USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 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 -29:sc= 0.0913 USER MOD Single : A 1 G O5' : rot -27:sc= 0.0727 USER MOD Single : A 2 A O2' : rot 180:sc= -1.23! USER MOD Single : A 3 G O2' : rot -17:sc= 0.0953 USER MOD Single : A 4 A O2' : rot 180:sc= -1.13 USER MOD Single : A 5 G O2' : rot -30:sc= 0.0684 USER MOD Single : A 6 U O2' : rot -164:sc= -2.9! USER MOD Single : A 7 U O2' : rot 180:sc= -0.318 USER MOD Single : A 8 G O2' : rot 26:sc= 0.223 USER MOD Single : A 9 G O2' : rot 16:sc= 0.267 USER MOD Single : A 10 G O2' : rot 132:sc= -3.1! USER MOD Single : A 11 C O2' : rot -136:sc= 1.25 USER MOD Single : A 12 U O2' : rot 180:sc= -4.54! USER MOD Single : A 13 C O2' : rot 180:sc= -1.54! USER MOD Single : A 14 U O2' : rot -24:sc= 0.0913 USER MOD Single : A 15 C O2' : rot -17:sc= 0.0973 USER MOD Single : A 15 C O3' : rot 180:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.043 -12.432 -6.978 1.00 0.00 O ATOM 2 C5' G A 1 -4.657 -11.237 -6.491 1.00 0.00 C ATOM 3 C4' G A 1 -5.295 -11.476 -5.143 1.00 0.00 C ATOM 4 O4' G A 1 -4.317 -12.097 -4.266 1.00 0.00 O ATOM 5 C3' G A 1 -5.738 -10.224 -4.400 1.00 0.00 C ATOM 6 O3' G A 1 -7.052 -9.834 -4.784 1.00 0.00 O ATOM 7 C2' G A 1 -5.661 -10.656 -2.941 1.00 0.00 C ATOM 8 O2' G A 1 -6.790 -11.424 -2.573 1.00 0.00 O ATOM 9 C1' G A 1 -4.437 -11.567 -2.958 1.00 0.00 C ATOM 10 N9 G A 1 -3.184 -10.897 -2.624 1.00 0.00 N ATOM 11 C8 G A 1 -2.722 -9.695 -3.103 1.00 0.00 C ATOM 12 N7 G A 1 -1.532 -9.389 -2.663 1.00 0.00 N ATOM 13 C5 G A 1 -1.203 -10.437 -1.813 1.00 0.00 C ATOM 14 C6 G A 1 -0.039 -10.660 -1.031 1.00 0.00 C ATOM 15 O6 G A 1 0.977 -9.960 -0.940 1.00 0.00 O ATOM 16 N1 G A 1 -0.129 -11.841 -0.307 1.00 0.00 N ATOM 17 C2 G A 1 -1.196 -12.701 -0.332 1.00 0.00 C ATOM 18 N2 G A 1 -1.097 -13.783 0.441 1.00 0.00 N ATOM 19 N3 G A 1 -2.282 -12.512 -1.058 1.00 0.00 N ATOM 20 C4 G A 1 -2.219 -11.367 -1.768 1.00 0.00 C ATOM 0 H5' G A 1 -5.411 -10.894 -7.200 1.00 0.00 H new ATOM 0 H5'' G A 1 -3.912 -10.446 -6.411 1.00 0.00 H new ATOM 0 H4' G A 1 -6.175 -12.081 -5.361 1.00 0.00 H new ATOM 0 H3' G A 1 -5.125 -9.347 -4.610 1.00 0.00 H new ATOM 0 H2' G A 1 -5.615 -9.817 -2.247 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.562 -11.148 -3.109 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.774 -12.993 -6.221 1.00 0.00 H new ATOM 0 H1' G A 1 -4.595 -12.329 -2.194 1.00 0.00 H new ATOM 0 H8 G A 1 -3.287 -9.067 -3.776 1.00 0.00 H new ATOM 0 H1 G A 1 0.660 -12.088 0.290 1.00 0.00 H new ATOM 0 H21 G A 1 -1.857 -14.462 0.467 1.00 0.00 H new ATOM 0 H22 G A 1 -0.261 -13.931 1.006 1.00 0.00 H new ATOM 33 P A A 2 -7.518 -8.306 -4.597 1.00 0.00 P ATOM 34 OP1 A A 2 -8.923 -8.214 -5.067 1.00 0.00 O ATOM 35 OP2 A A 2 -6.484 -7.424 -5.200 1.00 0.00 O ATOM 36 O5' A A 2 -7.510 -8.093 -3.018 1.00 0.00 O ATOM 37 C5' A A 2 -6.355 -7.594 -2.351 1.00 0.00 C ATOM 38 C4' A A 2 -6.315 -8.104 -0.931 1.00 0.00 C ATOM 39 O4' A A 2 -5.240 -9.077 -0.794 1.00 0.00 O ATOM 40 C3' A A 2 -6.006 -7.040 0.110 1.00 0.00 C ATOM 41 O3' A A 2 -7.191 -6.378 0.539 1.00 0.00 O ATOM 42 C2' A A 2 -5.345 -7.848 1.218 1.00 0.00 C ATOM 43 O2' A A 2 -6.299 -8.580 1.964 1.00 0.00 O ATOM 44 C1' A A 2 -4.511 -8.819 0.394 1.00 0.00 C ATOM 45 N9 A A 2 -3.206 -8.277 0.028 1.00 0.00 N ATOM 46 C8 A A 2 -2.916 -7.489 -1.054 1.00 0.00 C ATOM 47 N7 A A 2 -1.657 -7.135 -1.128 1.00 0.00 N ATOM 48 C5 A A 2 -1.078 -7.736 -0.020 1.00 0.00 C ATOM 49 C6 A A 2 0.237 -7.748 0.468 1.00 0.00 C ATOM 50 N6 A A 2 1.247 -7.108 -0.120 1.00 0.00 N ATOM 51 N1 A A 2 0.482 -8.448 1.598 1.00 0.00 N ATOM 52 C2 A A 2 -0.537 -9.083 2.191 1.00 0.00 C ATOM 53 N3 A A 2 -1.815 -9.144 1.830 1.00 0.00 N ATOM 54 C4 A A 2 -2.021 -8.443 0.702 1.00 0.00 C ATOM 0 H5' A A 2 -6.366 -6.504 -2.354 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.456 -7.905 -2.883 1.00 0.00 H new ATOM 0 H4' A A 2 -7.312 -8.507 -0.754 1.00 0.00 H new ATOM 0 H3' A A 2 -5.371 -6.232 -0.254 1.00 0.00 H new ATOM 0 H2' A A 2 -4.800 -7.240 1.940 1.00 0.00 H new ATOM 0 HO2' A A 2 -5.844 -9.090 2.667 1.00 0.00 H new ATOM 0 H1' A A 2 -4.329 -9.715 0.987 1.00 0.00 H new ATOM 0 H8 A A 2 -3.657 -7.187 -1.779 1.00 0.00 H new ATOM 0 H61 A A 2 2.183 -7.154 0.283 1.00 0.00 H new ATOM 0 H62 A A 2 1.084 -6.572 -0.973 1.00 0.00 H new ATOM 0 H2 A A 2 -0.284 -9.623 3.092 1.00 0.00 H new ATOM 66 P G A 3 -7.177 -4.792 0.804 1.00 0.00 P ATOM 67 OP1 G A 3 -8.555 -4.296 0.560 1.00 0.00 O ATOM 68 OP2 G A 3 -6.039 -4.188 0.063 1.00 0.00 O ATOM 69 O5' G A 3 -6.878 -4.662 2.365 1.00 0.00 O ATOM 70 C5' G A 3 -6.873 -5.808 3.217 1.00 0.00 C ATOM 71 C4' G A 3 -6.056 -5.529 4.458 1.00 0.00 C ATOM 72 O4' G A 3 -4.782 -6.229 4.357 1.00 0.00 O ATOM 73 C3' G A 3 -5.693 -4.064 4.660 1.00 0.00 C ATOM 74 O3' G A 3 -6.695 -3.387 5.412 1.00 0.00 O ATOM 75 C2' G A 3 -4.357 -4.142 5.387 1.00 0.00 C ATOM 76 O2' G A 3 -4.538 -4.428 6.761 1.00 0.00 O ATOM 77 C1' G A 3 -3.725 -5.355 4.711 1.00 0.00 C ATOM 78 N9 G A 3 -2.967 -5.045 3.504 1.00 0.00 N ATOM 79 C8 G A 3 -3.481 -4.718 2.276 1.00 0.00 C ATOM 80 N7 G A 3 -2.564 -4.518 1.369 1.00 0.00 N ATOM 81 C5 G A 3 -1.367 -4.717 2.046 1.00 0.00 C ATOM 82 C6 G A 3 -0.025 -4.635 1.586 1.00 0.00 C ATOM 83 O6 G A 3 0.387 -4.365 0.453 1.00 0.00 O ATOM 84 N1 G A 3 0.883 -4.907 2.605 1.00 0.00 N ATOM 85 C2 G A 3 0.544 -5.219 3.898 1.00 0.00 C ATOM 86 N2 G A 3 1.564 -5.450 4.734 1.00 0.00 N ATOM 87 N3 G A 3 -0.701 -5.297 4.339 1.00 0.00 N ATOM 88 C4 G A 3 -1.599 -5.037 3.366 1.00 0.00 C ATOM 0 H5' G A 3 -6.459 -6.665 2.685 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.894 -6.068 3.495 1.00 0.00 H new ATOM 0 H4' G A 3 -6.683 -5.855 5.288 1.00 0.00 H new ATOM 0 H3' G A 3 -5.624 -3.493 3.734 1.00 0.00 H new ATOM 0 H2' G A 3 -3.780 -3.218 5.338 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.470 -4.255 7.011 1.00 0.00 H new ATOM 0 H1' G A 3 -3.014 -5.788 5.415 1.00 0.00 H new ATOM 0 H8 G A 3 -4.540 -4.634 2.079 1.00 0.00 H new ATOM 0 H1 G A 3 1.876 -4.872 2.373 1.00 0.00 H new ATOM 0 H21 G A 3 1.381 -5.687 5.709 1.00 0.00 H new ATOM 0 H22 G A 3 2.524 -5.389 4.396 1.00 0.00 H new ATOM 100 P A A 4 -7.176 -1.919 4.964 1.00 0.00 P ATOM 101 OP1 A A 4 -8.279 -1.500 5.865 1.00 0.00 O ATOM 102 OP2 A A 4 -7.398 -1.944 3.495 1.00 0.00 O ATOM 103 O5' A A 4 -5.906 -1.005 5.267 1.00 0.00 O ATOM 104 C5' A A 4 -4.801 -0.952 4.365 1.00 0.00 C ATOM 105 C4' A A 4 -3.506 -0.980 5.140 1.00 0.00 C ATOM 106 O4' A A 4 -2.646 -2.010 4.585 1.00 0.00 O ATOM 107 C3' A A 4 -2.676 0.295 5.088 1.00 0.00 C ATOM 108 O3' A A 4 -3.089 1.211 6.103 1.00 0.00 O ATOM 109 C2' A A 4 -1.256 -0.221 5.303 1.00 0.00 C ATOM 110 O2' A A 4 -1.006 -0.475 6.672 1.00 0.00 O ATOM 111 C1' A A 4 -1.303 -1.560 4.567 1.00 0.00 C ATOM 112 N9 A A 4 -0.874 -1.503 3.171 1.00 0.00 N ATOM 113 C8 A A 4 -1.683 -1.595 2.070 1.00 0.00 C ATOM 114 N7 A A 4 -1.038 -1.529 0.931 1.00 0.00 N ATOM 115 C5 A A 4 0.289 -1.383 1.308 1.00 0.00 C ATOM 116 C6 A A 4 1.475 -1.262 0.564 1.00 0.00 C ATOM 117 N6 A A 4 1.513 -1.269 -0.769 1.00 0.00 N ATOM 118 N1 A A 4 2.634 -1.134 1.247 1.00 0.00 N ATOM 119 C2 A A 4 2.591 -1.124 2.586 1.00 0.00 C ATOM 120 N3 A A 4 1.538 -1.230 3.396 1.00 0.00 N ATOM 121 C4 A A 4 0.405 -1.360 2.687 1.00 0.00 C ATOM 0 H5' A A 4 -4.855 -0.045 3.762 1.00 0.00 H new ATOM 0 H5'' A A 4 -4.841 -1.796 3.676 1.00 0.00 H new ATOM 0 H4' A A 4 -3.816 -1.143 6.172 1.00 0.00 H new ATOM 0 H3' A A 4 -2.777 0.856 4.159 1.00 0.00 H new ATOM 0 H2' A A 4 -0.491 0.479 4.966 1.00 0.00 H new ATOM 0 HO2' A A 4 -0.090 -0.806 6.781 1.00 0.00 H new ATOM 0 H1' A A 4 -0.608 -2.225 5.080 1.00 0.00 H new ATOM 0 H8 A A 4 -2.755 -1.711 2.134 1.00 0.00 H new ATOM 0 H61 A A 4 2.405 -1.177 -1.254 1.00 0.00 H new ATOM 0 H62 A A 4 0.650 -1.366 -1.303 1.00 0.00 H new ATOM 0 H2 A A 4 3.546 -1.014 3.079 1.00 0.00 H new ATOM 133 P G A 5 -3.052 2.797 5.822 1.00 0.00 P ATOM 134 OP1 G A 5 -3.983 3.453 6.775 1.00 0.00 O ATOM 135 OP2 G A 5 -3.220 3.016 4.363 1.00 0.00 O ATOM 136 O5' G A 5 -1.567 3.220 6.212 1.00 0.00 O ATOM 137 C5' G A 5 -0.916 2.654 7.346 1.00 0.00 C ATOM 138 C4' G A 5 0.579 2.814 7.219 1.00 0.00 C ATOM 139 O4' G A 5 1.091 1.779 6.333 1.00 0.00 O ATOM 140 C3' G A 5 1.045 4.117 6.583 1.00 0.00 C ATOM 141 O3' G A 5 1.141 5.173 7.536 1.00 0.00 O ATOM 142 C2' G A 5 2.399 3.725 6.007 1.00 0.00 C ATOM 143 O2' G A 5 3.380 3.634 7.023 1.00 0.00 O ATOM 144 C1' G A 5 2.092 2.323 5.491 1.00 0.00 C ATOM 145 N9 G A 5 1.606 2.294 4.113 1.00 0.00 N ATOM 146 C8 G A 5 0.301 2.359 3.684 1.00 0.00 C ATOM 147 N7 G A 5 0.180 2.261 2.390 1.00 0.00 N ATOM 148 C5 G A 5 1.485 2.149 1.932 1.00 0.00 C ATOM 149 C6 G A 5 1.987 2.025 0.614 1.00 0.00 C ATOM 150 O6 G A 5 1.358 1.956 -0.444 1.00 0.00 O ATOM 151 N1 G A 5 3.372 1.967 0.596 1.00 0.00 N ATOM 152 C2 G A 5 4.176 2.000 1.709 1.00 0.00 C ATOM 153 N2 G A 5 5.492 1.918 1.495 1.00 0.00 N ATOM 154 N3 G A 5 3.722 2.106 2.946 1.00 0.00 N ATOM 155 C4 G A 5 2.377 2.180 2.983 1.00 0.00 C ATOM 0 H5' G A 5 -1.171 1.598 7.432 1.00 0.00 H new ATOM 0 H5'' G A 5 -1.266 3.141 8.256 1.00 0.00 H new ATOM 0 H4' G A 5 0.942 2.772 8.246 1.00 0.00 H new ATOM 0 H3' G A 5 0.357 4.511 5.835 1.00 0.00 H new ATOM 0 H2' G A 5 2.785 4.430 5.271 1.00 0.00 H new ATOM 0 HO2' G A 5 3.163 4.261 7.744 1.00 0.00 H new ATOM 0 H1' G A 5 3.020 1.752 5.502 1.00 0.00 H new ATOM 0 H8 G A 5 -0.539 2.479 4.352 1.00 0.00 H new ATOM 0 H1 G A 5 3.829 1.894 -0.313 1.00 0.00 H new ATOM 0 H21 G A 5 6.139 1.937 2.283 1.00 0.00 H new ATOM 0 H22 G A 5 5.850 1.836 0.543 1.00 0.00 H new ATOM 167 P U A 6 0.091 6.394 7.486 1.00 0.00 P ATOM 168 OP1 U A 6 0.156 7.102 8.790 1.00 0.00 O ATOM 169 OP2 U A 6 -1.209 5.857 7.008 1.00 0.00 O ATOM 170 O5' U A 6 0.666 7.368 6.359 1.00 0.00 O ATOM 171 C5' U A 6 1.665 6.926 5.439 1.00 0.00 C ATOM 172 C4' U A 6 1.471 7.586 4.095 1.00 0.00 C ATOM 173 O4' U A 6 1.737 6.626 3.048 1.00 0.00 O ATOM 174 C3' U A 6 0.061 8.065 3.791 1.00 0.00 C ATOM 175 O3' U A 6 -0.163 9.369 4.317 1.00 0.00 O ATOM 176 C2' U A 6 -0.011 8.051 2.262 1.00 0.00 C ATOM 177 O2' U A 6 0.351 9.309 1.728 1.00 0.00 O ATOM 178 C1' U A 6 1.062 7.029 1.875 1.00 0.00 C ATOM 179 N1 U A 6 0.483 5.852 1.212 1.00 0.00 N ATOM 180 C2 U A 6 1.101 5.382 0.065 1.00 0.00 C ATOM 181 O2 U A 6 2.129 5.862 -0.383 1.00 0.00 O ATOM 182 N3 U A 6 0.469 4.326 -0.539 1.00 0.00 N ATOM 183 C4 U A 6 -0.693 3.708 -0.127 1.00 0.00 C ATOM 184 O4 U A 6 -1.169 2.798 -0.805 1.00 0.00 O ATOM 185 C5 U A 6 -1.252 4.237 1.076 1.00 0.00 C ATOM 186 C6 U A 6 -0.659 5.258 1.698 1.00 0.00 C ATOM 0 H5' U A 6 1.614 5.843 5.330 1.00 0.00 H new ATOM 0 H5'' U A 6 2.656 7.161 5.827 1.00 0.00 H new ATOM 0 H4' U A 6 2.142 8.444 4.132 1.00 0.00 H new ATOM 0 H3' U A 6 -0.706 7.438 4.246 1.00 0.00 H new ATOM 0 H2' U A 6 -1.011 7.820 1.895 1.00 0.00 H new ATOM 0 HO2' U A 6 0.065 9.362 0.792 1.00 0.00 H new ATOM 0 H1' U A 6 1.750 7.496 1.170 1.00 0.00 H new ATOM 0 H3 U A 6 0.905 3.958 -1.384 1.00 0.00 H new ATOM 0 H5 U A 6 -2.157 3.810 1.483 1.00 0.00 H new ATOM 0 H6 U A 6 -1.091 5.631 2.615 1.00 0.00 H new ATOM 197 P U A 7 -1.597 9.751 4.939 1.00 0.00 P ATOM 198 OP1 U A 7 -1.377 10.158 6.350 1.00 0.00 O ATOM 199 OP2 U A 7 -2.562 8.664 4.630 1.00 0.00 O ATOM 200 O5' U A 7 -2.020 11.042 4.106 1.00 0.00 O ATOM 201 C5' U A 7 -1.797 11.100 2.698 1.00 0.00 C ATOM 202 C4' U A 7 -1.403 12.497 2.283 1.00 0.00 C ATOM 203 O4' U A 7 -0.685 13.142 3.376 1.00 0.00 O ATOM 204 C3' U A 7 -0.436 12.539 1.109 1.00 0.00 C ATOM 205 O3' U A 7 -0.566 13.732 0.343 1.00 0.00 O ATOM 206 C2' U A 7 0.919 12.455 1.795 1.00 0.00 C ATOM 207 O2' U A 7 1.938 13.039 1.005 1.00 0.00 O ATOM 208 C1' U A 7 0.668 13.345 3.006 1.00 0.00 C ATOM 209 N1 U A 7 1.518 13.052 4.169 1.00 0.00 N ATOM 210 C2 U A 7 2.434 14.013 4.556 1.00 0.00 C ATOM 211 O2 U A 7 2.562 15.078 3.978 1.00 0.00 O ATOM 212 N3 U A 7 3.195 13.683 5.648 1.00 0.00 N ATOM 213 C4 U A 7 3.137 12.516 6.377 1.00 0.00 C ATOM 214 O4 U A 7 3.891 12.366 7.338 1.00 0.00 O ATOM 215 C5 U A 7 2.168 11.574 5.914 1.00 0.00 C ATOM 216 C6 U A 7 1.409 11.862 4.852 1.00 0.00 C ATOM 0 H5' U A 7 -2.700 10.798 2.168 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.013 10.396 2.419 1.00 0.00 H new ATOM 0 H4' U A 7 -2.337 12.988 2.010 1.00 0.00 H new ATOM 0 H3' U A 7 -0.609 11.742 0.386 1.00 0.00 H new ATOM 0 H2' U A 7 1.244 11.436 2.003 1.00 0.00 H new ATOM 0 HO2' U A 7 2.796 12.970 1.474 1.00 0.00 H new ATOM 0 H1' U A 7 0.902 14.371 2.721 1.00 0.00 H new ATOM 0 H3 U A 7 3.878 14.377 5.953 1.00 0.00 H new ATOM 0 H5 U A 7 2.049 10.629 6.422 1.00 0.00 H new ATOM 0 H6 U A 7 0.684 11.135 4.518 1.00 0.00 H new ATOM 227 P G A 8 -0.425 13.674 -1.258 1.00 0.00 P ATOM 228 OP1 G A 8 0.884 14.273 -1.624 1.00 0.00 O ATOM 229 OP2 G A 8 -1.675 14.234 -1.831 1.00 0.00 O ATOM 230 O5' G A 8 -0.379 12.117 -1.596 1.00 0.00 O ATOM 231 C5' G A 8 0.789 11.333 -1.339 1.00 0.00 C ATOM 232 C4' G A 8 0.559 9.905 -1.776 1.00 0.00 C ATOM 233 O4' G A 8 -0.410 9.306 -0.873 1.00 0.00 O ATOM 234 C3' G A 8 -0.036 9.727 -3.168 1.00 0.00 C ATOM 235 O3' G A 8 0.332 8.477 -3.747 1.00 0.00 O ATOM 236 C2' G A 8 -1.536 9.811 -2.909 1.00 0.00 C ATOM 237 O2' G A 8 -2.256 9.039 -3.849 1.00 0.00 O ATOM 238 C1' G A 8 -1.647 9.143 -1.538 1.00 0.00 C ATOM 239 N9 G A 8 -2.700 9.702 -0.694 1.00 0.00 N ATOM 240 C8 G A 8 -3.063 11.023 -0.584 1.00 0.00 C ATOM 241 N7 G A 8 -4.049 11.219 0.246 1.00 0.00 N ATOM 242 C5 G A 8 -4.358 9.949 0.715 1.00 0.00 C ATOM 243 C6 G A 8 -5.344 9.526 1.644 1.00 0.00 C ATOM 244 O6 G A 8 -6.172 10.212 2.257 1.00 0.00 O ATOM 245 N1 G A 8 -5.312 8.149 1.834 1.00 0.00 N ATOM 246 C2 G A 8 -4.444 7.289 1.213 1.00 0.00 C ATOM 247 N2 G A 8 -4.571 5.993 1.527 1.00 0.00 N ATOM 248 N3 G A 8 -3.519 7.667 0.346 1.00 0.00 N ATOM 249 C4 G A 8 -3.533 9.002 0.146 1.00 0.00 C ATOM 0 H5' G A 8 1.030 11.362 -0.276 1.00 0.00 H new ATOM 0 H5'' G A 8 1.643 11.752 -1.872 1.00 0.00 H new ATOM 0 H4' G A 8 1.549 9.449 -1.773 1.00 0.00 H new ATOM 0 H3' G A 8 0.318 10.470 -3.882 1.00 0.00 H new ATOM 0 H2' G A 8 -1.929 10.826 -2.969 1.00 0.00 H new ATOM 0 HO2' G A 8 -1.685 8.318 -4.186 1.00 0.00 H new ATOM 0 H1' G A 8 -1.901 8.097 -1.708 1.00 0.00 H new ATOM 0 H8 G A 8 -2.580 11.819 -1.131 1.00 0.00 H new ATOM 0 H1 G A 8 -5.986 7.748 2.486 1.00 0.00 H new ATOM 0 H21 G A 8 -3.955 5.302 1.099 1.00 0.00 H new ATOM 0 H22 G A 8 -5.284 5.697 2.194 1.00 0.00 H new ATOM 261 P G A 9 1.718 8.342 -4.555 1.00 0.00 P ATOM 262 OP1 G A 9 2.481 7.236 -3.922 1.00 0.00 O ATOM 263 OP2 G A 9 2.340 9.686 -4.673 1.00 0.00 O ATOM 264 O5' G A 9 1.270 7.870 -6.010 1.00 0.00 O ATOM 265 C5' G A 9 1.991 6.858 -6.713 1.00 0.00 C ATOM 266 C4' G A 9 1.559 6.821 -8.163 1.00 0.00 C ATOM 267 O4' G A 9 1.566 8.174 -8.690 1.00 0.00 O ATOM 268 C3' G A 9 2.462 6.026 -9.099 1.00 0.00 C ATOM 269 O3' G A 9 1.727 5.469 -10.187 1.00 0.00 O ATOM 270 C2' G A 9 3.488 7.056 -9.564 1.00 0.00 C ATOM 271 O2' G A 9 3.897 6.795 -10.892 1.00 0.00 O ATOM 272 C1' G A 9 2.667 8.347 -9.560 1.00 0.00 C ATOM 273 N9 G A 9 3.423 9.511 -9.108 1.00 0.00 N ATOM 274 C8 G A 9 3.822 9.789 -7.824 1.00 0.00 C ATOM 275 N7 G A 9 4.486 10.907 -7.721 1.00 0.00 N ATOM 276 C5 G A 9 4.526 11.401 -9.019 1.00 0.00 C ATOM 277 C6 G A 9 5.111 12.587 -9.534 1.00 0.00 C ATOM 278 O6 G A 9 5.730 13.468 -8.927 1.00 0.00 O ATOM 279 N1 G A 9 4.919 12.698 -10.906 1.00 0.00 N ATOM 280 C2 G A 9 4.251 11.786 -11.685 1.00 0.00 C ATOM 281 N2 G A 9 4.173 12.072 -12.990 1.00 0.00 N ATOM 282 N3 G A 9 3.700 10.678 -11.219 1.00 0.00 N ATOM 283 C4 G A 9 3.875 10.550 -9.887 1.00 0.00 C ATOM 0 H5' G A 9 1.816 5.887 -6.249 1.00 0.00 H new ATOM 0 H5'' G A 9 3.062 7.053 -6.650 1.00 0.00 H new ATOM 0 H4' G A 9 0.581 6.340 -8.142 1.00 0.00 H new ATOM 0 H3' G A 9 2.926 5.167 -8.615 1.00 0.00 H new ATOM 0 H2' G A 9 4.386 7.071 -8.947 1.00 0.00 H new ATOM 0 HO2' G A 9 3.263 6.179 -11.315 1.00 0.00 H new ATOM 0 H1' G A 9 2.359 8.535 -10.589 1.00 0.00 H new ATOM 0 H8 G A 9 3.607 9.146 -6.983 1.00 0.00 H new ATOM 0 H1 G A 9 5.304 13.521 -11.370 1.00 0.00 H new ATOM 0 H21 G A 9 3.690 11.435 -13.624 1.00 0.00 H new ATOM 0 H22 G A 9 4.597 12.927 -13.351 1.00 0.00 H new ATOM 295 P G A 10 1.655 3.872 -10.371 1.00 0.00 P ATOM 296 OP1 G A 10 1.619 3.599 -11.831 1.00 0.00 O ATOM 297 OP2 G A 10 0.571 3.352 -9.501 1.00 0.00 O ATOM 298 O5' G A 10 3.050 3.356 -9.797 1.00 0.00 O ATOM 299 C5' G A 10 4.247 3.445 -10.570 1.00 0.00 C ATOM 300 C4' G A 10 5.420 3.780 -9.675 1.00 0.00 C ATOM 301 O4' G A 10 4.917 4.469 -8.498 1.00 0.00 O ATOM 302 C3' G A 10 6.208 2.590 -9.138 1.00 0.00 C ATOM 303 O3' G A 10 7.578 2.927 -8.939 1.00 0.00 O ATOM 304 C2' G A 10 5.489 2.261 -7.835 1.00 0.00 C ATOM 305 O2' G A 10 6.366 1.703 -6.876 1.00 0.00 O ATOM 306 C1' G A 10 5.074 3.650 -7.355 1.00 0.00 C ATOM 307 N9 G A 10 3.814 3.629 -6.622 1.00 0.00 N ATOM 308 C8 G A 10 2.602 3.171 -7.076 1.00 0.00 C ATOM 309 N7 G A 10 1.658 3.238 -6.181 1.00 0.00 N ATOM 310 C5 G A 10 2.282 3.780 -5.067 1.00 0.00 C ATOM 311 C6 G A 10 1.766 4.090 -3.789 1.00 0.00 C ATOM 312 O6 G A 10 0.611 3.951 -3.372 1.00 0.00 O ATOM 313 N1 G A 10 2.747 4.618 -2.956 1.00 0.00 N ATOM 314 C2 G A 10 4.049 4.836 -3.314 1.00 0.00 C ATOM 315 N2 G A 10 4.836 5.358 -2.368 1.00 0.00 N ATOM 316 N3 G A 10 4.544 4.562 -4.507 1.00 0.00 N ATOM 317 C4 G A 10 3.612 4.035 -5.327 1.00 0.00 C ATOM 0 H5' G A 10 4.136 4.209 -11.339 1.00 0.00 H new ATOM 0 H5'' G A 10 4.429 2.501 -11.083 1.00 0.00 H new ATOM 0 H4' G A 10 6.089 4.364 -10.306 1.00 0.00 H new ATOM 0 H3' G A 10 6.237 1.740 -9.820 1.00 0.00 H new ATOM 0 H2' G A 10 4.682 1.541 -7.970 1.00 0.00 H new ATOM 0 HO2' G A 10 6.245 2.160 -6.017 1.00 0.00 H new ATOM 0 H1' G A 10 5.842 4.027 -6.679 1.00 0.00 H new ATOM 0 H8 G A 10 2.447 2.793 -8.076 1.00 0.00 H new ATOM 0 H1 G A 10 2.474 4.862 -2.004 1.00 0.00 H new ATOM 0 H21 G A 10 5.818 5.546 -2.568 1.00 0.00 H new ATOM 0 H22 G A 10 4.454 5.568 -1.446 1.00 0.00 H new ATOM 329 P C A 11 8.673 1.760 -8.769 1.00 0.00 P ATOM 330 OP1 C A 11 9.941 2.258 -9.359 1.00 0.00 O ATOM 331 OP2 C A 11 8.093 0.482 -9.252 1.00 0.00 O ATOM 332 O5' C A 11 8.868 1.651 -7.192 1.00 0.00 O ATOM 333 C5' C A 11 9.500 2.696 -6.459 1.00 0.00 C ATOM 334 C4' C A 11 9.519 2.368 -4.982 1.00 0.00 C ATOM 335 O4' C A 11 8.399 3.008 -4.322 1.00 0.00 O ATOM 336 C3' C A 11 9.327 0.910 -4.599 1.00 0.00 C ATOM 337 O3' C A 11 10.507 0.133 -4.782 1.00 0.00 O ATOM 338 C2' C A 11 8.938 1.018 -3.129 1.00 0.00 C ATOM 339 O2' C A 11 10.076 1.221 -2.313 1.00 0.00 O ATOM 340 C1' C A 11 8.109 2.306 -3.126 1.00 0.00 C ATOM 341 N1 C A 11 6.659 2.063 -3.048 1.00 0.00 N ATOM 342 C2 C A 11 6.065 1.985 -1.787 1.00 0.00 C ATOM 343 O2 C A 11 6.776 2.127 -0.782 1.00 0.00 O ATOM 344 N3 C A 11 4.737 1.757 -1.692 1.00 0.00 N ATOM 345 C4 C A 11 4.007 1.608 -2.799 1.00 0.00 C ATOM 346 N4 C A 11 2.704 1.374 -2.661 1.00 0.00 N ATOM 347 C5 C A 11 4.582 1.688 -4.097 1.00 0.00 C ATOM 348 C6 C A 11 5.901 1.914 -4.178 1.00 0.00 C ATOM 0 H5' C A 11 8.971 3.635 -6.623 1.00 0.00 H new ATOM 0 H5'' C A 11 10.519 2.837 -6.820 1.00 0.00 H new ATOM 0 H4' C A 11 10.516 2.697 -4.688 1.00 0.00 H new ATOM 0 H3' C A 11 8.588 0.398 -5.216 1.00 0.00 H new ATOM 0 H2' C A 11 8.433 0.128 -2.753 1.00 0.00 H new ATOM 0 HO2' C A 11 10.014 0.651 -1.518 1.00 0.00 H new ATOM 0 H1' C A 11 8.377 2.878 -2.237 1.00 0.00 H new ATOM 0 H41 C A 11 2.117 1.255 -3.487 1.00 0.00 H new ATOM 0 H42 C A 11 2.293 1.314 -1.730 1.00 0.00 H new ATOM 0 H5 C A 11 3.978 1.571 -4.985 1.00 0.00 H new ATOM 0 H6 C A 11 6.372 1.979 -5.148 1.00 0.00 H new ATOM 360 P U A 12 10.427 -1.471 -4.677 1.00 0.00 P ATOM 361 OP1 U A 12 11.757 -2.008 -5.064 1.00 0.00 O ATOM 362 OP2 U A 12 9.213 -1.926 -5.401 1.00 0.00 O ATOM 363 O5' U A 12 10.209 -1.749 -3.122 1.00 0.00 O ATOM 364 C5' U A 12 11.289 -1.642 -2.196 1.00 0.00 C ATOM 365 C4' U A 12 10.772 -1.697 -0.775 1.00 0.00 C ATOM 366 O4' U A 12 9.625 -0.820 -0.646 1.00 0.00 O ATOM 367 C3' U A 12 10.250 -3.049 -0.315 1.00 0.00 C ATOM 368 O3' U A 12 11.314 -3.890 0.123 1.00 0.00 O ATOM 369 C2' U A 12 9.301 -2.671 0.819 1.00 0.00 C ATOM 370 O2' U A 12 10.011 -2.422 2.017 1.00 0.00 O ATOM 371 C1' U A 12 8.729 -1.344 0.318 1.00 0.00 C ATOM 372 N1 U A 12 7.401 -1.464 -0.300 1.00 0.00 N ATOM 373 C2 U A 12 6.292 -1.363 0.523 1.00 0.00 C ATOM 374 O2 U A 12 6.375 -1.200 1.728 1.00 0.00 O ATOM 375 N3 U A 12 5.083 -1.462 -0.117 1.00 0.00 N ATOM 376 C4 U A 12 4.874 -1.644 -1.467 1.00 0.00 C ATOM 377 O4 U A 12 3.722 -1.680 -1.901 1.00 0.00 O ATOM 378 C5 U A 12 6.067 -1.748 -2.246 1.00 0.00 C ATOM 379 C6 U A 12 7.261 -1.661 -1.654 1.00 0.00 C ATOM 0 H5' U A 12 11.825 -0.707 -2.359 1.00 0.00 H new ATOM 0 H5'' U A 12 12.001 -2.451 -2.362 1.00 0.00 H new ATOM 0 H4' U A 12 11.641 -1.425 -0.175 1.00 0.00 H new ATOM 0 H3' U A 12 9.758 -3.623 -1.100 1.00 0.00 H new ATOM 0 H2' U A 12 8.569 -3.448 1.038 1.00 0.00 H new ATOM 0 HO2' U A 12 9.380 -2.181 2.727 1.00 0.00 H new ATOM 0 H1' U A 12 8.614 -0.694 1.185 1.00 0.00 H new ATOM 0 H3 U A 12 4.250 -1.394 0.468 1.00 0.00 H new ATOM 0 H5 U A 12 6.003 -1.897 -3.314 1.00 0.00 H new ATOM 0 H6 U A 12 8.150 -1.749 -2.261 1.00 0.00 H new ATOM 390 P C A 13 11.049 -5.459 0.362 1.00 0.00 P ATOM 391 OP1 C A 13 12.336 -6.065 0.791 1.00 0.00 O ATOM 392 OP2 C A 13 10.344 -6.004 -0.826 1.00 0.00 O ATOM 393 O5' C A 13 10.047 -5.498 1.599 1.00 0.00 O ATOM 394 C5' C A 13 10.440 -5.003 2.878 1.00 0.00 C ATOM 395 C4' C A 13 9.403 -5.355 3.919 1.00 0.00 C ATOM 396 O4' C A 13 8.246 -4.494 3.764 1.00 0.00 O ATOM 397 C3' C A 13 8.817 -6.753 3.819 1.00 0.00 C ATOM 398 O3' C A 13 9.685 -7.723 4.397 1.00 0.00 O ATOM 399 C2' C A 13 7.500 -6.606 4.573 1.00 0.00 C ATOM 400 O2' C A 13 7.696 -6.646 5.974 1.00 0.00 O ATOM 401 C1' C A 13 7.081 -5.188 4.179 1.00 0.00 C ATOM 402 N1 C A 13 6.098 -5.149 3.083 1.00 0.00 N ATOM 403 C2 C A 13 4.735 -5.095 3.397 1.00 0.00 C ATOM 404 O2 C A 13 4.391 -5.088 4.589 1.00 0.00 O ATOM 405 N3 C A 13 3.827 -5.053 2.396 1.00 0.00 N ATOM 406 C4 C A 13 4.236 -5.066 1.126 1.00 0.00 C ATOM 407 N4 C A 13 3.304 -5.017 0.173 1.00 0.00 N ATOM 408 C5 C A 13 5.616 -5.127 0.777 1.00 0.00 C ATOM 409 C6 C A 13 6.504 -5.165 1.778 1.00 0.00 C ATOM 0 H5' C A 13 10.567 -3.921 2.833 1.00 0.00 H new ATOM 0 H5'' C A 13 11.405 -5.426 3.158 1.00 0.00 H new ATOM 0 H4' C A 13 9.945 -5.253 4.859 1.00 0.00 H new ATOM 0 H3' C A 13 8.678 -7.108 2.798 1.00 0.00 H new ATOM 0 H2' C A 13 6.784 -7.394 4.339 1.00 0.00 H new ATOM 0 HO2' C A 13 6.833 -6.548 6.428 1.00 0.00 H new ATOM 0 H1' C A 13 6.605 -4.731 5.046 1.00 0.00 H new ATOM 0 H41 C A 13 3.578 -5.025 -0.809 1.00 0.00 H new ATOM 0 H42 C A 13 2.317 -4.971 0.427 1.00 0.00 H new ATOM 0 H5 C A 13 5.933 -5.142 -0.255 1.00 0.00 H new ATOM 0 H6 C A 13 7.559 -5.209 1.551 1.00 0.00 H new ATOM 421 P U A 14 9.642 -9.244 3.878 1.00 0.00 P ATOM 422 OP1 U A 14 10.815 -9.963 4.436 1.00 0.00 O ATOM 423 OP2 U A 14 9.430 -9.216 2.407 1.00 0.00 O ATOM 424 O5' U A 14 8.325 -9.837 4.550 1.00 0.00 O ATOM 425 C5' U A 14 8.119 -9.747 5.958 1.00 0.00 C ATOM 426 C4' U A 14 6.761 -10.299 6.321 1.00 0.00 C ATOM 427 O4' U A 14 5.741 -9.321 5.984 1.00 0.00 O ATOM 428 C3' U A 14 6.345 -11.550 5.561 1.00 0.00 C ATOM 429 O3' U A 14 6.879 -12.723 6.169 1.00 0.00 O ATOM 430 C2' U A 14 4.825 -11.489 5.635 1.00 0.00 C ATOM 431 O2' U A 14 4.356 -11.920 6.898 1.00 0.00 O ATOM 432 C1' U A 14 4.580 -9.984 5.513 1.00 0.00 C ATOM 433 N1 U A 14 4.313 -9.529 4.140 1.00 0.00 N ATOM 434 C2 U A 14 3.007 -9.584 3.688 1.00 0.00 C ATOM 435 O2 U A 14 2.086 -10.009 4.365 1.00 0.00 O ATOM 436 N3 U A 14 2.817 -9.124 2.410 1.00 0.00 N ATOM 437 C4 U A 14 3.777 -8.622 1.557 1.00 0.00 C ATOM 438 O4 U A 14 3.447 -8.221 0.443 1.00 0.00 O ATOM 439 C5 U A 14 5.100 -8.610 2.094 1.00 0.00 C ATOM 440 C6 U A 14 5.324 -9.055 3.332 1.00 0.00 C ATOM 0 H5' U A 14 8.195 -8.708 6.279 1.00 0.00 H new ATOM 0 H5'' U A 14 8.897 -10.301 6.483 1.00 0.00 H new ATOM 0 H4' U A 14 6.844 -10.535 7.382 1.00 0.00 H new ATOM 0 H3' U A 14 6.713 -11.591 4.536 1.00 0.00 H new ATOM 0 H2' U A 14 4.331 -12.112 4.889 1.00 0.00 H new ATOM 0 HO2' U A 14 5.024 -12.506 7.312 1.00 0.00 H new ATOM 0 H1' U A 14 3.688 -9.753 6.096 1.00 0.00 H new ATOM 0 H3 U A 14 1.862 -9.157 2.052 1.00 0.00 H new ATOM 0 H5 U A 14 5.921 -8.240 1.497 1.00 0.00 H new ATOM 0 H6 U A 14 6.334 -9.043 3.715 1.00 0.00 H new ATOM 451 P C A 15 7.478 -13.900 5.249 1.00 0.00 P ATOM 452 OP1 C A 15 8.406 -14.690 6.097 1.00 0.00 O ATOM 453 OP2 C A 15 7.967 -13.318 3.974 1.00 0.00 O ATOM 454 O5' C A 15 6.212 -14.811 4.929 1.00 0.00 O ATOM 455 C5' C A 15 5.474 -15.432 5.977 1.00 0.00 C ATOM 456 C4' C A 15 4.094 -15.803 5.491 1.00 0.00 C ATOM 457 O4' C A 15 3.361 -14.590 5.190 1.00 0.00 O ATOM 458 C3' C A 15 4.049 -16.600 4.196 1.00 0.00 C ATOM 459 O3' C A 15 4.228 -18.002 4.416 1.00 0.00 O ATOM 460 C2' C A 15 2.663 -16.273 3.650 1.00 0.00 C ATOM 461 O2' C A 15 1.670 -17.062 4.279 1.00 0.00 O ATOM 462 C1' C A 15 2.486 -14.822 4.101 1.00 0.00 C ATOM 463 N1 C A 15 2.779 -13.833 3.050 1.00 0.00 N ATOM 464 C2 C A 15 1.733 -13.391 2.239 1.00 0.00 C ATOM 465 O2 C A 15 0.597 -13.846 2.428 1.00 0.00 O ATOM 466 N3 C A 15 1.983 -12.480 1.271 1.00 0.00 N ATOM 467 C4 C A 15 3.220 -12.011 1.103 1.00 0.00 C ATOM 468 N4 C A 15 3.418 -11.114 0.137 1.00 0.00 N ATOM 469 C5 C A 15 4.308 -12.442 1.918 1.00 0.00 C ATOM 470 C6 C A 15 4.045 -13.349 2.867 1.00 0.00 C ATOM 0 H5' C A 15 5.398 -14.756 6.829 1.00 0.00 H new ATOM 0 H5'' C A 15 5.998 -16.323 6.323 1.00 0.00 H new ATOM 0 H4' C A 15 3.681 -16.413 6.295 1.00 0.00 H new ATOM 0 H3' C A 15 4.853 -16.342 3.506 1.00 0.00 H new ATOM 0 H2' C A 15 2.573 -16.446 2.578 1.00 0.00 H new ATOM 0 HO2' C A 15 2.092 -17.830 4.719 1.00 0.00 H new ATOM 0 HO3' C A 15 4.190 -18.475 3.559 1.00 0.00 H new ATOM 0 H1' C A 15 1.437 -14.695 4.370 1.00 0.00 H new ATOM 0 H41 C A 15 4.351 -10.733 -0.021 1.00 0.00 H new ATOM 0 H42 C A 15 2.637 -10.809 -0.444 1.00 0.00 H new ATOM 0 H5 C A 15 5.305 -12.052 1.775 1.00 0.00 H new ATOM 0 H6 C A 15 4.846 -13.704 3.498 1.00 0.00 H new TER 483 C A 15