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 -3:sc= -0.362 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00991 USER MOD Single : A 43 A O2' : rot 180:sc= -0.119 USER MOD Single : A 44 U O2' : rot 180:sc= -0.148 USER MOD Single : A 45 C O2' : rot -3:sc= -0.578 USER MOD Single : A 46 U O2' : rot 180:sc= -0.0742 USER MOD Single : A 47 C O2' : rot -136:sc= -1.95! USER MOD Single : A 48 U O2' : rot -119:sc= -6.63! USER MOD Single : A 49 U O2' : rot -47:sc= 0.417 USER MOD Single : A 50 G O2' : rot -7:sc= -4.66! USER MOD Single : A 51 U O2' : rot 180:sc= -4.07! USER MOD Single : A 52 A O2' : rot -4:sc= -0.491 USER MOD Single : A 53 G O2' : rot 180:sc= -0.248 USER MOD Single : A 54 A O2' : rot 2:sc= -1.73! USER MOD Single : A 55 U O2' : rot -3:sc= -0.66 USER MOD Single : A 56 C O2' : rot 180:sc= -2.32! USER MOD Single : A 57 A O2' : rot 38:sc= 0.193 USER MOD Single : A 57 A O3' : rot 38:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 5.836 -3.928 9.832 1.00 0.00 O ATOM 2 C5' G A 42 6.667 -3.438 10.886 1.00 0.00 C ATOM 3 C4' G A 42 7.559 -2.300 10.410 1.00 0.00 C ATOM 4 O4' G A 42 8.520 -2.764 9.464 1.00 0.00 O ATOM 5 C3' G A 42 6.822 -1.163 9.729 1.00 0.00 C ATOM 6 O3' G A 42 6.273 -0.268 10.701 1.00 0.00 O ATOM 7 C2' G A 42 7.941 -0.510 8.955 1.00 0.00 C ATOM 8 O2' G A 42 8.734 0.341 9.791 1.00 0.00 O ATOM 9 C1' G A 42 8.725 -1.728 8.489 1.00 0.00 C ATOM 10 N9 G A 42 8.280 -2.259 7.191 1.00 0.00 N ATOM 11 C8 G A 42 7.410 -3.285 6.950 1.00 0.00 C ATOM 12 N7 G A 42 7.198 -3.514 5.685 1.00 0.00 N ATOM 13 C5 G A 42 7.988 -2.567 5.038 1.00 0.00 C ATOM 14 C6 G A 42 8.166 -2.329 3.648 1.00 0.00 C ATOM 15 O6 G A 42 7.653 -2.926 2.707 1.00 0.00 O ATOM 16 N1 G A 42 9.048 -1.276 3.418 1.00 0.00 N ATOM 17 C2 G A 42 9.681 -0.548 4.409 1.00 0.00 C ATOM 18 N2 G A 42 10.498 0.424 4.006 1.00 0.00 N ATOM 19 N3 G A 42 9.512 -0.775 5.716 1.00 0.00 N ATOM 20 C4 G A 42 8.655 -1.794 5.954 1.00 0.00 C ATOM 0 H5' G A 42 7.285 -4.249 11.271 1.00 0.00 H new ATOM 0 H5'' G A 42 6.044 -3.093 11.711 1.00 0.00 H new ATOM 0 H4' G A 42 8.016 -1.929 11.328 1.00 0.00 H new ATOM 0 H3' G A 42 5.977 -1.472 9.113 1.00 0.00 H new ATOM 0 H2' G A 42 7.607 0.142 8.148 1.00 0.00 H new ATOM 0 HO2' G A 42 8.356 0.356 10.695 1.00 0.00 H new ATOM 0 HO5' G A 42 5.277 -4.659 10.169 1.00 0.00 H new ATOM 0 H1' G A 42 9.766 -1.423 8.378 1.00 0.00 H new ATOM 0 H8 G A 42 6.940 -3.855 7.738 1.00 0.00 H new ATOM 0 H1 G A 42 9.241 -1.023 2.449 1.00 0.00 H new ATOM 0 H21 G A 42 10.992 0.993 4.694 1.00 0.00 H new ATOM 0 H22 G A 42 10.630 0.599 3.010 1.00 0.00 H new ATOM 33 P A A 43 4.966 0.616 10.362 1.00 0.00 P ATOM 34 OP1 A A 43 4.561 1.332 11.592 1.00 0.00 O ATOM 35 OP2 A A 43 3.993 -0.252 9.663 1.00 0.00 O ATOM 36 O5' A A 43 5.518 1.702 9.307 1.00 0.00 O ATOM 37 C5' A A 43 6.481 2.678 9.713 1.00 0.00 C ATOM 38 C4' A A 43 6.970 3.525 8.538 1.00 0.00 C ATOM 39 O4' A A 43 7.702 2.724 7.602 1.00 0.00 O ATOM 40 C3' A A 43 5.870 4.186 7.726 1.00 0.00 C ATOM 41 O3' A A 43 5.426 5.389 8.373 1.00 0.00 O ATOM 42 C2' A A 43 6.605 4.490 6.439 1.00 0.00 C ATOM 43 O2' A A 43 7.426 5.658 6.561 1.00 0.00 O ATOM 44 C1' A A 43 7.442 3.228 6.275 1.00 0.00 C ATOM 45 N9 A A 43 6.753 2.166 5.515 1.00 0.00 N ATOM 46 C8 A A 43 6.017 1.108 5.985 1.00 0.00 C ATOM 47 N7 A A 43 5.504 0.362 5.047 1.00 0.00 N ATOM 48 C5 A A 43 5.927 0.970 3.871 1.00 0.00 C ATOM 49 C6 A A 43 5.716 0.667 2.516 1.00 0.00 C ATOM 50 N6 A A 43 4.996 -0.379 2.100 1.00 0.00 N ATOM 51 N1 A A 43 6.277 1.484 1.612 1.00 0.00 N ATOM 52 C2 A A 43 6.998 2.518 2.026 1.00 0.00 C ATOM 53 N3 A A 43 7.269 2.905 3.261 1.00 0.00 N ATOM 54 C4 A A 43 6.690 2.070 4.148 1.00 0.00 C ATOM 0 H5' A A 43 7.331 2.177 10.177 1.00 0.00 H new ATOM 0 H5'' A A 43 6.041 3.328 10.470 1.00 0.00 H new ATOM 0 H4' A A 43 7.576 4.295 9.015 1.00 0.00 H new ATOM 0 H3' A A 43 4.971 3.584 7.592 1.00 0.00 H new ATOM 0 H2' A A 43 5.954 4.709 5.592 1.00 0.00 H new ATOM 0 HO2' A A 43 7.887 5.824 5.712 1.00 0.00 H new ATOM 0 H1' A A 43 8.345 3.487 5.722 1.00 0.00 H new ATOM 0 H8 A A 43 5.875 0.911 7.037 1.00 0.00 H new ATOM 0 H61 A A 43 4.876 -0.551 1.102 1.00 0.00 H new ATOM 0 H62 A A 43 4.567 -1.006 2.781 1.00 0.00 H new ATOM 0 H2 A A 43 7.423 3.130 1.244 1.00 0.00 H new ATOM 66 P U A 44 3.921 5.934 8.154 1.00 0.00 P ATOM 67 OP1 U A 44 3.714 7.087 9.059 1.00 0.00 O ATOM 68 OP2 U A 44 3.000 4.777 8.217 1.00 0.00 O ATOM 69 O5' U A 44 3.932 6.483 6.638 1.00 0.00 O ATOM 70 C5' U A 44 4.733 7.616 6.291 1.00 0.00 C ATOM 71 C4' U A 44 4.726 7.890 4.787 1.00 0.00 C ATOM 72 O4' U A 44 5.359 6.820 4.085 1.00 0.00 O ATOM 73 C3' U A 44 3.353 8.020 4.153 1.00 0.00 C ATOM 74 O3' U A 44 2.820 9.337 4.357 1.00 0.00 O ATOM 75 C2' U A 44 3.698 7.796 2.694 1.00 0.00 C ATOM 76 O2' U A 44 4.258 8.971 2.096 1.00 0.00 O ATOM 77 C1' U A 44 4.725 6.676 2.799 1.00 0.00 C ATOM 78 N1 U A 44 4.123 5.333 2.741 1.00 0.00 N ATOM 79 C2 U A 44 3.889 4.798 1.493 1.00 0.00 C ATOM 80 O2 U A 44 4.187 5.394 0.460 1.00 0.00 O ATOM 81 N3 U A 44 3.299 3.551 1.469 1.00 0.00 N ATOM 82 C4 U A 44 2.927 2.799 2.567 1.00 0.00 C ATOM 83 O4 U A 44 2.416 1.691 2.420 1.00 0.00 O ATOM 84 C5 U A 44 3.204 3.436 3.834 1.00 0.00 C ATOM 85 C6 U A 44 3.780 4.661 3.883 1.00 0.00 C ATOM 0 H5' U A 44 5.758 7.450 6.623 1.00 0.00 H new ATOM 0 H5'' U A 44 4.365 8.495 6.820 1.00 0.00 H new ATOM 0 H4' U A 44 5.244 8.846 4.703 1.00 0.00 H new ATOM 0 H3' U A 44 2.599 7.342 4.552 1.00 0.00 H new ATOM 0 H2' U A 44 2.840 7.558 2.065 1.00 0.00 H new ATOM 0 HO2' U A 44 4.470 8.791 1.156 1.00 0.00 H new ATOM 0 H1' U A 44 5.414 6.758 1.959 1.00 0.00 H new ATOM 0 H3 U A 44 3.120 3.144 0.551 1.00 0.00 H new ATOM 0 H5 U A 44 2.949 2.929 4.753 1.00 0.00 H new ATOM 0 H6 U A 44 3.973 5.117 4.843 1.00 0.00 H new ATOM 96 P C A 45 1.222 9.575 4.411 1.00 0.00 P ATOM 97 OP1 C A 45 0.978 10.992 4.762 1.00 0.00 O ATOM 98 OP2 C A 45 0.624 8.500 5.234 1.00 0.00 O ATOM 99 O5' C A 45 0.760 9.351 2.883 1.00 0.00 O ATOM 100 C5' C A 45 1.181 10.252 1.856 1.00 0.00 C ATOM 101 C4' C A 45 0.777 9.757 0.468 1.00 0.00 C ATOM 102 O4' C A 45 1.468 8.550 0.155 1.00 0.00 O ATOM 103 C3' C A 45 -0.694 9.426 0.288 1.00 0.00 C ATOM 104 O3' C A 45 -1.457 10.609 0.034 1.00 0.00 O ATOM 105 C2' C A 45 -0.649 8.544 -0.940 1.00 0.00 C ATOM 106 O2' C A 45 -0.565 9.317 -2.144 1.00 0.00 O ATOM 107 C1' C A 45 0.626 7.747 -0.694 1.00 0.00 C ATOM 108 N1 C A 45 0.380 6.468 -0.007 1.00 0.00 N ATOM 109 C2 C A 45 0.012 5.395 -0.791 1.00 0.00 C ATOM 110 O2 C A 45 -0.095 5.538 -2.010 1.00 0.00 O ATOM 111 N3 C A 45 -0.228 4.202 -0.178 1.00 0.00 N ATOM 112 C4 C A 45 -0.108 4.067 1.146 1.00 0.00 C ATOM 113 N4 C A 45 -0.345 2.879 1.705 1.00 0.00 N ATOM 114 C5 C A 45 0.270 5.180 1.962 1.00 0.00 C ATOM 115 C6 C A 45 0.495 6.357 1.347 1.00 0.00 C ATOM 0 H5' C A 45 2.264 10.372 1.899 1.00 0.00 H new ATOM 0 H5'' C A 45 0.744 11.235 2.033 1.00 0.00 H new ATOM 0 H4' C A 45 1.026 10.598 -0.179 1.00 0.00 H new ATOM 0 H3' C A 45 -1.159 8.964 1.159 1.00 0.00 H new ATOM 0 H2' C A 45 -1.538 7.928 -1.077 1.00 0.00 H new ATOM 0 HO2' C A 45 -0.611 10.271 -1.924 1.00 0.00 H new ATOM 0 H1' C A 45 1.078 7.518 -1.659 1.00 0.00 H new ATOM 0 H41 C A 45 -0.257 2.764 2.715 1.00 0.00 H new ATOM 0 H42 C A 45 -0.615 2.086 1.123 1.00 0.00 H new ATOM 0 H5 C A 45 0.371 5.080 3.033 1.00 0.00 H new ATOM 0 H6 C A 45 0.769 7.222 1.933 1.00 0.00 H new ATOM 127 P U A 46 -3.020 10.676 0.427 1.00 0.00 P ATOM 128 OP1 U A 46 -3.502 12.051 0.167 1.00 0.00 O ATOM 129 OP2 U A 46 -3.183 10.081 1.772 1.00 0.00 O ATOM 130 O5' U A 46 -3.712 9.689 -0.647 1.00 0.00 O ATOM 131 C5' U A 46 -3.706 10.017 -2.039 1.00 0.00 C ATOM 132 C4' U A 46 -4.351 8.928 -2.901 1.00 0.00 C ATOM 133 O4' U A 46 -3.577 7.723 -2.851 1.00 0.00 O ATOM 134 C3' U A 46 -5.748 8.511 -2.481 1.00 0.00 C ATOM 135 O3' U A 46 -6.725 9.441 -2.976 1.00 0.00 O ATOM 136 C2' U A 46 -5.865 7.177 -3.192 1.00 0.00 C ATOM 137 O2' U A 46 -6.162 7.343 -4.583 1.00 0.00 O ATOM 138 C1' U A 46 -4.472 6.597 -2.981 1.00 0.00 C ATOM 139 N1 U A 46 -4.365 5.782 -1.754 1.00 0.00 N ATOM 140 C2 U A 46 -4.752 4.457 -1.832 1.00 0.00 C ATOM 141 O2 U A 46 -5.141 3.948 -2.880 1.00 0.00 O ATOM 142 N3 U A 46 -4.677 3.732 -0.660 1.00 0.00 N ATOM 143 C4 U A 46 -4.258 4.205 0.569 1.00 0.00 C ATOM 144 O4 U A 46 -4.236 3.464 1.548 1.00 0.00 O ATOM 145 C5 U A 46 -3.872 5.597 0.562 1.00 0.00 C ATOM 146 C6 U A 46 -3.936 6.331 -0.576 1.00 0.00 C ATOM 0 H5' U A 46 -2.679 10.175 -2.367 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.237 10.957 -2.190 1.00 0.00 H new ATOM 0 H4' U A 46 -4.397 9.385 -3.889 1.00 0.00 H new ATOM 0 H3' U A 46 -5.910 8.469 -1.404 1.00 0.00 H new ATOM 0 H2' U A 46 -6.671 6.545 -2.818 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.229 6.464 -5.010 1.00 0.00 H new ATOM 0 H1' U A 46 -4.234 5.944 -3.821 1.00 0.00 H new ATOM 0 H3 U A 46 -4.958 2.753 -0.705 1.00 0.00 H new ATOM 0 H5 U A 46 -3.528 6.059 1.475 1.00 0.00 H new ATOM 0 H6 U A 46 -3.642 7.370 -0.553 1.00 0.00 H new ATOM 157 P C A 47 -8.121 9.661 -2.188 1.00 0.00 P ATOM 158 OP1 C A 47 -8.844 10.775 -2.840 1.00 0.00 O ATOM 159 OP2 C A 47 -7.825 9.727 -0.740 1.00 0.00 O ATOM 160 O5' C A 47 -8.941 8.300 -2.470 1.00 0.00 O ATOM 161 C5' C A 47 -9.380 7.988 -3.794 1.00 0.00 C ATOM 162 C4' C A 47 -9.994 6.590 -3.890 1.00 0.00 C ATOM 163 O4' C A 47 -9.011 5.604 -3.663 1.00 0.00 O ATOM 164 C3' C A 47 -11.109 6.284 -2.910 1.00 0.00 C ATOM 165 O3' C A 47 -12.340 6.829 -3.410 1.00 0.00 O ATOM 166 C2' C A 47 -11.121 4.761 -2.922 1.00 0.00 C ATOM 167 O2' C A 47 -11.940 4.256 -3.980 1.00 0.00 O ATOM 168 C1' C A 47 -9.640 4.417 -3.149 1.00 0.00 C ATOM 169 N1 C A 47 -8.913 4.071 -1.921 1.00 0.00 N ATOM 170 C2 C A 47 -8.942 2.758 -1.497 1.00 0.00 C ATOM 171 O2 C A 47 -9.574 1.923 -2.140 1.00 0.00 O ATOM 172 N3 C A 47 -8.251 2.431 -0.366 1.00 0.00 N ATOM 173 C4 C A 47 -7.569 3.367 0.313 1.00 0.00 C ATOM 174 N4 C A 47 -6.890 3.023 1.404 1.00 0.00 N ATOM 175 C5 C A 47 -7.555 4.727 -0.121 1.00 0.00 C ATOM 176 C6 C A 47 -8.241 5.031 -1.234 1.00 0.00 C ATOM 0 H5' C A 47 -8.536 8.059 -4.480 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.114 8.727 -4.114 1.00 0.00 H new ATOM 0 H4' C A 47 -10.413 6.575 -4.896 1.00 0.00 H new ATOM 0 H3' C A 47 -10.980 6.701 -1.911 1.00 0.00 H new ATOM 0 H2' C A 47 -11.533 4.324 -2.013 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.487 3.515 -3.645 1.00 0.00 H new ATOM 0 H1' C A 47 -9.607 3.554 -3.814 1.00 0.00 H new ATOM 0 H41 C A 47 -6.370 3.729 1.925 1.00 0.00 H new ATOM 0 H42 C A 47 -6.890 2.053 1.720 1.00 0.00 H new ATOM 0 H5 C A 47 -7.012 5.484 0.426 1.00 0.00 H new ATOM 0 H6 C A 47 -8.259 6.051 -1.588 1.00 0.00 H new ATOM 188 P U A 48 -13.537 7.264 -2.419 1.00 0.00 P ATOM 189 OP1 U A 48 -14.566 7.960 -3.223 1.00 0.00 O ATOM 190 OP2 U A 48 -12.939 7.944 -1.248 1.00 0.00 O ATOM 191 O5' U A 48 -14.159 5.862 -1.918 1.00 0.00 O ATOM 192 C5' U A 48 -15.580 5.748 -1.744 1.00 0.00 C ATOM 193 C4' U A 48 -16.014 4.330 -1.383 1.00 0.00 C ATOM 194 O4' U A 48 -15.823 3.456 -2.501 1.00 0.00 O ATOM 195 C3' U A 48 -15.256 3.739 -0.198 1.00 0.00 C ATOM 196 O3' U A 48 -16.173 2.954 0.588 1.00 0.00 O ATOM 197 C2' U A 48 -14.248 2.832 -0.886 1.00 0.00 C ATOM 198 O2' U A 48 -13.842 1.761 -0.044 1.00 0.00 O ATOM 199 C1' U A 48 -15.039 2.344 -2.078 1.00 0.00 C ATOM 200 N1 U A 48 -14.230 1.911 -3.227 1.00 0.00 N ATOM 201 C2 U A 48 -13.767 0.609 -3.234 1.00 0.00 C ATOM 202 O2 U A 48 -13.994 -0.171 -2.312 1.00 0.00 O ATOM 203 N3 U A 48 -13.032 0.234 -4.344 1.00 0.00 N ATOM 204 C4 U A 48 -12.725 1.038 -5.429 1.00 0.00 C ATOM 205 O4 U A 48 -12.065 0.598 -6.367 1.00 0.00 O ATOM 206 C5 U A 48 -13.249 2.383 -5.331 1.00 0.00 C ATOM 207 C6 U A 48 -13.971 2.770 -4.252 1.00 0.00 C ATOM 0 H5' U A 48 -16.081 6.055 -2.662 1.00 0.00 H new ATOM 0 H5'' U A 48 -15.903 6.434 -0.961 1.00 0.00 H new ATOM 0 H4' U A 48 -17.065 4.409 -1.106 1.00 0.00 H new ATOM 0 H3' U A 48 -14.799 4.472 0.466 1.00 0.00 H new ATOM 0 H2' U A 48 -13.315 3.329 -1.151 1.00 0.00 H new ATOM 0 HO2' U A 48 -12.877 1.818 0.115 1.00 0.00 H new ATOM 0 H1' U A 48 -15.606 1.468 -1.764 1.00 0.00 H new ATOM 0 H3 U A 48 -12.683 -0.724 -4.365 1.00 0.00 H new ATOM 0 H5 U A 48 -13.062 3.087 -6.128 1.00 0.00 H new ATOM 0 H6 U A 48 -14.349 3.780 -4.203 1.00 0.00 H new ATOM 218 P U A 49 -16.059 2.770 2.196 1.00 0.00 P ATOM 219 OP1 U A 49 -17.246 2.014 2.652 1.00 0.00 O ATOM 220 OP2 U A 49 -15.769 4.096 2.785 1.00 0.00 O ATOM 221 O5' U A 49 -14.764 1.837 2.418 1.00 0.00 O ATOM 222 C5' U A 49 -14.712 0.496 1.933 1.00 0.00 C ATOM 223 C4' U A 49 -13.354 -0.135 2.228 1.00 0.00 C ATOM 224 O4' U A 49 -12.337 0.630 1.540 1.00 0.00 O ATOM 225 C3' U A 49 -12.969 -0.131 3.712 1.00 0.00 C ATOM 226 O3' U A 49 -12.334 -1.379 4.004 1.00 0.00 O ATOM 227 C2' U A 49 -11.965 0.993 3.858 1.00 0.00 C ATOM 228 O2' U A 49 -10.989 0.695 4.862 1.00 0.00 O ATOM 229 C1' U A 49 -11.339 1.066 2.483 1.00 0.00 C ATOM 230 N1 U A 49 -10.871 2.433 2.134 1.00 0.00 N ATOM 231 C2 U A 49 -9.627 2.806 2.613 1.00 0.00 C ATOM 232 O2 U A 49 -8.918 2.035 3.255 1.00 0.00 O ATOM 233 N3 U A 49 -9.224 4.099 2.328 1.00 0.00 N ATOM 234 C4 U A 49 -9.941 5.038 1.611 1.00 0.00 C ATOM 235 O4 U A 49 -9.482 6.161 1.415 1.00 0.00 O ATOM 236 C5 U A 49 -11.224 4.567 1.145 1.00 0.00 C ATOM 237 C6 U A 49 -11.644 3.307 1.415 1.00 0.00 C ATOM 0 H5' U A 49 -14.897 0.486 0.859 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.501 -0.095 2.398 1.00 0.00 H new ATOM 0 H4' U A 49 -13.425 -1.172 1.900 1.00 0.00 H new ATOM 0 H3' U A 49 -13.822 0.001 4.377 1.00 0.00 H new ATOM 0 H2' U A 49 -12.416 1.933 4.175 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.438 0.359 5.665 1.00 0.00 H new ATOM 0 H1' U A 49 -10.454 0.430 2.461 1.00 0.00 H new ATOM 0 H3 U A 49 -8.311 4.386 2.681 1.00 0.00 H new ATOM 0 H5 U A 49 -11.858 5.228 0.573 1.00 0.00 H new ATOM 0 H6 U A 49 -12.610 2.984 1.055 1.00 0.00 H new ATOM 248 P G A 50 -12.314 -2.003 5.488 1.00 0.00 P ATOM 249 OP1 G A 50 -13.708 -2.106 5.972 1.00 0.00 O ATOM 250 OP2 G A 50 -11.301 -1.277 6.287 1.00 0.00 O ATOM 251 O5' G A 50 -11.764 -3.487 5.194 1.00 0.00 O ATOM 252 C5' G A 50 -12.581 -4.418 4.476 1.00 0.00 C ATOM 253 C4' G A 50 -11.771 -5.250 3.494 1.00 0.00 C ATOM 254 O4' G A 50 -11.292 -4.440 2.425 1.00 0.00 O ATOM 255 C3' G A 50 -10.551 -5.927 4.071 1.00 0.00 C ATOM 256 O3' G A 50 -10.885 -7.176 4.651 1.00 0.00 O ATOM 257 C2' G A 50 -9.663 -6.116 2.870 1.00 0.00 C ATOM 258 O2' G A 50 -10.026 -7.285 2.127 1.00 0.00 O ATOM 259 C1' G A 50 -9.950 -4.846 2.089 1.00 0.00 C ATOM 260 N9 G A 50 -9.071 -3.715 2.420 1.00 0.00 N ATOM 261 C8 G A 50 -8.260 -3.532 3.509 1.00 0.00 C ATOM 262 N7 G A 50 -7.608 -2.407 3.499 1.00 0.00 N ATOM 263 C5 G A 50 -8.012 -1.802 2.316 1.00 0.00 C ATOM 264 C6 G A 50 -7.641 -0.550 1.769 1.00 0.00 C ATOM 265 O6 G A 50 -6.849 0.266 2.228 1.00 0.00 O ATOM 266 N1 G A 50 -8.291 -0.310 0.562 1.00 0.00 N ATOM 267 C2 G A 50 -9.176 -1.181 -0.046 1.00 0.00 C ATOM 268 N2 G A 50 -9.696 -0.796 -1.210 1.00 0.00 N ATOM 269 N3 G A 50 -9.518 -2.359 0.472 1.00 0.00 N ATOM 270 C4 G A 50 -8.902 -2.599 1.649 1.00 0.00 C ATOM 0 H5' G A 50 -13.359 -3.877 3.937 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.084 -5.079 5.182 1.00 0.00 H new ATOM 0 H4' G A 50 -12.475 -6.018 3.175 1.00 0.00 H new ATOM 0 H3' G A 50 -10.082 -5.350 4.868 1.00 0.00 H new ATOM 0 H2' G A 50 -8.610 -6.264 3.110 1.00 0.00 H new ATOM 0 HO2' G A 50 -10.707 -7.788 2.621 1.00 0.00 H new ATOM 0 H1' G A 50 -9.794 -5.078 1.036 1.00 0.00 H new ATOM 0 H8 G A 50 -8.170 -4.257 4.304 1.00 0.00 H new ATOM 0 H1 G A 50 -8.100 0.574 0.091 1.00 0.00 H new ATOM 0 H21 G A 50 -10.354 -1.402 -1.700 1.00 0.00 H new ATOM 0 H22 G A 50 -9.436 0.105 -1.612 1.00 0.00 H new ATOM 282 P U A 51 -9.749 -7.956 5.458 1.00 0.00 P ATOM 283 OP1 U A 51 -10.357 -9.139 6.106 1.00 0.00 O ATOM 284 OP2 U A 51 -8.979 -6.977 6.257 1.00 0.00 O ATOM 285 O5' U A 51 -8.831 -8.456 4.229 1.00 0.00 O ATOM 286 C5' U A 51 -7.477 -8.844 4.428 1.00 0.00 C ATOM 287 C4' U A 51 -6.879 -9.465 3.167 1.00 0.00 C ATOM 288 O4' U A 51 -7.569 -10.682 2.877 1.00 0.00 O ATOM 289 C3' U A 51 -6.946 -8.602 1.907 1.00 0.00 C ATOM 290 O3' U A 51 -5.739 -8.831 1.177 1.00 0.00 O ATOM 291 C2' U A 51 -8.134 -9.131 1.122 1.00 0.00 C ATOM 292 O2' U A 51 -7.846 -9.167 -0.281 1.00 0.00 O ATOM 293 C1' U A 51 -8.338 -10.544 1.674 1.00 0.00 C ATOM 294 N1 U A 51 -9.746 -10.887 2.008 1.00 0.00 N ATOM 295 C2 U A 51 -10.241 -12.096 1.541 1.00 0.00 C ATOM 296 O2 U A 51 -9.562 -12.858 0.857 1.00 0.00 O ATOM 297 N3 U A 51 -11.544 -12.398 1.890 1.00 0.00 N ATOM 298 C4 U A 51 -12.389 -11.611 2.653 1.00 0.00 C ATOM 299 O4 U A 51 -13.534 -11.981 2.901 1.00 0.00 O ATOM 300 C5 U A 51 -11.795 -10.371 3.098 1.00 0.00 C ATOM 301 C6 U A 51 -10.519 -10.051 2.772 1.00 0.00 C ATOM 0 H5' U A 51 -7.420 -9.559 5.249 1.00 0.00 H new ATOM 0 H5'' U A 51 -6.888 -7.975 4.721 1.00 0.00 H new ATOM 0 H4' U A 51 -5.823 -9.602 3.399 1.00 0.00 H new ATOM 0 H3' U A 51 -7.052 -7.536 2.109 1.00 0.00 H new ATOM 0 H2' U A 51 -9.020 -8.505 1.228 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.624 -9.512 -0.766 1.00 0.00 H new ATOM 0 H1' U A 51 -8.024 -11.219 0.878 1.00 0.00 H new ATOM 0 H3 U A 51 -11.918 -13.285 1.553 1.00 0.00 H new ATOM 0 H5 U A 51 -12.377 -9.689 3.700 1.00 0.00 H new ATOM 0 H6 U A 51 -10.102 -9.118 3.121 1.00 0.00 H new ATOM 312 P A A 52 -4.589 -7.720 0.991 1.00 0.00 P ATOM 313 OP1 A A 52 -3.404 -8.379 0.398 1.00 0.00 O ATOM 314 OP2 A A 52 -4.457 -6.979 2.265 1.00 0.00 O ATOM 315 O5' A A 52 -5.203 -6.718 -0.106 1.00 0.00 O ATOM 316 C5' A A 52 -6.057 -7.212 -1.137 1.00 0.00 C ATOM 317 C4' A A 52 -6.388 -6.127 -2.152 1.00 0.00 C ATOM 318 O4' A A 52 -7.142 -5.054 -1.568 1.00 0.00 O ATOM 319 C3' A A 52 -5.152 -5.479 -2.743 1.00 0.00 C ATOM 320 O3' A A 52 -4.648 -6.303 -3.803 1.00 0.00 O ATOM 321 C2' A A 52 -5.709 -4.175 -3.271 1.00 0.00 C ATOM 322 O2' A A 52 -6.363 -4.355 -4.533 1.00 0.00 O ATOM 323 C1' A A 52 -6.702 -3.816 -2.171 1.00 0.00 C ATOM 324 N9 A A 52 -6.129 -2.982 -1.102 1.00 0.00 N ATOM 325 C8 A A 52 -5.730 -3.353 0.157 1.00 0.00 C ATOM 326 N7 A A 52 -5.290 -2.362 0.883 1.00 0.00 N ATOM 327 C5 A A 52 -5.408 -1.257 0.044 1.00 0.00 C ATOM 328 C6 A A 52 -5.103 0.104 0.214 1.00 0.00 C ATOM 329 N6 A A 52 -4.601 0.604 1.341 1.00 0.00 N ATOM 330 N1 A A 52 -5.341 0.924 -0.823 1.00 0.00 N ATOM 331 C2 A A 52 -5.841 0.420 -1.945 1.00 0.00 C ATOM 332 N3 A A 52 -6.169 -0.830 -2.225 1.00 0.00 N ATOM 333 C4 A A 52 -5.919 -1.628 -1.166 1.00 0.00 C ATOM 0 H5' A A 52 -6.978 -7.594 -0.697 1.00 0.00 H new ATOM 0 H5'' A A 52 -5.574 -8.049 -1.641 1.00 0.00 H new ATOM 0 H4' A A 52 -6.959 -6.647 -2.921 1.00 0.00 H new ATOM 0 H3' A A 52 -4.324 -5.339 -2.048 1.00 0.00 H new ATOM 0 H2' A A 52 -4.957 -3.410 -3.464 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.257 -5.284 -4.827 1.00 0.00 H new ATOM 0 H1' A A 52 -7.506 -3.242 -2.632 1.00 0.00 H new ATOM 0 H8 A A 52 -5.776 -4.371 0.514 1.00 0.00 H new ATOM 0 H61 A A 52 -4.398 1.601 1.410 1.00 0.00 H new ATOM 0 H62 A A 52 -4.420 -0.010 2.135 1.00 0.00 H new ATOM 0 H2 A A 52 -6.003 1.131 -2.741 1.00 0.00 H new ATOM 345 P G A 53 -3.085 -6.305 -4.193 1.00 0.00 P ATOM 346 OP1 G A 53 -2.868 -7.335 -5.234 1.00 0.00 O ATOM 347 OP2 G A 53 -2.295 -6.343 -2.942 1.00 0.00 O ATOM 348 O5' G A 53 -2.890 -4.863 -4.866 1.00 0.00 O ATOM 349 C5' G A 53 -3.548 -4.538 -6.089 1.00 0.00 C ATOM 350 C4' G A 53 -3.339 -3.075 -6.443 1.00 0.00 C ATOM 351 O4' G A 53 -3.960 -2.238 -5.464 1.00 0.00 O ATOM 352 C3' G A 53 -1.888 -2.637 -6.477 1.00 0.00 C ATOM 353 O3' G A 53 -1.284 -2.990 -7.726 1.00 0.00 O ATOM 354 C2' G A 53 -2.048 -1.135 -6.358 1.00 0.00 C ATOM 355 O2' G A 53 -2.441 -0.547 -7.604 1.00 0.00 O ATOM 356 C1' G A 53 -3.164 -1.049 -5.322 1.00 0.00 C ATOM 357 N9 G A 53 -2.662 -0.985 -3.939 1.00 0.00 N ATOM 358 C8 G A 53 -2.493 -1.992 -3.023 1.00 0.00 C ATOM 359 N7 G A 53 -1.998 -1.592 -1.885 1.00 0.00 N ATOM 360 C5 G A 53 -1.824 -0.222 -2.061 1.00 0.00 C ATOM 361 C6 G A 53 -1.313 0.757 -1.165 1.00 0.00 C ATOM 362 O6 G A 53 -0.921 0.601 -0.006 1.00 0.00 O ATOM 363 N1 G A 53 -1.304 2.022 -1.751 1.00 0.00 N ATOM 364 C2 G A 53 -1.737 2.304 -3.036 1.00 0.00 C ATOM 365 N2 G A 53 -1.657 3.573 -3.438 1.00 0.00 N ATOM 366 N3 G A 53 -2.217 1.383 -3.867 1.00 0.00 N ATOM 367 C4 G A 53 -2.229 0.151 -3.316 1.00 0.00 C ATOM 0 H5' G A 53 -4.614 -4.746 -6.000 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.166 -5.169 -6.891 1.00 0.00 H new ATOM 0 H4' G A 53 -3.768 -2.976 -7.440 1.00 0.00 H new ATOM 0 H3' G A 53 -1.254 -3.088 -5.714 1.00 0.00 H new ATOM 0 H2' G A 53 -1.136 -0.604 -6.086 1.00 0.00 H new ATOM 0 HO2' G A 53 -2.537 0.422 -7.493 1.00 0.00 H new ATOM 0 H1' G A 53 -3.730 -0.134 -5.498 1.00 0.00 H new ATOM 0 H8 G A 53 -2.747 -3.022 -3.226 1.00 0.00 H new ATOM 0 H1 G A 53 -0.952 2.798 -1.191 1.00 0.00 H new ATOM 0 H21 G A 53 -1.964 3.831 -4.376 1.00 0.00 H new ATOM 0 H22 G A 53 -1.289 4.285 -2.807 1.00 0.00 H new ATOM 379 P A A 54 0.299 -3.285 -7.814 1.00 0.00 P ATOM 380 OP1 A A 54 0.614 -3.715 -9.195 1.00 0.00 O ATOM 381 OP2 A A 54 0.674 -4.146 -6.670 1.00 0.00 O ATOM 382 O5' A A 54 0.944 -1.832 -7.581 1.00 0.00 O ATOM 383 C5' A A 54 0.743 -0.784 -8.525 1.00 0.00 C ATOM 384 C4' A A 54 1.300 0.537 -8.009 1.00 0.00 C ATOM 385 O4' A A 54 0.582 0.973 -6.850 1.00 0.00 O ATOM 386 C3' A A 54 2.751 0.500 -7.569 1.00 0.00 C ATOM 387 O3' A A 54 3.634 0.620 -8.682 1.00 0.00 O ATOM 388 C2' A A 54 2.830 1.752 -6.731 1.00 0.00 C ATOM 389 O2' A A 54 2.972 2.922 -7.546 1.00 0.00 O ATOM 390 C1' A A 54 1.490 1.728 -6.021 1.00 0.00 C ATOM 391 N9 A A 54 1.548 1.099 -4.690 1.00 0.00 N ATOM 392 C8 A A 54 1.194 -0.169 -4.308 1.00 0.00 C ATOM 393 N7 A A 54 1.341 -0.396 -3.031 1.00 0.00 N ATOM 394 C5 A A 54 1.834 0.807 -2.537 1.00 0.00 C ATOM 395 C6 A A 54 2.204 1.225 -1.250 1.00 0.00 C ATOM 396 N6 A A 54 2.124 0.443 -0.173 1.00 0.00 N ATOM 397 N1 A A 54 2.657 2.482 -1.121 1.00 0.00 N ATOM 398 C2 A A 54 2.735 3.260 -2.193 1.00 0.00 C ATOM 399 N3 A A 54 2.414 2.986 -3.444 1.00 0.00 N ATOM 400 C4 A A 54 1.964 1.719 -3.543 1.00 0.00 C ATOM 0 H5' A A 54 -0.322 -0.677 -8.732 1.00 0.00 H new ATOM 0 H5'' A A 54 1.226 -1.042 -9.467 1.00 0.00 H new ATOM 0 H4' A A 54 1.199 1.200 -8.869 1.00 0.00 H new ATOM 0 H3' A A 54 3.031 -0.423 -7.062 1.00 0.00 H new ATOM 0 H2' A A 54 3.687 1.782 -6.059 1.00 0.00 H new ATOM 0 HO2' A A 54 2.960 2.665 -8.492 1.00 0.00 H new ATOM 0 H1' A A 54 1.167 2.758 -5.868 1.00 0.00 H new ATOM 0 H8 A A 54 0.827 -0.912 -5.000 1.00 0.00 H new ATOM 0 H61 A A 54 2.407 0.801 0.739 1.00 0.00 H new ATOM 0 H62 A A 54 1.779 -0.513 -0.261 1.00 0.00 H new ATOM 0 H2 A A 54 3.114 4.256 -2.018 1.00 0.00 H new ATOM 412 P U A 55 5.117 0.004 -8.612 1.00 0.00 P ATOM 413 OP1 U A 55 5.781 0.227 -9.915 1.00 0.00 O ATOM 414 OP2 U A 55 5.033 -1.360 -8.043 1.00 0.00 O ATOM 415 O5' U A 55 5.796 0.971 -7.520 1.00 0.00 O ATOM 416 C5' U A 55 5.954 2.362 -7.780 1.00 0.00 C ATOM 417 C4' U A 55 6.460 3.108 -6.548 1.00 0.00 C ATOM 418 O4' U A 55 5.503 3.027 -5.493 1.00 0.00 O ATOM 419 C3' U A 55 7.732 2.550 -5.943 1.00 0.00 C ATOM 420 O3' U A 55 8.876 3.019 -6.660 1.00 0.00 O ATOM 421 C2' U A 55 7.696 3.175 -4.560 1.00 0.00 C ATOM 422 O2' U A 55 8.228 4.505 -4.571 1.00 0.00 O ATOM 423 C1' U A 55 6.203 3.173 -4.240 1.00 0.00 C ATOM 424 N1 U A 55 5.815 2.064 -3.351 1.00 0.00 N ATOM 425 C2 U A 55 5.994 2.260 -2.000 1.00 0.00 C ATOM 426 O2 U A 55 6.431 3.318 -1.549 1.00 0.00 O ATOM 427 N3 U A 55 5.653 1.202 -1.182 1.00 0.00 N ATOM 428 C4 U A 55 5.150 -0.019 -1.589 1.00 0.00 C ATOM 429 O4 U A 55 4.872 -0.886 -0.761 1.00 0.00 O ATOM 430 C5 U A 55 4.996 -0.140 -3.024 1.00 0.00 C ATOM 431 C6 U A 55 5.332 0.883 -3.846 1.00 0.00 C ATOM 0 H5' U A 55 5.000 2.785 -8.096 1.00 0.00 H new ATOM 0 H5'' U A 55 6.654 2.502 -8.604 1.00 0.00 H new ATOM 0 H4' U A 55 6.640 4.119 -6.915 1.00 0.00 H new ATOM 0 H3' U A 55 7.794 1.462 -5.953 1.00 0.00 H new ATOM 0 H2' U A 55 8.299 2.641 -3.826 1.00 0.00 H new ATOM 0 HO2' U A 55 8.553 4.720 -5.470 1.00 0.00 H new ATOM 0 H1' U A 55 5.954 4.100 -3.724 1.00 0.00 H new ATOM 0 H3 U A 55 5.785 1.334 -0.179 1.00 0.00 H new ATOM 0 H5 U A 55 4.609 -1.057 -3.444 1.00 0.00 H new ATOM 0 H6 U A 55 5.216 0.764 -4.913 1.00 0.00 H new ATOM 442 P C A 56 10.228 2.142 -6.725 1.00 0.00 P ATOM 443 OP1 C A 56 11.180 2.831 -7.625 1.00 0.00 O ATOM 444 OP2 C A 56 9.850 0.737 -6.996 1.00 0.00 O ATOM 445 O5' C A 56 10.813 2.220 -5.225 1.00 0.00 O ATOM 446 C5' C A 56 11.261 3.456 -4.667 1.00 0.00 C ATOM 447 C4' C A 56 11.666 3.294 -3.202 1.00 0.00 C ATOM 448 O4' C A 56 10.550 2.955 -2.393 1.00 0.00 O ATOM 449 C3' C A 56 12.676 2.195 -2.951 1.00 0.00 C ATOM 450 O3' C A 56 13.989 2.684 -3.244 1.00 0.00 O ATOM 451 C2' C A 56 12.512 1.942 -1.458 1.00 0.00 C ATOM 452 O2' C A 56 13.399 2.764 -0.690 1.00 0.00 O ATOM 453 C1' C A 56 11.043 2.313 -1.203 1.00 0.00 C ATOM 454 N1 C A 56 10.175 1.151 -0.925 1.00 0.00 N ATOM 455 C2 C A 56 10.148 0.667 0.375 1.00 0.00 C ATOM 456 O2 C A 56 10.836 1.201 1.242 1.00 0.00 O ATOM 457 N3 C A 56 9.347 -0.403 0.651 1.00 0.00 N ATOM 458 C4 C A 56 8.609 -0.971 -0.316 1.00 0.00 C ATOM 459 N4 C A 56 7.831 -2.010 -0.023 1.00 0.00 N ATOM 460 C5 C A 56 8.642 -0.475 -1.656 1.00 0.00 C ATOM 461 C6 C A 56 9.434 0.580 -1.914 1.00 0.00 C ATOM 0 H5' C A 56 10.469 4.201 -4.747 1.00 0.00 H new ATOM 0 H5'' C A 56 12.109 3.830 -5.241 1.00 0.00 H new ATOM 0 H4' C A 56 12.099 4.262 -2.951 1.00 0.00 H new ATOM 0 H3' C A 56 12.535 1.300 -3.556 1.00 0.00 H new ATOM 0 H2' C A 56 12.751 0.919 -1.168 1.00 0.00 H new ATOM 0 HO2' C A 56 13.271 2.581 0.264 1.00 0.00 H new ATOM 0 H1' C A 56 11.015 2.952 -0.320 1.00 0.00 H new ATOM 0 H41 C A 56 7.267 -2.447 -0.752 1.00 0.00 H new ATOM 0 H42 C A 56 7.798 -2.370 0.931 1.00 0.00 H new ATOM 0 H5 C A 56 8.050 -0.933 -2.435 1.00 0.00 H new ATOM 0 H6 C A 56 9.483 0.979 -2.916 1.00 0.00 H new ATOM 473 P A A 57 15.170 1.697 -3.723 1.00 0.00 P ATOM 474 OP1 A A 57 16.346 2.524 -4.073 1.00 0.00 O ATOM 475 OP2 A A 57 14.607 0.761 -4.722 1.00 0.00 O ATOM 476 O5' A A 57 15.524 0.858 -2.396 1.00 0.00 O ATOM 477 C5' A A 57 16.060 1.513 -1.245 1.00 0.00 C ATOM 478 C4' A A 57 16.310 0.531 -0.101 1.00 0.00 C ATOM 479 O4' A A 57 15.051 0.036 0.382 1.00 0.00 O ATOM 480 C3' A A 57 17.152 -0.683 -0.505 1.00 0.00 C ATOM 481 O3' A A 57 18.089 -1.028 0.521 1.00 0.00 O ATOM 482 C2' A A 57 16.127 -1.783 -0.691 1.00 0.00 C ATOM 483 O2' A A 57 16.675 -3.069 -0.378 1.00 0.00 O ATOM 484 C1' A A 57 15.037 -1.392 0.288 1.00 0.00 C ATOM 485 N9 A A 57 13.689 -1.825 -0.123 1.00 0.00 N ATOM 486 C8 A A 57 13.066 -1.668 -1.335 1.00 0.00 C ATOM 487 N7 A A 57 11.884 -2.215 -1.396 1.00 0.00 N ATOM 488 C5 A A 57 11.711 -2.774 -0.133 1.00 0.00 C ATOM 489 C6 A A 57 10.659 -3.502 0.447 1.00 0.00 C ATOM 490 N6 A A 57 9.538 -3.809 -0.203 1.00 0.00 N ATOM 491 N1 A A 57 10.816 -3.903 1.720 1.00 0.00 N ATOM 492 C2 A A 57 11.938 -3.599 2.361 1.00 0.00 C ATOM 493 N3 A A 57 12.992 -2.926 1.927 1.00 0.00 N ATOM 494 C4 A A 57 12.805 -2.537 0.649 1.00 0.00 C ATOM 0 H5' A A 57 15.370 2.289 -0.914 1.00 0.00 H new ATOM 0 H5'' A A 57 16.994 2.008 -1.510 1.00 0.00 H new ATOM 0 H4' A A 57 16.861 1.086 0.658 1.00 0.00 H new ATOM 0 H3' A A 57 17.748 -0.501 -1.399 1.00 0.00 H new ATOM 0 H2' A A 57 15.773 -1.873 -1.718 1.00 0.00 H new ATOM 0 HO2' A A 57 17.274 -2.990 0.393 1.00 0.00 H new ATOM 0 HO3' A A 57 17.675 -0.897 1.400 1.00 0.00 H new ATOM 0 H1' A A 57 15.242 -1.886 1.238 1.00 0.00 H new ATOM 0 H8 A A 57 13.514 -1.139 -2.163 1.00 0.00 H new ATOM 0 H61 A A 57 8.805 -4.341 0.267 1.00 0.00 H new ATOM 0 H62 A A 57 9.412 -3.513 -1.171 1.00 0.00 H new ATOM 0 H2 A A 57 12.000 -3.950 3.380 1.00 0.00 H new TER 507 A A 57