USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, 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 42 G O2' : rot -1:sc= -0.455 USER MOD Single : A 42 G O5' : rot 180:sc=-2.2e-05 USER MOD Single : A 43 A O2' : rot 180:sc= -0.192 USER MOD Single : A 44 U O2' : rot 180:sc= -0.13 USER MOD Single : A 45 C O2' : rot -4:sc= -0.39 USER MOD Single : A 46 U O2' : rot 180:sc= -0.0708 USER MOD Single : A 47 C O2' : rot -170:sc= -2.31! USER MOD Single : A 48 U O2' : rot -113:sc= -6.59! USER MOD Single : A 49 U O2' : rot -52:sc= 0.595 USER MOD Single : A 50 G O2' : rot -3:sc= -5.1! USER MOD Single : A 51 U O2' : rot 180:sc= -3.06! USER MOD Single : A 52 A O2' : rot -6:sc= -0.346 USER MOD Single : A 53 G O2' : rot 180:sc= -0.346 USER MOD Single : A 54 A O2' : rot -11:sc= -1.79! USER MOD Single : A 55 U O2' : rot -6:sc= -0.695 USER MOD Single : A 56 C O2' : rot 5:sc= -1.55! USER MOD Single : A 57 A O2' : rot -13:sc= 0.168 USER MOD Single : A 57 A O3' : rot 180:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.217 -3.521 9.613 1.00 0.00 O ATOM 2 C5' G A 42 7.075 -2.954 10.605 1.00 0.00 C ATOM 3 C4' G A 42 7.911 -1.817 10.034 1.00 0.00 C ATOM 4 O4' G A 42 8.848 -2.299 9.072 1.00 0.00 O ATOM 5 C3' G A 42 7.107 -0.741 9.331 1.00 0.00 C ATOM 6 O3' G A 42 6.576 0.188 10.280 1.00 0.00 O ATOM 7 C2' G A 42 8.166 -0.095 8.471 1.00 0.00 C ATOM 8 O2' G A 42 8.957 0.836 9.220 1.00 0.00 O ATOM 9 C1' G A 42 8.983 -1.306 8.042 1.00 0.00 C ATOM 10 N9 G A 42 8.525 -1.921 6.788 1.00 0.00 N ATOM 11 C8 G A 42 7.717 -3.011 6.626 1.00 0.00 C ATOM 12 N7 G A 42 7.492 -3.323 5.381 1.00 0.00 N ATOM 13 C5 G A 42 8.205 -2.367 4.663 1.00 0.00 C ATOM 14 C6 G A 42 8.336 -2.196 3.258 1.00 0.00 C ATOM 15 O6 G A 42 7.843 -2.878 2.364 1.00 0.00 O ATOM 16 N1 G A 42 9.143 -1.104 2.949 1.00 0.00 N ATOM 17 C2 G A 42 9.749 -0.283 3.882 1.00 0.00 C ATOM 18 N2 G A 42 10.490 0.716 3.406 1.00 0.00 N ATOM 19 N3 G A 42 9.625 -0.448 5.203 1.00 0.00 N ATOM 20 C4 G A 42 8.842 -1.504 5.518 1.00 0.00 C ATOM 0 H5' G A 42 7.733 -3.726 11.003 1.00 0.00 H new ATOM 0 H5'' G A 42 6.476 -2.585 11.438 1.00 0.00 H new ATOM 0 H4' G A 42 8.396 -1.387 10.910 1.00 0.00 H new ATOM 0 H3' G A 42 6.246 -1.109 8.773 1.00 0.00 H new ATOM 0 H2' G A 42 7.770 0.492 7.642 1.00 0.00 H new ATOM 0 HO2' G A 42 8.629 0.876 10.143 1.00 0.00 H new ATOM 0 HO5' G A 42 5.695 -4.249 10.010 1.00 0.00 H new ATOM 0 H1' G A 42 10.006 -0.965 7.884 1.00 0.00 H new ATOM 0 H8 G A 42 7.302 -3.564 7.455 1.00 0.00 H new ATOM 0 H1 G A 42 9.298 -0.895 1.963 1.00 0.00 H new ATOM 0 H21 G A 42 10.960 1.353 4.049 1.00 0.00 H new ATOM 0 H22 G A 42 10.587 0.844 2.399 1.00 0.00 H new ATOM 33 P A A 43 5.222 1.004 9.963 1.00 0.00 P ATOM 34 OP1 A A 43 4.862 1.787 11.166 1.00 0.00 O ATOM 35 OP2 A A 43 4.242 0.062 9.377 1.00 0.00 O ATOM 36 O5' A A 43 5.677 2.035 8.811 1.00 0.00 O ATOM 37 C5' A A 43 6.625 3.065 9.092 1.00 0.00 C ATOM 38 C4' A A 43 7.016 3.837 7.833 1.00 0.00 C ATOM 39 O4' A A 43 7.715 2.990 6.911 1.00 0.00 O ATOM 40 C3' A A 43 5.847 4.400 7.043 1.00 0.00 C ATOM 41 O3' A A 43 5.389 5.629 7.623 1.00 0.00 O ATOM 42 C2' A A 43 6.494 4.638 5.699 1.00 0.00 C ATOM 43 O2' A A 43 7.271 5.842 5.691 1.00 0.00 O ATOM 44 C1' A A 43 7.373 3.401 5.571 1.00 0.00 C ATOM 45 N9 A A 43 6.693 2.273 4.902 1.00 0.00 N ATOM 46 C8 A A 43 6.033 1.207 5.457 1.00 0.00 C ATOM 47 N7 A A 43 5.514 0.391 4.581 1.00 0.00 N ATOM 48 C5 A A 43 5.853 0.959 3.358 1.00 0.00 C ATOM 49 C6 A A 43 5.596 0.582 2.028 1.00 0.00 C ATOM 50 N6 A A 43 4.910 -0.514 1.692 1.00 0.00 N ATOM 51 N1 A A 43 6.077 1.380 1.063 1.00 0.00 N ATOM 52 C2 A A 43 6.763 2.465 1.395 1.00 0.00 C ATOM 53 N3 A A 43 7.070 2.922 2.596 1.00 0.00 N ATOM 54 C4 A A 43 6.573 2.106 3.547 1.00 0.00 C ATOM 0 H5' A A 43 7.516 2.626 9.540 1.00 0.00 H new ATOM 0 H5'' A A 43 6.206 3.754 9.825 1.00 0.00 H new ATOM 0 H4' A A 43 7.624 4.657 8.216 1.00 0.00 H new ATOM 0 H3' A A 43 4.968 3.756 7.008 1.00 0.00 H new ATOM 0 H2' A A 43 5.787 4.771 4.880 1.00 0.00 H new ATOM 0 HO2' A A 43 7.676 5.964 4.807 1.00 0.00 H new ATOM 0 H1' A A 43 8.241 3.657 4.964 1.00 0.00 H new ATOM 0 H8 A A 43 5.950 1.056 6.523 1.00 0.00 H new ATOM 0 H61 A A 43 4.755 -0.737 0.709 1.00 0.00 H new ATOM 0 H62 A A 43 4.542 -1.128 2.419 1.00 0.00 H new ATOM 0 H2 A A 43 7.121 3.059 0.567 1.00 0.00 H new ATOM 66 P U A 44 3.853 6.095 7.444 1.00 0.00 P ATOM 67 OP1 U A 44 3.641 7.306 8.268 1.00 0.00 O ATOM 68 OP2 U A 44 2.987 4.911 7.641 1.00 0.00 O ATOM 69 O5' U A 44 3.769 6.525 5.891 1.00 0.00 O ATOM 70 C5' U A 44 4.507 7.657 5.426 1.00 0.00 C ATOM 71 C4' U A 44 4.424 7.833 3.908 1.00 0.00 C ATOM 72 O4' U A 44 5.063 6.743 3.246 1.00 0.00 O ATOM 73 C3' U A 44 3.021 7.874 3.329 1.00 0.00 C ATOM 74 O3' U A 44 2.450 9.183 3.485 1.00 0.00 O ATOM 75 C2' U A 44 3.313 7.576 1.870 1.00 0.00 C ATOM 76 O2' U A 44 3.786 8.739 1.179 1.00 0.00 O ATOM 77 C1' U A 44 4.398 6.513 1.987 1.00 0.00 C ATOM 78 N1 U A 44 3.864 5.139 2.003 1.00 0.00 N ATOM 79 C2 U A 44 3.620 4.540 0.785 1.00 0.00 C ATOM 80 O2 U A 44 3.854 5.105 -0.281 1.00 0.00 O ATOM 81 N3 U A 44 3.097 3.263 0.831 1.00 0.00 N ATOM 82 C4 U A 44 2.801 2.540 1.972 1.00 0.00 C ATOM 83 O4 U A 44 2.346 1.402 1.889 1.00 0.00 O ATOM 84 C5 U A 44 3.082 3.245 3.201 1.00 0.00 C ATOM 85 C6 U A 44 3.591 4.500 3.181 1.00 0.00 C ATOM 0 H5' U A 44 5.551 7.550 5.719 1.00 0.00 H new ATOM 0 H5'' U A 44 4.130 8.556 5.913 1.00 0.00 H new ATOM 0 H4' U A 44 4.902 8.798 3.742 1.00 0.00 H new ATOM 0 H3' U A 44 2.309 7.193 3.796 1.00 0.00 H new ATOM 0 H2' U A 44 2.441 7.258 1.299 1.00 0.00 H new ATOM 0 HO2' U A 44 3.966 8.513 0.243 1.00 0.00 H new ATOM 0 H1' U A 44 5.056 6.593 1.122 1.00 0.00 H new ATOM 0 H3 U A 44 2.911 2.809 -0.063 1.00 0.00 H new ATOM 0 H5 U A 44 2.884 2.765 4.148 1.00 0.00 H new ATOM 0 H6 U A 44 3.785 5.007 4.115 1.00 0.00 H new ATOM 96 P C A 45 0.847 9.368 3.590 1.00 0.00 P ATOM 97 OP1 C A 45 0.568 10.788 3.901 1.00 0.00 O ATOM 98 OP2 C A 45 0.319 8.305 4.473 1.00 0.00 O ATOM 99 O5' C A 45 0.333 9.073 2.090 1.00 0.00 O ATOM 100 C5' C A 45 0.683 9.962 1.025 1.00 0.00 C ATOM 101 C4' C A 45 0.247 9.428 -0.340 1.00 0.00 C ATOM 102 O4' C A 45 0.975 8.248 -0.667 1.00 0.00 O ATOM 103 C3' C A 45 -1.216 9.038 -0.462 1.00 0.00 C ATOM 104 O3' C A 45 -2.032 10.188 -0.706 1.00 0.00 O ATOM 105 C2' C A 45 -1.176 8.145 -1.682 1.00 0.00 C ATOM 106 O2' C A 45 -1.147 8.906 -2.895 1.00 0.00 O ATOM 107 C1' C A 45 0.129 7.392 -1.459 1.00 0.00 C ATOM 108 N1 C A 45 -0.055 6.137 -0.714 1.00 0.00 N ATOM 109 C2 C A 45 -0.414 5.019 -1.439 1.00 0.00 C ATOM 110 O2 C A 45 -0.561 5.102 -2.659 1.00 0.00 O ATOM 111 N3 C A 45 -0.601 3.848 -0.766 1.00 0.00 N ATOM 112 C4 C A 45 -0.435 3.782 0.561 1.00 0.00 C ATOM 113 N4 C A 45 -0.618 2.619 1.186 1.00 0.00 N ATOM 114 C5 C A 45 -0.065 4.942 1.312 1.00 0.00 C ATOM 115 C6 C A 45 0.106 6.092 0.637 1.00 0.00 C ATOM 0 H5' C A 45 1.762 10.119 1.024 1.00 0.00 H new ATOM 0 H5'' C A 45 0.220 10.934 1.198 1.00 0.00 H new ATOM 0 H4' C A 45 0.438 10.269 -1.006 1.00 0.00 H new ATOM 0 H3' C A 45 -1.633 8.571 0.430 1.00 0.00 H new ATOM 0 H2' C A 45 -2.049 7.501 -1.791 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.221 9.860 -2.684 1.00 0.00 H new ATOM 0 H1' C A 45 0.551 7.140 -2.432 1.00 0.00 H new ATOM 0 H41 C A 45 -0.494 2.558 2.197 1.00 0.00 H new ATOM 0 H42 C A 45 -0.882 1.790 0.654 1.00 0.00 H new ATOM 0 H5 C A 45 0.072 4.896 2.382 1.00 0.00 H new ATOM 0 H6 C A 45 0.374 6.991 1.173 1.00 0.00 H new ATOM 127 P U A 46 -3.582 10.208 -0.254 1.00 0.00 P ATOM 128 OP1 U A 46 -4.119 11.562 -0.515 1.00 0.00 O ATOM 129 OP2 U A 46 -3.671 9.633 1.107 1.00 0.00 O ATOM 130 O5' U A 46 -4.286 9.180 -1.282 1.00 0.00 O ATOM 131 C5' U A 46 -4.342 9.480 -2.679 1.00 0.00 C ATOM 132 C4' U A 46 -4.939 8.334 -3.503 1.00 0.00 C ATOM 133 O4' U A 46 -4.092 7.181 -3.451 1.00 0.00 O ATOM 134 C3' U A 46 -6.296 7.843 -3.037 1.00 0.00 C ATOM 135 O3' U A 46 -7.333 8.708 -3.529 1.00 0.00 O ATOM 136 C2' U A 46 -6.351 6.486 -3.712 1.00 0.00 C ATOM 137 O2' U A 46 -6.694 6.600 -5.098 1.00 0.00 O ATOM 138 C1' U A 46 -4.918 5.997 -3.527 1.00 0.00 C ATOM 139 N1 U A 46 -4.726 5.229 -2.281 1.00 0.00 N ATOM 140 C2 U A 46 -5.026 3.879 -2.307 1.00 0.00 C ATOM 141 O2 U A 46 -5.403 3.310 -3.327 1.00 0.00 O ATOM 142 N3 U A 46 -4.875 3.201 -1.114 1.00 0.00 N ATOM 143 C4 U A 46 -4.457 3.743 0.086 1.00 0.00 C ATOM 144 O4 U A 46 -4.361 3.041 1.088 1.00 0.00 O ATOM 145 C5 U A 46 -4.166 5.157 0.024 1.00 0.00 C ATOM 146 C6 U A 46 -4.308 5.845 -1.133 1.00 0.00 C ATOM 0 H5' U A 46 -3.337 9.698 -3.041 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.938 10.380 -2.830 1.00 0.00 H new ATOM 0 H4' U A 46 -5.037 8.765 -4.499 1.00 0.00 H new ATOM 0 H3' U A 46 -6.431 7.813 -1.956 1.00 0.00 H new ATOM 0 H2' U A 46 -7.106 5.816 -3.301 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.719 5.708 -5.503 1.00 0.00 H new ATOM 0 H1' U A 46 -4.664 5.335 -4.355 1.00 0.00 H new ATOM 0 H3 U A 46 -5.093 2.205 -1.119 1.00 0.00 H new ATOM 0 H5 U A 46 -3.831 5.672 0.912 1.00 0.00 H new ATOM 0 H6 U A 46 -4.087 6.902 -1.150 1.00 0.00 H new ATOM 157 P C A 47 -8.724 8.876 -2.721 1.00 0.00 P ATOM 158 OP1 C A 47 -9.511 9.940 -3.382 1.00 0.00 O ATOM 159 OP2 C A 47 -8.406 8.989 -1.280 1.00 0.00 O ATOM 160 O5' C A 47 -9.486 7.473 -2.955 1.00 0.00 O ATOM 161 C5' C A 47 -9.933 7.107 -4.264 1.00 0.00 C ATOM 162 C4' C A 47 -10.498 5.687 -4.306 1.00 0.00 C ATOM 163 O4' C A 47 -9.478 4.738 -4.068 1.00 0.00 O ATOM 164 C3' C A 47 -11.584 5.382 -3.294 1.00 0.00 C ATOM 165 O3' C A 47 -12.841 5.865 -3.786 1.00 0.00 O ATOM 166 C2' C A 47 -11.550 3.862 -3.260 1.00 0.00 C ATOM 167 O2' C A 47 -12.350 3.306 -4.308 1.00 0.00 O ATOM 168 C1' C A 47 -10.059 3.561 -3.477 1.00 0.00 C ATOM 169 N1 C A 47 -9.312 3.315 -2.239 1.00 0.00 N ATOM 170 C2 C A 47 -9.299 2.029 -1.737 1.00 0.00 C ATOM 171 O2 C A 47 -9.912 1.138 -2.323 1.00 0.00 O ATOM 172 N3 C A 47 -8.593 1.794 -0.594 1.00 0.00 N ATOM 173 C4 C A 47 -7.938 2.788 0.024 1.00 0.00 C ATOM 174 N4 C A 47 -7.252 2.532 1.136 1.00 0.00 N ATOM 175 C5 C A 47 -7.964 4.119 -0.492 1.00 0.00 C ATOM 176 C6 C A 47 -8.664 4.334 -1.618 1.00 0.00 C ATOM 0 H5' C A 47 -9.102 7.186 -4.965 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.697 7.810 -4.595 1.00 0.00 H new ATOM 0 H4' C A 47 -10.931 5.622 -5.304 1.00 0.00 H new ATOM 0 H3' C A 47 -11.447 5.839 -2.314 1.00 0.00 H new ATOM 0 H2' C A 47 -11.949 3.436 -2.340 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.445 2.340 -4.170 1.00 0.00 H new ATOM 0 H1' C A 47 -9.998 2.661 -4.089 1.00 0.00 H new ATOM 0 H41 C A 47 -6.752 3.283 1.611 1.00 0.00 H new ATOM 0 H42 C A 47 -7.227 1.585 1.513 1.00 0.00 H new ATOM 0 H5 C A 47 -7.441 4.923 0.004 1.00 0.00 H new ATOM 0 H6 C A 47 -8.712 5.329 -2.034 1.00 0.00 H new ATOM 188 P U A 48 -14.025 6.310 -2.784 1.00 0.00 P ATOM 189 OP1 U A 48 -15.110 6.906 -3.596 1.00 0.00 O ATOM 190 OP2 U A 48 -13.422 7.092 -1.682 1.00 0.00 O ATOM 191 O5' U A 48 -14.567 4.920 -2.172 1.00 0.00 O ATOM 192 C5' U A 48 -15.967 4.774 -1.898 1.00 0.00 C ATOM 193 C4' U A 48 -16.328 3.378 -1.398 1.00 0.00 C ATOM 194 O4' U A 48 -16.179 2.419 -2.457 1.00 0.00 O ATOM 195 C3' U A 48 -15.470 2.905 -0.219 1.00 0.00 C ATOM 196 O3' U A 48 -16.313 2.193 0.703 1.00 0.00 O ATOM 197 C2' U A 48 -14.519 1.928 -0.900 1.00 0.00 C ATOM 198 O2' U A 48 -14.021 0.940 0.002 1.00 0.00 O ATOM 199 C1' U A 48 -15.428 1.324 -1.947 1.00 0.00 C ATOM 200 N1 U A 48 -14.744 0.649 -3.078 1.00 0.00 N ATOM 201 C2 U A 48 -15.062 -0.678 -3.324 1.00 0.00 C ATOM 202 O2 U A 48 -15.875 -1.292 -2.636 1.00 0.00 O ATOM 203 N3 U A 48 -14.413 -1.275 -4.389 1.00 0.00 N ATOM 204 C4 U A 48 -13.486 -0.673 -5.221 1.00 0.00 C ATOM 205 O4 U A 48 -12.969 -1.302 -6.141 1.00 0.00 O ATOM 206 C5 U A 48 -13.214 0.709 -4.895 1.00 0.00 C ATOM 207 C6 U A 48 -13.838 1.317 -3.856 1.00 0.00 C ATOM 0 H5' U A 48 -16.534 4.989 -2.804 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.266 5.511 -1.152 1.00 0.00 H new ATOM 0 H4' U A 48 -17.361 3.449 -1.058 1.00 0.00 H new ATOM 0 H3' U A 48 -14.969 3.700 0.333 1.00 0.00 H new ATOM 0 H2' U A 48 -13.617 2.392 -1.298 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.057 1.067 0.127 1.00 0.00 H new ATOM 0 H1' U A 48 -16.016 0.537 -1.475 1.00 0.00 H new ATOM 0 H3 U A 48 -14.639 -2.251 -4.579 1.00 0.00 H new ATOM 0 H5 U A 48 -12.503 1.265 -5.488 1.00 0.00 H new ATOM 0 H6 U A 48 -13.615 2.351 -3.638 1.00 0.00 H new ATOM 218 P U A 49 -16.076 2.168 2.308 1.00 0.00 P ATOM 219 OP1 U A 49 -17.218 1.455 2.925 1.00 0.00 O ATOM 220 OP2 U A 49 -15.759 3.547 2.742 1.00 0.00 O ATOM 221 O5' U A 49 -14.758 1.268 2.522 1.00 0.00 O ATOM 222 C5' U A 49 -14.739 -0.106 2.148 1.00 0.00 C ATOM 223 C4' U A 49 -13.373 -0.739 2.406 1.00 0.00 C ATOM 224 O4' U A 49 -12.404 -0.064 1.587 1.00 0.00 O ATOM 225 C3' U A 49 -12.878 -0.630 3.850 1.00 0.00 C ATOM 226 O3' U A 49 -12.235 -1.862 4.185 1.00 0.00 O ATOM 227 C2' U A 49 -11.853 0.485 3.846 1.00 0.00 C ATOM 228 O2' U A 49 -10.773 0.203 4.744 1.00 0.00 O ATOM 229 C1' U A 49 -11.377 0.527 2.407 1.00 0.00 C ATOM 230 N1 U A 49 -11.121 1.904 1.934 1.00 0.00 N ATOM 231 C2 U A 49 -9.886 2.454 2.224 1.00 0.00 C ATOM 232 O2 U A 49 -9.013 1.823 2.815 1.00 0.00 O ATOM 233 N3 U A 49 -9.688 3.758 1.809 1.00 0.00 N ATOM 234 C4 U A 49 -10.603 4.548 1.136 1.00 0.00 C ATOM 235 O4 U A 49 -10.318 5.699 0.811 1.00 0.00 O ATOM 236 C5 U A 49 -11.864 3.894 0.875 1.00 0.00 C ATOM 237 C6 U A 49 -12.082 2.618 1.276 1.00 0.00 C ATOM 0 H5' U A 49 -14.991 -0.200 1.092 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.503 -0.647 2.707 1.00 0.00 H new ATOM 0 H4' U A 49 -13.488 -1.799 2.179 1.00 0.00 H new ATOM 0 H3' U A 49 -13.680 -0.433 4.561 1.00 0.00 H new ATOM 0 H2' U A 49 -12.264 1.437 4.182 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.132 -0.019 5.628 1.00 0.00 H new ATOM 0 H1' U A 49 -10.435 -0.018 2.341 1.00 0.00 H new ATOM 0 H3 U A 49 -8.782 4.177 2.019 1.00 0.00 H new ATOM 0 H5 U A 49 -12.644 4.429 0.353 1.00 0.00 H new ATOM 0 H6 U A 49 -13.036 2.156 1.071 1.00 0.00 H new ATOM 248 P G A 50 -12.106 -2.381 5.704 1.00 0.00 P ATOM 249 OP1 G A 50 -13.463 -2.464 6.289 1.00 0.00 O ATOM 250 OP2 G A 50 -11.051 -1.595 6.380 1.00 0.00 O ATOM 251 O5' G A 50 -11.558 -3.877 5.470 1.00 0.00 O ATOM 252 C5' G A 50 -12.404 -4.860 4.868 1.00 0.00 C ATOM 253 C4' G A 50 -11.644 -5.735 3.884 1.00 0.00 C ATOM 254 O4' G A 50 -11.255 -4.983 2.739 1.00 0.00 O ATOM 255 C3' G A 50 -10.373 -6.351 4.418 1.00 0.00 C ATOM 256 O3' G A 50 -10.643 -7.566 5.096 1.00 0.00 O ATOM 257 C2' G A 50 -9.563 -6.596 3.173 1.00 0.00 C ATOM 258 O2' G A 50 -9.951 -7.813 2.524 1.00 0.00 O ATOM 259 C1' G A 50 -9.928 -5.378 2.342 1.00 0.00 C ATOM 260 N9 G A 50 -9.058 -4.211 2.554 1.00 0.00 N ATOM 261 C8 G A 50 -8.172 -3.957 3.568 1.00 0.00 C ATOM 262 N7 G A 50 -7.548 -2.821 3.452 1.00 0.00 N ATOM 263 C5 G A 50 -8.053 -2.285 2.275 1.00 0.00 C ATOM 264 C6 G A 50 -7.754 -1.055 1.638 1.00 0.00 C ATOM 265 O6 G A 50 -6.947 -0.199 1.992 1.00 0.00 O ATOM 266 N1 G A 50 -8.499 -0.891 0.474 1.00 0.00 N ATOM 267 C2 G A 50 -9.408 -1.810 -0.019 1.00 0.00 C ATOM 268 N2 G A 50 -10.025 -1.495 -1.158 1.00 0.00 N ATOM 269 N3 G A 50 -9.682 -2.966 0.581 1.00 0.00 N ATOM 270 C4 G A 50 -8.973 -3.133 1.718 1.00 0.00 C ATOM 0 H5' G A 50 -13.227 -4.365 4.353 1.00 0.00 H new ATOM 0 H5'' G A 50 -12.844 -5.485 5.645 1.00 0.00 H new ATOM 0 H4' G A 50 -12.350 -6.534 3.658 1.00 0.00 H new ATOM 0 H3' G A 50 -9.862 -5.718 5.144 1.00 0.00 H new ATOM 0 H2' G A 50 -8.494 -6.713 3.349 1.00 0.00 H new ATOM 0 HO2' G A 50 -10.635 -8.266 3.060 1.00 0.00 H new ATOM 0 H1' G A 50 -9.831 -5.666 1.295 1.00 0.00 H new ATOM 0 H8 G A 50 -8.006 -4.638 4.389 1.00 0.00 H new ATOM 0 H1 G A 50 -8.365 -0.029 -0.055 1.00 0.00 H new ATOM 0 H21 G A 50 -10.705 -2.138 -1.565 1.00 0.00 H new ATOM 0 H22 G A 50 -9.817 -0.611 -1.623 1.00 0.00 H new ATOM 282 P U A 51 -9.442 -8.271 5.877 1.00 0.00 P ATOM 283 OP1 U A 51 -9.981 -9.423 6.636 1.00 0.00 O ATOM 284 OP2 U A 51 -8.646 -7.229 6.563 1.00 0.00 O ATOM 285 O5' U A 51 -8.592 -8.829 4.627 1.00 0.00 O ATOM 286 C5' U A 51 -7.220 -9.175 4.758 1.00 0.00 C ATOM 287 C4' U A 51 -6.696 -9.860 3.499 1.00 0.00 C ATOM 288 O4' U A 51 -7.376 -11.105 3.333 1.00 0.00 O ATOM 289 C3' U A 51 -6.874 -9.074 2.202 1.00 0.00 C ATOM 290 O3' U A 51 -5.716 -9.313 1.401 1.00 0.00 O ATOM 291 C2' U A 51 -8.098 -9.677 1.533 1.00 0.00 C ATOM 292 O2' U A 51 -7.905 -9.792 0.119 1.00 0.00 O ATOM 293 C1' U A 51 -8.228 -11.057 2.181 1.00 0.00 C ATOM 294 N1 U A 51 -9.602 -11.413 2.629 1.00 0.00 N ATOM 295 C2 U A 51 -10.090 -12.662 2.275 1.00 0.00 C ATOM 296 O2 U A 51 -9.431 -13.453 1.604 1.00 0.00 O ATOM 297 N3 U A 51 -11.362 -12.971 2.721 1.00 0.00 N ATOM 298 C4 U A 51 -12.182 -12.156 3.479 1.00 0.00 C ATOM 299 O4 U A 51 -13.300 -12.535 3.820 1.00 0.00 O ATOM 300 C5 U A 51 -11.599 -10.875 3.806 1.00 0.00 C ATOM 301 C6 U A 51 -10.353 -10.546 3.383 1.00 0.00 C ATOM 0 H5' U A 51 -7.090 -9.836 5.615 1.00 0.00 H new ATOM 0 H5'' U A 51 -6.634 -8.277 4.956 1.00 0.00 H new ATOM 0 H4' U A 51 -5.623 -9.965 3.660 1.00 0.00 H new ATOM 0 H3' U A 51 -6.995 -8.001 2.353 1.00 0.00 H new ATOM 0 H2' U A 51 -8.991 -9.066 1.662 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.705 -10.184 -0.290 1.00 0.00 H new ATOM 0 H1' U A 51 -7.951 -11.772 1.407 1.00 0.00 H new ATOM 0 H3 U A 51 -11.730 -13.888 2.466 1.00 0.00 H new ATOM 0 H5 U A 51 -12.164 -10.169 4.396 1.00 0.00 H new ATOM 0 H6 U A 51 -9.943 -9.582 3.645 1.00 0.00 H new ATOM 312 P A A 52 -4.596 -8.191 1.117 1.00 0.00 P ATOM 313 OP1 A A 52 -3.438 -8.851 0.475 1.00 0.00 O ATOM 314 OP2 A A 52 -4.401 -7.412 2.361 1.00 0.00 O ATOM 315 O5' A A 52 -5.289 -7.231 0.031 1.00 0.00 O ATOM 316 C5' A A 52 -6.156 -7.777 -0.960 1.00 0.00 C ATOM 317 C4' A A 52 -6.504 -6.752 -2.030 1.00 0.00 C ATOM 318 O4' A A 52 -7.254 -5.650 -1.496 1.00 0.00 O ATOM 319 C3' A A 52 -5.279 -6.133 -2.674 1.00 0.00 C ATOM 320 O3' A A 52 -4.785 -7.012 -3.693 1.00 0.00 O ATOM 321 C2' A A 52 -5.856 -4.867 -3.271 1.00 0.00 C ATOM 322 O2' A A 52 -6.534 -5.130 -4.505 1.00 0.00 O ATOM 323 C1' A A 52 -6.830 -4.447 -2.177 1.00 0.00 C ATOM 324 N9 A A 52 -6.241 -3.551 -1.169 1.00 0.00 N ATOM 325 C8 A A 52 -5.825 -3.845 0.104 1.00 0.00 C ATOM 326 N7 A A 52 -5.378 -2.811 0.763 1.00 0.00 N ATOM 327 C5 A A 52 -5.509 -1.759 -0.140 1.00 0.00 C ATOM 328 C6 A A 52 -5.207 -0.390 -0.055 1.00 0.00 C ATOM 329 N6 A A 52 -4.691 0.175 1.033 1.00 0.00 N ATOM 330 N1 A A 52 -5.458 0.368 -1.136 1.00 0.00 N ATOM 331 C2 A A 52 -5.972 -0.204 -2.220 1.00 0.00 C ATOM 332 N3 A A 52 -6.299 -1.471 -2.420 1.00 0.00 N ATOM 333 C4 A A 52 -6.035 -2.203 -1.318 1.00 0.00 C ATOM 0 H5' A A 52 -7.071 -8.134 -0.487 1.00 0.00 H new ATOM 0 H5'' A A 52 -5.680 -8.640 -1.424 1.00 0.00 H new ATOM 0 H4' A A 52 -7.082 -7.317 -2.761 1.00 0.00 H new ATOM 0 H3' A A 52 -4.442 -5.949 -2.000 1.00 0.00 H new ATOM 0 H2' A A 52 -5.113 -4.111 -3.526 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.398 -6.066 -4.760 1.00 0.00 H new ATOM 0 H1' A A 52 -7.644 -3.903 -2.655 1.00 0.00 H new ATOM 0 H8 A A 52 -5.864 -4.840 0.522 1.00 0.00 H new ATOM 0 H61 A A 52 -4.490 1.175 1.042 1.00 0.00 H new ATOM 0 H62 A A 52 -4.496 -0.392 1.858 1.00 0.00 H new ATOM 0 H2 A A 52 -6.148 0.458 -3.055 1.00 0.00 H new ATOM 345 P G A 53 -3.225 -7.024 -4.099 1.00 0.00 P ATOM 346 OP1 G A 53 -3.011 -8.111 -5.081 1.00 0.00 O ATOM 347 OP2 G A 53 -2.423 -6.986 -2.856 1.00 0.00 O ATOM 348 O5' G A 53 -3.042 -5.622 -4.857 1.00 0.00 O ATOM 349 C5' G A 53 -3.709 -5.375 -6.093 1.00 0.00 C ATOM 350 C4' G A 53 -3.513 -3.935 -6.540 1.00 0.00 C ATOM 351 O4' G A 53 -4.137 -3.043 -5.615 1.00 0.00 O ATOM 352 C3' G A 53 -2.067 -3.487 -6.610 1.00 0.00 C ATOM 353 O3' G A 53 -1.466 -3.916 -7.837 1.00 0.00 O ATOM 354 C2' G A 53 -2.238 -1.980 -6.589 1.00 0.00 C ATOM 355 O2' G A 53 -2.622 -1.476 -7.874 1.00 0.00 O ATOM 356 C1' G A 53 -3.365 -1.831 -5.568 1.00 0.00 C ATOM 357 N9 G A 53 -2.875 -1.647 -4.191 1.00 0.00 N ATOM 358 C8 G A 53 -2.688 -2.580 -3.204 1.00 0.00 C ATOM 359 N7 G A 53 -2.209 -2.087 -2.096 1.00 0.00 N ATOM 360 C5 G A 53 -2.066 -0.730 -2.370 1.00 0.00 C ATOM 361 C6 G A 53 -1.584 0.319 -1.543 1.00 0.00 C ATOM 362 O6 G A 53 -1.192 0.248 -0.377 1.00 0.00 O ATOM 363 N1 G A 53 -1.599 1.541 -2.212 1.00 0.00 N ATOM 364 C2 G A 53 -2.029 1.725 -3.515 1.00 0.00 C ATOM 365 N2 G A 53 -1.974 2.967 -3.999 1.00 0.00 N ATOM 366 N3 G A 53 -2.483 0.737 -4.285 1.00 0.00 N ATOM 367 C4 G A 53 -2.472 -0.455 -3.650 1.00 0.00 C ATOM 0 H5' G A 53 -4.773 -5.584 -5.984 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.328 -6.052 -6.858 1.00 0.00 H new ATOM 0 H4' G A 53 -3.947 -3.905 -7.540 1.00 0.00 H new ATOM 0 H3' G A 53 -1.426 -3.881 -5.821 1.00 0.00 H new ATOM 0 H2' G A 53 -1.331 -1.427 -6.343 1.00 0.00 H new ATOM 0 HO2' G A 53 -2.725 -0.503 -7.826 1.00 0.00 H new ATOM 0 H1' G A 53 -3.945 -0.944 -5.822 1.00 0.00 H new ATOM 0 H8 G A 53 -2.917 -3.628 -3.333 1.00 0.00 H new ATOM 0 H1 G A 53 -1.268 2.361 -1.704 1.00 0.00 H new ATOM 0 H21 G A 53 -2.279 3.156 -4.954 1.00 0.00 H new ATOM 0 H22 G A 53 -1.627 3.727 -3.414 1.00 0.00 H new ATOM 379 P A A 54 0.121 -4.197 -7.918 1.00 0.00 P ATOM 380 OP1 A A 54 0.431 -4.722 -9.267 1.00 0.00 O ATOM 381 OP2 A A 54 0.516 -4.968 -6.718 1.00 0.00 O ATOM 382 O5' A A 54 0.744 -2.721 -7.797 1.00 0.00 O ATOM 383 C5' A A 54 0.514 -1.752 -8.815 1.00 0.00 C ATOM 384 C4' A A 54 1.041 -0.381 -8.405 1.00 0.00 C ATOM 385 O4' A A 54 0.317 0.123 -7.276 1.00 0.00 O ATOM 386 C3' A A 54 2.496 -0.341 -7.978 1.00 0.00 C ATOM 387 O3' A A 54 3.367 -0.280 -9.104 1.00 0.00 O ATOM 388 C2' A A 54 2.541 0.975 -7.241 1.00 0.00 C ATOM 389 O2' A A 54 2.626 2.082 -8.146 1.00 0.00 O ATOM 390 C1' A A 54 1.213 0.955 -6.509 1.00 0.00 C ATOM 391 N9 A A 54 1.317 0.408 -5.146 1.00 0.00 N ATOM 392 C8 A A 54 1.042 -0.856 -4.691 1.00 0.00 C ATOM 393 N7 A A 54 1.241 -1.009 -3.410 1.00 0.00 N ATOM 394 C5 A A 54 1.681 0.242 -2.992 1.00 0.00 C ATOM 395 C6 A A 54 2.067 0.746 -1.741 1.00 0.00 C ATOM 396 N6 A A 54 2.068 0.015 -0.627 1.00 0.00 N ATOM 397 N1 A A 54 2.451 2.031 -1.688 1.00 0.00 N ATOM 398 C2 A A 54 2.452 2.756 -2.800 1.00 0.00 C ATOM 399 N3 A A 54 2.111 2.400 -4.024 1.00 0.00 N ATOM 400 C4 A A 54 1.730 1.108 -4.046 1.00 0.00 C ATOM 0 H5' A A 54 -0.554 -1.686 -9.023 1.00 0.00 H new ATOM 0 H5'' A A 54 0.999 -2.069 -9.738 1.00 0.00 H new ATOM 0 H4' A A 54 0.918 0.210 -9.313 1.00 0.00 H new ATOM 0 H3' A A 54 2.809 -1.214 -7.405 1.00 0.00 H new ATOM 0 H2' A A 54 3.407 1.090 -6.589 1.00 0.00 H new ATOM 0 HO2' A A 54 2.822 1.753 -9.048 1.00 0.00 H new ATOM 0 H1' A A 54 0.856 1.980 -6.412 1.00 0.00 H new ATOM 0 H8 A A 54 0.693 -1.651 -5.333 1.00 0.00 H new ATOM 0 H61 A A 54 2.359 0.433 0.257 1.00 0.00 H new ATOM 0 H62 A A 54 1.778 -0.962 -0.658 1.00 0.00 H new ATOM 0 H2 A A 54 2.777 3.780 -2.687 1.00 0.00 H new ATOM 412 P U A 55 4.873 -0.838 -9.003 1.00 0.00 P ATOM 413 OP1 U A 55 5.519 -0.690 -10.326 1.00 0.00 O ATOM 414 OP2 U A 55 4.841 -2.157 -8.332 1.00 0.00 O ATOM 415 O5' U A 55 5.525 0.233 -7.993 1.00 0.00 O ATOM 416 C5' U A 55 5.624 1.607 -8.358 1.00 0.00 C ATOM 417 C4' U A 55 6.115 2.462 -7.192 1.00 0.00 C ATOM 418 O4' U A 55 5.176 2.420 -6.117 1.00 0.00 O ATOM 419 C3' U A 55 7.419 2.007 -6.568 1.00 0.00 C ATOM 420 O3' U A 55 8.529 2.473 -7.341 1.00 0.00 O ATOM 421 C2' U A 55 7.373 2.726 -5.232 1.00 0.00 C ATOM 422 O2' U A 55 7.839 4.076 -5.347 1.00 0.00 O ATOM 423 C1' U A 55 5.885 2.675 -4.887 1.00 0.00 C ATOM 424 N1 U A 55 5.558 1.608 -3.923 1.00 0.00 N ATOM 425 C2 U A 55 5.747 1.897 -2.589 1.00 0.00 C ATOM 426 O2 U A 55 6.153 2.994 -2.211 1.00 0.00 O ATOM 427 N3 U A 55 5.455 0.882 -1.700 1.00 0.00 N ATOM 428 C4 U A 55 4.992 -0.379 -2.019 1.00 0.00 C ATOM 429 O4 U A 55 4.756 -1.199 -1.131 1.00 0.00 O ATOM 430 C5 U A 55 4.824 -0.599 -3.441 1.00 0.00 C ATOM 431 C6 U A 55 5.111 0.381 -4.333 1.00 0.00 C ATOM 0 H5' U A 55 4.650 1.967 -8.690 1.00 0.00 H new ATOM 0 H5'' U A 55 6.307 1.712 -9.201 1.00 0.00 H new ATOM 0 H4' U A 55 6.247 3.448 -7.637 1.00 0.00 H new ATOM 0 H3' U A 55 7.532 0.925 -6.497 1.00 0.00 H new ATOM 0 H2' U A 55 8.012 2.276 -4.472 1.00 0.00 H new ATOM 0 HO2' U A 55 8.184 4.227 -6.252 1.00 0.00 H new ATOM 0 H1' U A 55 5.601 3.620 -4.424 1.00 0.00 H new ATOM 0 H3 U A 55 5.595 1.083 -0.710 1.00 0.00 H new ATOM 0 H5 U A 55 4.466 -1.555 -3.795 1.00 0.00 H new ATOM 0 H6 U A 55 4.984 0.190 -5.388 1.00 0.00 H new ATOM 442 P C A 56 9.925 1.664 -7.365 1.00 0.00 P ATOM 443 OP1 C A 56 10.823 2.325 -8.338 1.00 0.00 O ATOM 444 OP2 C A 56 9.617 0.223 -7.511 1.00 0.00 O ATOM 445 O5' C A 56 10.526 1.900 -5.888 1.00 0.00 O ATOM 446 C5' C A 56 10.913 3.204 -5.452 1.00 0.00 C ATOM 447 C4' C A 56 11.339 3.202 -3.984 1.00 0.00 C ATOM 448 O4' C A 56 10.245 2.877 -3.137 1.00 0.00 O ATOM 449 C3' C A 56 12.410 2.187 -3.640 1.00 0.00 C ATOM 450 O3' C A 56 13.700 2.701 -3.990 1.00 0.00 O ATOM 451 C2' C A 56 12.268 2.080 -2.129 1.00 0.00 C ATOM 452 O2' C A 56 13.083 3.049 -1.459 1.00 0.00 O ATOM 453 C1' C A 56 10.776 2.354 -1.904 1.00 0.00 C ATOM 454 N1 C A 56 10.006 1.145 -1.549 1.00 0.00 N ATOM 455 C2 C A 56 10.014 0.753 -0.219 1.00 0.00 C ATOM 456 O2 C A 56 10.637 1.414 0.608 1.00 0.00 O ATOM 457 N3 C A 56 9.322 -0.370 0.131 1.00 0.00 N ATOM 458 C4 C A 56 8.652 -1.075 -0.794 1.00 0.00 C ATOM 459 N4 C A 56 7.982 -2.167 -0.429 1.00 0.00 N ATOM 460 C5 C A 56 8.646 -0.673 -2.166 1.00 0.00 C ATOM 461 C6 C A 56 9.333 0.435 -2.497 1.00 0.00 C ATOM 0 H5' C A 56 10.082 3.896 -5.590 1.00 0.00 H new ATOM 0 H5'' C A 56 11.735 3.566 -6.070 1.00 0.00 H new ATOM 0 H4' C A 56 11.723 4.210 -3.830 1.00 0.00 H new ATOM 0 H3' C A 56 12.310 1.234 -4.159 1.00 0.00 H new ATOM 0 H2' C A 56 12.591 1.117 -1.735 1.00 0.00 H new ATOM 0 HO2' C A 56 13.509 3.633 -2.121 1.00 0.00 H new ATOM 0 H1' C A 56 10.685 3.049 -1.069 1.00 0.00 H new ATOM 0 H41 C A 56 7.470 -2.708 -1.126 1.00 0.00 H new ATOM 0 H42 C A 56 7.981 -2.462 0.547 1.00 0.00 H new ATOM 0 H5 C A 56 8.108 -1.240 -2.911 1.00 0.00 H new ATOM 0 H6 C A 56 9.351 0.765 -3.525 1.00 0.00 H new ATOM 473 P A A 57 14.910 1.709 -4.378 1.00 0.00 P ATOM 474 OP1 A A 57 16.061 2.533 -4.809 1.00 0.00 O ATOM 475 OP2 A A 57 14.376 0.663 -5.279 1.00 0.00 O ATOM 476 O5' A A 57 15.287 1.015 -2.974 1.00 0.00 O ATOM 477 C5' A A 57 15.826 1.785 -1.898 1.00 0.00 C ATOM 478 C4' A A 57 16.052 0.926 -0.656 1.00 0.00 C ATOM 479 O4' A A 57 14.809 0.460 -0.137 1.00 0.00 O ATOM 480 C3' A A 57 16.887 -0.317 -0.900 1.00 0.00 C ATOM 481 O3' A A 57 18.288 -0.021 -0.902 1.00 0.00 O ATOM 482 C2' A A 57 16.484 -1.205 0.263 1.00 0.00 C ATOM 483 O2' A A 57 17.288 -0.949 1.420 1.00 0.00 O ATOM 484 C1' A A 57 15.024 -0.812 0.499 1.00 0.00 C ATOM 485 N9 A A 57 14.054 -1.768 -0.070 1.00 0.00 N ATOM 486 C8 A A 57 13.409 -1.721 -1.279 1.00 0.00 C ATOM 487 N7 A A 57 12.616 -2.733 -1.494 1.00 0.00 N ATOM 488 C5 A A 57 12.746 -3.508 -0.347 1.00 0.00 C ATOM 489 C6 A A 57 12.162 -4.722 0.050 1.00 0.00 C ATOM 490 N6 A A 57 11.292 -5.394 -0.704 1.00 0.00 N ATOM 491 N1 A A 57 12.513 -5.212 1.251 1.00 0.00 N ATOM 492 C2 A A 57 13.379 -4.537 1.997 1.00 0.00 C ATOM 493 N3 A A 57 13.993 -3.392 1.737 1.00 0.00 N ATOM 494 C4 A A 57 13.621 -2.927 0.526 1.00 0.00 C ATOM 0 H5' A A 57 15.146 2.603 -1.658 1.00 0.00 H new ATOM 0 H5'' A A 57 16.769 2.235 -2.208 1.00 0.00 H new ATOM 0 H4' A A 57 16.582 1.584 0.032 1.00 0.00 H new ATOM 0 H3' A A 57 16.716 -0.780 -1.872 1.00 0.00 H new ATOM 0 H2' A A 57 16.616 -2.268 0.059 1.00 0.00 H new ATOM 0 HO2' A A 57 18.064 -0.407 1.166 1.00 0.00 H new ATOM 0 HO3' A A 57 18.796 -0.844 -1.060 1.00 0.00 H new ATOM 0 H1' A A 57 14.862 -0.790 1.577 1.00 0.00 H new ATOM 0 H8 A A 57 13.546 -0.918 -1.989 1.00 0.00 H new ATOM 0 H61 A A 57 10.897 -6.272 -0.367 1.00 0.00 H new ATOM 0 H62 A A 57 11.021 -5.030 -1.617 1.00 0.00 H new ATOM 0 H2 A A 57 13.617 -4.984 2.951 1.00 0.00 H new TER 507 A A 57