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 0:sc= -0.58 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00353 USER MOD Single : A 43 A O2' : rot 180:sc= -0.156 USER MOD Single : A 44 U O2' : rot -9:sc= -0.0503 USER MOD Single : A 45 C O2' : rot -4:sc= -0.811 USER MOD Single : A 46 U O2' : rot -12:sc= 0.0889 USER MOD Single : A 47 C O2' : rot -161:sc= -2.43! USER MOD Single : A 48 U O2' : rot -106:sc= -5.96! USER MOD Single : A 49 U O2' : rot 42:sc= -1.35! USER MOD Single : A 50 G O2' : rot -80:sc= -6.16! USER MOD Single : A 51 U O2' : rot -128:sc= -4.88! USER MOD Single : A 52 A O2' : rot 0:sc= -0.633 USER MOD Single : A 53 G O2' : rot 180:sc= -0.352 USER MOD Single : A 54 A O2' : rot -1:sc= -1.56! USER MOD Single : A 55 U O2' : rot -3:sc= -0.668 USER MOD Single : A 56 C O2' : rot 11:sc= -2.19! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 128:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.191 -4.507 9.076 1.00 0.00 O ATOM 2 C5' G A 42 7.086 -4.074 10.103 1.00 0.00 C ATOM 3 C4' G A 42 7.943 -2.906 9.637 1.00 0.00 C ATOM 4 O4' G A 42 8.849 -3.308 8.613 1.00 0.00 O ATOM 5 C3' G A 42 7.160 -1.739 9.069 1.00 0.00 C ATOM 6 O3' G A 42 6.676 -0.906 10.128 1.00 0.00 O ATOM 7 C2' G A 42 8.222 -1.034 8.258 1.00 0.00 C ATOM 8 O2' G A 42 9.048 -0.201 9.082 1.00 0.00 O ATOM 9 C1' G A 42 9.003 -2.214 7.693 1.00 0.00 C ATOM 10 N9 G A 42 8.517 -2.683 6.386 1.00 0.00 N ATOM 11 C8 G A 42 7.663 -3.718 6.125 1.00 0.00 C ATOM 12 N7 G A 42 7.413 -3.893 4.859 1.00 0.00 N ATOM 13 C5 G A 42 8.156 -2.898 4.231 1.00 0.00 C ATOM 14 C6 G A 42 8.279 -2.593 2.848 1.00 0.00 C ATOM 15 O6 G A 42 7.749 -3.163 1.899 1.00 0.00 O ATOM 16 N1 G A 42 9.127 -1.509 2.636 1.00 0.00 N ATOM 17 C2 G A 42 9.777 -0.810 3.637 1.00 0.00 C ATOM 18 N2 G A 42 10.555 0.200 3.250 1.00 0.00 N ATOM 19 N3 G A 42 9.661 -1.100 4.938 1.00 0.00 N ATOM 20 C4 G A 42 8.837 -2.151 5.159 1.00 0.00 C ATOM 0 H5' G A 42 7.729 -4.903 10.401 1.00 0.00 H new ATOM 0 H5'' G A 42 6.516 -3.780 10.984 1.00 0.00 H new ATOM 0 H4' G A 42 8.455 -2.584 10.544 1.00 0.00 H new ATOM 0 H3' G A 42 6.279 -2.018 8.491 1.00 0.00 H new ATOM 0 H2' G A 42 7.827 -0.358 7.500 1.00 0.00 H new ATOM 0 HO2' G A 42 8.749 -0.263 10.013 1.00 0.00 H new ATOM 0 HO5' G A 42 5.655 -5.259 9.405 1.00 0.00 H new ATOM 0 H1' G A 42 10.033 -1.883 7.560 1.00 0.00 H new ATOM 0 H8 G A 42 7.234 -4.336 6.900 1.00 0.00 H new ATOM 0 H1 G A 42 9.280 -1.209 1.673 1.00 0.00 H new ATOM 0 H21 G A 42 11.059 0.751 3.945 1.00 0.00 H new ATOM 0 H22 G A 42 10.647 0.422 2.259 1.00 0.00 H new ATOM 33 P A A 43 5.348 -0.012 9.935 1.00 0.00 P ATOM 34 OP1 A A 43 5.032 0.631 11.230 1.00 0.00 O ATOM 35 OP2 A A 43 4.327 -0.842 9.257 1.00 0.00 O ATOM 36 O5' A A 43 5.828 1.132 8.909 1.00 0.00 O ATOM 37 C5' A A 43 6.822 2.081 9.300 1.00 0.00 C ATOM 38 C4' A A 43 7.230 2.988 8.141 1.00 0.00 C ATOM 39 O4' A A 43 7.882 2.236 7.111 1.00 0.00 O ATOM 40 C3' A A 43 6.076 3.693 7.451 1.00 0.00 C ATOM 41 O3' A A 43 5.690 4.858 8.193 1.00 0.00 O ATOM 42 C2' A A 43 6.712 4.064 6.130 1.00 0.00 C ATOM 43 O2' A A 43 7.541 5.226 6.251 1.00 0.00 O ATOM 44 C1' A A 43 7.534 2.815 5.837 1.00 0.00 C ATOM 45 N9 A A 43 6.796 1.798 5.063 1.00 0.00 N ATOM 46 C8 A A 43 6.096 0.708 5.515 1.00 0.00 C ATOM 47 N7 A A 43 5.525 0.015 4.568 1.00 0.00 N ATOM 48 C5 A A 43 5.870 0.695 3.406 1.00 0.00 C ATOM 49 C6 A A 43 5.574 0.473 2.052 1.00 0.00 C ATOM 50 N6 A A 43 4.834 -0.552 1.619 1.00 0.00 N ATOM 51 N1 A A 43 6.073 1.347 1.165 1.00 0.00 N ATOM 52 C2 A A 43 6.814 2.360 1.594 1.00 0.00 C ATOM 53 N3 A A 43 7.162 2.674 2.830 1.00 0.00 N ATOM 54 C4 A A 43 6.645 1.783 3.700 1.00 0.00 C ATOM 0 H5' A A 43 7.699 1.554 9.675 1.00 0.00 H new ATOM 0 H5'' A A 43 6.441 2.689 10.120 1.00 0.00 H new ATOM 0 H4' A A 43 7.877 3.729 8.610 1.00 0.00 H new ATOM 0 H3' A A 43 5.166 3.101 7.353 1.00 0.00 H new ATOM 0 H2' A A 43 5.999 4.323 5.347 1.00 0.00 H new ATOM 0 HO2' A A 43 7.937 5.437 5.380 1.00 0.00 H new ATOM 0 H1' A A 43 8.398 3.108 5.240 1.00 0.00 H new ATOM 0 H8 A A 43 6.024 0.447 6.561 1.00 0.00 H new ATOM 0 H61 A A 43 4.651 -0.664 0.622 1.00 0.00 H new ATOM 0 H62 A A 43 4.452 -1.223 2.286 1.00 0.00 H new ATOM 0 H2 A A 43 7.185 3.021 0.825 1.00 0.00 H new ATOM 66 P U A 44 4.175 5.415 8.124 1.00 0.00 P ATOM 67 OP1 U A 44 4.047 6.521 9.100 1.00 0.00 O ATOM 68 OP2 U A 44 3.256 4.258 8.200 1.00 0.00 O ATOM 69 O5' U A 44 4.068 6.042 6.642 1.00 0.00 O ATOM 70 C5' U A 44 4.845 7.189 6.290 1.00 0.00 C ATOM 71 C4' U A 44 4.715 7.542 4.808 1.00 0.00 C ATOM 72 O4' U A 44 5.278 6.509 4.001 1.00 0.00 O ATOM 73 C3' U A 44 3.294 7.705 4.300 1.00 0.00 C ATOM 74 O3' U A 44 2.782 9.008 4.616 1.00 0.00 O ATOM 75 C2' U A 44 3.518 7.567 2.806 1.00 0.00 C ATOM 76 O2' U A 44 4.026 8.780 2.236 1.00 0.00 O ATOM 77 C1' U A 44 4.553 6.449 2.756 1.00 0.00 C ATOM 78 N1 U A 44 3.953 5.108 2.646 1.00 0.00 N ATOM 79 C2 U A 44 3.632 4.661 1.382 1.00 0.00 C ATOM 80 O2 U A 44 3.847 5.333 0.376 1.00 0.00 O ATOM 81 N3 U A 44 3.053 3.410 1.311 1.00 0.00 N ATOM 82 C4 U A 44 2.769 2.578 2.377 1.00 0.00 C ATOM 83 O4 U A 44 2.257 1.476 2.190 1.00 0.00 O ATOM 84 C5 U A 44 3.132 3.126 3.662 1.00 0.00 C ATOM 85 C6 U A 44 3.701 4.352 3.758 1.00 0.00 C ATOM 0 H5' U A 44 5.893 7.003 6.527 1.00 0.00 H new ATOM 0 H5'' U A 44 4.528 8.040 6.894 1.00 0.00 H new ATOM 0 H4' U A 44 5.231 8.499 4.730 1.00 0.00 H new ATOM 0 H3' U A 44 2.576 7.004 4.725 1.00 0.00 H new ATOM 0 H2' U A 44 2.611 7.358 2.238 1.00 0.00 H new ATOM 0 HO2' U A 44 3.986 9.497 2.903 1.00 0.00 H new ATOM 0 H1' U A 44 5.179 6.594 1.875 1.00 0.00 H new ATOM 0 H3 U A 44 2.811 3.066 0.382 1.00 0.00 H new ATOM 0 H5 U A 44 2.948 2.552 4.558 1.00 0.00 H new ATOM 0 H6 U A 44 3.961 4.740 4.732 1.00 0.00 H new ATOM 96 P C A 45 1.193 9.238 4.820 1.00 0.00 P ATOM 97 OP1 C A 45 0.984 10.636 5.259 1.00 0.00 O ATOM 98 OP2 C A 45 0.669 8.124 5.641 1.00 0.00 O ATOM 99 O5' C A 45 0.600 9.086 3.328 1.00 0.00 O ATOM 100 C5' C A 45 0.936 10.035 2.315 1.00 0.00 C ATOM 101 C4' C A 45 0.427 9.607 0.937 1.00 0.00 C ATOM 102 O4' C A 45 1.093 8.420 0.513 1.00 0.00 O ATOM 103 C3' C A 45 -1.054 9.280 0.841 1.00 0.00 C ATOM 104 O3' C A 45 -1.828 10.474 0.699 1.00 0.00 O ATOM 105 C2' C A 45 -1.097 8.466 -0.433 1.00 0.00 C ATOM 106 O2' C A 45 -1.116 9.304 -1.594 1.00 0.00 O ATOM 107 C1' C A 45 0.200 7.672 -0.335 1.00 0.00 C ATOM 108 N1 C A 45 0.014 6.339 0.265 1.00 0.00 N ATOM 109 C2 C A 45 -0.401 5.324 -0.573 1.00 0.00 C ATOM 110 O2 C A 45 -0.603 5.559 -1.765 1.00 0.00 O ATOM 111 N3 C A 45 -0.581 4.082 -0.041 1.00 0.00 N ATOM 112 C4 C A 45 -0.356 3.849 1.257 1.00 0.00 C ATOM 113 N4 C A 45 -0.535 2.619 1.741 1.00 0.00 N ATOM 114 C5 C A 45 0.071 4.901 2.127 1.00 0.00 C ATOM 115 C6 C A 45 0.236 6.125 1.592 1.00 0.00 C ATOM 0 H5' C A 45 2.018 10.159 2.279 1.00 0.00 H new ATOM 0 H5'' C A 45 0.512 11.006 2.573 1.00 0.00 H new ATOM 0 H4' C A 45 0.626 10.484 0.321 1.00 0.00 H new ATOM 0 H3' C A 45 -1.457 8.770 1.716 1.00 0.00 H new ATOM 0 H2' C A 45 -1.988 7.846 -0.532 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.164 10.243 -1.319 1.00 0.00 H new ATOM 0 H1' C A 45 0.587 7.525 -1.343 1.00 0.00 H new ATOM 0 H41 C A 45 -0.366 2.430 2.729 1.00 0.00 H new ATOM 0 H42 C A 45 -0.841 1.867 1.123 1.00 0.00 H new ATOM 0 H5 C A 45 0.254 4.720 3.176 1.00 0.00 H new ATOM 0 H6 C A 45 0.548 6.946 2.221 1.00 0.00 H new ATOM 127 P U A 46 -3.367 10.529 1.181 1.00 0.00 P ATOM 128 OP1 U A 46 -3.847 11.921 1.029 1.00 0.00 O ATOM 129 OP2 U A 46 -3.463 9.858 2.496 1.00 0.00 O ATOM 130 O5' U A 46 -4.130 9.612 0.091 1.00 0.00 O ATOM 131 C5' U A 46 -4.187 10.017 -1.281 1.00 0.00 C ATOM 132 C4' U A 46 -4.854 8.969 -2.178 1.00 0.00 C ATOM 133 O4' U A 46 -4.073 7.771 -2.222 1.00 0.00 O ATOM 134 C3' U A 46 -6.229 8.521 -1.720 1.00 0.00 C ATOM 135 O3' U A 46 -7.221 9.477 -2.126 1.00 0.00 O ATOM 136 C2' U A 46 -6.373 7.225 -2.498 1.00 0.00 C ATOM 137 O2' U A 46 -6.749 7.465 -3.859 1.00 0.00 O ATOM 138 C1' U A 46 -4.964 6.647 -2.399 1.00 0.00 C ATOM 139 N1 U A 46 -4.790 5.740 -1.246 1.00 0.00 N ATOM 140 C2 U A 46 -5.163 4.417 -1.409 1.00 0.00 C ATOM 141 O2 U A 46 -5.587 3.980 -2.474 1.00 0.00 O ATOM 142 N3 U A 46 -5.028 3.607 -0.299 1.00 0.00 N ATOM 143 C4 U A 46 -4.562 3.994 0.943 1.00 0.00 C ATOM 144 O4 U A 46 -4.487 3.183 1.861 1.00 0.00 O ATOM 145 C5 U A 46 -4.196 5.390 1.025 1.00 0.00 C ATOM 146 C6 U A 46 -4.319 6.205 -0.049 1.00 0.00 C ATOM 0 H5' U A 46 -3.176 10.208 -1.642 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.735 10.956 -1.356 1.00 0.00 H new ATOM 0 H4' U A 46 -4.938 9.473 -3.141 1.00 0.00 H new ATOM 0 H3' U A 46 -6.348 8.415 -0.642 1.00 0.00 H new ATOM 0 H2' U A 46 -7.150 6.564 -2.114 1.00 0.00 H new ATOM 0 HO2' U A 46 -7.030 8.398 -3.961 1.00 0.00 H new ATOM 0 H1' U A 46 -4.761 6.065 -3.298 1.00 0.00 H new ATOM 0 H3 U A 46 -5.298 2.629 -0.406 1.00 0.00 H new ATOM 0 H5 U A 46 -3.819 5.788 1.956 1.00 0.00 H new ATOM 0 H6 U A 46 -4.039 7.244 0.041 1.00 0.00 H new ATOM 157 P C A 47 -8.579 9.671 -1.269 1.00 0.00 P ATOM 158 OP1 C A 47 -9.315 10.822 -1.837 1.00 0.00 O ATOM 159 OP2 C A 47 -8.216 9.672 0.166 1.00 0.00 O ATOM 160 O5' C A 47 -9.438 8.338 -1.565 1.00 0.00 O ATOM 161 C5' C A 47 -9.952 8.088 -2.874 1.00 0.00 C ATOM 162 C4' C A 47 -10.621 6.717 -2.981 1.00 0.00 C ATOM 163 O4' C A 47 -9.667 5.684 -2.851 1.00 0.00 O ATOM 164 C3' C A 47 -11.688 6.427 -1.944 1.00 0.00 C ATOM 165 O3' C A 47 -12.921 7.038 -2.360 1.00 0.00 O ATOM 166 C2' C A 47 -11.767 4.906 -2.013 1.00 0.00 C ATOM 167 O2' C A 47 -12.660 4.492 -3.047 1.00 0.00 O ATOM 168 C1' C A 47 -10.317 4.505 -2.343 1.00 0.00 C ATOM 169 N1 C A 47 -9.520 4.073 -1.187 1.00 0.00 N ATOM 170 C2 C A 47 -9.585 2.746 -0.809 1.00 0.00 C ATOM 171 O2 C A 47 -10.314 1.964 -1.422 1.00 0.00 O ATOM 172 N3 C A 47 -8.814 2.343 0.243 1.00 0.00 N ATOM 173 C4 C A 47 -8.022 3.210 0.888 1.00 0.00 C ATOM 174 N4 C A 47 -7.274 2.786 1.904 1.00 0.00 N ATOM 175 C5 C A 47 -7.967 4.583 0.501 1.00 0.00 C ATOM 176 C6 C A 47 -8.733 4.967 -0.533 1.00 0.00 C ATOM 0 H5' C A 47 -9.141 8.152 -3.599 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.673 8.863 -3.133 1.00 0.00 H new ATOM 0 H4' C A 47 -11.095 6.748 -3.962 1.00 0.00 H new ATOM 0 H3' C A 47 -11.486 6.802 -0.941 1.00 0.00 H new ATOM 0 H2' C A 47 -12.144 4.448 -1.098 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.932 3.563 -2.892 1.00 0.00 H new ATOM 0 H1' C A 47 -10.373 3.665 -3.036 1.00 0.00 H new ATOM 0 H41 C A 47 -6.669 3.441 2.400 1.00 0.00 H new ATOM 0 H42 C A 47 -7.306 1.807 2.187 1.00 0.00 H new ATOM 0 H5 C A 47 -7.333 5.287 1.020 1.00 0.00 H new ATOM 0 H6 C A 47 -8.723 6.000 -0.849 1.00 0.00 H new ATOM 188 P U A 48 -14.046 7.521 -1.304 1.00 0.00 P ATOM 189 OP1 U A 48 -15.088 8.260 -2.052 1.00 0.00 O ATOM 190 OP2 U A 48 -13.356 8.178 -0.171 1.00 0.00 O ATOM 191 O5' U A 48 -14.701 6.152 -0.760 1.00 0.00 O ATOM 192 C5' U A 48 -16.080 6.141 -0.353 1.00 0.00 C ATOM 193 C4' U A 48 -16.558 4.742 0.031 1.00 0.00 C ATOM 194 O4' U A 48 -16.622 3.906 -1.135 1.00 0.00 O ATOM 195 C3' U A 48 -15.663 4.037 1.056 1.00 0.00 C ATOM 196 O3' U A 48 -16.500 3.286 1.960 1.00 0.00 O ATOM 197 C2' U A 48 -14.870 3.087 0.168 1.00 0.00 C ATOM 198 O2' U A 48 -14.390 1.958 0.885 1.00 0.00 O ATOM 199 C1' U A 48 -15.921 2.701 -0.851 1.00 0.00 C ATOM 200 N1 U A 48 -15.406 2.146 -2.127 1.00 0.00 N ATOM 201 C2 U A 48 -15.854 0.891 -2.514 1.00 0.00 C ATOM 202 O2 U A 48 -16.647 0.244 -1.835 1.00 0.00 O ATOM 203 N3 U A 48 -15.360 0.410 -3.713 1.00 0.00 N ATOM 204 C4 U A 48 -14.470 1.060 -4.548 1.00 0.00 C ATOM 205 O4 U A 48 -14.094 0.536 -5.594 1.00 0.00 O ATOM 206 C5 U A 48 -14.057 2.359 -4.069 1.00 0.00 C ATOM 207 C6 U A 48 -14.528 2.852 -2.898 1.00 0.00 C ATOM 0 H5' U A 48 -16.699 6.525 -1.164 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.212 6.813 0.495 1.00 0.00 H new ATOM 0 H4' U A 48 -17.538 4.887 0.485 1.00 0.00 H new ATOM 0 H3' U A 48 -15.041 4.698 1.660 1.00 0.00 H new ATOM 0 H2' U A 48 -13.968 3.525 -0.258 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.427 2.053 1.038 1.00 0.00 H new ATOM 0 H1' U A 48 -16.525 1.900 -0.425 1.00 0.00 H new ATOM 0 H3 U A 48 -15.683 -0.511 -4.009 1.00 0.00 H new ATOM 0 H5 U A 48 -13.363 2.946 -4.653 1.00 0.00 H new ATOM 0 H6 U A 48 -14.201 3.827 -2.567 1.00 0.00 H new ATOM 218 P U A 49 -16.139 3.016 3.521 1.00 0.00 P ATOM 219 OP1 U A 49 -17.289 2.321 4.141 1.00 0.00 O ATOM 220 OP2 U A 49 -15.655 4.288 4.103 1.00 0.00 O ATOM 221 O5' U A 49 -14.901 1.987 3.482 1.00 0.00 O ATOM 222 C5' U A 49 -15.028 0.676 2.932 1.00 0.00 C ATOM 223 C4' U A 49 -13.665 -0.008 2.873 1.00 0.00 C ATOM 224 O4' U A 49 -12.756 0.837 2.127 1.00 0.00 O ATOM 225 C3' U A 49 -13.003 -0.246 4.233 1.00 0.00 C ATOM 226 O3' U A 49 -12.359 -1.519 4.164 1.00 0.00 O ATOM 227 C2' U A 49 -11.977 0.853 4.375 1.00 0.00 C ATOM 228 O2' U A 49 -10.843 0.421 5.134 1.00 0.00 O ATOM 229 C1' U A 49 -11.604 1.143 2.941 1.00 0.00 C ATOM 230 N1 U A 49 -11.189 2.550 2.724 1.00 0.00 N ATOM 231 C2 U A 49 -9.883 2.869 3.048 1.00 0.00 C ATOM 232 O2 U A 49 -9.094 2.029 3.475 1.00 0.00 O ATOM 233 N3 U A 49 -9.513 4.189 2.866 1.00 0.00 N ATOM 234 C4 U A 49 -10.322 5.205 2.392 1.00 0.00 C ATOM 235 O4 U A 49 -9.885 6.348 2.269 1.00 0.00 O ATOM 236 C5 U A 49 -11.667 4.785 2.075 1.00 0.00 C ATOM 237 C6 U A 49 -12.054 3.497 2.248 1.00 0.00 C ATOM 0 H5' U A 49 -15.457 0.734 1.932 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.713 0.084 3.539 1.00 0.00 H new ATOM 0 H4' U A 49 -13.850 -0.980 2.416 1.00 0.00 H new ATOM 0 H3' U A 49 -13.698 -0.238 5.072 1.00 0.00 H new ATOM 0 H2' U A 49 -12.352 1.726 4.910 1.00 0.00 H new ATOM 0 HO2' U A 49 -10.596 -0.488 4.864 1.00 0.00 H new ATOM 0 H1' U A 49 -10.744 0.531 2.672 1.00 0.00 H new ATOM 0 H3 U A 49 -8.552 4.436 3.104 1.00 0.00 H new ATOM 0 H5 U A 49 -12.375 5.507 1.695 1.00 0.00 H new ATOM 0 H6 U A 49 -13.067 3.213 2.005 1.00 0.00 H new ATOM 248 P G A 50 -11.866 -2.335 5.458 1.00 0.00 P ATOM 249 OP1 G A 50 -13.021 -2.530 6.362 1.00 0.00 O ATOM 250 OP2 G A 50 -10.619 -1.716 5.962 1.00 0.00 O ATOM 251 O5' G A 50 -11.498 -3.750 4.783 1.00 0.00 O ATOM 252 C5' G A 50 -12.544 -4.588 4.284 1.00 0.00 C ATOM 253 C4' G A 50 -12.021 -5.685 3.367 1.00 0.00 C ATOM 254 O4' G A 50 -11.593 -5.077 2.153 1.00 0.00 O ATOM 255 C3' G A 50 -10.841 -6.476 3.921 1.00 0.00 C ATOM 256 O3' G A 50 -11.232 -7.802 4.246 1.00 0.00 O ATOM 257 C2' G A 50 -9.864 -6.533 2.753 1.00 0.00 C ATOM 258 O2' G A 50 -10.102 -7.686 1.936 1.00 0.00 O ATOM 259 C1' G A 50 -10.187 -5.257 2.005 1.00 0.00 C ATOM 260 N9 G A 50 -9.515 -4.056 2.538 1.00 0.00 N ATOM 261 C8 G A 50 -8.818 -3.901 3.709 1.00 0.00 C ATOM 262 N7 G A 50 -8.279 -2.727 3.854 1.00 0.00 N ATOM 263 C5 G A 50 -8.638 -2.052 2.697 1.00 0.00 C ATOM 264 C6 G A 50 -8.340 -0.726 2.298 1.00 0.00 C ATOM 265 O6 G A 50 -7.672 0.112 2.901 1.00 0.00 O ATOM 266 N1 G A 50 -8.905 -0.429 1.060 1.00 0.00 N ATOM 267 C2 G A 50 -9.654 -1.309 0.300 1.00 0.00 C ATOM 268 N2 G A 50 -10.114 -0.854 -0.867 1.00 0.00 N ATOM 269 N3 G A 50 -9.926 -2.559 0.679 1.00 0.00 N ATOM 270 C4 G A 50 -9.391 -2.858 1.883 1.00 0.00 C ATOM 0 H5' G A 50 -13.267 -3.978 3.741 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.074 -5.041 5.122 1.00 0.00 H new ATOM 0 H4' G A 50 -12.842 -6.391 3.240 1.00 0.00 H new ATOM 0 H3' G A 50 -10.432 -6.023 4.824 1.00 0.00 H new ATOM 0 H2' G A 50 -8.820 -6.610 3.057 1.00 0.00 H new ATOM 0 HO2' G A 50 -9.694 -8.473 2.354 1.00 0.00 H new ATOM 0 H1' G A 50 -9.846 -5.361 0.975 1.00 0.00 H new ATOM 0 H8 G A 50 -8.725 -4.685 4.446 1.00 0.00 H new ATOM 0 H1 G A 50 -8.755 0.508 0.686 1.00 0.00 H new ATOM 0 H21 G A 50 -10.672 -1.461 -1.467 1.00 0.00 H new ATOM 0 H22 G A 50 -9.908 0.101 -1.159 1.00 0.00 H new ATOM 282 P U A 51 -10.138 -8.792 4.874 1.00 0.00 P ATOM 283 OP1 U A 51 -10.820 -10.038 5.291 1.00 0.00 O ATOM 284 OP2 U A 51 -9.322 -8.032 5.847 1.00 0.00 O ATOM 285 O5' U A 51 -9.223 -9.120 3.590 1.00 0.00 O ATOM 286 C5' U A 51 -7.882 -9.585 3.744 1.00 0.00 C ATOM 287 C4' U A 51 -7.310 -10.054 2.414 1.00 0.00 C ATOM 288 O4' U A 51 -8.038 -11.200 1.971 1.00 0.00 O ATOM 289 C3' U A 51 -7.361 -9.026 1.291 1.00 0.00 C ATOM 290 O3' U A 51 -6.178 -9.187 0.507 1.00 0.00 O ATOM 291 C2' U A 51 -8.590 -9.395 0.483 1.00 0.00 C ATOM 292 O2' U A 51 -8.363 -9.201 -0.918 1.00 0.00 O ATOM 293 C1' U A 51 -8.808 -10.876 0.806 1.00 0.00 C ATOM 294 N1 U A 51 -10.218 -11.263 1.085 1.00 0.00 N ATOM 295 C2 U A 51 -10.713 -12.391 0.447 1.00 0.00 C ATOM 296 O2 U A 51 -10.033 -13.045 -0.341 1.00 0.00 O ATOM 297 N3 U A 51 -12.017 -12.741 0.747 1.00 0.00 N ATOM 298 C4 U A 51 -12.862 -12.075 1.616 1.00 0.00 C ATOM 299 O4 U A 51 -14.007 -12.478 1.808 1.00 0.00 O ATOM 300 C5 U A 51 -12.269 -10.914 2.239 1.00 0.00 C ATOM 301 C6 U A 51 -10.994 -10.549 1.964 1.00 0.00 C ATOM 0 H5' U A 51 -7.858 -10.404 4.463 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.261 -8.786 4.149 1.00 0.00 H new ATOM 0 H4' U A 51 -6.258 -10.261 2.612 1.00 0.00 H new ATOM 0 H3' U A 51 -7.412 -7.993 1.636 1.00 0.00 H new ATOM 0 H2' U A 51 -9.455 -8.779 0.728 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.083 -8.652 -1.293 1.00 0.00 H new ATOM 0 H1' U A 51 -8.505 -11.421 -0.088 1.00 0.00 H new ATOM 0 H3 U A 51 -12.391 -13.569 0.283 1.00 0.00 H new ATOM 0 H5 U A 51 -12.851 -10.328 2.935 1.00 0.00 H new ATOM 0 H6 U A 51 -10.579 -9.677 2.447 1.00 0.00 H new ATOM 312 P A A 52 -5.019 -8.074 0.427 1.00 0.00 P ATOM 313 OP1 A A 52 -3.867 -8.660 -0.296 1.00 0.00 O ATOM 314 OP2 A A 52 -4.827 -7.508 1.781 1.00 0.00 O ATOM 315 O5' A A 52 -5.667 -6.937 -0.504 1.00 0.00 O ATOM 316 C5' A A 52 -6.577 -7.298 -1.542 1.00 0.00 C ATOM 317 C4' A A 52 -6.906 -6.115 -2.439 1.00 0.00 C ATOM 318 O4' A A 52 -7.597 -5.079 -1.727 1.00 0.00 O ATOM 319 C3' A A 52 -5.672 -5.454 -3.016 1.00 0.00 C ATOM 320 O3' A A 52 -5.241 -6.197 -4.164 1.00 0.00 O ATOM 321 C2' A A 52 -6.205 -4.092 -3.405 1.00 0.00 C ATOM 322 O2' A A 52 -6.897 -4.136 -4.658 1.00 0.00 O ATOM 323 C1' A A 52 -7.158 -3.805 -2.250 1.00 0.00 C ATOM 324 N9 A A 52 -6.542 -3.056 -1.141 1.00 0.00 N ATOM 325 C8 A A 52 -6.113 -3.516 0.079 1.00 0.00 C ATOM 326 N7 A A 52 -5.647 -2.576 0.859 1.00 0.00 N ATOM 327 C5 A A 52 -5.777 -1.415 0.097 1.00 0.00 C ATOM 328 C6 A A 52 -5.460 -0.068 0.349 1.00 0.00 C ATOM 329 N6 A A 52 -4.928 0.356 1.492 1.00 0.00 N ATOM 330 N1 A A 52 -5.714 0.820 -0.627 1.00 0.00 N ATOM 331 C2 A A 52 -6.247 0.393 -1.767 1.00 0.00 C ATOM 332 N3 A A 52 -6.590 -0.835 -2.119 1.00 0.00 N ATOM 333 C4 A A 52 -6.322 -1.702 -1.121 1.00 0.00 C ATOM 0 H5' A A 52 -7.495 -7.687 -1.102 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.146 -8.100 -2.141 1.00 0.00 H new ATOM 0 H4' A A 52 -7.522 -6.542 -3.230 1.00 0.00 H new ATOM 0 H3' A A 52 -4.814 -5.400 -2.346 1.00 0.00 H new ATOM 0 H2' A A 52 -5.434 -3.335 -3.547 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.887 -5.052 -5.005 1.00 0.00 H new ATOM 0 H1' A A 52 -7.968 -3.190 -2.641 1.00 0.00 H new ATOM 0 H8 A A 52 -6.156 -4.556 0.367 1.00 0.00 H new ATOM 0 H61 A A 52 -4.718 1.346 1.621 1.00 0.00 H new ATOM 0 H62 A A 52 -4.730 -0.309 2.240 1.00 0.00 H new ATOM 0 H2 A A 52 -6.425 1.156 -2.510 1.00 0.00 H new ATOM 345 P G A 53 -3.698 -6.209 -4.622 1.00 0.00 P ATOM 346 OP1 G A 53 -3.557 -7.155 -5.752 1.00 0.00 O ATOM 347 OP2 G A 53 -2.856 -6.368 -3.416 1.00 0.00 O ATOM 348 O5' G A 53 -3.496 -4.721 -5.184 1.00 0.00 O ATOM 349 C5' G A 53 -4.203 -4.293 -6.346 1.00 0.00 C ATOM 350 C4' G A 53 -3.985 -2.811 -6.604 1.00 0.00 C ATOM 351 O4' G A 53 -4.545 -2.040 -5.540 1.00 0.00 O ATOM 352 C3' G A 53 -2.532 -2.389 -6.676 1.00 0.00 C ATOM 353 O3' G A 53 -1.994 -2.664 -7.974 1.00 0.00 O ATOM 354 C2' G A 53 -2.663 -0.895 -6.449 1.00 0.00 C ATOM 355 O2' G A 53 -3.090 -0.219 -7.639 1.00 0.00 O ATOM 356 C1' G A 53 -3.741 -0.861 -5.368 1.00 0.00 C ATOM 357 N9 G A 53 -3.188 -0.870 -4.003 1.00 0.00 N ATOM 358 C8 G A 53 -2.969 -1.928 -3.159 1.00 0.00 C ATOM 359 N7 G A 53 -2.422 -1.593 -2.024 1.00 0.00 N ATOM 360 C5 G A 53 -2.264 -0.214 -2.125 1.00 0.00 C ATOM 361 C6 G A 53 -1.717 0.711 -1.195 1.00 0.00 C ATOM 362 O6 G A 53 -1.265 0.483 -0.072 1.00 0.00 O ATOM 363 N1 G A 53 -1.743 2.011 -1.698 1.00 0.00 N ATOM 364 C2 G A 53 -2.239 2.370 -2.940 1.00 0.00 C ATOM 365 N2 G A 53 -2.186 3.663 -3.260 1.00 0.00 N ATOM 366 N3 G A 53 -2.753 1.498 -3.805 1.00 0.00 N ATOM 367 C4 G A 53 -2.732 0.233 -3.333 1.00 0.00 C ATOM 0 H5' G A 53 -5.268 -4.491 -6.221 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.871 -4.868 -7.210 1.00 0.00 H new ATOM 0 H4' G A 53 -4.457 -2.636 -7.571 1.00 0.00 H new ATOM 0 H3' G A 53 -1.870 -2.897 -5.975 1.00 0.00 H new ATOM 0 H2' G A 53 -1.733 -0.397 -6.174 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.166 0.741 -7.460 1.00 0.00 H new ATOM 0 H1' G A 53 -4.309 0.063 -5.476 1.00 0.00 H new ATOM 0 H8 G A 53 -3.226 -2.946 -3.411 1.00 0.00 H new ATOM 0 H1 G A 53 -1.369 2.753 -1.107 1.00 0.00 H new ATOM 0 H21 G A 53 -2.538 3.980 -4.163 1.00 0.00 H new ATOM 0 H22 G A 53 -1.793 4.336 -2.602 1.00 0.00 H new ATOM 379 P A A 54 -0.422 -2.968 -8.161 1.00 0.00 P ATOM 380 OP1 A A 54 -0.183 -3.316 -9.579 1.00 0.00 O ATOM 381 OP2 A A 54 0.000 -3.900 -7.091 1.00 0.00 O ATOM 382 O5' A A 54 0.247 -1.536 -7.874 1.00 0.00 O ATOM 383 C5' A A 54 0.002 -0.436 -8.745 1.00 0.00 C ATOM 384 C4' A A 54 0.592 0.855 -8.191 1.00 0.00 C ATOM 385 O4' A A 54 -0.061 1.228 -6.972 1.00 0.00 O ATOM 386 C3' A A 54 2.065 0.800 -7.834 1.00 0.00 C ATOM 387 O3' A A 54 2.885 0.979 -8.986 1.00 0.00 O ATOM 388 C2' A A 54 2.189 2.009 -6.940 1.00 0.00 C ATOM 389 O2' A A 54 2.281 3.218 -7.702 1.00 0.00 O ATOM 390 C1' A A 54 0.892 1.943 -6.158 1.00 0.00 C ATOM 391 N9 A A 54 1.031 1.247 -4.867 1.00 0.00 N ATOM 392 C8 A A 54 0.720 -0.047 -4.535 1.00 0.00 C ATOM 393 N7 A A 54 0.957 -0.341 -3.286 1.00 0.00 N ATOM 394 C5 A A 54 1.464 0.843 -2.759 1.00 0.00 C ATOM 395 C6 A A 54 1.914 1.199 -1.478 1.00 0.00 C ATOM 396 N6 A A 54 1.923 0.358 -0.444 1.00 0.00 N ATOM 397 N1 A A 54 2.352 2.457 -1.310 1.00 0.00 N ATOM 398 C2 A A 54 2.345 3.293 -2.341 1.00 0.00 C ATOM 399 N3 A A 54 1.947 3.079 -3.580 1.00 0.00 N ATOM 400 C4 A A 54 1.511 1.811 -3.718 1.00 0.00 C ATOM 0 H5' A A 54 -1.072 -0.315 -8.887 1.00 0.00 H new ATOM 0 H5'' A A 54 0.432 -0.643 -9.725 1.00 0.00 H new ATOM 0 H4' A A 54 0.447 1.560 -9.009 1.00 0.00 H new ATOM 0 H3' A A 54 2.373 -0.147 -7.391 1.00 0.00 H new ATOM 0 H2' A A 54 3.083 2.010 -6.317 1.00 0.00 H new ATOM 0 HO2' A A 54 2.265 3.004 -8.658 1.00 0.00 H new ATOM 0 H1' A A 54 0.573 2.961 -5.934 1.00 0.00 H new ATOM 0 H8 A A 54 0.316 -0.757 -5.242 1.00 0.00 H new ATOM 0 H61 A A 54 2.262 0.672 0.466 1.00 0.00 H new ATOM 0 H62 A A 54 1.591 -0.599 -0.562 1.00 0.00 H new ATOM 0 H2 A A 54 2.717 4.286 -2.137 1.00 0.00 H new ATOM 412 P U A 55 4.372 0.365 -9.031 1.00 0.00 P ATOM 413 OP1 U A 55 4.958 0.652 -10.359 1.00 0.00 O ATOM 414 OP2 U A 55 4.321 -1.025 -8.524 1.00 0.00 O ATOM 415 O5' U A 55 5.117 1.279 -7.935 1.00 0.00 O ATOM 416 C5' U A 55 5.263 2.682 -8.138 1.00 0.00 C ATOM 417 C4' U A 55 5.840 3.372 -6.903 1.00 0.00 C ATOM 418 O4' U A 55 4.942 3.240 -5.802 1.00 0.00 O ATOM 419 C3' U A 55 7.146 2.794 -6.391 1.00 0.00 C ATOM 420 O3' U A 55 8.253 3.299 -7.146 1.00 0.00 O ATOM 421 C2' U A 55 7.182 3.356 -4.981 1.00 0.00 C ATOM 422 O2' U A 55 7.705 4.689 -4.960 1.00 0.00 O ATOM 423 C1' U A 55 5.707 3.327 -4.583 1.00 0.00 C ATOM 424 N1 U A 55 5.370 2.171 -3.733 1.00 0.00 N ATOM 425 C2 U A 55 5.619 2.299 -2.385 1.00 0.00 C ATOM 426 O2 U A 55 6.081 3.333 -1.903 1.00 0.00 O ATOM 427 N3 U A 55 5.320 1.200 -1.606 1.00 0.00 N ATOM 428 C4 U A 55 4.796 0.001 -2.047 1.00 0.00 C ATOM 429 O4 U A 55 4.561 -0.907 -1.250 1.00 0.00 O ATOM 430 C5 U A 55 4.568 -0.048 -3.476 1.00 0.00 C ATOM 431 C6 U A 55 4.861 1.016 -4.261 1.00 0.00 C ATOM 0 H5' U A 55 4.294 3.118 -8.380 1.00 0.00 H new ATOM 0 H5'' U A 55 5.915 2.861 -8.993 1.00 0.00 H new ATOM 0 H4' U A 55 6.002 4.397 -7.236 1.00 0.00 H new ATOM 0 H3' U A 55 7.209 1.708 -6.454 1.00 0.00 H new ATOM 0 H2' U A 55 7.827 2.795 -4.305 1.00 0.00 H new ATOM 0 HO2' U A 55 7.982 4.946 -5.864 1.00 0.00 H new ATOM 0 H1' U A 55 5.483 4.225 -4.007 1.00 0.00 H new ATOM 0 H3 U A 55 5.504 1.281 -0.606 1.00 0.00 H new ATOM 0 H5 U A 55 4.160 -0.943 -3.921 1.00 0.00 H new ATOM 0 H6 U A 55 4.689 0.951 -5.325 1.00 0.00 H new ATOM 442 P C A 56 9.606 2.433 -7.314 1.00 0.00 P ATOM 443 OP1 C A 56 10.505 3.161 -8.236 1.00 0.00 O ATOM 444 OP2 C A 56 9.221 1.036 -7.616 1.00 0.00 O ATOM 445 O5' C A 56 10.267 2.462 -5.843 1.00 0.00 O ATOM 446 C5' C A 56 10.741 3.681 -5.268 1.00 0.00 C ATOM 447 C4' C A 56 11.267 3.468 -3.846 1.00 0.00 C ATOM 448 O4' C A 56 10.219 3.085 -2.967 1.00 0.00 O ATOM 449 C3' C A 56 12.315 2.382 -3.707 1.00 0.00 C ATOM 450 O3' C A 56 13.595 2.910 -4.072 1.00 0.00 O ATOM 451 C2' C A 56 12.259 2.062 -2.221 1.00 0.00 C ATOM 452 O2' C A 56 13.174 2.875 -1.477 1.00 0.00 O ATOM 453 C1' C A 56 10.802 2.380 -1.855 1.00 0.00 C ATOM 454 N1 C A 56 9.974 1.184 -1.604 1.00 0.00 N ATOM 455 C2 C A 56 10.040 0.612 -0.343 1.00 0.00 C ATOM 456 O2 C A 56 10.782 1.095 0.511 1.00 0.00 O ATOM 457 N3 C A 56 9.271 -0.486 -0.089 1.00 0.00 N ATOM 458 C4 C A 56 8.474 -0.997 -1.042 1.00 0.00 C ATOM 459 N4 C A 56 7.729 -2.066 -0.771 1.00 0.00 N ATOM 460 C5 C A 56 8.411 -0.410 -2.343 1.00 0.00 C ATOM 461 C6 C A 56 9.173 0.672 -2.579 1.00 0.00 C ATOM 0 H5' C A 56 9.934 4.414 -5.252 1.00 0.00 H new ATOM 0 H5'' C A 56 11.534 4.094 -5.892 1.00 0.00 H new ATOM 0 H4' C A 56 11.711 4.432 -3.598 1.00 0.00 H new ATOM 0 H3' C A 56 12.150 1.508 -4.337 1.00 0.00 H new ATOM 0 H2' C A 56 12.544 1.035 -1.993 1.00 0.00 H new ATOM 0 HO2' C A 56 13.524 3.586 -2.054 1.00 0.00 H new ATOM 0 H1' C A 56 10.821 2.959 -0.932 1.00 0.00 H new ATOM 0 H41 C A 56 7.121 -2.460 -1.490 1.00 0.00 H new ATOM 0 H42 C A 56 7.766 -2.492 0.155 1.00 0.00 H new ATOM 0 H5 C A 56 7.773 -0.822 -3.111 1.00 0.00 H new ATOM 0 H6 C A 56 9.150 1.140 -3.552 1.00 0.00 H new ATOM 473 P A A 57 14.767 1.969 -4.652 1.00 0.00 P ATOM 474 OP1 A A 57 15.894 2.837 -5.061 1.00 0.00 O ATOM 475 OP2 A A 57 14.166 1.037 -5.632 1.00 0.00 O ATOM 476 O5' A A 57 15.235 1.113 -3.369 1.00 0.00 O ATOM 477 C5' A A 57 15.833 1.764 -2.244 1.00 0.00 C ATOM 478 C4' A A 57 16.192 0.775 -1.135 1.00 0.00 C ATOM 479 O4' A A 57 14.987 0.240 -0.565 1.00 0.00 O ATOM 480 C3' A A 57 17.033 -0.411 -1.616 1.00 0.00 C ATOM 481 O3' A A 57 18.052 -0.742 -0.666 1.00 0.00 O ATOM 482 C2' A A 57 16.023 -1.535 -1.736 1.00 0.00 C ATOM 483 O2' A A 57 16.628 -2.812 -1.503 1.00 0.00 O ATOM 484 C1' A A 57 15.022 -1.188 -0.652 1.00 0.00 C ATOM 485 N9 A A 57 13.656 -1.674 -0.920 1.00 0.00 N ATOM 486 C8 A A 57 12.912 -1.564 -2.066 1.00 0.00 C ATOM 487 N7 A A 57 11.741 -2.135 -1.991 1.00 0.00 N ATOM 488 C5 A A 57 11.708 -2.659 -0.702 1.00 0.00 C ATOM 489 C6 A A 57 10.737 -3.389 0.003 1.00 0.00 C ATOM 490 N6 A A 57 9.560 -3.732 -0.519 1.00 0.00 N ATOM 491 N1 A A 57 11.030 -3.749 1.264 1.00 0.00 N ATOM 492 C2 A A 57 12.205 -3.406 1.778 1.00 0.00 C ATOM 493 N3 A A 57 13.195 -2.728 1.220 1.00 0.00 N ATOM 494 C4 A A 57 12.871 -2.380 -0.043 1.00 0.00 C ATOM 0 H5' A A 57 15.147 2.515 -1.852 1.00 0.00 H new ATOM 0 H5'' A A 57 16.732 2.291 -2.565 1.00 0.00 H new ATOM 0 H4' A A 57 16.782 1.338 -0.412 1.00 0.00 H new ATOM 0 H3' A A 57 17.557 -0.205 -2.550 1.00 0.00 H new ATOM 0 H2' A A 57 15.579 -1.617 -2.728 1.00 0.00 H new ATOM 0 HO2' A A 57 15.950 -3.515 -1.586 1.00 0.00 H new ATOM 0 HO3' A A 57 18.005 -1.698 -0.455 1.00 0.00 H new ATOM 0 H1' A A 57 15.342 -1.673 0.270 1.00 0.00 H new ATOM 0 H8 A A 57 13.263 -1.052 -2.950 1.00 0.00 H new ATOM 0 H61 A A 57 8.891 -4.263 0.038 1.00 0.00 H new ATOM 0 H62 A A 57 9.329 -3.463 -1.475 1.00 0.00 H new ATOM 0 H2 A A 57 12.377 -3.725 2.795 1.00 0.00 H new TER 507 A A 57