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 -4:sc= -0.569 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00516 USER MOD Single : A 43 A O2' : rot 180:sc= -0.186 USER MOD Single : A 44 U O2' : rot -8:sc= -0.0545 USER MOD Single : A 45 C O2' : rot -6:sc= -0.777 USER MOD Single : A 46 U O2' : rot 180:sc= -0.0279 USER MOD Single : A 47 C O2' : rot -147:sc= -1.84! USER MOD Single : A 48 U O2' : rot -117:sc= -6.74! USER MOD Single : A 49 U O2' : rot -48:sc= 0.541 USER MOD Single : A 50 G O2' : rot 6:sc= -5.64! USER MOD Single : A 51 U O2' : rot 180:sc= -4.03! USER MOD Single : A 52 A O2' : rot -3:sc= -0.385 USER MOD Single : A 53 G O2' : rot 180:sc= -0.328 USER MOD Single : A 54 A O2' : rot -1:sc= -1.67! USER MOD Single : A 55 U O2' : rot -2:sc= -0.762 USER MOD Single : A 56 C O2' : rot 11:sc= -1.99! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 128:sc= 0.204 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.336 -5.411 9.457 1.00 0.00 O ATOM 2 C5' G A 42 7.255 -4.986 10.466 1.00 0.00 C ATOM 3 C4' G A 42 8.113 -3.826 9.983 1.00 0.00 C ATOM 4 O4' G A 42 8.989 -4.235 8.934 1.00 0.00 O ATOM 5 C3' G A 42 7.329 -2.651 9.435 1.00 0.00 C ATOM 6 O3' G A 42 6.874 -1.810 10.497 1.00 0.00 O ATOM 7 C2' G A 42 8.381 -1.954 8.608 1.00 0.00 C ATOM 8 O2' G A 42 9.240 -1.144 9.420 1.00 0.00 O ATOM 9 C1' G A 42 9.126 -3.140 8.013 1.00 0.00 C ATOM 10 N9 G A 42 8.587 -3.590 6.722 1.00 0.00 N ATOM 11 C8 G A 42 7.703 -4.605 6.482 1.00 0.00 C ATOM 12 N7 G A 42 7.401 -4.756 5.223 1.00 0.00 N ATOM 13 C5 G A 42 8.141 -3.767 4.581 1.00 0.00 C ATOM 14 C6 G A 42 8.218 -3.443 3.200 1.00 0.00 C ATOM 15 O6 G A 42 7.640 -3.985 2.263 1.00 0.00 O ATOM 16 N1 G A 42 9.080 -2.373 2.973 1.00 0.00 N ATOM 17 C2 G A 42 9.782 -1.704 3.959 1.00 0.00 C ATOM 18 N2 G A 42 10.566 -0.704 3.560 1.00 0.00 N ATOM 19 N3 G A 42 9.708 -2.012 5.258 1.00 0.00 N ATOM 20 C4 G A 42 8.872 -3.049 5.493 1.00 0.00 C ATOM 0 H5' G A 42 7.896 -5.820 10.751 1.00 0.00 H new ATOM 0 H5'' G A 42 6.705 -4.687 11.358 1.00 0.00 H new ATOM 0 H4' G A 42 8.650 -3.512 10.878 1.00 0.00 H new ATOM 0 H3' G A 42 6.433 -2.926 8.878 1.00 0.00 H new ATOM 0 H2' G A 42 7.980 -1.262 7.867 1.00 0.00 H new ATOM 0 HO2' G A 42 8.920 -1.154 10.346 1.00 0.00 H new ATOM 0 HO5' G A 42 5.800 -6.158 9.796 1.00 0.00 H new ATOM 0 H1' G A 42 10.157 -2.827 7.847 1.00 0.00 H new ATOM 0 H8 G A 42 7.292 -5.225 7.265 1.00 0.00 H new ATOM 0 H1 G A 42 9.202 -2.060 2.010 1.00 0.00 H new ATOM 0 H21 G A 42 11.107 -0.176 4.245 1.00 0.00 H new ATOM 0 H22 G A 42 10.625 -0.466 2.570 1.00 0.00 H new ATOM 33 P A A 43 5.547 -0.912 10.322 1.00 0.00 P ATOM 34 OP1 A A 43 5.267 -0.244 11.613 1.00 0.00 O ATOM 35 OP2 A A 43 4.506 -1.748 9.684 1.00 0.00 O ATOM 36 O5' A A 43 6.008 0.212 9.264 1.00 0.00 O ATOM 37 C5' A A 43 7.016 1.163 9.608 1.00 0.00 C ATOM 38 C4' A A 43 7.389 2.051 8.421 1.00 0.00 C ATOM 39 O4' A A 43 8.005 1.282 7.380 1.00 0.00 O ATOM 40 C3' A A 43 6.213 2.745 7.758 1.00 0.00 C ATOM 41 O3' A A 43 5.846 3.919 8.495 1.00 0.00 O ATOM 42 C2' A A 43 6.808 3.104 6.416 1.00 0.00 C ATOM 43 O2' A A 43 7.633 4.273 6.498 1.00 0.00 O ATOM 44 C1' A A 43 7.629 1.857 6.111 1.00 0.00 C ATOM 45 N9 A A 43 6.879 0.839 5.347 1.00 0.00 N ATOM 46 C8 A A 43 6.193 -0.257 5.808 1.00 0.00 C ATOM 47 N7 A A 43 5.602 -0.944 4.870 1.00 0.00 N ATOM 48 C5 A A 43 5.918 -0.255 3.704 1.00 0.00 C ATOM 49 C6 A A 43 5.589 -0.468 2.355 1.00 0.00 C ATOM 50 N6 A A 43 4.839 -1.489 1.932 1.00 0.00 N ATOM 51 N1 A A 43 6.065 0.413 1.463 1.00 0.00 N ATOM 52 C2 A A 43 6.816 1.424 1.882 1.00 0.00 C ATOM 53 N3 A A 43 7.193 1.729 3.111 1.00 0.00 N ATOM 54 C4 A A 43 6.697 0.832 3.987 1.00 0.00 C ATOM 0 H5' A A 43 7.904 0.639 9.963 1.00 0.00 H new ATOM 0 H5'' A A 43 6.663 1.785 10.430 1.00 0.00 H new ATOM 0 H4' A A 43 8.054 2.796 8.857 1.00 0.00 H new ATOM 0 H3' A A 43 5.303 2.148 7.695 1.00 0.00 H new ATOM 0 H2' A A 43 6.070 3.350 5.653 1.00 0.00 H new ATOM 0 HO2' A A 43 8.002 4.475 5.613 1.00 0.00 H new ATOM 0 H1' A A 43 8.483 2.150 5.500 1.00 0.00 H new ATOM 0 H8 A A 43 6.147 -0.526 6.853 1.00 0.00 H new ATOM 0 H61 A A 43 4.633 -1.593 0.939 1.00 0.00 H new ATOM 0 H62 A A 43 4.473 -2.165 2.602 1.00 0.00 H new ATOM 0 H2 A A 43 7.169 2.091 1.109 1.00 0.00 H new ATOM 66 P U A 44 4.328 4.470 8.460 1.00 0.00 P ATOM 67 OP1 U A 44 4.221 5.586 9.426 1.00 0.00 O ATOM 68 OP2 U A 44 3.417 3.309 8.576 1.00 0.00 O ATOM 69 O5' U A 44 4.177 5.078 6.974 1.00 0.00 O ATOM 70 C5' U A 44 4.942 6.224 6.593 1.00 0.00 C ATOM 71 C4' U A 44 4.778 6.572 5.113 1.00 0.00 C ATOM 72 O4' U A 44 5.324 5.536 4.295 1.00 0.00 O ATOM 73 C3' U A 44 3.347 6.736 4.632 1.00 0.00 C ATOM 74 O3' U A 44 2.843 8.039 4.960 1.00 0.00 O ATOM 75 C2' U A 44 3.541 6.596 3.135 1.00 0.00 C ATOM 76 O2' U A 44 4.039 7.807 2.554 1.00 0.00 O ATOM 77 C1' U A 44 4.572 5.477 3.067 1.00 0.00 C ATOM 78 N1 U A 44 3.965 4.137 2.968 1.00 0.00 N ATOM 79 C2 U A 44 3.611 3.696 1.710 1.00 0.00 C ATOM 80 O2 U A 44 3.805 4.370 0.702 1.00 0.00 O ATOM 81 N3 U A 44 3.023 2.450 1.649 1.00 0.00 N ATOM 82 C4 U A 44 2.760 1.614 2.716 1.00 0.00 C ATOM 83 O4 U A 44 2.235 0.517 2.534 1.00 0.00 O ATOM 84 C5 U A 44 3.158 2.154 3.995 1.00 0.00 C ATOM 85 C6 U A 44 3.735 3.378 4.083 1.00 0.00 C ATOM 0 H5' U A 44 5.995 6.041 6.805 1.00 0.00 H new ATOM 0 H5'' U A 44 4.639 7.077 7.199 1.00 0.00 H new ATOM 0 H4' U A 44 5.291 7.529 5.024 1.00 0.00 H new ATOM 0 H3' U A 44 2.635 6.036 5.070 1.00 0.00 H new ATOM 0 H2' U A 44 2.623 6.388 2.585 1.00 0.00 H new ATOM 0 HO2' U A 44 4.029 8.520 3.226 1.00 0.00 H new ATOM 0 H1' U A 44 5.182 5.620 2.175 1.00 0.00 H new ATOM 0 H3 U A 44 2.756 2.113 0.724 1.00 0.00 H new ATOM 0 H5 U A 44 2.994 1.576 4.892 1.00 0.00 H new ATOM 0 H6 U A 44 4.019 3.761 5.052 1.00 0.00 H new ATOM 96 P C A 45 1.258 8.274 5.181 1.00 0.00 P ATOM 97 OP1 C A 45 1.060 9.665 5.646 1.00 0.00 O ATOM 98 OP2 C A 45 0.734 7.149 5.987 1.00 0.00 O ATOM 99 O5' C A 45 0.648 8.152 3.692 1.00 0.00 O ATOM 100 C5' C A 45 0.984 9.123 2.698 1.00 0.00 C ATOM 101 C4' C A 45 0.453 8.750 1.312 1.00 0.00 C ATOM 102 O4' C A 45 1.099 7.573 0.833 1.00 0.00 O ATOM 103 C3' C A 45 -1.033 8.448 1.220 1.00 0.00 C ATOM 104 O3' C A 45 -1.792 9.657 1.130 1.00 0.00 O ATOM 105 C2' C A 45 -1.099 7.683 -0.083 1.00 0.00 C ATOM 106 O2' C A 45 -1.102 8.563 -1.213 1.00 0.00 O ATOM 107 C1' C A 45 0.179 6.859 -0.016 1.00 0.00 C ATOM 108 N1 C A 45 -0.029 5.524 0.568 1.00 0.00 N ATOM 109 C2 C A 45 -0.480 4.529 -0.276 1.00 0.00 C ATOM 110 O2 C A 45 -0.696 4.783 -1.462 1.00 0.00 O ATOM 111 N3 C A 45 -0.678 3.284 0.244 1.00 0.00 N ATOM 112 C4 C A 45 -0.437 3.032 1.536 1.00 0.00 C ATOM 113 N4 C A 45 -0.633 1.801 2.009 1.00 0.00 N ATOM 114 C5 C A 45 0.026 4.063 2.411 1.00 0.00 C ATOM 115 C6 C A 45 0.208 5.289 1.888 1.00 0.00 C ATOM 0 H5' C A 45 2.068 9.231 2.652 1.00 0.00 H new ATOM 0 H5'' C A 45 0.579 10.092 2.990 1.00 0.00 H new ATOM 0 H4' C A 45 0.658 9.647 0.727 1.00 0.00 H new ATOM 0 H3' C A 45 -1.435 7.912 2.080 1.00 0.00 H new ATOM 0 H2' C A 45 -2.004 7.088 -0.203 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.164 9.491 -0.905 1.00 0.00 H new ATOM 0 H1' C A 45 0.549 6.719 -1.032 1.00 0.00 H new ATOM 0 H41 C A 45 -0.452 1.598 2.992 1.00 0.00 H new ATOM 0 H42 C A 45 -0.963 1.063 1.388 1.00 0.00 H new ATOM 0 H5 C A 45 0.223 3.865 3.454 1.00 0.00 H new ATOM 0 H6 C A 45 0.546 6.095 2.522 1.00 0.00 H new ATOM 127 P U A 46 -3.328 9.711 1.622 1.00 0.00 P ATOM 128 OP1 U A 46 -3.793 11.113 1.533 1.00 0.00 O ATOM 129 OP2 U A 46 -3.426 8.983 2.908 1.00 0.00 O ATOM 130 O5' U A 46 -4.103 8.849 0.496 1.00 0.00 O ATOM 131 C5' U A 46 -4.154 9.318 -0.855 1.00 0.00 C ATOM 132 C4' U A 46 -4.825 8.318 -1.805 1.00 0.00 C ATOM 133 O4' U A 46 -4.049 7.118 -1.902 1.00 0.00 O ATOM 134 C3' U A 46 -6.206 7.854 -1.383 1.00 0.00 C ATOM 135 O3' U A 46 -7.190 8.833 -1.752 1.00 0.00 O ATOM 136 C2' U A 46 -6.344 6.597 -2.222 1.00 0.00 C ATOM 137 O2' U A 46 -6.672 6.903 -3.582 1.00 0.00 O ATOM 138 C1' U A 46 -4.945 6.003 -2.102 1.00 0.00 C ATOM 139 N1 U A 46 -4.807 5.094 -0.947 1.00 0.00 N ATOM 140 C2 U A 46 -5.188 3.776 -1.121 1.00 0.00 C ATOM 141 O2 U A 46 -5.576 3.342 -2.201 1.00 0.00 O ATOM 142 N3 U A 46 -5.102 2.968 -0.004 1.00 0.00 N ATOM 143 C4 U A 46 -4.675 3.353 1.252 1.00 0.00 C ATOM 144 O4 U A 46 -4.644 2.545 2.175 1.00 0.00 O ATOM 145 C5 U A 46 -4.296 4.744 1.344 1.00 0.00 C ATOM 146 C6 U A 46 -4.373 5.558 0.264 1.00 0.00 C ATOM 0 H5' U A 46 -3.141 9.520 -1.203 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.696 10.263 -0.887 1.00 0.00 H new ATOM 0 H4' U A 46 -4.902 8.872 -2.740 1.00 0.00 H new ATOM 0 H3' U A 46 -6.338 7.697 -0.312 1.00 0.00 H new ATOM 0 H2' U A 46 -7.142 5.929 -1.896 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.752 6.071 -4.094 1.00 0.00 H new ATOM 0 H1' U A 46 -4.728 5.422 -2.998 1.00 0.00 H new ATOM 0 H3 U A 46 -5.381 1.993 -0.118 1.00 0.00 H new ATOM 0 H5 U A 46 -3.947 5.140 2.286 1.00 0.00 H new ATOM 0 H6 U A 46 -4.086 6.595 0.361 1.00 0.00 H new ATOM 157 P C A 47 -8.561 8.984 -0.906 1.00 0.00 P ATOM 158 OP1 C A 47 -9.287 10.166 -1.423 1.00 0.00 O ATOM 159 OP2 C A 47 -8.221 8.906 0.532 1.00 0.00 O ATOM 160 O5' C A 47 -9.411 7.669 -1.290 1.00 0.00 O ATOM 161 C5' C A 47 -9.896 7.492 -2.623 1.00 0.00 C ATOM 162 C4' C A 47 -10.548 6.124 -2.828 1.00 0.00 C ATOM 163 O4' C A 47 -9.583 5.092 -2.725 1.00 0.00 O ATOM 164 C3' C A 47 -11.639 5.757 -1.842 1.00 0.00 C ATOM 165 O3' C A 47 -12.876 6.369 -2.236 1.00 0.00 O ATOM 166 C2' C A 47 -11.697 4.249 -1.998 1.00 0.00 C ATOM 167 O2' C A 47 -12.524 3.876 -3.102 1.00 0.00 O ATOM 168 C1' C A 47 -10.228 3.893 -2.256 1.00 0.00 C ATOM 169 N1 C A 47 -9.503 3.472 -1.052 1.00 0.00 N ATOM 170 C2 C A 47 -9.575 2.143 -0.689 1.00 0.00 C ATOM 171 O2 C A 47 -10.236 1.362 -1.369 1.00 0.00 O ATOM 172 N3 C A 47 -8.901 1.742 0.427 1.00 0.00 N ATOM 173 C4 C A 47 -8.191 2.623 1.150 1.00 0.00 C ATOM 174 N4 C A 47 -7.535 2.209 2.231 1.00 0.00 N ATOM 175 C5 C A 47 -8.127 4.001 0.776 1.00 0.00 C ATOM 176 C6 C A 47 -8.798 4.378 -0.325 1.00 0.00 C ATOM 0 H5' C A 47 -9.071 7.607 -3.326 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.620 8.275 -2.850 1.00 0.00 H new ATOM 0 H4' C A 47 -10.996 6.212 -3.818 1.00 0.00 H new ATOM 0 H3' C A 47 -11.459 6.081 -0.817 1.00 0.00 H new ATOM 0 H2' C A 47 -12.126 3.735 -1.138 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.968 3.025 -2.905 1.00 0.00 H new ATOM 0 H1' C A 47 -10.211 3.064 -2.963 1.00 0.00 H new ATOM 0 H41 C A 47 -6.994 2.873 2.785 1.00 0.00 H new ATOM 0 H42 C A 47 -7.573 1.228 2.506 1.00 0.00 H new ATOM 0 H5 C A 47 -7.560 4.713 1.357 1.00 0.00 H new ATOM 0 H6 C A 47 -8.777 5.412 -0.636 1.00 0.00 H new ATOM 188 P U A 48 -14.022 6.714 -1.152 1.00 0.00 P ATOM 189 OP1 U A 48 -15.074 7.502 -1.832 1.00 0.00 O ATOM 190 OP2 U A 48 -13.362 7.260 0.055 1.00 0.00 O ATOM 191 O5' U A 48 -14.643 5.272 -0.773 1.00 0.00 O ATOM 192 C5' U A 48 -16.066 5.134 -0.635 1.00 0.00 C ATOM 193 C4' U A 48 -16.504 3.692 -0.381 1.00 0.00 C ATOM 194 O4' U A 48 -16.293 2.895 -1.554 1.00 0.00 O ATOM 195 C3' U A 48 -15.764 3.018 0.774 1.00 0.00 C ATOM 196 O3' U A 48 -16.695 2.191 1.494 1.00 0.00 O ATOM 197 C2' U A 48 -14.758 2.147 0.041 1.00 0.00 C ATOM 198 O2' U A 48 -14.360 1.014 0.812 1.00 0.00 O ATOM 199 C1' U A 48 -15.543 1.743 -1.183 1.00 0.00 C ATOM 200 N1 U A 48 -14.722 1.345 -2.334 1.00 0.00 N ATOM 201 C2 U A 48 -14.284 0.036 -2.388 1.00 0.00 C ATOM 202 O2 U A 48 -14.551 -0.780 -1.509 1.00 0.00 O ATOM 203 N3 U A 48 -13.524 -0.303 -3.493 1.00 0.00 N ATOM 204 C4 U A 48 -13.171 0.544 -4.530 1.00 0.00 C ATOM 205 O4 U A 48 -12.488 0.135 -5.467 1.00 0.00 O ATOM 206 C5 U A 48 -13.674 1.892 -4.386 1.00 0.00 C ATOM 207 C6 U A 48 -14.420 2.243 -3.311 1.00 0.00 C ATOM 0 H5' U A 48 -16.551 5.501 -1.540 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.408 5.762 0.187 1.00 0.00 H new ATOM 0 H4' U A 48 -17.560 3.753 -0.118 1.00 0.00 H new ATOM 0 H3' U A 48 -15.309 3.704 1.489 1.00 0.00 H new ATOM 0 H2' U A 48 -13.819 2.655 -0.179 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.401 1.071 1.007 1.00 0.00 H new ATOM 0 H1' U A 48 -16.142 0.869 -0.930 1.00 0.00 H new ATOM 0 H3 U A 48 -13.193 -1.266 -3.549 1.00 0.00 H new ATOM 0 H5 U A 48 -13.452 2.628 -5.145 1.00 0.00 H new ATOM 0 H6 U A 48 -14.783 3.257 -3.228 1.00 0.00 H new ATOM 218 P U A 49 -16.596 1.897 3.086 1.00 0.00 P ATOM 219 OP1 U A 49 -17.796 1.125 3.480 1.00 0.00 O ATOM 220 OP2 U A 49 -16.296 3.176 3.767 1.00 0.00 O ATOM 221 O5' U A 49 -15.314 0.935 3.251 1.00 0.00 O ATOM 222 C5' U A 49 -15.286 -0.362 2.661 1.00 0.00 C ATOM 223 C4' U A 49 -13.953 -1.062 2.915 1.00 0.00 C ATOM 224 O4' U A 49 -12.913 -0.297 2.281 1.00 0.00 O ATOM 225 C3' U A 49 -13.566 -1.186 4.391 1.00 0.00 C ATOM 226 O3' U A 49 -12.968 -2.469 4.583 1.00 0.00 O ATOM 227 C2' U A 49 -12.526 -0.111 4.623 1.00 0.00 C ATOM 228 O2' U A 49 -11.543 -0.534 5.575 1.00 0.00 O ATOM 229 C1' U A 49 -11.917 0.084 3.249 1.00 0.00 C ATOM 230 N1 U A 49 -11.514 1.484 2.996 1.00 0.00 N ATOM 231 C2 U A 49 -10.265 1.874 3.443 1.00 0.00 C ATOM 232 O2 U A 49 -9.497 1.092 3.998 1.00 0.00 O ATOM 233 N3 U A 49 -9.930 3.199 3.232 1.00 0.00 N ATOM 234 C4 U A 49 -10.722 4.154 2.619 1.00 0.00 C ATOM 235 O4 U A 49 -10.319 5.307 2.480 1.00 0.00 O ATOM 236 C5 U A 49 -12.008 3.659 2.185 1.00 0.00 C ATOM 237 C6 U A 49 -12.360 2.366 2.385 1.00 0.00 C ATOM 0 H5' U A 49 -15.456 -0.279 1.588 1.00 0.00 H new ATOM 0 H5'' U A 49 -16.098 -0.965 3.066 1.00 0.00 H new ATOM 0 H4' U A 49 -14.067 -2.071 2.519 1.00 0.00 H new ATOM 0 H3' U A 49 -14.416 -1.079 5.065 1.00 0.00 H new ATOM 0 H2' U A 49 -12.945 0.806 5.036 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.990 -0.919 6.357 1.00 0.00 H new ATOM 0 H1' U A 49 -11.015 -0.524 3.179 1.00 0.00 H new ATOM 0 H3 U A 49 -9.012 3.501 3.559 1.00 0.00 H new ATOM 0 H5 U A 49 -12.698 4.329 1.694 1.00 0.00 H new ATOM 0 H6 U A 49 -13.330 2.025 2.054 1.00 0.00 H new ATOM 248 P G A 50 -12.962 -3.210 6.011 1.00 0.00 P ATOM 249 OP1 G A 50 -14.361 -3.349 6.474 1.00 0.00 O ATOM 250 OP2 G A 50 -11.953 -2.557 6.875 1.00 0.00 O ATOM 251 O5' G A 50 -12.415 -4.665 5.596 1.00 0.00 O ATOM 252 C5' G A 50 -13.227 -5.527 4.796 1.00 0.00 C ATOM 253 C4' G A 50 -12.411 -6.254 3.739 1.00 0.00 C ATOM 254 O4' G A 50 -11.946 -5.344 2.748 1.00 0.00 O ATOM 255 C3' G A 50 -11.181 -6.965 4.248 1.00 0.00 C ATOM 256 O3' G A 50 -11.506 -8.260 4.724 1.00 0.00 O ATOM 257 C2' G A 50 -10.299 -7.040 3.031 1.00 0.00 C ATOM 258 O2' G A 50 -10.653 -8.145 2.192 1.00 0.00 O ATOM 259 C1' G A 50 -10.605 -5.710 2.362 1.00 0.00 C ATOM 260 N9 G A 50 -9.729 -4.601 2.774 1.00 0.00 N ATOM 261 C8 G A 50 -8.912 -4.500 3.869 1.00 0.00 C ATOM 262 N7 G A 50 -8.265 -3.373 3.943 1.00 0.00 N ATOM 263 C5 G A 50 -8.680 -2.678 2.814 1.00 0.00 C ATOM 264 C6 G A 50 -8.319 -1.384 2.364 1.00 0.00 C ATOM 265 O6 G A 50 -7.528 -0.599 2.880 1.00 0.00 O ATOM 266 N1 G A 50 -8.978 -1.053 1.183 1.00 0.00 N ATOM 267 C2 G A 50 -9.864 -1.879 0.516 1.00 0.00 C ATOM 268 N2 G A 50 -10.394 -1.407 -0.610 1.00 0.00 N ATOM 269 N3 G A 50 -10.197 -3.097 0.942 1.00 0.00 N ATOM 270 C4 G A 50 -9.572 -3.426 2.092 1.00 0.00 C ATOM 0 H5' G A 50 -14.010 -4.943 4.312 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.723 -6.256 5.437 1.00 0.00 H new ATOM 0 H4' G A 50 -13.107 -6.998 3.352 1.00 0.00 H new ATOM 0 H3' G A 50 -10.707 -6.455 5.087 1.00 0.00 H new ATOM 0 H2' G A 50 -9.243 -7.196 3.253 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.463 -8.574 2.540 1.00 0.00 H new ATOM 0 H1' G A 50 -10.461 -5.853 1.291 1.00 0.00 H new ATOM 0 H8 G A 50 -8.814 -5.285 4.605 1.00 0.00 H new ATOM 0 H1 G A 50 -8.794 -0.134 0.780 1.00 0.00 H new ATOM 0 H21 G A 50 -11.053 -1.976 -1.141 1.00 0.00 H new ATOM 0 H22 G A 50 -10.141 -0.476 -0.942 1.00 0.00 H new ATOM 282 P U A 51 -10.363 -9.105 5.450 1.00 0.00 P ATOM 283 OP1 U A 51 -10.967 -10.331 6.018 1.00 0.00 O ATOM 284 OP2 U A 51 -9.570 -8.194 6.306 1.00 0.00 O ATOM 285 O5' U A 51 -9.476 -9.512 4.168 1.00 0.00 O ATOM 286 C5' U A 51 -8.127 -9.940 4.297 1.00 0.00 C ATOM 287 C4' U A 51 -7.596 -10.479 2.972 1.00 0.00 C ATOM 288 O4' U A 51 -8.345 -11.644 2.618 1.00 0.00 O ATOM 289 C3' U A 51 -7.683 -9.514 1.790 1.00 0.00 C ATOM 290 O3' U A 51 -6.519 -9.716 0.986 1.00 0.00 O ATOM 291 C2' U A 51 -8.921 -9.938 1.019 1.00 0.00 C ATOM 292 O2' U A 51 -8.699 -9.852 -0.393 1.00 0.00 O ATOM 293 C1' U A 51 -9.141 -11.389 1.451 1.00 0.00 C ATOM 294 N1 U A 51 -10.550 -11.736 1.781 1.00 0.00 N ATOM 295 C2 U A 51 -11.074 -12.891 1.220 1.00 0.00 C ATOM 296 O2 U A 51 -10.413 -13.612 0.477 1.00 0.00 O ATOM 297 N3 U A 51 -12.384 -13.190 1.546 1.00 0.00 N ATOM 298 C4 U A 51 -13.210 -12.449 2.371 1.00 0.00 C ATOM 299 O4 U A 51 -14.365 -12.810 2.588 1.00 0.00 O ATOM 300 C5 U A 51 -12.588 -11.265 2.916 1.00 0.00 C ATOM 301 C6 U A 51 -11.305 -10.948 2.615 1.00 0.00 C ATOM 0 H5' U A 51 -8.059 -10.713 5.062 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.508 -9.107 4.629 1.00 0.00 H new ATOM 0 H4' U A 51 -6.537 -10.672 3.146 1.00 0.00 H new ATOM 0 H3' U A 51 -7.739 -8.466 2.086 1.00 0.00 H new ATOM 0 H2' U A 51 -9.783 -9.303 1.223 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.509 -10.131 -0.869 1.00 0.00 H new ATOM 0 H1' U A 51 -8.858 -12.001 0.595 1.00 0.00 H new ATOM 0 H3 U A 51 -12.779 -14.038 1.139 1.00 0.00 H new ATOM 0 H5 U A 51 -13.154 -10.622 3.574 1.00 0.00 H new ATOM 0 H6 U A 51 -10.867 -10.057 3.040 1.00 0.00 H new ATOM 312 P A A 52 -5.340 -8.628 0.842 1.00 0.00 P ATOM 313 OP1 A A 52 -4.216 -9.263 0.118 1.00 0.00 O ATOM 314 OP2 A A 52 -5.109 -8.021 2.172 1.00 0.00 O ATOM 315 O5' A A 52 -5.982 -7.508 -0.115 1.00 0.00 O ATOM 316 C5' A A 52 -6.888 -7.885 -1.151 1.00 0.00 C ATOM 317 C4' A A 52 -7.208 -6.718 -2.077 1.00 0.00 C ATOM 318 O4' A A 52 -7.895 -5.661 -1.390 1.00 0.00 O ATOM 319 C3' A A 52 -5.969 -6.076 -2.671 1.00 0.00 C ATOM 320 O3' A A 52 -5.540 -6.844 -3.804 1.00 0.00 O ATOM 321 C2' A A 52 -6.497 -4.720 -3.088 1.00 0.00 C ATOM 322 O2' A A 52 -7.208 -4.792 -4.330 1.00 0.00 O ATOM 323 C1' A A 52 -7.432 -4.401 -1.927 1.00 0.00 C ATOM 324 N9 A A 52 -6.789 -3.660 -0.830 1.00 0.00 N ATOM 325 C8 A A 52 -6.374 -4.122 0.393 1.00 0.00 C ATOM 326 N7 A A 52 -5.881 -3.193 1.167 1.00 0.00 N ATOM 327 C5 A A 52 -5.977 -2.035 0.399 1.00 0.00 C ATOM 328 C6 A A 52 -5.619 -0.698 0.644 1.00 0.00 C ATOM 329 N6 A A 52 -5.075 -0.286 1.786 1.00 0.00 N ATOM 330 N1 A A 52 -5.847 0.192 -0.337 1.00 0.00 N ATOM 331 C2 A A 52 -6.392 -0.225 -1.474 1.00 0.00 C ATOM 332 N3 A A 52 -6.772 -1.444 -1.820 1.00 0.00 N ATOM 333 C4 A A 52 -6.529 -2.313 -0.817 1.00 0.00 C ATOM 0 H5' A A 52 -7.810 -8.261 -0.708 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.457 -8.701 -1.731 1.00 0.00 H new ATOM 0 H4' A A 52 -7.825 -7.161 -2.859 1.00 0.00 H new ATOM 0 H3' A A 52 -5.110 -6.014 -2.003 1.00 0.00 H new ATOM 0 H2' A A 52 -5.724 -3.971 -3.261 1.00 0.00 H new ATOM 0 HO2' A A 52 -7.163 -5.706 -4.680 1.00 0.00 H new ATOM 0 H1' A A 52 -8.231 -3.769 -2.316 1.00 0.00 H new ATOM 0 H8 A A 52 -6.448 -5.158 0.688 1.00 0.00 H new ATOM 0 H61 A A 52 -4.834 0.697 1.911 1.00 0.00 H new ATOM 0 H62 A A 52 -4.899 -0.953 2.537 1.00 0.00 H new ATOM 0 H2 A A 52 -6.547 0.539 -2.222 1.00 0.00 H new ATOM 345 P G A 53 -3.995 -6.870 -4.262 1.00 0.00 P ATOM 346 OP1 G A 53 -3.856 -7.843 -5.369 1.00 0.00 O ATOM 347 OP2 G A 53 -3.155 -7.006 -3.051 1.00 0.00 O ATOM 348 O5' G A 53 -3.779 -5.396 -4.859 1.00 0.00 O ATOM 349 C5' G A 53 -4.472 -4.985 -6.037 1.00 0.00 C ATOM 350 C4' G A 53 -4.234 -3.510 -6.321 1.00 0.00 C ATOM 351 O4' G A 53 -4.799 -2.710 -5.282 1.00 0.00 O ATOM 352 C3' G A 53 -2.773 -3.109 -6.386 1.00 0.00 C ATOM 353 O3' G A 53 -2.223 -3.409 -7.673 1.00 0.00 O ATOM 354 C2' G A 53 -2.886 -1.610 -6.183 1.00 0.00 C ATOM 355 O2' G A 53 -3.299 -0.946 -7.383 1.00 0.00 O ATOM 356 C1' G A 53 -3.969 -1.549 -5.107 1.00 0.00 C ATOM 357 N9 G A 53 -3.421 -1.575 -3.743 1.00 0.00 N ATOM 358 C8 G A 53 -3.224 -2.644 -2.907 1.00 0.00 C ATOM 359 N7 G A 53 -2.669 -2.329 -1.770 1.00 0.00 N ATOM 360 C5 G A 53 -2.481 -0.954 -1.861 1.00 0.00 C ATOM 361 C6 G A 53 -1.913 -0.051 -0.926 1.00 0.00 C ATOM 362 O6 G A 53 -1.465 -0.299 0.194 1.00 0.00 O ATOM 363 N1 G A 53 -1.910 1.254 -1.417 1.00 0.00 N ATOM 364 C2 G A 53 -2.399 1.635 -2.655 1.00 0.00 C ATOM 365 N2 G A 53 -2.318 2.930 -2.964 1.00 0.00 N ATOM 366 N3 G A 53 -2.934 0.782 -3.527 1.00 0.00 N ATOM 367 C4 G A 53 -2.941 -0.488 -3.066 1.00 0.00 C ATOM 0 H5' G A 53 -5.540 -5.169 -5.918 1.00 0.00 H new ATOM 0 H5'' G A 53 -4.139 -5.581 -6.886 1.00 0.00 H new ATOM 0 H4' G A 53 -4.694 -3.348 -7.296 1.00 0.00 H new ATOM 0 H3' G A 53 -2.126 -3.618 -5.671 1.00 0.00 H new ATOM 0 H2' G A 53 -1.951 -1.119 -5.912 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.364 0.018 -7.218 1.00 0.00 H new ATOM 0 H1' G A 53 -4.515 -0.612 -5.217 1.00 0.00 H new ATOM 0 H8 G A 53 -3.503 -3.654 -3.167 1.00 0.00 H new ATOM 0 H1 G A 53 -1.518 1.982 -0.820 1.00 0.00 H new ATOM 0 H21 G A 53 -2.664 3.262 -3.864 1.00 0.00 H new ATOM 0 H22 G A 53 -1.910 3.588 -2.300 1.00 0.00 H new ATOM 379 P A A 54 -0.652 -3.740 -7.837 1.00 0.00 P ATOM 380 OP1 A A 54 -0.400 -4.101 -9.250 1.00 0.00 O ATOM 381 OP2 A A 54 -0.261 -4.672 -6.756 1.00 0.00 O ATOM 382 O5' A A 54 0.040 -2.318 -7.549 1.00 0.00 O ATOM 383 C5' A A 54 -0.173 -1.215 -8.423 1.00 0.00 C ATOM 384 C4' A A 54 0.443 0.062 -7.862 1.00 0.00 C ATOM 385 O4' A A 54 -0.210 0.449 -6.646 1.00 0.00 O ATOM 386 C3' A A 54 1.913 -0.030 -7.496 1.00 0.00 C ATOM 387 O3' A A 54 2.741 0.135 -8.646 1.00 0.00 O ATOM 388 C2' A A 54 2.062 1.168 -6.593 1.00 0.00 C ATOM 389 O2' A A 54 2.190 2.381 -7.343 1.00 0.00 O ATOM 390 C1' A A 54 0.758 1.129 -5.820 1.00 0.00 C ATOM 391 N9 A A 54 0.868 0.416 -4.534 1.00 0.00 N ATOM 392 C8 A A 54 0.501 -0.866 -4.213 1.00 0.00 C ATOM 393 N7 A A 54 0.716 -1.177 -2.964 1.00 0.00 N ATOM 394 C5 A A 54 1.268 -0.019 -2.424 1.00 0.00 C ATOM 395 C6 A A 54 1.724 0.309 -1.137 1.00 0.00 C ATOM 396 N6 A A 54 1.690 -0.537 -0.107 1.00 0.00 N ATOM 397 N1 A A 54 2.214 1.545 -0.958 1.00 0.00 N ATOM 398 C2 A A 54 2.249 2.388 -1.982 1.00 0.00 C ATOM 399 N3 A A 54 1.850 2.200 -3.226 1.00 0.00 N ATOM 400 C4 A A 54 1.362 0.953 -3.377 1.00 0.00 C ATOM 0 H5' A A 54 -1.243 -1.069 -8.575 1.00 0.00 H new ATOM 0 H5'' A A 54 0.261 -1.432 -9.399 1.00 0.00 H new ATOM 0 H4' A A 54 0.320 0.773 -8.679 1.00 0.00 H new ATOM 0 H3' A A 54 2.198 -0.985 -7.055 1.00 0.00 H new ATOM 0 H2' A A 54 2.953 1.141 -5.965 1.00 0.00 H new ATOM 0 HO2' A A 54 2.173 2.176 -8.301 1.00 0.00 H new ATOM 0 H1' A A 54 0.467 2.154 -5.588 1.00 0.00 H new ATOM 0 H8 A A 54 0.074 -1.554 -4.927 1.00 0.00 H new ATOM 0 H61 A A 54 2.036 -0.243 0.806 1.00 0.00 H new ATOM 0 H62 A A 54 1.318 -1.478 -0.232 1.00 0.00 H new ATOM 0 H2 A A 54 2.661 3.363 -1.768 1.00 0.00 H new ATOM 412 P U A 55 4.217 -0.505 -8.695 1.00 0.00 P ATOM 413 OP1 U A 55 4.804 -0.228 -10.025 1.00 0.00 O ATOM 414 OP2 U A 55 4.144 -1.893 -8.188 1.00 0.00 O ATOM 415 O5' U A 55 4.979 0.398 -7.602 1.00 0.00 O ATOM 416 C5' U A 55 5.142 1.799 -7.810 1.00 0.00 C ATOM 417 C4' U A 55 5.731 2.487 -6.579 1.00 0.00 C ATOM 418 O4' U A 55 4.834 2.368 -5.474 1.00 0.00 O ATOM 419 C3' U A 55 7.033 1.899 -6.068 1.00 0.00 C ATOM 420 O3' U A 55 8.141 2.391 -6.830 1.00 0.00 O ATOM 421 C2' U A 55 7.078 2.465 -4.662 1.00 0.00 C ATOM 422 O2' U A 55 7.607 3.796 -4.647 1.00 0.00 O ATOM 423 C1' U A 55 5.606 2.443 -4.258 1.00 0.00 C ATOM 424 N1 U A 55 5.268 1.285 -3.410 1.00 0.00 N ATOM 425 C2 U A 55 5.528 1.406 -2.063 1.00 0.00 C ATOM 426 O2 U A 55 5.994 2.436 -1.579 1.00 0.00 O ATOM 427 N3 U A 55 5.234 0.303 -1.287 1.00 0.00 N ATOM 428 C4 U A 55 4.703 -0.893 -1.731 1.00 0.00 C ATOM 429 O4 U A 55 4.474 -1.805 -0.937 1.00 0.00 O ATOM 430 C5 U A 55 4.462 -0.933 -3.159 1.00 0.00 C ATOM 431 C6 U A 55 4.751 0.135 -3.940 1.00 0.00 C ATOM 0 H5' U A 55 4.177 2.246 -8.050 1.00 0.00 H new ATOM 0 H5'' U A 55 5.794 1.966 -8.668 1.00 0.00 H new ATOM 0 H4' U A 55 5.903 3.509 -6.917 1.00 0.00 H new ATOM 0 H3' U A 55 7.087 0.812 -6.125 1.00 0.00 H new ATOM 0 H2' U A 55 7.725 1.904 -3.987 1.00 0.00 H new ATOM 0 HO2' U A 55 7.868 4.055 -5.556 1.00 0.00 H new ATOM 0 H1' U A 55 5.388 3.340 -3.678 1.00 0.00 H new ATOM 0 H3 U A 55 5.428 0.378 -0.288 1.00 0.00 H new ATOM 0 H5 U A 55 4.047 -1.825 -3.606 1.00 0.00 H new ATOM 0 H6 U A 55 4.570 0.077 -5.003 1.00 0.00 H new ATOM 442 P C A 56 9.490 1.517 -6.992 1.00 0.00 P ATOM 443 OP1 C A 56 10.392 2.232 -7.922 1.00 0.00 O ATOM 444 OP2 C A 56 9.099 0.118 -7.277 1.00 0.00 O ATOM 445 O5' C A 56 10.151 1.562 -5.520 1.00 0.00 O ATOM 446 C5' C A 56 10.625 2.789 -4.963 1.00 0.00 C ATOM 447 C4' C A 56 11.152 2.599 -3.539 1.00 0.00 C ATOM 448 O4' C A 56 10.106 2.229 -2.653 1.00 0.00 O ATOM 449 C3' C A 56 12.201 1.517 -3.385 1.00 0.00 C ATOM 450 O3' C A 56 13.479 2.042 -3.762 1.00 0.00 O ATOM 451 C2' C A 56 12.148 1.222 -1.893 1.00 0.00 C ATOM 452 O2' C A 56 13.058 2.053 -1.163 1.00 0.00 O ATOM 453 C1' C A 56 10.689 1.537 -1.533 1.00 0.00 C ATOM 454 N1 C A 56 9.866 0.341 -1.272 1.00 0.00 N ATOM 455 C2 C A 56 9.931 -0.218 -0.006 1.00 0.00 C ATOM 456 O2 C A 56 10.666 0.279 0.845 1.00 0.00 O ATOM 457 N3 C A 56 9.166 -1.318 0.257 1.00 0.00 N ATOM 458 C4 C A 56 8.375 -1.842 -0.693 1.00 0.00 C ATOM 459 N4 C A 56 7.634 -2.912 -0.414 1.00 0.00 N ATOM 460 C5 C A 56 8.314 -1.269 -2.000 1.00 0.00 C ATOM 461 C6 C A 56 9.071 -0.186 -2.245 1.00 0.00 C ATOM 0 H5' C A 56 9.818 3.522 -4.957 1.00 0.00 H new ATOM 0 H5'' C A 56 11.417 3.192 -5.593 1.00 0.00 H new ATOM 0 H4' C A 56 11.594 3.567 -3.306 1.00 0.00 H new ATOM 0 H3' C A 56 12.036 0.632 -3.999 1.00 0.00 H new ATOM 0 H2' C A 56 12.440 0.201 -1.647 1.00 0.00 H new ATOM 0 HO2' C A 56 13.404 2.755 -1.752 1.00 0.00 H new ATOM 0 H1' C A 56 10.703 2.125 -0.615 1.00 0.00 H new ATOM 0 H41 C A 56 7.031 -3.316 -1.131 1.00 0.00 H new ATOM 0 H42 C A 56 7.670 -3.328 0.516 1.00 0.00 H new ATOM 0 H5 C A 56 7.681 -1.692 -2.766 1.00 0.00 H new ATOM 0 H6 C A 56 9.049 0.271 -3.223 1.00 0.00 H new ATOM 473 P A A 57 14.649 1.091 -4.331 1.00 0.00 P ATOM 474 OP1 A A 57 15.772 1.952 -4.762 1.00 0.00 O ATOM 475 OP2 A A 57 14.043 0.140 -5.290 1.00 0.00 O ATOM 476 O5' A A 57 15.125 0.259 -3.035 1.00 0.00 O ATOM 477 C5' A A 57 15.736 0.928 -1.928 1.00 0.00 C ATOM 478 C4' A A 57 16.099 -0.044 -0.806 1.00 0.00 C ATOM 479 O4' A A 57 14.898 -0.556 -0.206 1.00 0.00 O ATOM 480 C3' A A 57 16.919 -1.247 -1.280 1.00 0.00 C ATOM 481 O3' A A 57 17.947 -1.579 -0.339 1.00 0.00 O ATOM 482 C2' A A 57 15.890 -2.356 -1.369 1.00 0.00 C ATOM 483 O2' A A 57 16.479 -3.642 -1.148 1.00 0.00 O ATOM 484 C1' A A 57 14.926 -1.985 -0.261 1.00 0.00 C ATOM 485 N9 A A 57 13.550 -2.473 -0.470 1.00 0.00 N ATOM 486 C8 A A 57 12.768 -2.393 -1.593 1.00 0.00 C ATOM 487 N7 A A 57 11.599 -2.958 -1.463 1.00 0.00 N ATOM 488 C5 A A 57 11.609 -3.446 -0.160 1.00 0.00 C ATOM 489 C6 A A 57 10.660 -4.153 0.597 1.00 0.00 C ATOM 490 N6 A A 57 9.466 -4.507 0.124 1.00 0.00 N ATOM 491 N1 A A 57 10.994 -4.479 1.857 1.00 0.00 N ATOM 492 C2 A A 57 12.186 -4.126 2.322 1.00 0.00 C ATOM 493 N3 A A 57 13.159 -3.466 1.713 1.00 0.00 N ATOM 494 C4 A A 57 12.793 -3.152 0.452 1.00 0.00 C ATOM 0 H5' A A 57 15.057 1.689 -1.544 1.00 0.00 H new ATOM 0 H5'' A A 57 16.634 1.444 -2.266 1.00 0.00 H new ATOM 0 H4' A A 57 16.704 0.526 -0.101 1.00 0.00 H new ATOM 0 H3' A A 57 17.435 -1.062 -2.222 1.00 0.00 H new ATOM 0 H2' A A 57 15.419 -2.437 -2.349 1.00 0.00 H new ATOM 0 HO2' A A 57 15.788 -4.334 -1.211 1.00 0.00 H new ATOM 0 HO3' A A 57 17.893 -2.532 -0.118 1.00 0.00 H new ATOM 0 H1' A A 57 15.275 -2.452 0.660 1.00 0.00 H new ATOM 0 H8 A A 57 13.090 -1.907 -2.502 1.00 0.00 H new ATOM 0 H61 A A 57 8.814 -5.020 0.717 1.00 0.00 H new ATOM 0 H62 A A 57 9.204 -4.265 -0.831 1.00 0.00 H new ATOM 0 H2 A A 57 12.391 -4.418 3.341 1.00 0.00 H new TER 507 A A 57