1.610 1.00 0.00 C ATOM 233 N9 A A 15 -8.514 4.645 2.425 1.00 0.00 N ATOM 234 C8 A A 15 -8.382 4.463 3.773 1.00 0.00 C ATOM 235 N7 A A 15 -9.128 3.499 4.255 1.00 0.00 N ATOM 236 C5 A A 15 -9.802 3.014 3.144 1.00 0.00 C ATOM 237 C6 A A 15 -10.747 1.986 2.985 1.00 0.00 C ATOM 238 N6 A A 15 -11.195 1.229 3.989 1.00 0.00 N ATOM 239 N1 A A 15 -11.225 1.758 1.742 1.00 0.00 N ATOM 240 C2 A A 15 -10.776 2.517 0.735 1.00 0.00 C ATOM 241 N3 A A 15 -9.891 3.512 0.758 1.00 0.00 N ATOM 242 C4 A A 15 -9.435 3.712 2.007 1.00 0.00 C ATOM 0 H5' A A 15 -7.989 9.479 3.035 1.00 0.00 H new ATOM 0 H5'' A A 15 -8.427 7.942 3.754 1.00 0.00 H new ATOM 0 H4' A A 15 -6.052 8.272 1.974 1.00 0.00 H new ATOM 0 H3' A A 15 -8.401 8.802 0.771 1.00 0.00 H new ATOM 0 H2' A A 15 -9.678 6.855 1.479 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.005 6.462 -0.545 1.00 0.00 H new ATOM 0 H1' A A 15 -7.300 5.091 0.820 1.00 0.00 H new ATOM 0 H8 A A 15 -7.723 5.060 4.386 1.00 0.00 H new ATOM 0 H61 A A 15 -11.882 0.497 3.809 1.00 0.00 H new ATOM 0 H62 A A 15 -10.850 1.382 4.937 1.00 0.00 H new ATOM 0 H2 A A 15 -11.191 2.290 -0.236 1.00 0.00 H new ATOM 254 P U A 16 -7.119 9.002 -1.393 1.00 0.00 P ATOM 255 OP1 U A 16 -5.866 8.974 -2.190 1.00 0.00 O ATOM 256 OP2 U A 16 -7.542 10.268 -0.738 1.00 0.00 O ATOM 257 O5' U A 16 -8.307 8.503 -2.329 1.00 0.00 O ATOM 258 C5' U A 16 -8.214 7.264 -3.027 1.00 0.00 C ATOM 259 C4' U A 16 -9.564 6.884 -3.597 1.00 0.00 C ATOM 260 O4' U A 16 -10.526 6.808 -2.507 1.00 0.00 O ATOM 261 C3' U A 16 -10.148 7.881 -4.592 1.00 0.00 C ATOM 262 O3' U A 16 -10.894 7.226 -5.611 1.00 0.00 O ATOM 263 C2' U A 16 -11.022 8.777 -3.719 1.00 0.00 C ATOM 264 O2' U A 16 -12.121 9.292 -4.445 1.00 0.00 O ATOM 265 C1' U A 16 -11.544 7.773 -2.694 1.00 0.00 C ATOM 266 N1 U A 16 -11.875 8.362 -1.386 1.00 0.00 N ATOM 267 C2 U A 16 -13.151 8.886 -1.203 1.00 0.00 C ATOM 268 O2 U A 16 -14.007 8.880 -2.075 1.00 0.00 O ATOM 269 N3 U A 16 -13.385 9.417 0.041 1.00 0.00 N ATOM 270 C4 U A 16 -12.500 9.479 1.099 1.00 0.00 C ATOM 271 O4 U A 16 -12.860 9.990 2.160 1.00 0.00 O ATOM 272 C5 U A 16 -11.213 8.918 0.830 1.00 0.00 C ATOM 273 C6 U A 16 -10.946 8.394 -0.368 1.00 0.00 C ATOM 0 H5' U A 16 -7.863 6.483 -2.352 1.00 0.00 H new ATOM 0 H5'' U A 16 -7.481 7.344 -3.830 1.00 0.00 H new ATOM 0 H4' U A 16 -9.396 5.942 -4.119 1.00 0.00 H new ATOM 0 H3' U A 16 -9.387 8.443 -5.134 1.00 0.00 H new ATOM 0 H2' U A 16 -10.488 9.637 -3.315 1.00 0.00 H new ATOM 0 HO2' U A 16 -12.923 9.274 -3.881 1.00 0.00 H new ATOM 0 H1' U A 16 -12.473 7.356 -3.082 1.00 0.00 H new ATOM 0 H3 U A 16 -14.313 9.808 0.201 1.00 0.00 H new ATOM 0 H5 U A 16 -10.454 8.918 1.599 1.00 0.00 H new ATOM 0 H6 U A 16 -9.965 7.979 -0.547 1.00 0.00 H new ATOM 284 P C A 17 -10.481 7.423 -7.152 1.00 0.00 P ATOM 285 OP1 C A 17 -10.537 8.873 -7.467 1.00 0.00 O ATOM 286 OP2 C A 17 -11.284 6.467 -7.954 1.00 0.00 O ATOM 287 O5' C A 17 -8.958 6.958 -7.207 1.00 0.00 O ATOM 288 C5' C A 17 -8.557 5.702 -6.669 1.00 0.00 C ATOM 289 C4' C A 17 -7.048 5.612 -6.615 1.00 0.00 C ATOM 290 O4' C A 17 -6.630 5.550 -5.219 1.00 0.00 O ATOM 291 C3' C A 17 -6.449 4.368 -7.265 1.00 0.00 C ATOM 292 O3' C A 17 -5.165 4.652 -7.818 1.00 0.00 O ATOM 293 C2' C A 17 -6.389 3.383 -6.102 1.00 0.00 C ATOM 294 O2' C A 17 -5.373 2.420 -6.285 1.00 0.00 O ATOM 295 C1' C A 17 -5.985 4.314 -4.966 1.00 0.00 C ATOM 296 N1 C A 17 -6.379 3.836 -3.626 1.00 0.00 N ATOM 297 C2 C A 17 -5.474 3.056 -2.887 1.00 0.00 C ATOM 298 O2 C A 17 -4.364 2.785 -3.376 1.00 0.00 O ATOM 299 N3 C A 17 -5.833 2.619 -1.659 1.00 0.00 N ATOM 300 C4 C A 17 -7.032 2.931 -1.162 1.00 0.00 C ATOM 301 N4 C A 17 -7.341 2.474 0.052 1.00 0.00 N ATOM 302 C5 C A 17 -7.968 3.725 -1.888 1.00 0.00 C ATOM 303 C6 C A 17 -7.604 4.147 -3.107 1.00 0.00 C ATOM 0 H5' C A 17 -8.955 4.893 -7.281 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.972 5.578 -5.669 1.00 0.00 H new ATOM 0 H4' C A 17 -6.698 6.489 -7.159 1.00 0.00 H new ATOM 0 H3' C A 17 -7.024 3.981 -8.106 1.00 0.00 H new ATOM 0 H2' C A 17 -7.312 2.822 -5.959 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.722 1.531 -6.067 1.00 0.00 H new ATOM 0 H1' C A 17 -4.897 4.383 -4.948 1.00 0.00 H new ATOM 0 H41 C A 17 -8.248 2.693 0.464 1.00 0.00 H new ATOM 0 H42 C A 17 -6.670 1.906 0.569 1.00 0.00 H new ATOM 0 H5 C A 17 -8.932 3.976 -1.472 1.00 0.00 H new ATOM 0 H6 C A 17 -8.291 4.743 -3.689 1.00 0.00 H new ATOM 315 P U A 18 -4.482 3.620 -8.852 1.00 0.00 P ATOM 316 OP1 U A 18 -3.680 4.431 -9.803 1.00 0.00 O ATOM 317 OP2 U A 18 -5.513 2.687 -9.375 1.00 0.00 O ATOM 318 O5' U A 18 -3.466 2.784 -7.952 1.00 0.00 O ATOM 319 C5' U A 18 -2.603 3.433 -7.018 1.00 0.00 C ATOM 320 C4' U A 18 -1.792 2.411 -6.250 1.00 0.00 C ATOM 321 O4' U A 18 -2.679 1.667 -5.367 1.00 0.00 O ATOM 322 C3' U A 18 -1.078 1.360 -7.106 1.00 0.00 C ATOM 323 O3' U A 18 0.262 1.130 -6.664 1.00 0.00 O ATOM 324 C2' U A 18 -1.945 0.114 -6.931 1.00 0.00 C ATOM 325 O2' U A 18 -1.175 -1.069 -7.021 1.00 0.00 O ATOM 326 C1' U A 18 -2.407 0.290 -5.488 1.00 0.00 C ATOM 327 N1 U A 18 -3.604 -0.476 -5.094 1.00 0.00 N ATOM 328 C2 U A 18 -3.477 -1.854 -4.933 1.00 0.00 C ATOM 329 O2 U A 18 -2.427 -2.453 -5.109 1.00 0.00 O ATOM 330 N3 U A 18 -4.627 -2.503 -4.559 1.00 0.00 N ATOM 331 C4 U A 18 -5.864 -1.940 -4.332 1.00 0.00 C ATOM 332 O4 U A 18 -6.805 -2.659 -3.995 1.00 0.00 O ATOM 333 C5 U A 18 -5.915 -0.523 -4.516 1.00 0.00 C ATOM 334 C6 U A 18 -4.818 0.147 -4.880 1.00 0.00 C ATOM 0 H5' U A 18 -3.192 4.034 -6.325 1.00 0.00 H new ATOM 0 H5'' U A 18 -1.935 4.116 -7.544 1.00 0.00 H new ATOM 0 H4' U A 18 -1.031 2.996 -5.735 1.00 0.00 H new ATOM 0 H3' U A 18 -0.976 1.668 -8.147 1.00 0.00 H new ATOM 0 H2' U A 18 -2.733 0.022 -7.679 1.00 0.00 H new ATOM 0 HO2' U A 18 -1.628 -1.791 -6.538 1.00 0.00 H new ATOM 0 H1' U A 18 -1.627 -0.091 -4.829 1.00 0.00 H new ATOM 0 H3 U A 18 -4.558 -3.513 -4.435 1.00 0.00 H new ATOM 0 H5 U A 18 -6.843 0.007 -4.360 1.00 0.00 H new ATOM 0 H6 U A 18 -4.883 1.217 -5.012 1.00 0.00 H new ATOM 345 P C A 19 1.335 2.332 -6.670 1.00 0.00 P ATOM 346 OP1 C A 19 1.093 3.163 -7.878 1.00 0.00 O ATOM 347 OP2 C A 19 2.680 1.745 -6.441 1.00 0.00 O ATOM 348 O5' C A 19 0.943 3.195 -5.388 1.00 0.00 O ATOM 349 C5' C A 19 1.855 4.134 -4.824 1.00 0.00 C ATOM 350 C4' C A 19 1.103 5.190 -4.043 1.00 0.00 C ATOM 351 O4' C A 19 -0.287 4.788 -3.913 1.00 0.00 O ATOM 352 C3' C A 19 1.586 5.402 -2.613 1.00 0.00 C ATOM 353 O3' C A 19 2.650 6.349 -2.574 1.00 0.00 O ATOM 354 C2' C A 19 0.332 5.898 -1.899 1.00 0.00 C ATOM 355 O2' C A 19 0.126 7.281 -2.122 1.00 0.00 O ATOM 356 C1' C A 19 -0.771 5.122 -2.623 1.00 0.00 C ATOM 357 N1 C A 19 -1.195 3.874 -1.949 1.00 0.00 N ATOM 358 C2 C A 19 -1.850 3.950 -0.701 1.00 0.00 C ATOM 359 O2 C A 19 -2.034 5.062 -0.175 1.00 0.00 O ATOM 360 N3 C A 19 -2.257 2.808 -0.101 1.00 0.00 N ATOM 361 C4 C A 19 -2.037 1.629 -0.687 1.00 0.00 C ATOM 362 N4 C A 19 -2.466 0.532 -0.060 1.00 0.00 N ATOM 363 C5 C A 19 -1.368 1.521 -1.942 1.00 0.00 C ATOM 364 C6 C A 19 -0.969 2.657 -2.531 1.00 0.00 C ATOM 0 H5' C A 19 2.440 4.604 -5.615 1.00 0.00 H new ATOM 0 H5'' C A 19 2.559 3.620 -4.170 1.00 0.00 H new ATOM 0 H4' C A 19 1.260 6.110 -4.606 1.00 0.00 H new ATOM 0 H3' C A 19 1.998 4.507 -2.147 1.00 0.00 H new ATOM 0 H2' C A 19 0.376 5.756 -0.819 1.00 0.00 H new ATOM 0 HO2' C A 19 0.986 7.714 -2.306 1.00 0.00 H new ATOM 0 H1' C A 19 -1.648 5.769 -2.644 1.00 0.00 H new ATOM 0 H41 C A 19 -2.315 -0.386 -0.478 1.00 0.00 H new ATOM 0 H42 C A 19 -2.944 0.612 0.837 1.00 0.00 H new ATOM 0 H5 C A 19 -1.190 0.560 -2.401 1.00 0.00 H new ATOM 0 H6 C A 19 -0.460 2.611 -3.482 1.00 0.00 H new ATOM 376 P A A 20 3.465 6.586 -1.206 1.00 0.00 P ATOM 377 OP1 A A 20 2.515 7.079 -0.177 1.00 0.00 O ATOM 378 OP2 A A 20 4.659 7.401 -1.551 1.00 0.00 O ATOM 379 O5' A A 20 3.950 5.128 -0.777 1.00 0.00 O ATOM 380 C5' A A 20 5.168 4.936 -0.055 1.00 0.00 C ATOM 381 C4' A A 20 4.962 5.239 1.416 1.00 0.00 C ATOM 382 O4' A A 20 3.564 5.024 1.748 1.00 0.00 O ATOM 383 C3' A A 20 5.761 4.363 2.376 1.00 0.00 C ATOM 384 O3' A A 20 6.284 5.089 3.479 1.00 0.00 O ATOM 385 C2' A A 20 4.781 3.278 2.795 1.00 0.00 C ATOM 386 O2' A A 20 4.998 2.884 4.135 1.00 0.00 O ATOM 387 C1' A A 20 3.446 4.006 2.722 1.00 0.00 C ATOM 388 N9 A A 20 2.355 3.117 2.318 1.00 0.00 N ATOM 389 C8 A A 20 1.249 3.443 1.584 1.00 0.00 C ATOM 390 N7 A A 20 0.442 2.433 1.360 1.00 0.00 N ATOM 391 C5 A A 20 1.068 1.364 1.987 1.00 0.00 C ATOM 392 C6 A A 20 0.729 0.006 2.115 1.00 0.00 C ATOM 393 N6 A A 20 -0.377 -0.534 1.602 1.00 0.00 N ATOM 394 N1 A A 20 1.582 -0.789 2.798 1.00 0.00 N ATOM 395 C2 A A 20 2.692 -0.247 3.314 1.00 0.00 C ATOM 396 N3 A A 20 3.107 1.007 3.272 1.00 0.00 N ATOM 397 C4 A A 20 2.244 1.771 2.584 1.00 0.00 C ATOM 0 H5' A A 20 5.945 5.583 -0.461 1.00 0.00 H new ATOM 0 H5'' A A 20 5.513 3.909 -0.177 1.00 0.00 H new ATOM 0 H4' A A 20 5.300 6.268 1.542 1.00 0.00 H new ATOM 0 H3' A A 20 6.652 3.949 1.905 1.00 0.00 H new ATOM 0 H2' A A 20 4.859 2.381 2.181 1.00 0.00 H new ATOM 0 HO2' A A 20 4.428 2.115 4.346 1.00 0.00 H new ATOM 0 H1' A A 20 3.214 4.400 3.711 1.00 0.00 H new ATOM 0 H8 A A 20 1.057 4.442 1.221 1.00 0.00 H new ATOM 0 H61 A A 20 -0.566 -1.528 1.730 1.00 0.00 H new ATOM 0 H62 A A 20 -1.034 0.047 1.081 1.00 0.00 H new ATOM 0 H2 A A 20 3.341 -0.932 3.839 1.00 0.00 H new ATOM 409 P C A 21 7.801 4.826 3.941 1.00 0.00 P ATOM 410 OP1 C A 21 7.752 4.032 5.196 1.00 0.00 O ATOM 411 OP2 C A 21 8.529 6.120 3.919 1.00 0.00 O ATOM 412 O5' C A 21 8.387 3.900 2.780 1.00 0.00 O ATOM 413 C5' C A 21 9.554 3.113 2.981 1.00 0.00 C ATOM 414 C4' C A 21 9.219 1.636 2.908 1.00 0.00 C ATOM 415 O4' C A 21 7.784 1.418 3.008 1.00 0.00 O ATOM 416 C3' C A 21 9.565 0.930 1.606 1.00 0.00 C ATOM 417 O3' C A 21 10.978 0.713 1.430 1.00 0.00 O ATOM 418 C2' C A 21 8.722 -0.342 1.702 1.00 0.00 C ATOM 419 O2' C A 21 9.276 -1.323 2.558 1.00 0.00 O ATOM 420 C1' C A 21 7.457 0.187 2.376 1.00 0.00 C ATOM 421 N1 C A 21 6.330 0.378 1.437 1.00 0.00 N ATOM 422 C2 C A 21 5.409 -0.673 1.278 1.00 0.00 C ATOM 423 O2 C A 21 5.553 -1.712 1.945 1.00 0.00 O ATOM 424 N3 C A 21 4.389 -0.531 0.405 1.00 0.00 N ATOM 425 C4 C A 21 4.260 0.597 -0.295 1.00 0.00 C ATOM 426 N4 C A 21 3.241 0.686 -1.153 1.00 0.00 N ATOM 427 C5 C A 21 5.171 1.684 -0.150 1.00 0.00 C ATOM 428 C6 C A 21 6.179 1.535 0.721 1.00 0.00 C ATOM 0 H5' C A 21 9.993 3.345 3.951 1.00 0.00 H new ATOM 0 H5'' C A 21 10.301 3.360 2.226 1.00 0.00 H new ATOM 0 H4' C A 21 9.816 1.237 3.728 1.00 0.00 H new ATOM 0 H3' C A 21 9.338 1.512 0.712 1.00 0.00 H new ATOM 0 H2' C A 21 8.608 -0.821 0.730 1.00 0.00 H new ATOM 0 HO2' C A 21 9.724 -0.885 3.311 1.00 0.00 H new ATOM 0 H1' C A 21 7.118 -0.555 3.099 1.00 0.00 H new ATOM 0 H41 C A 21 3.112 1.534 -1.705 1.00 0.00 H new ATOM 0 H42 C A 21 2.592 -0.094 -1.257 1.00 0.00 H new ATOM 0 H5 C A 21 5.053 2.593 -0.721 1.00 0.00 H new ATOM 0 H6 C A 21 6.884 2.341 0.860 1.00 0.00 H new ATOM 440 P G A 22 11.833 -0.165 2.487 1.00 0.00 P ATOM 441 OP1 G A 22 11.153 -0.216 3.807 1.00 0.00 O ATOM 442 OP2 G A 22 13.227 0.340 2.406 1.00 0.00 O ATOM 443 O5' G A 22 11.825 -1.632 1.862 1.00 0.00 O ATOM 444 C5' G A 22 12.723 -2.633 2.336 1.00 0.00 C ATOM 445 C4' G A 22 12.479 -3.943 1.620 1.00 0.00 C ATOM 446 O4' G A 22 11.052 -4.213 1.592 1.00 0.00 O ATOM 447 C3' G A 22 12.895 -3.992 0.158 1.00 0.00 C ATOM 448 O3' G A 22 14.279 -4.288 0.012 1.00 0.00 O ATOM 449 C2' G A 22 12.007 -5.098 -0.397 1.00 0.00 C ATOM 450 O2' G A 22 12.497 -6.381 -0.055 1.00 0.00 O ATOM 451 C1' G A 22 10.710 -4.850 0.371 1.00 0.00 C ATOM 452 N9 G A 22 9.760 -4.003 -0.346 1.00 0.00 N ATOM 453 C8 G A 22 9.579 -2.650 -0.196 1.00 0.00 C ATOM 454 N7 G A 22 8.660 -2.162 -0.982 1.00 0.00 N ATOM 455 C5 G A 22 8.199 -3.261 -1.694 1.00 0.00 C ATOM 456 C6 G A 22 7.197 -3.352 -2.695 1.00 0.00 C ATOM 457 O6 G A 22 6.495 -2.449 -3.167 1.00 0.00 O ATOM 458 N1 G A 22 7.047 -4.657 -3.151 1.00 0.00 N ATOM 459 C2 G A 22 7.768 -5.737 -2.705 1.00 0.00 C ATOM 460 N2 G A 22 7.475 -6.918 -3.269 1.00 0.00 N ATOM 461 N3 G A 22 8.704 -5.667 -1.772 1.00 0.00 N ATOM 462 C4 G A 22 8.867 -4.407 -1.315 1.00 0.00 C ATOM 0 H5' G A 22 12.593 -2.768 3.410 1.00 0.00 H new ATOM 0 H5'' G A 22 13.752 -2.311 2.178 1.00 0.00 H new ATOM 0 H4' G A 22 13.083 -4.658 2.179 1.00 0.00 H new ATOM 0 H3' G A 22 12.773 -3.042 -0.363 1.00 0.00 H new ATOM 0 H2' G A 22 11.928 -5.080 -1.484 1.00 0.00 H new ATOM 0 HO2' G A 22 11.903 -7.067 -0.425 1.00 0.00 H new ATOM 0 H1' G A 22 10.221 -5.813 0.519 1.00 0.00 H new ATOM 0 H8 G A 22 10.142 -2.050 0.503 1.00 0.00 H new ATOM 0 H1 G A 22 6.347 -4.825 -3.873 1.00 0.00 H new ATOM 0 H21 G A 22 7.975 -7.759 -2.981 1.00 0.00 H new ATOM 0 H22 G A 22 6.752 -6.975 -3.986 1.00 0.00 H new ATOM 474 P G A 23 15.039 -3.903 -1.352 1.00 0.00 P ATOM 475 OP1 G A 23 16.464 -4.299 -1.215 1.00 0.00 O ATOM 476 OP2 G A 23 14.699 -2.493 -1.672 1.00 0.00 O ATOM 477 O5' G A 23 14.355 -4.834 -2.452 1.00 0.00 O ATOM 478 C5' G A 23 14.635 -6.232 -2.506 1.00 0.00 C ATOM 479 C4' G A 23 13.992 -6.849 -3.730 1.00 0.00 C ATOM 480 O4' G A 23 12.552 -6.698 -3.632 1.00 0.00 O ATOM 481 C3' G A 23 14.352 -6.207 -5.063 1.00 0.00 C ATOM 482 O3' G A 23 15.574 -6.720 -5.598 1.00 0.00 O ATOM 483 C2' G A 23 13.148 -6.549 -5.935 1.00 0.00 C ATOM 484 O2' G A 23 13.228 -7.875 -6.424 1.00 0.00 O ATOM 485 C1' G A 23 12.005 -6.476 -4.921 1.00 0.00 C ATOM 486 N9 G A 23 11.303 -5.193 -4.910 1.00 0.00 N ATOM 487 C8 G A 23 11.466 -4.165 -4.013 1.00 0.00 C ATOM 488 N7 G A 23 10.695 -3.141 -4.257 1.00 0.00 N ATOM 489 C5 G A 23 9.976 -3.514 -5.384 1.00 0.00 C ATOM 490 C6 G A 23 8.981 -2.809 -6.114 1.00 0.00 C ATOM 491 O6 G A 23 8.524 -1.680 -5.902 1.00 0.00 O ATOM 492 N1 G A 23 8.511 -3.556 -7.190 1.00 0.00 N ATOM 493 C2 G A 23 8.942 -4.816 -7.524 1.00 0.00 C ATOM 494 N2 G A 23 8.367 -5.371 -8.601 1.00 0.00 N ATOM 495 N3 G A 23 9.867 -5.483 -6.854 1.00 0.00 N ATOM 496 C4 G A 23 10.338 -4.778 -5.802 1.00 0.00 C ATOM 0 H5' G A 23 14.262 -6.720 -1.606 1.00 0.00 H new ATOM 0 H5'' G A 23 15.713 -6.393 -2.532 1.00 0.00 H new ATOM 0 H4' G A 23 14.357 -7.876 -3.731 1.00 0.00 H new ATOM 0 H3' G A 23 14.534 -5.135 -4.988 1.00 0.00 H new ATOM 0 H2' G A 23 13.052 -5.899 -6.805 1.00 0.00 H new ATOM 0 HO2' G A 23 14.150 -8.198 -6.343 1.00 0.00 H new ATOM 0 HO3' G A 23 15.766 -6.282 -6.454 1.00 0.00 H new ATOM 0 H1' G A 23 11.272 -7.231 -5.206 1.00 0.00 H new ATOM 0 H8 G A 23 12.163 -4.201 -3.188 1.00 0.00 H new ATOM 0 H1 G A 23 7.790 -3.135 -7.776 1.00 0.00 H new ATOM 0 H21 G A 23 8.643 -6.306 -8.902 1.00 0.00 H new ATOM 0 H22 G A 23 7.654 -4.858 -9.119 1.00 0.00 H new TER 508 G A 23